A0A3Q0KMF6_SCHMA Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KMF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 555 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	24.2	Very low	24.8	Very low	153 Å²	153	111.8 Å²	111.8	75%	0.754	59%	0.591	S	S	*	*				0	164.5	0	-85.6	174.5	153.5	0	0	109.2	S3 Y394	M1-S3 VanDerWaalsContact C-N 3.25Å; M1-S3 PolarHBondContact O-N 3.31Å; M1-Y394 WeakPolarHBondContact CA-OH 3.47Å; M1-Y394 HydrophobicContact CG-CE1 4.47Å; M1-Y394 PolarHBondContact N-OH 3.26Å
2	S	27.5	Very low	24.8	Very low	59 Å²	59	112.9 Å²	112.9	41%	0.413	61%	0.609	S	S	.	*			trans	-54.1	104.8	145.2	-178.4	0	0	0	0	105.2	S4	S2-S4 PolarHBondContact O-N 3.16Å; S2-S4 VanDerWaalsContact O-N 3.1Å
3	S	26.1	Very low	24.8	Very low	76 Å²	76	118.8 Å²	118.8	53%	0.531	63%	0.63	S	S	.	*			trans	-63	116.4	172.4	42.8	0	0	0	0	105.9	M1 K5	M1-S3 VanDerWaalsContact C-N 3.25Å; M1-S3 PolarHBondContact O-N 3.31Å; S3-K5 WeakPolarHBondContact O-CG 3.42Å; S3-K5 PolarHBondContact O-N 3.25Å
4	S	22.5	Very low	24.7	Very low	110 Å²	110	122.1 Å²	122.1	77%	0.769	65%	0.649	S	S	*	*			trans	-66.8	87.2	172.6	-64.5	0	0	0	0	107.2	S2 V6	S2-S4 PolarHBondContact O-N 3.16Å; S2-S4 VanDerWaalsContact O-N 3.1Å; S4-V6 PolarHBondContact O-N 3.29Å
5	K	28.3	Very low	24.7	Very low	103 Å²	103	122.3 Å²	122.3	45%	0.448	66%	0.664	S	S	.	*			trans	-70.1	106.4	-174.2	-65.1	-170.6	-178.3	-170.9	0	109.2	S3 L233 D234	S3-K5 WeakPolarHBondContact O-CG 3.42Å; S3-K5 PolarHBondContact O-N 3.25Å; K5-L233 HydrophobicContact CD-CD2 4.47Å; K5-D234 PolarHBondContact NZ-O 3.28Å
6	V	25.5	Very low	24.5	Very low	103 Å²	103	126.8 Å²	126.8	62%	0.624	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.2	169	-179.7	0	0	0	0	108.2	S4 V8	S4-V6 PolarHBondContact O-N 3.29Å; V6-V8 HydrophobicContact CG1-CG2 4.1Å
7	I	25	Very low	24.4	Very low	91 Å²	91	125.7 Å²	125.7	47%	0.467	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-93.1	117.3	166.7	-64.5	169.8	0	0	0	106.2	I9 L233	I7-I9 HydrophobicContact CG2-CD1 4.5Å; I7-I9 HydrophobicContact CG2-CG1 4.12Å; I7-L233 HydrophobicContact CD1-CD1 4.16Å; I7-L233 HydrophobicContact CG1-CD1 3.99Å
8	V	24.5	Very low	24.3	Very low	84 Å²	84	129.3 Å²	129.3	51%	0.509	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-97	126.5	174.5	179.7	0	0	0	0	107.9	V6 E10	V6-V8 HydrophobicContact CG1-CG2 4.1Å; V8-E10 HydrophobicContact CG1-CG 3.8Å
9	I	22.2	Very low	24.2	Very low	95 Å²	95	130.7 Å²	130.7	49%	0.487	70%	0.696	S	S	.	*			trans	-122.6	102	170.3	-55.9	177.1	0	0	0	105.9	I7 T256	I7-I9 HydrophobicContact CG2-CD1 4.5Å; I7-I9 HydrophobicContact CG2-CG1 4.12Å; I9-T256 HydrophobicContact CB-CG2 4.38Å
10	E	23.1	Very low	24.5	Very low	169 Å²	169	132.1 Å²	132.1	79%	0.79	70%	0.698	S	S	*	*			trans	-89.2	144	-179	-85.5	164.8	-169.2	0	0	111.8	V8	V8-E10 HydrophobicContact CG1-CG 3.8Å
11	R	24.3	Very low	24.7	Very low	187 Å²	187	132.4 Å²	132.4	71%	0.706	70%	0.7	S	S	*	*			trans	-115.4	152.7	160.6	-100.2	-176.7	171.6	166.8	-1.9	108	D254	R11-D254 IonicContact CZ-OD1 3.48Å; R11-D254 IonicContact NH1-OD1 3.15Å; R11-D254 PolarHBondContact NH1-OD1 2.95Å; R11-D254 IonicContact NH2-OD1 2.67Å; R11-D254 PolarHBondContact NH2-OD1 3.24Å
12	P	24.9	Very low	24.9	Very low	125 Å²	125	134.8 Å²	134.8	81%	0.812	71%	0.709	S	S	*	*			trans	-64.8	143	-169	-21.1	33.4	0	0	0	113.7	N14	P12-N14 PolarHBondContact O-N 3.33Å
13	E	24.1	Very low	25.5	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	71%	0.713	S	S	*	*			trans	-58.6	130.6	177.6	-57.6	-179.1	145.1	0	0	112.1
14	N	23	Very low	26.4	Very low	166 Å²	166	136.8 Å²	136.8	89%	0.888	72%	0.715	S	S	*	*			trans	-169.1	83	160	-102.3	-44.1	0	0	0	112.2	P12	P12-N14 PolarHBondContact O-N 3.33Å
15	S	24.8	Very low	28	Very low	125 Å²	125	136 Å²	136	87%	0.874	70%	0.702	S	S	*	*			trans	-154.7	136.6	154.9	57.7	0	0	0	0	111.1
16	K	22.2	Very low	29.9	Very low	193 Å²	193	135.1 Å²	135.1	84%	0.839	71%	0.705	S	S	*	*			trans	-87.8	155.6	-165	-66.6	177.5	177.5	176.7	0	113.3
17	S	22.7	Very low	32.4	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	69%	0.687	S	S	*	*			trans	-39.7	140.1	170.5	53.2	0	0	0	0	116.1
18	F	23.6	Very low	34.9	Very low	190 Å²	190	128.6 Å²	128.6	83%	0.833	68%	0.675	S	S	*	*			trans	-121.1	132.2	156.3	-93	-92.2	0	0	0	109.6
19	N	22.3	Very low	37.7	Very low	157 Å²	157	128.1 Å²	128.1	84%	0.84	67%	0.668	S	S	*	*			trans	-77.3	136.9	171.6	-72.1	-20.3	0	0	0	109.7
20	H	29.4	Very low	40.6	Very low	158 Å²	158	124.5 Å²	124.5	73%	0.731	65%	0.651	S	S	*	*			trans	-126	142.9	166.5	-90.2	-63	0	0	0	109.7
21	D	28	Very low	43.7	Very low	138 Å²	138	122.4 Å²	122.4	74%	0.738	64%	0.639	S	S	*	*			trans	-64.9	161	-164.9	-53	-76.8	0	0	0	115.1	I23	D21-I23 VanDerWaalsContact C-N 3.29Å; D21-I23 PolarHBondContact O-N 3.19Å
22	E	29.8	Very low	46.9	Very low	204 Å²	204	113.6 Å²	113.6	95%	0.953	61%	0.606	S	S	*	*			trans	-64.7	71.9	-175.6	-60.7	-179.2	132.5	0	0	113.9	S24	E22-S24 PolarHBondContact O-N 3.19Å
23	I	39.7	Very low	49.9	Very low	96 Å²	96	112.5 Å²	112.5	49%	0.492	59%	0.59	S	S	.	*			trans	-67.3	125.9	160.9	-48.7	174.4	0	0	0	107.4	D21 N25 F109	D21-I23 VanDerWaalsContact C-N 3.29Å; D21-I23 PolarHBondContact O-N 3.19Å; I23-N25 PolarHBondContact O-N 3.26Å; I23-F109 HydrophobicContact CD1-CD1 4.42Å; I23-F109 HydrophobicContact CD1-CE1 3.39Å; I23-F109 HydrophobicContact CD1-CZ 3.76Å; I23-F109 HydrophobicContact CG1-CE1 3.82Å; I23-F109 HydrophobicContact CG1-CZ 4.48Å
24	S	44	Very low	52.9	Low	80 Å²	80	107.6 Å²	107.6	56%	0.559	57%	0.569	S	S	*	*			trans	-49.9	125.4	174.7	58.5	0	0	0	0	110.6	E22 T26	E22-S24 PolarHBondContact O-N 3.19Å; S24-T26 PolarHBondContact O-N 3.27Å; S24-T26 PolarHBondContact O-OG1 3.44Å; S24-T26 VanDerWaalsContact O-OG1 3.08Å; S24-T26 PolarHBondContact OG-OG1 3.25Å; S24-T26 VanDerWaalsContact OG-OG1 3.1Å
25	N	57.3	Low	56	Low	94 Å²	94	100 Å²	100	50%	0.503	53%	0.528	S	S	.	.			trans	-75.1	62.8	-174.9	-164.5	17.4	0	0	0	111.6	I23 L151	I23-N25 PolarHBondContact O-N 3.26Å; N25-L151 VanDerWaalsContact ND2-C 3.3Å; N25-L151 PolarHBondContact ND2-O 3.21Å; N25-L151 PolarHBondContact OD1-O 2.93Å
26	T	68.1	Low	58.9	Low	85 Å²	85	94.3 Å²	94.3	52%	0.521	49%	0.488	S	S	.	.			trans	-123.6	137.2	-167.2	51.5	0	0	0	0	110.3	S24 G28	S24-T26 PolarHBondContact O-N 3.27Å; S24-T26 PolarHBondContact O-OG1 3.44Å; S24-T26 VanDerWaalsContact O-OG1 3.08Å; S24-T26 PolarHBondContact OG-OG1 3.25Å; S24-T26 VanDerWaalsContact OG-OG1 3.1Å; T26-G28 PolarHBondContact O-N 3.38Å
27	C	77.4	Confident	61.9	Low	35 Å²	35	88.7 Å²	88.7	24%	0.236	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-61.4	123.5	174.2	-169.9	0	0	0	0	110.5	I147 L151 V157 M159	C27-I147 HydrophobicContact CB-CG2 3.64Å; C27-L151 HydrophobicContact CB-CD1 4.23Å; C27-V157 WeakPolarHBondContact CA-O 3.27Å; C27-M159 PolarHBondContact SG-N 3.13Å
28	G	79	Confident	64.6	Low	22 Å²	22	89.1 Å²	89.1	23%	0.227	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	156	174.6	0	0	0	0	0	111.7	T26 V157 Y158 M159	T26-G28 PolarHBondContact O-N 3.38Å; G28-V157 PolarHBondContact N-O 3.43Å; G28-Y158 CarbonylContact O-C 3.45Å; G28-Y158 WeakPolarHBondContact O-CA 3.43Å; G28-M159 PolarHBondContact O-N 3.02Å
29	M	81.8	Confident	67.4	Low	73 Å²	73	80.5 Å²	80.5	36%	0.36	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.8	168.6	-65.7	-58	-60.4	0	0	110.3	F129 M159 D161	M29-F129 HydrophobicContact CE-CD2 4.21Å; M29-F129 HydrophobicContact CG-CD2 4.15Å; M29-F129 HydrophobicContact CG-CE2 3.74Å; M29-F129 HydrophobicContact SD-CD2 3.95Å; M29-F129 HydrophobicContact SD-CE2 4Å; M29-M159 HydrophobicContact CE-CB 4.44Å; M29-M159 HydrophobicContact CE-CG 4.45Å; M29-M159 HydrophobicContact SD-CB 3.96Å; M29-M159 HydrophobicContact SD-CG 4.42Å; M29-D161 HydrophobicContact CE-CB 3.85Å
30	V	84.3	Confident	70.4	Confident	19 Å²	19	77 Å²	77	12%	0.115	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.2	175.5	64.8	0	0	0	0	111	I34 I35 V121 M159 I160 D161	V30-I34 HydrophobicContact CG2-CB 4.08Å; V30-I34 HydrophobicContact CG2-CD1 4.26Å; V30-I34 HydrophobicContact CG2-CG2 4.21Å; V30-I35 HydrophobicContact CG1-CD1 3.98Å; V30-I35 HydrophobicContact CG1-CG1 4.19Å; V30-I35 HydrophobicContact CG2-CD1 3.85Å; V30-I35 HydrophobicContact CG2-CG1 4.25Å; V30-V121 HydrophobicContact CG1-CG1 4.28Å; V30-M159 PolarHBondContact N-O 2.85Å; V30-I160 HydrophobicContact CG1-CG1 4.24Å; V30-I160 WeakPolarHBondContact O-CA 3.42Å; V30-D161 PolarHBondContact O-N 3.34Å
31	K	87.3	Confident	72.7	Confident	125 Å²	125	76 Å²	76	54%	0.543	39%	0.389	S	S	.	.			trans	-68.3	140	176	-73.4	-163.8	175.7	-168.9	0	111.4	E33 I34	K31-E33 WeakPolarHBondContact CB-OE2 3.41Å; K31-E33 PolarHBondContact O-N 3.18Å; K31-I34 HydrophobicContact CB-CD1 4.05Å; K31-I34 HydrophobicContact CB-CG1 4.22Å; K31-I34 WeakPolarHBondContact O-CB 3.38Å; K31-I34 PolarHBondContact O-N 3.22Å; K31-I34 VanDerWaalsContact O-N 3.07Å
32	S	91.4	Very high	75	Confident	3 Å²	3	70 Å²	70	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-55.5	-35.5	-178	-74.7	0	0	0	0	113	I34 I35 L36 I160 D161 F167	S32-I34 VanDerWaalsContact C-N 3.27Å; S32-I34 PolarHBondContact O-N 2.9Å; S32-I35 PolarHBondContact O-N 2.87Å; S32-L36 PolarHBondContact O-N 3.18Å; S32-I160 WeakPolarHBondContact OG-CG2 3.27Å; S32-D161 PolarHBondContact OG-O 3.19Å; S32-F167 PolarHBondContact OG-N 2.91Å
33	E	88.6	Confident	77.2	Confident	102 Å²	102	65.6 Å²	65.6	48%	0.477	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-34.4	-179.8	-62.1	85.9	160.4	0	0	112.1	K31 S37 L170	K31-E33 WeakPolarHBondContact CB-OE2 3.41Å; K31-E33 PolarHBondContact O-N 3.18Å; E33-S37 VanDerWaalsContact O-CB 3.25Å; E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 2.95Å; E33-L170 HydrophobicContact CB-CD1 4.37Å; E33-L170 HydrophobicContact CG-CD1 3.93Å; E33-L170 HydrophobicContact CG-CD2 3.74Å
34	I	86.4	Confident	79	Confident	86 Å²	86	67.6 Å²	67.6	44%	0.441	34%	0.344	S	S	.	.	H	α-helix	trans	-70	-41.1	179.4	-58.4	173.4	0	0	0	109.9	V30 K31 S32 R38	V30-I34 HydrophobicContact CG2-CB 4.08Å; V30-I34 HydrophobicContact CG2-CD1 4.26Å; V30-I34 HydrophobicContact CG2-CG2 4.21Å; K31-I34 HydrophobicContact CB-CD1 4.05Å; K31-I34 HydrophobicContact CB-CG1 4.22Å; K31-I34 WeakPolarHBondContact O-CB 3.38Å; K31-I34 PolarHBondContact O-N 3.22Å; K31-I34 VanDerWaalsContact O-N 3.07Å; S32-I34 VanDerWaalsContact C-N 3.27Å; S32-I34 PolarHBondContact O-N 2.9Å; I34-R38 PolarHBondContact O-N 3.46Å; I34-R38 VanDerWaalsContact O-N 3.11Å
35	I	87.2	Confident	80.6	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-47.1	176.2	-55.4	-54	0	0	0	110.1	V30 S32 S37 R38 L39 L51 I53 V121 I160 F167	V30-I35 HydrophobicContact CG1-CD1 3.98Å; V30-I35 HydrophobicContact CG1-CG1 4.19Å; V30-I35 HydrophobicContact CG2-CD1 3.85Å; V30-I35 HydrophobicContact CG2-CG1 4.25Å; S32-I35 PolarHBondContact O-N 2.87Å; I35-S37 PolarHBondContact O-N 3.34Å; I35-R38 PolarHBondContact O-N 3.03Å; I35-L39 HydrophobicContact CG2-CD1 4.07Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.25Å; I35-L51 HydrophobicContact CD1-CD1 4.25Å; I35-L51 HydrophobicContact CG2-CD1 4.34Å; I35-I53 HydrophobicContact CG2-CD1 4.26Å; I35-V121 HydrophobicContact CD1-CG1 3.85Å; I35-V121 HydrophobicContact CD1-CG2 3.91Å; I35-V121 HydrophobicContact CG1-CG1 4.21Å; I35-I160 HydrophobicContact CG1-CD1 4.22Å; I35-I160 HydrophobicContact CG1-CG1 4.34Å; I35-F167 HydrophobicContact CB-CD2 4.5Å; I35-F167 HydrophobicContact CB-CE2 4.17Å; I35-F167 HydrophobicContact CG2-CE2 3.95Å
36	L	87.7	Confident	81.4	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-44.2	177.9	-177.8	59.8	0	0	0	111.9	S32 R38 L39 R40 F167 L170 P171 A173 F176	S32-L36 PolarHBondContact O-N 3.18Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.09Å; L36-L39 PolarHBondContact O-N 2.98Å; L36-R40 WeakPolarHBondContact O-CB 3.1Å; L36-R40 VanDerWaalsContact O-CG 3.3Å; L36-R40 WeakPolarHBondContact O-CG 3.23Å; L36-R40 PolarHBondContact O-N 3.15Å; L36-F167 HydrophobicContact CB-CE2 3.91Å; L36-F167 HydrophobicContact CB-CZ 4.33Å; L36-F167 HydrophobicContact CD1-CE2 4.49Å; L36-F167 HydrophobicContact CD1-CZ 4.04Å; L36-L170 HydrophobicContact CB-CD1 4.25Å; L36-L170 HydrophobicContact CD2-CB 3.9Å; L36-L170 HydrophobicContact CD2-CD1 3.87Å; L36-P171 WeakPolarHBondContact CD2-O 3.37Å; L36-A173 HydrophobicContact CD1-CB 4.48Å; L36-A173 HydrophobicContact CD2-CB 4.3Å; L36-F176 HydrophobicContact CD1-CB 4.02Å; L36-F176 HydrophobicContact CD1-CD2 3.44Å; L36-F176 VanDerWaalsContact CD1-CD2 3.44Å; L36-F176 HydrophobicContact CD1-CE2 4.12Å; L36-F176 HydrophobicContact CD1-CG 3.81Å
37	S	84.3	Confident	81.5	Confident	74 Å²	74	70.8 Å²	70.8	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-59.1	-41.6	175.9	179.7	0	0	0	0	112.6	E33 I35 K41	E33-S37 VanDerWaalsContact O-CB 3.25Å; E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 2.95Å; I35-S37 PolarHBondContact O-N 3.34Å; S37-K41 PolarHBondContact O-N 3.26Å; S37-K41 VanDerWaalsContact O-N 3.09Å
38	R	79	Confident	80.7	Confident	119 Å²	119	74.1 Å²	74.1	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-68.5	-42.1	176	-76	-163.3	171.5	170.6	-4.4	113.2	I34 I35 L36 R40 K41 A42 L51 S114	I34-R38 PolarHBondContact O-N 3.46Å; I34-R38 VanDerWaalsContact O-N 3.11Å; I35-R38 PolarHBondContact O-N 3.03Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.09Å; R38-R40 VanDerWaalsContact C-N 3.33Å; R38-R40 PolarHBondContact O-N 3.35Å; R38-K41 PolarHBondContact O-N 3.48Å; R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 2.85Å; R38-L51 HydrophobicContact CB-CD1 4.31Å; R38-S114 PolarHBondContact NH2-OG 3.08Å
39	L	83.5	Confident	80.2	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-39	176.6	-69.4	172.8	0	0	0	111.8	I35 L36 A42 K43 I53 I67 F167 F176	I35-L39 HydrophobicContact CG2-CD1 4.07Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 2.98Å; L39-A42 PolarHBondContact O-N 3.33Å; L39-K43 WeakPolarHBondContact O-CB 3.45Å; L39-K43 PolarHBondContact O-N 3.26Å; L39-I53 HydrophobicContact CD1-CD1 4.16Å; L39-I53 HydrophobicContact CD2-CD1 4.07Å; L39-I53 HydrophobicContact CG-CD1 4.49Å; L39-I67 HydrophobicContact CD1-CG2 3.63Å; L39-F167 HydrophobicContact CD1-CE2 4.45Å; L39-F167 HydrophobicContact CD1-CZ 4.08Å; L39-F176 HydrophobicContact CB-CD1 3.62Å; L39-F176 HydrophobicContact CB-CE1 3.95Å; L39-F176 HydrophobicContact CB-CG 4.4Å; L39-F176 HydrophobicContact CD1-CB 4.46Å; L39-F176 WeakPolarHBondContact O-CE1 3.47Å
40	R	83.6	Confident	79.3	Confident	85 Å²	85	74 Å²	74	32%	0.321	37%	0.369	S	S	.	.	H	α-helix	trans	-57.1	-57.2	172.1	-77.6	175.2	129.3	158.4	-6.6	111.9	L36 R38 A42 K43 E44 D172 F176	L36-R40 WeakPolarHBondContact O-CB 3.1Å; L36-R40 VanDerWaalsContact O-CG 3.3Å; L36-R40 WeakPolarHBondContact O-CG 3.23Å; L36-R40 PolarHBondContact O-N 3.15Å; R38-R40 VanDerWaalsContact C-N 3.33Å; R38-R40 PolarHBondContact O-N 3.35Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 3.41Å; R40-K43 WeakPolarHBondContact O-CB 3.26Å; R40-K43 PolarHBondContact O-N 3.49Å; R40-K43 VanDerWaalsContact O-N 3.08Å; R40-E44 WeakPolarHBondContact O-CG 3.23Å; R40-E44 PolarHBondContact O-N 3.2Å; R40-D172 IonicContact CZ-OD2 3.65Å; R40-D172 IonicContact NH1-OD2 2.68Å; R40-D172 PolarHBondContact NH1-OD2 3Å; R40-D172 IonicContact NH2-OD2 3.32Å; R40-D172 PolarHBondContact NH2-OD2 3.22Å; R40-F176 HydrophobicContact CB-CZ 4.12Å; R40-F176 HydrophobicContact CG-CD2 4.43Å; R40-F176 HydrophobicContact CG-CE1 4.23Å; R40-F176 HydrophobicContact CG-CE2 3.51Å; R40-F176 HydrophobicContact CG-CZ 3.39Å
41	K	78.9	Confident	78.7	Confident	136 Å²	136	73.9 Å²	73.9	59%	0.591	37%	0.368	S	S	*	.	H	α-helix	trans	-59.2	-36.7	179.9	-173	170.2	-176.5	173.3	0	112.9	S37 R38 L45	S37-K41 PolarHBondContact O-N 3.26Å; S37-K41 VanDerWaalsContact O-N 3.09Å; R38-K41 PolarHBondContact O-N 3.48Å; K41-L45 HydrophobicContact CD-CD1 4.45Å; K41-L45 HydrophobicContact CG-CD1 3.77Å; K41-L45 HydrophobicContact CG-CG 4.35Å; K41-L45 WeakPolarHBondContact O-CB 3.41Å; K41-L45 VanDerWaalsContact O-CG 3.29Å; K41-L45 WeakPolarHBondContact O-CG 3.45Å; K41-L45 PolarHBondContact O-N 3.24Å
42	A	76.8	Confident	78.2	Confident	13 Å²	13	69.1 Å²	69.1	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-45.7	174.7	0	0	0	0	0	112.1	R38 L39 R40 S46 L47	R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 2.85Å; L39-A42 PolarHBondContact O-N 3.33Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 3.41Å; A42-S46 WeakPolarHBondContact O-CA 3.34Å; A42-S46 PolarHBondContact O-N 2.94Å; A42-L47 PolarHBondContact O-N 2.84Å
43	K	75.4	Confident	77.9	Confident	110 Å²	110	69 Å²	69	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.6	-172.9	179.1	179.8	-177.1	0	111.9	L39 R40 S46 D175 F176	L39-K43 WeakPolarHBondContact O-CB 3.45Å; L39-K43 PolarHBondContact O-N 3.26Å; R40-K43 WeakPolarHBondContact O-CB 3.26Å; R40-K43 PolarHBondContact O-N 3.49Å; R40-K43 VanDerWaalsContact O-N 3.08Å; K43-S46 PolarHBondContact O-N 3.35Å; K43-D175 PolarHBondContact NZ-O 3.22Å; K43-D175 IonicContact NZ-OD2 3.17Å; K43-F176 HydrophobicContact CB-CE1 4.04Å; K43-F176 HydrophobicContact CB-CZ 4.45Å; K43-F176 HydrophobicContact CD-CD1 4.49Å; K43-F176 HydrophobicContact CD-CE1 3.5Å; K43-F176 HydrophobicContact CD-CZ 3.59Å; K43-F176 HydrophobicContact CG-CE1 4.43Å
44	E	76.3	Confident	77.8	Confident	139 Å²	139	64.2 Å²	64.2	65%	0.65	33%	0.325	S	S	*	.	H	α-helix	trans	-62	-48	177.1	-73.1	161.6	-164.3	0	0	112.3	R40 S46	R40-E44 WeakPolarHBondContact O-CG 3.23Å; R40-E44 PolarHBondContact O-N 3.2Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.98Å
45	L	79.5	Confident	77.8	Confident	99 Å²	99	60.1 Å²	60.1	52%	0.518	30%	0.304	S	S	.	.	H	α-helix	trans	-82.3	-1.8	-178.8	-61	177.2	0	0	0	113.6	K41 L47	K41-L45 HydrophobicContact CD-CD1 4.45Å; K41-L45 HydrophobicContact CG-CD1 3.77Å; K41-L45 HydrophobicContact CG-CG 4.35Å; K41-L45 WeakPolarHBondContact O-CB 3.41Å; K41-L45 VanDerWaalsContact O-CG 3.29Å; K41-L45 WeakPolarHBondContact O-CG 3.45Å; K41-L45 PolarHBondContact O-N 3.24Å; L45-L47 HydrophobicContact CB-CB 4.38Å; L45-L47 HydrophobicContact CB-CD1 3.81Å; L45-L47 HydrophobicContact CB-CG 3.83Å; L45-L47 HydrophobicContact CD1-CD1 4.02Å; L45-L47 PolarHBondContact O-N 3.04Å
46	S	73.5	Confident	77.8	Confident	113 Å²	113	59.9 Å²	59.9	79%	0.79	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.4	-171.1	-60.6	0	0	0	0	113.7	A42 K43 E44	A42-S46 WeakPolarHBondContact O-CA 3.34Å; A42-S46 PolarHBondContact O-N 2.94Å; K43-S46 PolarHBondContact O-N 3.35Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.98Å
47	L	69.9	Low	77.6	Confident	113 Å²	113	60 Å²	60	59%	0.592	30%	0.303	S	S	*	.			trans	-102.3	165.8	178.7	-66.5	177.3	0	0	0	111.3	A42 L45	A42-L47 PolarHBondContact O-N 2.84Å; L45-L47 HydrophobicContact CB-CB 4.38Å; L45-L47 HydrophobicContact CB-CD1 3.81Å; L45-L47 HydrophobicContact CB-CG 3.83Å; L45-L47 HydrophobicContact CD1-CD1 4.02Å; L45-L47 PolarHBondContact O-N 3.04Å
48	D	60.5	Low	77.5	Confident	105 Å²	105	60.2 Å²	60.2	56%	0.561	30%	0.296	S	S	*	.			trans	-67.2	141.4	165.5	-173.4	1.6	0	0	0	109.8	H50	D48-H50 PolarHBondContact O-CD2 2.75Å; D48-H50 PolarHBondContact OD1-N 3.4Å; D48-H50 IonicContact OD2-CG 2.64Å; D48-H50 IonicContact OD2-ND1 2.64Å; D48-H50 PolarHBondContact OD2-ND1 2.99Å
49	S	67.8	Low	77.3	Confident	22 Å²	22	56 Å²	56	15%	0.154	28%	0.284	C	S	.	.			trans	-71.3	-25.3	170.6	74.4	0	0	0	0	111.6	L51	S49-L51 PolarHBondContact O-N 3.27Å; S49-L51 PolarHBondContact OG-N 3.4Å
50	H	62.7	Low	76.9	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.329	32%	0.317	S	S	.	.			trans	55	27.1	-175.2	-50.9	-94.5	0	0	0	114.5	D48 K117	D48-H50 PolarHBondContact O-CD2 2.75Å; D48-H50 PolarHBondContact OD1-N 3.4Å; D48-H50 IonicContact OD2-CG 2.64Å; D48-H50 IonicContact OD2-ND1 2.64Å; D48-H50 PolarHBondContact OD2-ND1 2.99Å; H50-K117 HydrophobicContact CB-CD 3.5Å; H50-K117 VanDerWaalsContact CB-CD 3.5Å; H50-K117 HydrophobicContact CB-CG 3.91Å; H50-K117 PolarHBondContact CD2-NZ 3.2Å; H50-K117 VanDerWaalsContact CG-NZ 3.26Å; H50-K117 PolarHBondContact NE2-NZ 3.33Å
51	L	71.7	Confident	76.8	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.089	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.9	167.8	-59.9	176.4	0	0	0	107.7	I35 R38 S49 I53 V121	I35-L51 HydrophobicContact CD1-CD1 4.25Å; I35-L51 HydrophobicContact CG2-CD1 4.34Å; R38-L51 HydrophobicContact CB-CD1 4.31Å; S49-L51 PolarHBondContact O-N 3.27Å; S49-L51 PolarHBondContact OG-N 3.4Å; L51-I53 HydrophobicContact CB-CD1 4.28Å; L51-I53 HydrophobicContact CB-CG1 3.76Å; L51-I53 HydrophobicContact CD1-CD1 4.39Å; L51-I53 PolarHBondContact O-N 2.86Å; L51-V121 HydrophobicContact CB-CG2 4.49Å; L51-V121 HydrophobicContact CD2-CG2 4.08Å
52	I	77.6	Confident	76.9	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.128	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	100	161.8	-61.2	169.8	0	0	0	106.5	V54 W88 W91 P118 A119 I120 V121	I52-V54 HydrophobicContact CG2-CG2 3.93Å; I52-W88 HydrophobicContact CB-CH2 4.5Å; I52-W88 HydrophobicContact CD1-CH2 4.31Å; I52-W88 HydrophobicContact CG2-CH2 3.67Å; I52-W88 HydrophobicContact CG2-CZ3 4.01Å; I52-W91 HydrophobicContact CB-CH2 4.47Å; I52-W91 HydrophobicContact CD1-CH2 3.73Å; I52-W91 HydrophobicContact CD1-CZ3 4.06Å; I52-W91 HydrophobicContact CG1-CH2 3.97Å; I52-W91 HydrophobicContact CG2-CH2 3.64Å; I52-W91 HydrophobicContact CG2-CZ3 3.87Å; I52-P118 HydrophobicContact CD1-CB 3.56Å; I52-P118 HydrophobicContact CD1-CG 3.34Å; I52-P118 HydrophobicContact CG1-CB 3.78Å; I52-P118 HydrophobicContact CG1-CG 4.15Å; I52-A119 PolarHBondContact N-O 3.24Å; I52-I120 CarbonylContact O-C 3.54Å; I52-I120 WeakPolarHBondContact O-CA 3.19Å; I52-V121 PolarHBondContact O-N 3.35Å
53	I	85.5	Confident	76.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.9	177.6	-52.8	-178.5	0	0	0	108.7	I35 L39 L51 I67 A70 R71 V121 Y123	I35-I53 HydrophobicContact CG2-CD1 4.26Å; L39-I53 HydrophobicContact CD1-CD1 4.16Å; L39-I53 HydrophobicContact CD2-CD1 4.07Å; L39-I53 HydrophobicContact CG-CD1 4.49Å; L51-I53 HydrophobicContact CB-CD1 4.28Å; L51-I53 HydrophobicContact CB-CG1 3.76Å; L51-I53 HydrophobicContact CD1-CD1 4.39Å; L51-I53 PolarHBondContact O-N 2.86Å; I53-I67 HydrophobicContact CD1-CG2 3.94Å; I53-I67 HydrophobicContact CG2-CB 4.33Å; I53-I67 HydrophobicContact CG2-CG2 4.43Å; I53-A70 HydrophobicContact CB-CB 4.05Å; I53-A70 HydrophobicContact CG2-CB 3.6Å; I53-A70 CarbonylContact O-C 3.52Å; I53-A70 VanDerWaalsContact O-CA 3.3Å; I53-A70 WeakPolarHBondContact O-CA 3.49Å; I53-R71 PolarHBondContact O-N 3.33Å; I53-V121 CarbonylContact C-O 3.31Å; I53-V121 WeakPolarHBondContact CA-O 3.4Å; I53-V121 HydrophobicContact CG1-CB 4.46Å; I53-Y123 HydrophobicContact CG2-CD1 4.04Å; I53-Y123 HydrophobicContact CG2-CE1 3.61Å
54	V	86.9	Confident	76.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.7	-176.3	-170.1	0	0	0	0	110.3	I52 A73 W88 I120 V121 V122 Y123 F146	I52-V54 HydrophobicContact CG2-CG2 3.93Å; V54-A73 HydrophobicContact CG1-CB 3.56Å; V54-W88 HydrophobicContact CG2-CH2 4.17Å; V54-W88 HydrophobicContact CG2-CZ3 3.64Å; V54-I120 HydrophobicContact CG2-CG2 3.67Å; V54-V121 PolarHBondContact N-O 3.21Å; V54-V122 HydrophobicContact CB-CG1 4.24Å; V54-V122 WeakPolarHBondContact O-CA 3.3Å; V54-Y123 PolarHBondContact O-N 2.89Å; V54-Y123 VanDerWaalsContact O-N 3.07Å; V54-F146 HydrophobicContact CG1-CE1 3.82Å; V54-F146 HydrophobicContact CG1-CZ 4.03Å
55	D	86	Confident	77.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.6	174.8	-168.5	-23	0	0	0	109.6	R57 Y62 R71 A73 Y123	D55-R57 WeakPolarHBondContact OD1-CB 3.34Å; D55-R57 WeakPolarHBondContact OD1-CG 3.34Å; D55-R57 IonicContact OD1-CZ 3.88Å; D55-R57 PolarHBondContact OD1-N 3.09Å; D55-R57 IonicContact OD1-NE 3.71Å; D55-R57 PolarHBondContact OD1-NE 3.09Å; D55-R57 IonicContact OD1-NH2 3.23Å; D55-R57 IonicContact OD2-CZ 3.45Å; D55-R57 IonicContact OD2-NE 2.72Å; D55-R57 PolarHBondContact OD2-NE 2.98Å; D55-R57 VanDerWaalsContact OD2-NE 3.15Å; D55-R57 IonicContact OD2-NH2 3.59Å; D55-R57 PolarHBondContact OD2-NH2 3.09Å; D55-Y62 HydrophobicContact CB-CD2 3.67Å; D55-Y62 HydrophobicContact CB-CE2 4.04Å; D55-Y62 VanDerWaalsContact OD2-CD2 3.24Å; D55-Y62 WeakPolarHBondContact OD2-CD2 3.36Å; D55-R71 PolarHBondContact N-O 3.44Å; D55-A73 PolarHBondContact O-N 3.12Å; D55-Y123 HydrophobicContact CB-CE1 4.12Å; D55-Y123 HydrophobicContact CB-CE2 3.96Å; D55-Y123 WeakPolarHBondContact CB-OH 3.21Å; D55-Y123 VanDerWaalsContact CG-CE2 3.41Å; D55-Y123 WeakPolarHBondContact OD2-CE2 3.36Å; D55-Y123 PolarHBondContact OD2-OH 2.99Å; D55-Y123 VanDerWaalsContact OD2-OH 3.09Å
56	M	87	Confident	77.3	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.253	C	S	.	.			trans	-87.1	-6.6	-178.6	-60.5	-171.2	-67.6	0	0	113.3	C75 Y76 V122 Y123 D124 E143 F146 I147 M159	M56-C75 VanDerWaalsContact CA-SG 3.53Å; M56-C75 WeakPolarHBondContact CB-SG 3.5Å; M56-C75 VanDerWaalsContact CG-SG 3.59Å; M56-C75 CarbonylContact O-C 3.32Å; M56-C75 PolarHBondContact O-N 3.39Å; M56-Y76 PolarHBondContact O-N 2.9Å; M56-V122 HydrophobicContact CE-CB 3.89Å; M56-V122 HydrophobicContact CE-CG2 3.91Å; M56-V122 HydrophobicContact CG-CB 4.32Å; M56-V122 HydrophobicContact SD-CB 3.88Å; M56-V122 HydrophobicContact SD-CG1 4.42Å; M56-V122 HydrophobicContact SD-CG2 4.25Å; M56-Y123 WeakPolarHBondContact CB-O 3.21Å; M56-Y123 PolarHBondContact N-O 3.34Å; M56-D124 HydrophobicContact CE-CB 4.32Å; M56-E143 HydrophobicContact CB-CG 4.24Å; M56-E143 HydrophobicContact CE-CB 3.83Å; M56-E143 HydrophobicContact CE-CG 3.99Å; M56-E143 HydrophobicContact SD-CB 3.81Å; M56-E143 HydrophobicContact SD-CG 4.17Å; M56-F146 HydrophobicContact CG-CD1 4.38Å; M56-F146 HydrophobicContact SD-CD1 4.15Å; M56-I147 HydrophobicContact CE-CD1 4.09Å; M56-I147 HydrophobicContact SD-CD1 4.11Å; M56-I147 HydrophobicContact SD-CG1 4.1Å; M56-M159 HydrophobicContact CE-CE 4.35Å
57	R	84.4	Confident	77.9	Confident	8 Å²	8	43.3 Å²	43.3	3%	0.03	22%	0.216	C	C	.	.	S	Bend	trans	-74.7	169.7	-172.3	-55.2	175.8	-63.3	158	-1.7	112.4	D55 L61 G65 N74 Q125	D55-R57 WeakPolarHBondContact OD1-CB 3.34Å; D55-R57 WeakPolarHBondContact OD1-CG 3.34Å; D55-R57 IonicContact OD1-CZ 3.88Å; D55-R57 PolarHBondContact OD1-N 3.09Å; D55-R57 IonicContact OD1-NE 3.71Å; D55-R57 PolarHBondContact OD1-NE 3.09Å; D55-R57 IonicContact OD1-NH2 3.23Å; D55-R57 IonicContact OD2-CZ 3.45Å; D55-R57 IonicContact OD2-NE 2.72Å; D55-R57 PolarHBondContact OD2-NE 2.98Å; D55-R57 VanDerWaalsContact OD2-NE 3.15Å; D55-R57 IonicContact OD2-NH2 3.59Å; D55-R57 PolarHBondContact OD2-NH2 3.09Å; R57-L61 HydrophobicContact CB-CB 4Å; R57-L61 HydrophobicContact CB-CD1 4.18Å; R57-L61 PolarHBondContact NH1-O 3.05Å; R57-L61 PolarHBondContact NH2-O 2.9Å; R57-G65 PolarHBondContact NH2-O 2.98Å; R57-N74 WeakPolarHBondContact O-CA 3.42Å; R57-Q125 HydrophobicContact CG-CB 4.39Å
58	E	81.3	Confident	78.4	Confident	79 Å²	79	40.5 Å²	40.5	37%	0.369	20%	0.201	S	C	.	.			trans	-54.1	143.6	167.9	-73.1	179.9	-132.8	0	0	112.7	R60 L61 Y62 Y76	E58-R60 PolarHBondContact O-N 2.65Å; E58-R60 VanDerWaalsContact O-N 3.07Å; E58-L61 HydrophobicContact CB-CD1 4.38Å; E58-L61 HydrophobicContact CB-CG 4.37Å; E58-L61 WeakPolarHBondContact O-CA 3.41Å; E58-L61 WeakPolarHBondContact O-CB 3.49Å; E58-L61 PolarHBondContact O-N 3.35Å; E58-Y62 PolarHBondContact O-N 2.87Å; E58-Y76 HydrophobicContact CB-CD1 4.24Å; E58-Y76 HydrophobicContact CB-CE1 4.49Å; E58-Y76 HydrophobicContact CB-CG 4.4Å; E58-Y76 HydrophobicContact CG-CD1 3.65Å; E58-Y76 HydrophobicContact CG-CD2 3.46Å; E58-Y76 VanDerWaalsContact CG-CD2 3.46Å; E58-Y76 HydrophobicContact CG-CE1 3.96Å; E58-Y76 HydrophobicContact CG-CE2 3.76Å; E58-Y76 HydrophobicContact CG-CG 3.41Å; E58-Y76 VanDerWaalsContact CG-CG 3.41Å
59	T	75.2	Confident	79	Confident	32 Å²	32	39.7 Å²	39.7	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-46.5	-40	173.8	-65.3	0	0	0	0	113	L61 Y62 Q63 N74 F184	T59-L61 PolarHBondContact O-N 3.04Å; T59-Y62 PolarHBondContact O-N 3.06Å; T59-Q63 HydrophobicContact CG2-CG 4.32Å; T59-Q63 WeakPolarHBondContact O-CB 3.45Å; T59-Q63 WeakPolarHBondContact O-CG 3.34Å; T59-Q63 PolarHBondContact O-N 3.23Å; T59-N74 PolarHBondContact N-OD1 2.87Å; T59-N74 PolarHBondContact OG1-OD1 3.4Å; T59-F184 HydrophobicContact CG2-CE1 4.11Å; T59-F184 HydrophobicContact CG2-CZ 3.74Å
60	R	74.7	Confident	79.6	Confident	198 Å²	198	38.8 Å²	38.8	75%	0.747	19%	0.194	S	C	*	.	H	α-helix	trans	-64.7	-38.2	178.5	-67.7	177.5	175.4	174.1	-3.1	112.6	E58 S64	E58-R60 PolarHBondContact O-N 2.65Å; E58-R60 VanDerWaalsContact O-N 3.07Å; R60-S64 PolarHBondContact O-N 2.72Å; R60-S64 VanDerWaalsContact O-N 3.09Å
61	L	82	Confident	80.3	Confident	58 Å²	58	38.7 Å²	38.7	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-73.4	-40	177.6	-65.8	175.3	0	0	0	111.2	R57 E58 T59 Q63 S64 G65 Q125	R57-L61 HydrophobicContact CB-CB 4Å; R57-L61 HydrophobicContact CB-CD1 4.18Å; R57-L61 PolarHBondContact NH1-O 3.05Å; R57-L61 PolarHBondContact NH2-O 2.9Å; E58-L61 HydrophobicContact CB-CD1 4.38Å; E58-L61 HydrophobicContact CB-CG 4.37Å; E58-L61 WeakPolarHBondContact O-CA 3.41Å; E58-L61 WeakPolarHBondContact O-CB 3.49Å; E58-L61 PolarHBondContact O-N 3.35Å; T59-L61 PolarHBondContact O-N 3.04Å; L61-Q63 PolarHBondContact O-N 3.07Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 PolarHBondContact O-OG 2.88Å; L61-G65 PolarHBondContact O-N 3.13Å; L61-Q125 HydrophobicContact CD1-CB 4.44Å; L61-Q125 HydrophobicContact CD1-CG 4.44Å
62	Y	80.6	Confident	80.6	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-49	170.3	-176.9	-70.9	0	0	0	111.4	D55 E58 T59 S64 G65 H66 A70 S72 P182	D55-Y62 HydrophobicContact CB-CD2 3.67Å; D55-Y62 HydrophobicContact CB-CE2 4.04Å; D55-Y62 VanDerWaalsContact OD2-CD2 3.24Å; D55-Y62 WeakPolarHBondContact OD2-CD2 3.36Å; E58-Y62 PolarHBondContact O-N 2.87Å; T59-Y62 PolarHBondContact O-N 3.06Å; Y62-S64 VanDerWaalsContact C-N 3.31Å; Y62-S64 PolarHBondContact O-N 3.42Å; Y62-G65 CarbonylContact O-C 3.54Å; Y62-G65 VanDerWaalsContact O-C 3.29Å; Y62-G65 PolarHBondContact O-N 2.91Å; Y62-G65 VanDerWaalsContact O-N 3.07Å; Y62-H66 HydrophobicContact CD1-CB 4.34Å; Y62-H66 AromaticContact CD1-CG 3.96Å; Y62-H66 AromaticContact CD1-ND1 3.62Å; Y62-H66 HydrophobicContact CD2-CB 3.88Å; Y62-H66 HydrophobicContact CE1-CB 4.28Å; Y62-H66 AromaticContact CE1-CD2 3.71Å; Y62-H66 AromaticContact CE1-CE1 3.25Å; Y62-H66 WeakPolarHBondContact CE1-CE1 3.45Å; Y62-H66 AromaticContact CE1-CG 3.49Å; Y62-H66 VanDerWaalsContact CE1-CG 3.49Å; Y62-H66 AromaticContact CE1-ND1 3.18Å; Y62-H66 WeakPolarHBondContact CE1-ND1 3.45Å; Y62-H66 AromaticContact CE1-NE2 3.54Å; Y62-H66 HydrophobicContact CE2-CB 3.89Å; Y62-H66 AromaticContact CE2-CD2 3.72Å; Y62-H66 AromaticContact CE2-CG 3.7Å; Y62-H66 HydrophobicContact CG-CB 4.12Å; Y62-H66 AromaticContact CZ-CD2 3.24Å; Y62-H66 AromaticContact CZ-CE1 3.6Å; Y62-H66 AromaticContact CZ-CG 3.39Å; Y62-H66 AromaticContact CZ-ND1 3.59Å; Y62-H66 AromaticContact CZ-NE2 3.36Å; Y62-H66 PolarHBondContact O-ND1 3.32Å; Y62-H66 PolarHBondContact OH-CD2 3.14Å; Y62-H66 PolarHBondContact OH-NE2 2.92Å; Y62-A70 PolarHBondContact OH-O 3.38Å; Y62-S72 VanDerWaalsContact CD2-CB 3.5Å; Y62-P182 HydrophobicContact CD1-CB 3.6Å; Y62-P182 HydrophobicContact CD1-CG 3.61Å; Y62-P182 HydrophobicContact CE1-CB 3.3Å; Y62-P182 HydrophobicContact CE1-CG 3.73Å; Y62-P182 HydrophobicContact CE2-CB 4.46Å; Y62-P182 HydrophobicContact CG-CB 4.36Å; Y62-P182 HydrophobicContact CG-CG 4.49Å
63	Q	72.7	Confident	80.6	Confident	91 Å²	91	36.8 Å²	36.8	43%	0.425	18%	0.181	S	C	.	.	H	α-helix	trans	-63.7	-33.1	-179.3	-76.3	169.2	-20.6	0	0	112.8	T59 L61 G65 P182	T59-Q63 HydrophobicContact CG2-CG 4.32Å; T59-Q63 WeakPolarHBondContact O-CB 3.45Å; T59-Q63 WeakPolarHBondContact O-CG 3.34Å; T59-Q63 PolarHBondContact O-N 3.23Å; L61-Q63 PolarHBondContact O-N 3.07Å; Q63-G65 PolarHBondContact O-N 2.81Å; Q63-P182 HydrophobicContact CG-CG 4.27Å
64	S	77.9	Confident	80.3	Confident	77 Å²	77	37.4 Å²	37.4	54%	0.538	18%	0.184	S	C	.	.	H	α-helix	trans	-69.4	-15.8	175	74.2	0	0	0	0	113.9	R60 L61 Y62	R60-S64 PolarHBondContact O-N 2.72Å; R60-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 PolarHBondContact O-OG 2.88Å; Y62-S64 VanDerWaalsContact C-N 3.31Å; Y62-S64 PolarHBondContact O-N 3.42Å
65	G	81.9	Confident	79.9	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.021	18%	0.184	C	C	.	.			trans	148.6	135.1	176.3	0	0	0	0	0	111	R57 L61 Y62 Q63 F164 D178	R57-G65 PolarHBondContact NH2-O 2.98Å; L61-G65 PolarHBondContact O-N 3.13Å; Y62-G65 CarbonylContact O-C 3.54Å; Y62-G65 VanDerWaalsContact O-C 3.29Å; Y62-G65 PolarHBondContact O-N 2.91Å; Y62-G65 VanDerWaalsContact O-N 3.07Å; Q63-G65 PolarHBondContact O-N 2.81Å; G65-F164 VanDerWaalsContact C-CZ 3.49Å; G65-F164 WeakPolarHBondContact O-CE1 3.23Å; G65-F164 WeakPolarHBondContact O-CZ 3.31Å; G65-D178 CarbonylContact C-O 3.3Å; G65-D178 WeakPolarHBondContact CA-O 3.36Å
66	H	83.9	Confident	79.4	Confident	5 Å²	5	42.2 Å²	42.2	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.8	179.9	58.8	-77.2	0	0	0	110.1	Y62 L68 Y123 I177 D178 N180	Y62-H66 HydrophobicContact CD1-CB 4.34Å; Y62-H66 AromaticContact CD1-CG 3.96Å; Y62-H66 AromaticContact CD1-ND1 3.62Å; Y62-H66 HydrophobicContact CD2-CB 3.88Å; Y62-H66 HydrophobicContact CE1-CB 4.28Å; Y62-H66 AromaticContact CE1-CD2 3.71Å; Y62-H66 AromaticContact CE1-CE1 3.25Å; Y62-H66 WeakPolarHBondContact CE1-CE1 3.45Å; Y62-H66 AromaticContact CE1-CG 3.49Å; Y62-H66 VanDerWaalsContact CE1-CG 3.49Å; Y62-H66 AromaticContact CE1-ND1 3.18Å; Y62-H66 WeakPolarHBondContact CE1-ND1 3.45Å; Y62-H66 AromaticContact CE1-NE2 3.54Å; Y62-H66 HydrophobicContact CE2-CB 3.89Å; Y62-H66 AromaticContact CE2-CD2 3.72Å; Y62-H66 AromaticContact CE2-CG 3.7Å; Y62-H66 HydrophobicContact CG-CB 4.12Å; Y62-H66 AromaticContact CZ-CD2 3.24Å; Y62-H66 AromaticContact CZ-CE1 3.6Å; Y62-H66 AromaticContact CZ-CG 3.39Å; Y62-H66 AromaticContact CZ-ND1 3.59Å; Y62-H66 AromaticContact CZ-NE2 3.36Å; Y62-H66 PolarHBondContact O-ND1 3.32Å; Y62-H66 PolarHBondContact OH-CD2 3.14Å; Y62-H66 PolarHBondContact OH-NE2 2.92Å; H66-L68 PolarHBondContact O-N 3.26Å; H66-Y123 WeakPolarHBondContact CB-OH 3.26Å; H66-I177 CarbonylContact O-C 3.23Å; H66-I177 VanDerWaalsContact O-CA 3.26Å; H66-I177 WeakPolarHBondContact O-CA 3.29Å; H66-D178 PolarHBondContact CE1-O 3.47Å; H66-D178 PolarHBondContact N-O 3.1Å; H66-D178 PolarHBondContact ND1-O 2.83Å; H66-D178 VanDerWaalsContact ND1-O 3.08Å; H66-D178 PolarHBondContact O-N 3.21Å; H66-N180 PolarHBondContact CE1-O 3.13Å; H66-N180 VanDerWaalsContact CE1-O 3.27Å
67	I	85.8	Confident	78.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137.5	176.6	-55.9	-177.8	0	0	0	109.3	L39 I53 T69 A70 Y123 I160 F164 F167	L39-I67 HydrophobicContact CD1-CG2 3.63Å; I53-I67 HydrophobicContact CD1-CG2 3.94Å; I53-I67 HydrophobicContact CG2-CB 4.33Å; I53-I67 HydrophobicContact CG2-CG2 4.43Å; I67-T69 PolarHBondContact O-N 2.8Å; I67-A70 HydrophobicContact CB-CB 4.26Å; I67-A70 WeakPolarHBondContact O-CB 3.48Å; I67-A70 PolarHBondContact O-N 3.5Å; I67-Y123 HydrophobicContact CB-CE1 4.06Å; I67-Y123 HydrophobicContact CD1-CD1 3.81Å; I67-Y123 HydrophobicContact CD1-CE1 3.63Å; I67-Y123 HydrophobicContact CD1-CG 4.39Å; I67-Y123 HydrophobicContact CG1-CD1 4.45Å; I67-Y123 HydrophobicContact CG1-CE1 3.79Å; I67-Y123 HydrophobicContact CG1-CE2 4.45Å; I67-Y123 PolarHBondContact N-OH 3.37Å; I67-I160 HydrophobicContact CD1-CD1 3.46Å; I67-I160 VanDerWaalsContact CD1-CD1 3.46Å; I67-F164 HydrophobicContact CG1-CD2 4Å; I67-F164 HydrophobicContact CG1-CE2 4.09Å; I67-F167 HydrophobicContact CB-CE1 4.38Å; I67-F167 HydrophobicContact CD1-CB 4.15Å; I67-F167 HydrophobicContact CD1-CD1 3.89Å; I67-F167 HydrophobicContact CD1-CD2 3.77Å; I67-F167 HydrophobicContact CD1-CE1 4.22Å; I67-F167 HydrophobicContact CD1-CE2 4.1Å; I67-F167 HydrophobicContact CD1-CG 3.65Å; I67-F167 HydrophobicContact CD1-CZ 4.32Å; I67-F167 HydrophobicContact CG1-CD1 3.69Å; I67-F167 HydrophobicContact CG1-CD2 4.43Å; I67-F167 HydrophobicContact CG1-CE1 3.84Å; I67-F167 HydrophobicContact CG1-CG 4Å; I67-F167 HydrophobicContact CG1-CZ 4.28Å; I67-F167 HydrophobicContact CG2-CE1 4.01Å; I67-F167 HydrophobicContact CG2-CE2 4.29Å; I67-F167 HydrophobicContact CG2-CZ 3.79Å
68	L	79.8	Confident	78.4	Confident	55 Å²	55	49.5 Å²	49.5	29%	0.288	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	136.3	177.2	-175	66.9	0	0	0	110.7	H66 A70 F176 D178	H66-L68 PolarHBondContact O-N 3.26Å; L68-A70 PolarHBondContact O-N 2.82Å; L68-F176 HydrophobicContact CB-CB 4.48Å; L68-F176 WeakPolarHBondContact CB-O 3.38Å; L68-F176 HydrophobicContact CD2-CD1 4.16Å; L68-F176 PolarHBondContact N-O 3.29Å; L68-D178 HydrophobicContact CD1-CB 4.15Å
69	T	74.7	Confident	78.1	Confident	87 Å²	87	49.8 Å²	49.8	53%	0.534	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	1.7	-171	74.4	0	0	0	0	117.1	I67	I67-T69 PolarHBondContact O-N 2.8Å
70	A	80.7	Confident	78.1	Confident	3 Å²	3	50 Å²	50	3%	0.025	25%	0.247	C	C	.	.			trans	-64.5	144.8	173.6	0	0	0	0	0	111.7	I53 Y62 I67 L68 Y123	I53-A70 HydrophobicContact CB-CB 4.05Å; I53-A70 HydrophobicContact CG2-CB 3.6Å; I53-A70 CarbonylContact O-C 3.52Å; I53-A70 VanDerWaalsContact O-CA 3.3Å; I53-A70 WeakPolarHBondContact O-CA 3.49Å; Y62-A70 PolarHBondContact OH-O 3.38Å; I67-A70 HydrophobicContact CB-CB 4.26Å; I67-A70 WeakPolarHBondContact O-CB 3.48Å; I67-A70 PolarHBondContact O-N 3.5Å; L68-A70 PolarHBondContact O-N 2.82Å; A70-Y123 HydrophobicContact CB-CE1 3.97Å; A70-Y123 WeakPolarHBondContact CB-OH 3.19Å
71	R	75.4	Confident	77.9	Confident	70 Å²	70	40.7 Å²	40.7	26%	0.264	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.8	172.9	-70.1	179.6	168.8	-113.6	1.5	110.5	I53 D55 A73 W91 I185	I53-R71 PolarHBondContact O-N 3.33Å; D55-R71 PolarHBondContact N-O 3.44Å; R71-A73 PolarHBondContact O-N 3Å; R71-W91 VanDerWaalsContact CZ-CE2 3.41Å; R71-W91 VanDerWaalsContact NH1-NE1 3.12Å; R71-I185 HydrophobicContact CB-CD1 3.78Å; R71-I185 HydrophobicContact CB-CG1 4.05Å
72	S	80	Confident	77.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.4	175.6	-167	0	0	0	0	110.1	Y62 N74 L183 I185	Y62-S72 VanDerWaalsContact CD2-CB 3.5Å; S72-N74 PolarHBondContact OG-N 3.12Å; S72-L183 PolarHBondContact N-O 3.19Å; S72-I185 PolarHBondContact O-N 3.28Å
73	A	77.5	Confident	76.7	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	25%	0.246	C	C	.	.			trans	-84.3	-21.1	163.7	0	0	0	0	0	111.7	V54 D55 R71 C75 A84 F146	V54-A73 HydrophobicContact CG1-CB 3.56Å; D55-A73 PolarHBondContact O-N 3.12Å; R71-A73 PolarHBondContact O-N 3Å; A73-C75 HydrophobicContact CB-CB 4.29Å; A73-C75 PolarHBondContact O-N 3.08Å; A73-C75 VanDerWaalsContact O-N 3.07Å; A73-A84 HydrophobicContact CB-CB 4.26Å; A73-A84 WeakPolarHBondContact O-CB 3.13Å; A73-F146 HydrophobicContact CB-CE1 4.34Å; A73-F146 HydrophobicContact CB-CE2 4.12Å; A73-F146 HydrophobicContact CB-CZ 3.95Å
74	N	77.8	Confident	76.5	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.07	23%	0.226	C	C	.	.			trans	52.3	30.9	178.9	-169.1	58.5	0	0	0	113.2	R57 T59 S72 Y76 M80	R57-N74 WeakPolarHBondContact O-CA 3.42Å; T59-N74 PolarHBondContact N-OD1 2.87Å; T59-N74 PolarHBondContact OG1-OD1 3.4Å; S72-N74 PolarHBondContact OG-N 3.12Å; N74-Y76 WeakPolarHBondContact O-CD1 3.27Å; N74-Y76 PolarHBondContact O-N 3.43Å; N74-Y76 WeakPolarHBondContact OD1-CE1 3.37Å; N74-M80 VanDerWaalsContact O-CB 3.25Å; N74-M80 WeakPolarHBondContact O-CB 3.34Å
75	C	78.3	Confident	75.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.			trans	-95.2	45.8	-166.6	59.8	0	0	0	0	113.7	M56 A73 A81 A84 A142 F146	M56-C75 VanDerWaalsContact CA-SG 3.53Å; M56-C75 WeakPolarHBondContact CB-SG 3.5Å; M56-C75 VanDerWaalsContact CG-SG 3.59Å; M56-C75 CarbonylContact O-C 3.32Å; M56-C75 PolarHBondContact O-N 3.39Å; A73-C75 HydrophobicContact CB-CB 4.29Å; A73-C75 PolarHBondContact O-N 3.08Å; A73-C75 VanDerWaalsContact O-N 3.07Å; C75-A81 HydrophobicContact CB-CB 4.04Å; C75-A84 HydrophobicContact CB-CB 3.95Å; C75-A142 WeakPolarHBondContact O-CB 3.36Å; C75-F146 HydrophobicContact CB-CB 4.37Å; C75-F146 HydrophobicContact CB-CD2 4.33Å; C75-F146 HydrophobicContact CB-CG 4.39Å
76	Y	76.5	Confident	74.6	Confident	101 Å²	101	47.6 Å²	47.6	40%	0.396	23%	0.227	S	C	.	.			trans	-83.4	-6.7	-177.2	65.5	-83.1	0	0	0	114.5	M56 E58 N74 M80 A142	M56-Y76 PolarHBondContact O-N 2.9Å; E58-Y76 HydrophobicContact CB-CD1 4.24Å; E58-Y76 HydrophobicContact CB-CE1 4.49Å; E58-Y76 HydrophobicContact CB-CG 4.4Å; E58-Y76 HydrophobicContact CG-CD1 3.65Å; E58-Y76 HydrophobicContact CG-CD2 3.46Å; E58-Y76 VanDerWaalsContact CG-CD2 3.46Å; E58-Y76 HydrophobicContact CG-CE1 3.96Å; E58-Y76 HydrophobicContact CG-CE2 3.76Å; E58-Y76 HydrophobicContact CG-CG 3.41Å; E58-Y76 VanDerWaalsContact CG-CG 3.41Å; N74-Y76 WeakPolarHBondContact O-CD1 3.27Å; N74-Y76 PolarHBondContact O-N 3.43Å; N74-Y76 WeakPolarHBondContact OD1-CE1 3.37Å; Y76-M80 HydrophobicContact CE1-CG 4.24Å; Y76-A142 WeakPolarHBondContact O-CB 3.35Å
77	T	75.9	Confident	73.3	Confident	57 Å²	57	47.9 Å²	47.9	35%	0.35	23%	0.229	S	C	.	.	S	Bend	trans	-126.6	153.8	168.4	67.7	0	0	0	0	110.8	T79 M80 A81 A142	T77-T79 PolarHBondContact O-N 2.86Å; T77-T79 VanDerWaalsContact O-N 3.15Å; T77-M80 CarbonylContact O-C 3.48Å; T77-M80 WeakPolarHBondContact O-CA 3.24Å; T77-M80 PolarHBondContact O-N 3.3Å; T77-M80 WeakPolarHBondContact OG1-CG 3.49Å; T77-M80 PolarHBondContact OG1-N 2.99Å; T77-A81 PolarHBondContact O-N 3.03Å; T77-A142 VanDerWaalsContact CA-CB 3.44Å
78	K	73.7	Confident	72.1	Confident	105 Å²	105	47.9 Å²	47.9	46%	0.457	23%	0.229	S	C	.	.	H	α-helix	trans	-52.1	-38.1	178.4	178.6	171.1	-178.8	175.1	0	112.8	K82	K78-K82 PolarHBondContact O-N 3.42Å
79	T	74.5	Confident	70.9	Confident	86 Å²	86	47.9 Å²	47.9	53%	0.528	23%	0.229	S	C	.	.	H	α-helix	trans	-68.4	-41	176.4	-51.1	0	0	0	0	112.1	T77 R83	T77-T79 PolarHBondContact O-N 2.86Å; T77-T79 VanDerWaalsContact O-N 3.15Å; T79-R83 PolarHBondContact O-N 3.34Å
80	M	75.5	Confident	69.7	Low	37 Å²	37	45.6 Å²	45.6	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-68.2	-38.5	174.5	-67.2	-59.9	97.9	0	0	112	N74 Y76 T77 K82 R83 A84	N74-M80 VanDerWaalsContact O-CB 3.25Å; N74-M80 WeakPolarHBondContact O-CB 3.34Å; Y76-M80 HydrophobicContact CE1-CG 4.24Å; T77-M80 CarbonylContact O-C 3.48Å; T77-M80 WeakPolarHBondContact O-CA 3.24Å; T77-M80 PolarHBondContact O-N 3.3Å; T77-M80 WeakPolarHBondContact OG1-CG 3.49Å; T77-M80 PolarHBondContact OG1-N 2.99Å; M80-K82 PolarHBondContact O-N 3.24Å; M80-R83 PolarHBondContact O-N 3.31Å; M80-A84 WeakPolarHBondContact O-CB 3.31Å; M80-A84 PolarHBondContact O-N 3.31Å
81	A	71.9	Confident	68.3	Low	1 Å²	1	47.1 Å²	47.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-43.1	176.6	0	0	0	0	0	112.8	C75 T77 R83 A84 I85 A142 H145 F146	C75-A81 HydrophobicContact CB-CB 4.04Å; T77-A81 PolarHBondContact O-N 3.03Å; A81-R83 PolarHBondContact O-N 3.44Å; A81-A84 PolarHBondContact O-N 2.89Å; A81-I85 WeakPolarHBondContact O-CG1 3.32Å; A81-I85 PolarHBondContact O-N 3.35Å; A81-I85 VanDerWaalsContact O-N 3.11Å; A81-A142 VanDerWaalsContact CB-O 3.22Å; A81-A142 WeakPolarHBondContact CB-O 3.24Å; A81-H145 HydrophobicContact CB-CB 3.87Å; A81-F146 HydrophobicContact CB-CB 4.26Å
82	K	69.3	Low	67.1	Low	135 Å²	135	47 Å²	47	59%	0.587	22%	0.219	S	C	*	.	H	α-helix	trans	-58.3	-46	172.7	-74	-172.9	170.1	-162.6	0	112.6	K78 M80 I85 Q86	K78-K82 PolarHBondContact O-N 3.42Å; M80-K82 PolarHBondContact O-N 3.24Å; K82-I85 PolarHBondContact O-N 3.5Å; K82-Q86 PolarHBondContact O-N 3.26Å
83	R	67.6	Low	65.3	Low	121 Å²	121	51.1 Å²	51.1	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-68.1	-37.3	178.9	-69.7	-178	179	178.2	-1.3	113	T79 M80 A81 I85 Q86 S87	T79-R83 PolarHBondContact O-N 3.34Å; M80-R83 PolarHBondContact O-N 3.31Å; A81-R83 PolarHBondContact O-N 3.44Å; R83-I85 VanDerWaalsContact C-N 3.3Å; R83-I85 PolarHBondContact O-N 3.04Å; R83-Q86 PolarHBondContact O-N 2.69Å; R83-S87 PolarHBondContact O-N 3.16Å; R83-S87 PolarHBondContact O-OG 3.11Å
84	A	67.6	Low	63.4	Low	1 Å²	1	57.3 Å²	57.3	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-36.6	177.2	0	0	0	0	0	111.5	A73 C75 M80 A81 S87 W88 F146	A73-A84 HydrophobicContact CB-CB 4.26Å; A73-A84 WeakPolarHBondContact O-CB 3.13Å; C75-A84 HydrophobicContact CB-CB 3.95Å; M80-A84 WeakPolarHBondContact O-CB 3.31Å; M80-A84 PolarHBondContact O-N 3.31Å; A81-A84 PolarHBondContact O-N 2.89Å; A84-S87 PolarHBondContact O-N 2.79Å; A84-W88 VanDerWaalsContact O-CB 3.23Å; A84-W88 WeakPolarHBondContact O-CB 3.3Å; A84-W88 PolarHBondContact O-N 3.47Å; A84-F146 HydrophobicContact CB-CD2 3.81Å; A84-F146 HydrophobicContact CB-CE2 3.74Å
85	I	64.7	Low	61.6	Low	13 Å²	13	60.3 Å²	60.3	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-44.4	173.8	-70.5	-65	0	0	0	112.3	A81 K82 R83 S87 W88 D89 F146 A149 L150 R153	A81-I85 WeakPolarHBondContact O-CG1 3.32Å; A81-I85 PolarHBondContact O-N 3.35Å; A81-I85 VanDerWaalsContact O-N 3.11Å; K82-I85 PolarHBondContact O-N 3.5Å; R83-I85 VanDerWaalsContact C-N 3.3Å; R83-I85 PolarHBondContact O-N 3.04Å; I85-S87 VanDerWaalsContact C-N 3.28Å; I85-S87 PolarHBondContact O-N 3.41Å; I85-W88 WeakPolarHBondContact O-CB 3.43Å; I85-W88 PolarHBondContact O-N 3.44Å; I85-W88 VanDerWaalsContact O-N 3.09Å; I85-D89 PolarHBondContact O-N 3.39Å; I85-D89 VanDerWaalsContact O-N 3.1Å; I85-F146 HydrophobicContact CD1-CD2 3.53Å; I85-F146 HydrophobicContact CD1-CE2 3.66Å; I85-F146 HydrophobicContact CD1-CG 4.23Å; I85-F146 HydrophobicContact CD1-CZ 4.46Å; I85-F146 HydrophobicContact CG1-CD2 3.73Å; I85-F146 HydrophobicContact CG1-CE2 4.15Å; I85-A149 HydrophobicContact CB-CB 4.43Å; I85-A149 HydrophobicContact CD1-CB 3.5Å; I85-A149 VanDerWaalsContact CD1-CB 3.5Å; I85-A149 HydrophobicContact CG1-CB 3.57Å; I85-A149 HydrophobicContact CG2-CB 4.07Å; I85-L150 HydrophobicContact CD1-CD2 4.15Å; I85-L150 HydrophobicContact CD1-CG 4.13Å; I85-R153 VanDerWaalsContact CG2-CZ 3.47Å
86	Q	56.4	Low	59.5	Low	107 Å²	107	67 Å²	67	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-57.4	-45.2	174.2	-69	171.7	-45.5	0	0	111	K82 R83 W88 I90	K82-Q86 PolarHBondContact O-N 3.26Å; R83-Q86 PolarHBondContact O-N 2.69Å; Q86-W88 VanDerWaalsContact C-N 3.33Å; Q86-W88 PolarHBondContact O-N 3.47Å; Q86-I90 WeakPolarHBondContact O-CD1 3.47Å
87	S	55	Low	57.4	Low	11 Å²	11	65.9 Å²	65.9	8%	0.077	34%	0.342	C	S	.	.	H	α-helix	trans	-69.7	-26.8	176.7	-63.1	0	0	0	0	113.6	R83 A84 I85 W91 I185 N186 Y187	R83-S87 PolarHBondContact O-N 3.16Å; R83-S87 PolarHBondContact O-OG 3.11Å; A84-S87 PolarHBondContact O-N 2.79Å; I85-S87 VanDerWaalsContact C-N 3.28Å; I85-S87 PolarHBondContact O-N 3.41Å; S87-W91 PolarHBondContact O-N 3.3Å; S87-I185 WeakPolarHBondContact CB-O 3.47Å; S87-I185 WeakPolarHBondContact O-CG2 3.36Å; S87-N186 WeakPolarHBondContact OG-CA 3.36Å; S87-Y187 PolarHBondContact OG-N 2.86Å; S87-Y187 VanDerWaalsContact OG-N 3.16Å
88	W	62.5	Low	55.5	Low	1 Å²	1	66.6 Å²	66.6	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-45.6	176.4	172.8	-84	0	0	0	111.7	I52 V54 A84 I85 Q86 I90 W91 Y92 I120 F146 L150 I185	I52-W88 HydrophobicContact CB-CH2 4.5Å; I52-W88 HydrophobicContact CD1-CH2 4.31Å; I52-W88 HydrophobicContact CG2-CH2 3.67Å; I52-W88 HydrophobicContact CG2-CZ3 4.01Å; V54-W88 HydrophobicContact CG2-CH2 4.17Å; V54-W88 HydrophobicContact CG2-CZ3 3.64Å; A84-W88 VanDerWaalsContact O-CB 3.23Å; A84-W88 WeakPolarHBondContact O-CB 3.3Å; A84-W88 PolarHBondContact O-N 3.47Å; I85-W88 WeakPolarHBondContact O-CB 3.43Å; I85-W88 PolarHBondContact O-N 3.44Å; I85-W88 VanDerWaalsContact O-N 3.09Å; Q86-W88 VanDerWaalsContact C-N 3.33Å; Q86-W88 PolarHBondContact O-N 3.47Å; W88-I90 VanDerWaalsContact C-N 3.27Å; W88-I90 PolarHBondContact O-N 2.95Å; W88-W91 HydrophobicContact CD2-CE3 4.26Å; W88-W91 HydrophobicContact CD2-CZ3 4.47Å; W88-W91 AromaticContact CE3-CE3 3.94Å; W88-W91 HydrophobicContact CE3-CE3 3.94Å; W88-W91 HydrophobicContact CE3-CZ3 4.02Å; W88-W91 HydrophobicContact CH2-CE3 4.32Å; W88-W91 AromaticContact CH2-CZ3 3.6Å; W88-W91 HydrophobicContact CH2-CZ3 3.6Å; W88-W91 HydrophobicContact CZ2-CZ3 4.02Å; W88-W91 AromaticContact CZ3-CE3 3.98Å; W88-W91 HydrophobicContact CZ3-CE3 3.98Å; W88-W91 AromaticContact CZ3-CZ3 3.57Å; W88-W91 HydrophobicContact CZ3-CZ3 3.57Å; W88-W91 PolarHBondContact O-N 3.05Å; W88-W91 VanDerWaalsContact O-N 3.12Å; W88-Y92 HydrophobicContact CZ2-CD2 4Å; W88-Y92 WeakPolarHBondContact O-CB 3.39Å; W88-Y92 PolarHBondContact O-N 2.9Å; W88-I120 HydrophobicContact CH2-CD1 3.55Å; W88-I120 HydrophobicContact CH2-CG1 3.94Å; W88-I120 HydrophobicContact CH2-CG2 4.05Å; W88-I120 HydrophobicContact CZ2-CD1 3.3Å; W88-I120 HydrophobicContact CZ2-CG1 4.05Å; W88-F146 HydrophobicContact CE3-CZ 4.12Å; W88-L150 HydrophobicContact CD2-CD2 3.72Å; W88-L150 VanDerWaalsContact CE2-CD2 3.42Å; W88-L150 HydrophobicContact CE3-CD2 4.4Å; W88-L150 HydrophobicContact CG-CD2 3.95Å; W88-L150 HydrophobicContact CH2-CD2 4.48Å; W88-L150 HydrophobicContact CZ2-CD2 3.88Å; W88-I185 HydrophobicContact CE3-CD1 4.04Å; W88-I185 HydrophobicContact CZ3-CD1 4.33Å
89	D	53.7	Low	53.5	Low	54 Å²	54	67.2 Å²	67.2	29%	0.289	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-40.2	-175.3	-69.9	-23.6	0	0	0	112.1	I85 T93 R153	I85-D89 PolarHBondContact O-N 3.39Å; I85-D89 VanDerWaalsContact O-N 3.1Å; D89-T93 WeakPolarHBondContact O-CB 3.25Å; D89-T93 WeakPolarHBondContact O-CG2 3.49Å; D89-T93 PolarHBondContact O-N 3.43Å; D89-T93 PolarHBondContact O-OG1 2.88Å; D89-R153 WeakPolarHBondContact OD1-CD 3.42Å; D89-R153 IonicContact OD1-CZ 3.44Å; D89-R153 IonicContact OD1-NE 3.57Å; D89-R153 PolarHBondContact OD1-NE 2.92Å; D89-R153 IonicContact OD1-NH2 3.39Å; D89-R153 IonicContact OD2-CZ 3.54Å; D89-R153 IonicContact OD2-NE 3.81Å; D89-R153 PolarHBondContact OD2-NE 3.12Å; D89-R153 IonicContact OD2-NH2 2.8Å; D89-R153 PolarHBondContact OD2-NH2 3.06Å
90	I	48.7	Very low	51.2	Low	40 Å²	40	67 Å²	67	21%	0.205	37%	0.37	C	S	.	.	H	α-helix	trans	-68.2	-46.6	176.8	-55.6	142.9	0	0	0	110.1	Q86 W88 Y92 T93 E94 Y187 I188	Q86-I90 WeakPolarHBondContact O-CD1 3.47Å; W88-I90 VanDerWaalsContact C-N 3.27Å; W88-I90 PolarHBondContact O-N 2.95Å; I90-Y92 VanDerWaalsContact C-N 3.33Å; I90-Y92 PolarHBondContact O-N 3.05Å; I90-T93 WeakPolarHBondContact CA-OG1 3.15Å; I90-T93 PolarHBondContact O-N 3.33Å; I90-T93 PolarHBondContact O-OG1 3.27Å; I90-T93 VanDerWaalsContact O-OG1 3.04Å; I90-E94 WeakPolarHBondContact O-CG 3.18Å; I90-E94 PolarHBondContact O-N 3.02Å; I90-Y187 WeakPolarHBondContact CD1-O 3.48Å; I90-I188 HydrophobicContact CD1-CB 3.86Å; I90-I188 HydrophobicContact CD1-CD1 3.35Å; I90-I188 HydrophobicContact CD1-CG1 3.6Å; I90-I188 HydrophobicContact CG1-CD1 3.86Å
91	W	52.8	Low	49.2	Very low	34 Å²	34	68.8 Å²	68.8	13%	0.129	39%	0.385	C	S	.	.	H	α-helix	trans	-63.9	-38.6	179	173.4	59.4	0	0	0	112.7	I52 R71 S87 W88 T95	I52-W91 HydrophobicContact CB-CH2 4.47Å; I52-W91 HydrophobicContact CD1-CH2 3.73Å; I52-W91 HydrophobicContact CD1-CZ3 4.06Å; I52-W91 HydrophobicContact CG1-CH2 3.97Å; I52-W91 HydrophobicContact CG2-CH2 3.64Å; I52-W91 HydrophobicContact CG2-CZ3 3.87Å; R71-W91 VanDerWaalsContact CZ-CE2 3.41Å; R71-W91 VanDerWaalsContact NH1-NE1 3.12Å; S87-W91 PolarHBondContact O-N 3.3Å; W88-W91 HydrophobicContact CD2-CE3 4.26Å; W88-W91 HydrophobicContact CD2-CZ3 4.47Å; W88-W91 AromaticContact CE3-CE3 3.94Å; W88-W91 HydrophobicContact CE3-CE3 3.94Å; W88-W91 HydrophobicContact CE3-CZ3 4.02Å; W88-W91 HydrophobicContact CH2-CE3 4.32Å; W88-W91 AromaticContact CH2-CZ3 3.6Å; W88-W91 HydrophobicContact CH2-CZ3 3.6Å; W88-W91 HydrophobicContact CZ2-CZ3 4.02Å; W88-W91 AromaticContact CZ3-CE3 3.98Å; W88-W91 HydrophobicContact CZ3-CE3 3.98Å; W88-W91 AromaticContact CZ3-CZ3 3.57Å; W88-W91 HydrophobicContact CZ3-CZ3 3.57Å; W88-W91 PolarHBondContact O-N 3.05Å; W88-W91 VanDerWaalsContact O-N 3.12Å; W91-T95 PolarHBondContact O-OG1 3.22Å
92	Y	49.6	Very low	47.3	Very low	67 Å²	67	80 Å²	80	26%	0.263	43%	0.429	S	S	.	.	H	α-helix	trans	-67.7	-47.2	178.6	-170.2	-98.7	0	0	0	110.8	W88 I90 E94 T95 H96 P118	W88-Y92 HydrophobicContact CZ2-CD2 4Å; W88-Y92 WeakPolarHBondContact O-CB 3.39Å; W88-Y92 PolarHBondContact O-N 2.9Å; I90-Y92 VanDerWaalsContact C-N 3.33Å; I90-Y92 PolarHBondContact O-N 3.05Å; Y92-E94 VanDerWaalsContact C-N 3.3Å; Y92-E94 PolarHBondContact O-N 3.18Å; Y92-T95 PolarHBondContact O-N 3.44Å; Y92-T95 PolarHBondContact O-OG1 2.89Å; Y92-H96 AromaticContact CE1-CE1 3.92Å; Y92-P118 HydrophobicContact CE2-CG 4.25Å
93	T	42.5	Very low	45.8	Very low	88 Å²	88	81.9 Å²	81.9	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-64.4	-29.2	177.8	48.8	0	0	0	0	113.6	D89 I90 T95 H96	D89-T93 WeakPolarHBondContact O-CB 3.25Å; D89-T93 WeakPolarHBondContact O-CG2 3.49Å; D89-T93 PolarHBondContact O-N 3.43Å; D89-T93 PolarHBondContact O-OG1 2.88Å; I90-T93 WeakPolarHBondContact CA-OG1 3.15Å; I90-T93 PolarHBondContact O-N 3.33Å; I90-T93 PolarHBondContact O-OG1 3.27Å; I90-T93 VanDerWaalsContact O-OG1 3.04Å; T93-T95 PolarHBondContact O-N 2.73Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-H96 PolarHBondContact O-CD2 2.87Å
94	E	37.9	Very low	44.2	Very low	132 Å²	132	85.6 Å²	85.6	62%	0.617	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-7.6	169.4	-76.7	-179.4	174.8	0	0	114.1	I90 Y92	I90-E94 WeakPolarHBondContact O-CG 3.18Å; I90-E94 PolarHBondContact O-N 3.02Å; Y92-E94 VanDerWaalsContact C-N 3.3Å; Y92-E94 PolarHBondContact O-N 3.18Å
95	T	39.6	Very low	42.7	Very low	76 Å²	76	89.6 Å²	89.6	47%	0.466	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	49	-170.6	56.8	0	0	0	0	115.8	W91 Y92 T93	W91-T95 PolarHBondContact O-OG1 3.22Å; Y92-T95 PolarHBondContact O-N 3.44Å; Y92-T95 PolarHBondContact O-OG1 2.89Å; T93-T95 PolarHBondContact O-N 2.73Å; T93-T95 VanDerWaalsContact O-N 3.17Å
96	H	34.6	Very low	41.7	Very low	140 Å²	140	95.7 Å²	95.7	65%	0.648	53%	0.532	S	S	*	.			trans	-87.4	135	173.4	-72.3	-65.5	0	0	0	114.8	Y92 T93	Y92-H96 AromaticContact CE1-CE1 3.92Å; T93-H96 PolarHBondContact O-CD2 2.87Å
97	G	31.6	Very low	40.5	Very low	78 Å²	78	94.4 Å²	94.4	80%	0.804	53%	0.531	S	S	*	.			trans	144	103.5	168	0	0	0	0	0	114.6
98	C	35.8	Very low	39.6	Very low	72 Å²	72	97.7 Å²	97.7	49%	0.486	55%	0.554	S	S	.	*			trans	-158.8	119.8	174.4	-172	0	0	0	0	115.7
99	P	31.2	Very low	38.4	Very low	117 Å²	117	102.4 Å²	102.4	76%	0.76	58%	0.575	S	S	*	*			trans	-110.1	173.7	153.9	35.7	-25	0	0	0	111.1
100	A	27.7	Very low	37.9	Very low	82 Å²	82	106.7 Å²	106.7	68%	0.678	60%	0.596	S	S	*	*			cis	-160.1	168.8	-15.3	0	0	0	0	0	108.8
101	P	32.6	Very low	37.4	Very low	75 Å²	75	108.5 Å²	108.5	49%	0.487	61%	0.613	S	S	.	*			trans	-100	175.6	-172	38.3	-35.8	0	0	0	116.2	L115	P101-L115 HydrophobicContact CB-CD2 4.29Å
102	Y	31	Very low	36.5	Very low	237 Å²	237	110.2 Å²	110.2	93%	0.929	62%	0.622	S	S	*	*			trans	-119.3	147.3	171.8	-94	-90.1	0	0	0	111.2
103	M	38.7	Very low	36.1	Very low	173 Å²	173	109 Å²	109	85%	0.852	62%	0.62	S	S	*	*			trans	-105.8	-7.9	-150.6	-78.4	-67.6	-129.5	0	0	118.5
104	E	34.4	Very low	35.7	Very low	200 Å²	200	107.4 Å²	107.4	94%	0.935	61%	0.612	S	S	*	*			trans	-109.4	79.5	-169.6	-69.4	175.7	-157.9	0	0	112.8
105	S	35.2	Very low	35.6	Very low	85 Å²	85	105.1 Å²	105.1	59%	0.594	60%	0.604	S	S	*	*			trans	-158.2	124.3	168.9	-173.4	0	0	0	0	112.6	V107	S105-V107 VanDerWaalsContact C-N 3.31Å; S105-V107 PolarHBondContact O-N 3.25Å
106	P	44.8	Very low	35.6	Very low	141 Å²	141	105.3 Å²	105.3	92%	0.916	61%	0.605	S	S	*	*			trans	-85.9	21.4	-174.1	-6.7	25.6	0	0	0	115.6
107	V	30.9	Very low	36.1	Very low	79 Å²	79	103 Å²	103	48%	0.479	59%	0.593	S	S	.	*			trans	-95.4	150.2	-166.4	-166.2	0	0	0	0	113.2	S105 Q112	S105-V107 VanDerWaalsContact C-N 3.31Å; S105-V107 PolarHBondContact O-N 3.25Å; V107-Q112 PolarHBondContact O-NE2 2.7Å
108	S	35.6	Very low	37.2	Very low	80 Å²	80	101.3 Å²	101.3	56%	0.559	57%	0.568	S	S	*	*			trans	-65.5	165.1	-166.2	68	0	0	0	0	117.3	I110 S111 Q112	S108-I110 PolarHBondContact O-N 2.85Å; S108-S111 CarbonylContact O-C 3.33Å; S108-S111 WeakPolarHBondContact O-CA 3.5Å; S108-S111 WeakPolarHBondContact O-CB 3.28Å; S108-S111 PolarHBondContact O-N 3.1Å; S108-S111 PolarHBondContact O-OG 3.14Å; S108-Q112 PolarHBondContact O-N 3.33Å
109	F	36.9	Very low	38.8	Very low	100 Å²	100	98.7 Å²	98.7	44%	0.439	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-69.5	-29.2	-160.5	-170.8	-128.8	0	0	0	117	I23 S111 Q112 I113	I23-F109 HydrophobicContact CD1-CD1 4.42Å; I23-F109 HydrophobicContact CD1-CE1 3.39Å; I23-F109 HydrophobicContact CD1-CZ 3.76Å; I23-F109 HydrophobicContact CG1-CE1 3.82Å; I23-F109 HydrophobicContact CG1-CZ 4.48Å; F109-S111 PolarHBondContact O-N 2.86Å; F109-Q112 HydrophobicContact CD2-CB 4.07Å; F109-Q112 CarbonylContact O-C 3.49Å; F109-Q112 VanDerWaalsContact O-CA 3.29Å; F109-Q112 WeakPolarHBondContact O-CA 3.36Å; F109-Q112 WeakPolarHBondContact O-CB 3.29Å; F109-Q112 PolarHBondContact O-N 2.94Å; F109-I113 PolarHBondContact O-N 2.93Å; F109-I113 VanDerWaalsContact O-N 3.12Å
110	I	44	Very low	41.1	Very low	144 Å²	144	93.1 Å²	93.1	74%	0.738	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-67.2	-27.9	168.2	-72.9	170.8	0	0	0	110.7	S108 Q112	S108-I110 PolarHBondContact O-N 2.85Å; I110-Q112 VanDerWaalsContact C-N 3.26Å
111	S	37.2	Very low	43.9	Very low	78 Å²	78	89.4 Å²	89.4	55%	0.545	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-77.5	-10.6	167.3	-39	0	0	0	0	112.7	S108 F109	S108-S111 CarbonylContact O-C 3.33Å; S108-S111 WeakPolarHBondContact O-CA 3.5Å; S108-S111 WeakPolarHBondContact O-CB 3.28Å; S108-S111 PolarHBondContact O-N 3.1Å; S108-S111 PolarHBondContact O-OG 3.14Å; F109-S111 PolarHBondContact O-N 2.86Å
112	Q	35.7	Very low	46.6	Very low	70 Å²	70	85.8 Å²	85.8	33%	0.327	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-101.9	5.7	174.4	-59.3	-178.9	12.1	0	0	114	V107 S108 F109 I110 S114 L115	V107-Q112 PolarHBondContact O-NE2 2.7Å; S108-Q112 PolarHBondContact O-N 3.33Å; F109-Q112 HydrophobicContact CD2-CB 4.07Å; F109-Q112 CarbonylContact O-C 3.49Å; F109-Q112 VanDerWaalsContact O-CA 3.29Å; F109-Q112 WeakPolarHBondContact O-CA 3.36Å; F109-Q112 WeakPolarHBondContact O-CB 3.29Å; F109-Q112 PolarHBondContact O-N 2.94Å; I110-Q112 VanDerWaalsContact C-N 3.26Å; Q112-S114 PolarHBondContact O-N 3.38Å; Q112-L115 HydrophobicContact CB-CD1 3.89Å; Q112-L115 HydrophobicContact CB-CG 4.03Å; Q112-L115 HydrophobicContact CG-CD1 4.4Å; Q112-L115 WeakPolarHBondContact O-CB 3.41Å; Q112-L115 WeakPolarHBondContact O-CG 3.47Å; Q112-L115 PolarHBondContact O-N 3.32Å
113	I	39.3	Very low	49.5	Very low	42 Å²	42	74.5 Å²	74.5	22%	0.215	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	3.1	176.1	-109.6	160.8	0	0	0	113.6	F109 R156 Y158	F109-I113 PolarHBondContact O-N 2.93Å; F109-I113 VanDerWaalsContact O-N 3.12Å; I113-R156 PolarHBondContact O-NH1 2.94Å; I113-R156 VanDerWaalsContact O-NH1 3.16Å; I113-R156 PolarHBondContact O-NH2 3.42Å; I113-R156 VanDerWaalsContact O-NH2 3.09Å; I113-Y158 WeakPolarHBondContact CD1-OH 3.46Å; I113-Y158 WeakPolarHBondContact CG1-OH 3.46Å; I113-Y158 HydrophobicContact CG2-CE1 4.29Å; I113-Y158 HydrophobicContact CG2-CE2 4.33Å; I113-Y158 WeakPolarHBondContact CG2-OH 3.29Å
114	S	35.8	Very low	51.8	Low	54 Å²	54	66.7 Å²	66.7	38%	0.378	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	3.9	169.5	-53.5	0	0	0	0	115.2	R38 Q112 V116	R38-S114 PolarHBondContact NH2-OG 3.08Å; Q112-S114 PolarHBondContact O-N 3.38Å; S114-V116 PolarHBondContact O-N 2.8Å
115	L	35.6	Very low	54.4	Low	85 Å²	85	59.2 Å²	59.2	45%	0.445	34%	0.343	S	S	.	.	S	Bend	trans	-61.1	-30.1	-164.6	-89.7	178.4	0	0	0	116.9	P101 Q112	P101-L115 HydrophobicContact CB-CD2 4.29Å; Q112-L115 HydrophobicContact CB-CD1 3.89Å; Q112-L115 HydrophobicContact CB-CG 4.03Å; Q112-L115 HydrophobicContact CG-CD1 4.4Å; Q112-L115 WeakPolarHBondContact O-CB 3.41Å; Q112-L115 WeakPolarHBondContact O-CG 3.47Å; Q112-L115 PolarHBondContact O-N 3.32Å
116	V	38	Very low	56.7	Low	80 Å²	80	63.6 Å²	63.6	49%	0.485	35%	0.346	S	S	.	.	S	Bend	trans	-144.5	157.9	150.5	-142.6	0	0	0	0	111.6	S114 R156	S114-V116 PolarHBondContact O-N 2.8Å; V116-R156 PolarHBondContact O-NH2 3.31Å
117	K	46.6	Very low	58.1	Low	90 Å²	90	57.3 Å²	57.3	39%	0.391	31%	0.306	S	S	.	.	S	Bend	trans	-95	162	-173.8	-77.1	143.6	175.8	-176.6	0	112.4	H50	H50-K117 HydrophobicContact CB-CD 3.5Å; H50-K117 VanDerWaalsContact CB-CD 3.5Å; H50-K117 HydrophobicContact CB-CG 3.91Å; H50-K117 PolarHBondContact CD2-NZ 3.2Å; H50-K117 VanDerWaalsContact CG-NZ 3.26Å; H50-K117 PolarHBondContact NE2-NZ 3.33Å
118	P	55	Low	59.6	Low	44 Å²	44	59.2 Å²	59.2	29%	0.286	31%	0.314	S	S	.	.	P	Polyproline II helix	cis	-98.9	148.3	2.4	33.4	-28.9	0	0	0	114.5	I52 Y92	I52-P118 HydrophobicContact CD1-CB 3.56Å; I52-P118 HydrophobicContact CD1-CG 3.34Å; I52-P118 HydrophobicContact CG1-CB 3.78Å; I52-P118 HydrophobicContact CG1-CG 4.15Å; Y92-P118 HydrophobicContact CE2-CG 4.25Å
119	A	69.2	Low	60.4	Low	17 Å²	17	60.3 Å²	60.3	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.9	163.9	0	0	0	0	0	109.2	I52 Y158	I52-A119 PolarHBondContact N-O 3.24Å; A119-Y158 HydrophobicContact CB-CD2 4.28Å; A119-Y158 HydrophobicContact CB-CE2 4.1Å
120	I	79.4	Confident	61	Low	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.1	178.4	-50.1	175.6	0	0	0	108.6	I52 V54 W88 V122 L150 N155 R156 V157 Y158	I52-I120 CarbonylContact O-C 3.54Å; I52-I120 WeakPolarHBondContact O-CA 3.19Å; V54-I120 HydrophobicContact CG2-CG2 3.67Å; W88-I120 HydrophobicContact CH2-CD1 3.55Å; W88-I120 HydrophobicContact CH2-CG1 3.94Å; W88-I120 HydrophobicContact CH2-CG2 4.05Å; W88-I120 HydrophobicContact CZ2-CD1 3.3Å; W88-I120 HydrophobicContact CZ2-CG1 4.05Å; I120-V122 HydrophobicContact CG2-CG1 3.94Å; I120-L150 HydrophobicContact CD1-CB 4.44Å; I120-L150 HydrophobicContact CD1-CD1 3.89Å; I120-L150 HydrophobicContact CD1-CD2 3.95Å; I120-L150 HydrophobicContact CD1-CG 4.33Å; I120-L150 HydrophobicContact CG2-CD1 4.17Å; I120-N155 HydrophobicContact CD1-CB 3.45Å; I120-N155 VanDerWaalsContact CD1-CB 3.45Å; I120-N155 HydrophobicContact CG1-CB 4.33Å; I120-R156 PolarHBondContact N-O 3.07Å; I120-V157 HydrophobicContact CD1-CG2 4.48Å; I120-V157 CarbonylContact O-C 3.44Å; I120-V157 WeakPolarHBondContact O-CA 3.24Å; I120-Y158 PolarHBondContact O-N 2.86Å
121	V	86.5	Confident	61.1	Low	3 Å²	3	54.7 Å²	54.7	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.8	173.4	-179.7	0	0	0	0	108.3	V30 I35 L51 I52 I53 V54 Y158 I160	V30-V121 HydrophobicContact CG1-CG1 4.28Å; I35-V121 HydrophobicContact CD1-CG1 3.85Å; I35-V121 HydrophobicContact CD1-CG2 3.91Å; I35-V121 HydrophobicContact CG1-CG1 4.21Å; L51-V121 HydrophobicContact CB-CG2 4.49Å; L51-V121 HydrophobicContact CD2-CG2 4.08Å; I52-V121 PolarHBondContact O-N 3.35Å; I53-V121 CarbonylContact C-O 3.31Å; I53-V121 WeakPolarHBondContact CA-O 3.4Å; I53-V121 HydrophobicContact CG1-CB 4.46Å; V54-V121 PolarHBondContact N-O 3.21Å; V121-Y158 CarbonylContact C-O 3.55Å; V121-Y158 VanDerWaalsContact CA-O 3.29Å; V121-Y158 WeakPolarHBondContact CA-O 3.4Å; V121-I160 HydrophobicContact CG1-CD1 3.81Å; V121-I160 HydrophobicContact CG1-CG1 3.55Å
122	V	88.8	Confident	61.6	Low	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	149.2	179.6	-57.8	0	0	0	0	110.9	V54 M56 I120 F146 I147 L150 V157 Y158 M159 I160	V54-V122 HydrophobicContact CB-CG1 4.24Å; V54-V122 WeakPolarHBondContact O-CA 3.3Å; M56-V122 HydrophobicContact CE-CB 3.89Å; M56-V122 HydrophobicContact CE-CG2 3.91Å; M56-V122 HydrophobicContact CG-CB 4.32Å; M56-V122 HydrophobicContact SD-CB 3.88Å; M56-V122 HydrophobicContact SD-CG1 4.42Å; M56-V122 HydrophobicContact SD-CG2 4.25Å; I120-V122 HydrophobicContact CG2-CG1 3.94Å; V122-F146 HydrophobicContact CG1-CE1 4.49Å; V122-I147 HydrophobicContact CG2-CD1 3.84Å; V122-I147 HydrophobicContact CG2-CG1 3.98Å; V122-L150 HydrophobicContact CG1-CD1 4.41Å; V122-V157 HydrophobicContact CB-CG1 4.5Å; V122-V157 HydrophobicContact CG1-CG1 3.73Å; V122-V157 HydrophobicContact CG2-CG1 3.93Å; V122-Y158 PolarHBondContact N-O 3.45Å; V122-M159 HydrophobicContact CG2-CB 3.9Å; V122-M159 HydrophobicContact CG2-CG 4.2Å; V122-M159 WeakPolarHBondContact O-CA 3.37Å; V122-I160 PolarHBondContact O-N 3Å
123	Y	91	Very high	62.2	Low	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.9	170.1	65	-91.9	0	0	0	113.3	I53 V54 D55 M56 H66 I67 A70 I160 F164	I53-Y123 HydrophobicContact CG2-CD1 4.04Å; I53-Y123 HydrophobicContact CG2-CE1 3.61Å; V54-Y123 PolarHBondContact O-N 2.89Å; V54-Y123 VanDerWaalsContact O-N 3.07Å; D55-Y123 HydrophobicContact CB-CE1 4.12Å; D55-Y123 HydrophobicContact CB-CE2 3.96Å; D55-Y123 WeakPolarHBondContact CB-OH 3.21Å; D55-Y123 VanDerWaalsContact CG-CE2 3.41Å; D55-Y123 WeakPolarHBondContact OD2-CE2 3.36Å; D55-Y123 PolarHBondContact OD2-OH 2.99Å; D55-Y123 VanDerWaalsContact OD2-OH 3.09Å; M56-Y123 WeakPolarHBondContact CB-O 3.21Å; M56-Y123 PolarHBondContact N-O 3.34Å; H66-Y123 WeakPolarHBondContact CB-OH 3.26Å; I67-Y123 HydrophobicContact CB-CE1 4.06Å; I67-Y123 HydrophobicContact CD1-CD1 3.81Å; I67-Y123 HydrophobicContact CD1-CE1 3.63Å; I67-Y123 HydrophobicContact CD1-CG 4.39Å; I67-Y123 HydrophobicContact CG1-CD1 4.45Å; I67-Y123 HydrophobicContact CG1-CE1 3.79Å; I67-Y123 HydrophobicContact CG1-CE2 4.45Å; I67-Y123 PolarHBondContact N-OH 3.37Å; A70-Y123 HydrophobicContact CB-CE1 3.97Å; A70-Y123 WeakPolarHBondContact CB-OH 3.19Å; Y123-I160 HydrophobicContact CD1-CD1 3.94Å; Y123-I160 HydrophobicContact CG-CD1 4.21Å; Y123-F164 HydrophobicContact CD2-CB 3.78Å; Y123-F164 HydrophobicContact CD2-CD2 4.33Å; Y123-F164 HydrophobicContact CD2-CG 4.49Å; Y123-F164 HydrophobicContact CE2-CB 3.88Å; Y123-F164 AromaticContact CE2-CD2 3.69Å; Y123-F164 HydrophobicContact CE2-CD2 3.69Å; Y123-F164 HydrophobicContact CE2-CG 4.11Å
124	D	88.1	Confident	62.3	Low	9 Å²	9	55.5 Å²	55.5	5%	0.048	31%	0.313	C	S	.	.			trans	-106.4	-163.2	167.5	75.1	20.6	0	0	0	109.8	M56 R126 S127 R141 E143 M159 F164	M56-D124 HydrophobicContact CE-CB 4.32Å; D124-R126 PolarHBondContact OD1-N 3.22Å; D124-S127 WeakPolarHBondContact OD1-CA 3.27Å; D124-S127 PolarHBondContact OD1-N 3.11Å; D124-S127 PolarHBondContact OD1-OG 3.31Å; D124-R141 IonicContact OD2-CZ 3.85Å; D124-R141 IonicContact OD2-NH1 3.92Å; D124-R141 IonicContact OD2-NH2 2.9Å; D124-R141 PolarHBondContact OD2-NH2 2.86Å; D124-E143 HydrophobicContact CB-CG 4.34Å; D124-M159 HydrophobicContact CB-CE 4.44Å; D124-M159 WeakPolarHBondContact OD2-CE 3.23Å; D124-F164 WeakPolarHBondContact O-CB 3.46Å; D124-F164 PolarHBondContact O-N 2.97Å
125	Q	88	Confident	62.8	Low	42 Å²	42	60.3 Å²	60.3	20%	0.196	33%	0.333	C	S	.	.	S	Bend	trans	-75.1	-31.8	179.9	-172.7	58.7	36.6	0	0	115.2	R57 L61 E165	R57-Q125 HydrophobicContact CG-CB 4.39Å; L61-Q125 HydrophobicContact CD1-CB 4.44Å; L61-Q125 HydrophobicContact CD1-CG 4.44Å; Q125-E165 PolarHBondContact NE2-OE2 3.27Å; Q125-E165 WeakPolarHBondContact O-CB 3.33Å; Q125-E165 PolarHBondContact O-N 2.77Å; Q125-E165 VanDerWaalsContact O-N 3.12Å
126	R	84	Confident	63.2	Low	177 Å²	177	66 Å²	66	67%	0.668	35%	0.354	S	S	*	.	S	Bend	trans	-150.2	-6.3	-169.1	-73.8	-169.4	-179.4	121.4	2.1	117	D124 G162 E165	D124-R126 PolarHBondContact OD1-N 3.22Å; R126-G162 VanDerWaalsContact C-C 3.5Å; R126-G162 CarbonylContact C-O 3.34Å; R126-G162 WeakPolarHBondContact CA-O 3.38Å; R126-G162 CarbonylContact O-C 3.47Å; R126-E165 HydrophobicContact CG-CB 4.21Å
127	S	74.4	Confident	63.3	Low	9 Å²	9	68.5 Å²	68.5	6%	0.063	37%	0.365	C	S	.	.			trans	39.6	75.2	-179	-62.5	0	0	0	0	114.6	D124 F129 M159 I160 G163	D124-S127 WeakPolarHBondContact OD1-CA 3.27Å; D124-S127 PolarHBondContact OD1-N 3.11Å; D124-S127 PolarHBondContact OD1-OG 3.31Å; S127-F129 PolarHBondContact O-N 2.95Å; S127-M159 VanDerWaalsContact OG-CE 3.28Å; S127-M159 WeakPolarHBondContact OG-CE 3.38Å; S127-I160 WeakPolarHBondContact CB-O 3.38Å; S127-I160 PolarHBondContact OG-O 2.84Å; S127-G163 VanDerWaalsContact OG-CA 3.28Å; S127-G163 WeakPolarHBondContact OG-CA 3.5Å; S127-G163 PolarHBondContact OG-N 3.17Å; S127-G163 VanDerWaalsContact OG-N 3.11Å
128	N	61.6	Low	63	Low	120 Å²	120	73.5 Å²	73.5	64%	0.642	39%	0.387	S	S	*	.			trans	-76.6	91	174.6	-163.3	-6.7	0	0	0	110.8	A130	N128-A130 PolarHBondContact O-N 3.13Å
129	F	54.1	Low	62.4	Low	103 Å²	103	81.1 Å²	81.1	45%	0.452	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23	-170	-177	-102.5	0	0	0	114.9	M29 S127 A131 I132	M29-F129 HydrophobicContact CE-CD2 4.21Å; M29-F129 HydrophobicContact CG-CD2 4.15Å; M29-F129 HydrophobicContact CG-CE2 3.74Å; M29-F129 HydrophobicContact SD-CD2 3.95Å; M29-F129 HydrophobicContact SD-CE2 4Å; S127-F129 PolarHBondContact O-N 2.95Å; F129-A131 PolarHBondContact O-N 2.89Å; F129-I132 HydrophobicContact CD2-CD1 4.44Å; F129-I132 PolarHBondContact O-N 2.77Å
130	A	48.3	Very low	61.6	Low	79 Å²	79	83.1 Å²	83.1	65%	0.653	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-57.9	-9.7	-177.8	0	0	0	0	0	115.2	N128	N128-A130 PolarHBondContact O-N 3.13Å
131	A	46.1	Very low	61.2	Low	47 Å²	47	86.4 Å²	86.4	39%	0.388	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-109.2	1	179.7	0	0	0	0	0	115.2	F129	F129-A131 PolarHBondContact O-N 2.89Å
132	I	48.7	Very low	60.5	Low	36 Å²	36	86.6 Å²	86.6	19%	0.185	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-33.8	-176.8	-60.3	-179.5	0	0	0	112.2	F129 T134 M159	F129-I132 HydrophobicContact CD2-CD1 4.44Å; F129-I132 PolarHBondContact O-N 2.77Å; I132-T134 VanDerWaalsContact C-N 3.26Å; I132-T134 PolarHBondContact O-N 3.09Å; I132-M159 HydrophobicContact CD1-CE 4.42Å; I132-M159 HydrophobicContact CD1-SD 3.81Å
133	S	47	Very low	59.8	Low	91 Å²	91	88.1 Å²	88.1	64%	0.636	45%	0.447	S	S	*	.	S	Bend	trans	-67.7	-24.7	176.7	54.4	0	0	0	0	113.4	L135	S133-L135 PolarHBondContact O-N 3.31Å
134	T	42.5	Very low	59.2	Low	80 Å²	80	90.8 Å²	90.8	49%	0.491	46%	0.461	S	S	.	.			trans	-95.4	59.4	-179.5	42.8	0	0	0	0	112.2	I132 K136 D137	I132-T134 VanDerWaalsContact C-N 3.26Å; I132-T134 PolarHBondContact O-N 3.09Å; T134-K136 PolarHBondContact O-N 3.01Å; T134-D137 PolarHBondContact O-N 3.25Å
135	L	46.6	Very low	58.6	Low	154 Å²	154	93.5 Å²	93.5	81%	0.806	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	9.4	-177.6	-121.9	128.7	0	0	0	116.8	S133	S133-L135 PolarHBondContact O-N 3.31Å
136	K	42.4	Very low	58.2	Low	204 Å²	204	91.6 Å²	91.6	89%	0.887	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-11.1	-177.3	-69.2	-174.5	175.9	-180	0	114.5	T134	T134-K136 PolarHBondContact O-N 3.01Å
137	D	41.5	Very low	58.1	Low	134 Å²	134	83.6 Å²	83.6	72%	0.717	44%	0.435	S	S	*	.			trans	-85.7	129.3	-169.4	-124.5	-34.9	0	0	0	114.2	T134 K139	T134-D137 PolarHBondContact O-N 3.25Å; D137-K139 VanDerWaalsContact C-N 3.28Å; D137-K139 PolarHBondContact O-N 3.47Å; D137-K139 VanDerWaalsContact O-N 3.11Å
138	K	40.6	Very low	58	Low	195 Å²	195	85.8 Å²	85.8	85%	0.848	45%	0.45	S	S	*	.	S	Bend	trans	-74	-5.8	-160.3	-71.7	-179.3	178.1	176.1	0	115.8	V140	K138-V140 PolarHBondContact O-N 3.14Å
139	K	41.9	Very low	58.3	Low	204 Å²	204	80.8 Å²	80.8	89%	0.887	43%	0.425	S	S	*	.	S	Bend	trans	-81.9	67.5	170.8	-96.7	-176	175	176.1	0	110.4	D137 R141	D137-K139 VanDerWaalsContact C-N 3.28Å; D137-K139 PolarHBondContact O-N 3.47Å; D137-K139 VanDerWaalsContact O-N 3.11Å; K139-R141 PolarHBondContact O-N 3.23Å
140	V	52.4	Low	59.2	Low	58 Å²	58	75.9 Å²	75.9	35%	0.352	40%	0.404	S	S	.	.			trans	-64.7	107.7	-174.8	-165	0	0	0	0	110.8	K138 L144 H145	K138-V140 PolarHBondContact O-N 3.14Å; V140-L144 HydrophobicContact CG1-CB 4.09Å; V140-H145 WeakPolarHBondContact CB-NE2 3.43Å; V140-H145 VanDerWaalsContact CG1-CD2 3.43Å; V140-H145 WeakPolarHBondContact CG1-CD2 3.41Å; V140-H145 WeakPolarHBondContact CG1-NE2 3.44Å; V140-H145 VanDerWaalsContact CG2-NE2 3.25Å; V140-H145 WeakPolarHBondContact CG2-NE2 3.47Å
141	R	69.9	Low	60.4	Low	70 Å²	70	72.9 Å²	72.9	26%	0.264	38%	0.377	S	S	.	.			trans	-52.4	146.8	170.5	-83.5	-173.9	68.7	-177.3	3.9	111.1	D124 K139 E143 L144 H145	D124-R141 IonicContact OD2-CZ 3.85Å; D124-R141 IonicContact OD2-NH1 3.92Å; D124-R141 IonicContact OD2-NH2 2.9Å; D124-R141 PolarHBondContact OD2-NH2 2.86Å; K139-R141 PolarHBondContact O-N 3.23Å; R141-E143 VanDerWaalsContact C-N 3.29Å; R141-E143 WeakPolarHBondContact CB-OE2 3.26Å; R141-E143 IonicContact CZ-OE1 3.81Å; R141-E143 IonicContact CZ-OE2 3.54Å; R141-E143 IonicContact NE-OE1 3.22Å; R141-E143 IonicContact NE-OE2 3.55Å; R141-E143 PolarHBondContact NE-OE2 3.15Å; R141-E143 VanDerWaalsContact NH2-CD 3.26Å; R141-E143 IonicContact NH2-OE1 2.7Å; R141-E143 PolarHBondContact NH2-OE1 2.91Å; R141-E143 IonicContact NH2-OE2 2.69Å; R141-E143 PolarHBondContact O-N 3.26Å; R141-L144 HydrophobicContact CB-CB 4.48Å; R141-L144 HydrophobicContact CB-CD1 3.97Å; R141-L144 HydrophobicContact CB-CG 3.96Å; R141-L144 WeakPolarHBondContact O-CB 3.1Å; R141-L144 PolarHBondContact O-N 2.7Å; R141-H145 PolarHBondContact O-N 3.15Å
142	A	72.1	Confident	61.2	Low	7 Å²	7	76 Å²	76	6%	0.058	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-36.9	-175.9	0	0	0	0	0	112.1	C75 Y76 T77 A81 L144 H145 F146	C75-A142 WeakPolarHBondContact O-CB 3.36Å; Y76-A142 WeakPolarHBondContact O-CB 3.35Å; T77-A142 VanDerWaalsContact CA-CB 3.44Å; A81-A142 VanDerWaalsContact CB-O 3.22Å; A81-A142 WeakPolarHBondContact CB-O 3.24Å; A142-L144 VanDerWaalsContact C-N 3.28Å; A142-L144 PolarHBondContact O-N 2.88Å; A142-H145 WeakPolarHBondContact O-CB 3.27Å; A142-H145 PolarHBondContact O-N 3.03Å; A142-F146 PolarHBondContact O-N 3.07Å
143	E	75.5	Confident	61.8	Low	31 Å²	31	79.3 Å²	79.3	15%	0.145	40%	0.397	C	S	.	.	H	α-helix	trans	-60.5	-38	175.8	-52.7	94.6	141.9	0	0	111.2	M56 D124 R141 F146 I147	M56-E143 HydrophobicContact CB-CG 4.24Å; M56-E143 HydrophobicContact CE-CB 3.83Å; M56-E143 HydrophobicContact CE-CG 3.99Å; M56-E143 HydrophobicContact SD-CB 3.81Å; M56-E143 HydrophobicContact SD-CG 4.17Å; D124-E143 HydrophobicContact CB-CG 4.34Å; R141-E143 VanDerWaalsContact C-N 3.29Å; R141-E143 WeakPolarHBondContact CB-OE2 3.26Å; R141-E143 IonicContact CZ-OE1 3.81Å; R141-E143 IonicContact CZ-OE2 3.54Å; R141-E143 IonicContact NE-OE1 3.22Å; R141-E143 IonicContact NE-OE2 3.55Å; R141-E143 PolarHBondContact NE-OE2 3.15Å; R141-E143 VanDerWaalsContact NH2-CD 3.26Å; R141-E143 IonicContact NH2-OE1 2.7Å; R141-E143 PolarHBondContact NH2-OE1 2.91Å; R141-E143 IonicContact NH2-OE2 2.69Å; R141-E143 PolarHBondContact O-N 3.26Å; E143-F146 PolarHBondContact O-N 3.4Å; E143-I147 WeakPolarHBondContact O-CB 3.35Å; E143-I147 VanDerWaalsContact O-CG1 3.23Å; E143-I147 WeakPolarHBondContact O-CG1 2.97Å; E143-I147 PolarHBondContact O-N 3.01Å
144	L	76.8	Confident	62.6	Low	56 Å²	56	78 Å²	78	29%	0.293	40%	0.398	S	S	.	.	H	α-helix	trans	-66.5	-37.4	176.7	-64.2	176.4	0	0	0	112.3	V140 R141 A142 F146 S148	V140-L144 HydrophobicContact CG1-CB 4.09Å; R141-L144 HydrophobicContact CB-CB 4.48Å; R141-L144 HydrophobicContact CB-CD1 3.97Å; R141-L144 HydrophobicContact CB-CG 3.96Å; R141-L144 WeakPolarHBondContact O-CB 3.1Å; R141-L144 PolarHBondContact O-N 2.7Å; A142-L144 VanDerWaalsContact C-N 3.28Å; A142-L144 PolarHBondContact O-N 2.88Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-S148 WeakPolarHBondContact O-CB 3.29Å; L144-S148 PolarHBondContact O-N 3.42Å
145	H	77.3	Confident	63.9	Low	67 Å²	67	74.8 Å²	74.8	31%	0.31	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-40.8	174	-83.4	-70.6	0	0	0	111.8	A81 V140 R141 A142 A149	A81-H145 HydrophobicContact CB-CB 3.87Å; V140-H145 WeakPolarHBondContact CB-NE2 3.43Å; V140-H145 VanDerWaalsContact CG1-CD2 3.43Å; V140-H145 WeakPolarHBondContact CG1-CD2 3.41Å; V140-H145 WeakPolarHBondContact CG1-NE2 3.44Å; V140-H145 VanDerWaalsContact CG2-NE2 3.25Å; V140-H145 WeakPolarHBondContact CG2-NE2 3.47Å; R141-H145 PolarHBondContact O-N 3.15Å; A142-H145 WeakPolarHBondContact O-CB 3.27Å; A142-H145 PolarHBondContact O-N 3.03Å; H145-A149 WeakPolarHBondContact O-CB 3.31Å; H145-A149 PolarHBondContact O-N 2.93Å
146	F	78.2	Confident	64.9	Low	1 Å²	1	71.1 Å²	71.1	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-69.8	-47.5	178	-173.3	-100.4	0	0	0	111.4	V54 M56 A73 C75 A81 A84 I85 W88 V122 A142 E143 L144 A149 L150	V54-F146 HydrophobicContact CG1-CE1 3.82Å; V54-F146 HydrophobicContact CG1-CZ 4.03Å; M56-F146 HydrophobicContact CG-CD1 4.38Å; M56-F146 HydrophobicContact SD-CD1 4.15Å; A73-F146 HydrophobicContact CB-CE1 4.34Å; A73-F146 HydrophobicContact CB-CE2 4.12Å; A73-F146 HydrophobicContact CB-CZ 3.95Å; C75-F146 HydrophobicContact CB-CB 4.37Å; C75-F146 HydrophobicContact CB-CD2 4.33Å; C75-F146 HydrophobicContact CB-CG 4.39Å; A81-F146 HydrophobicContact CB-CB 4.26Å; A84-F146 HydrophobicContact CB-CD2 3.81Å; A84-F146 HydrophobicContact CB-CE2 3.74Å; I85-F146 HydrophobicContact CD1-CD2 3.53Å; I85-F146 HydrophobicContact CD1-CE2 3.66Å; I85-F146 HydrophobicContact CD1-CG 4.23Å; I85-F146 HydrophobicContact CD1-CZ 4.46Å; I85-F146 HydrophobicContact CG1-CD2 3.73Å; I85-F146 HydrophobicContact CG1-CE2 4.15Å; W88-F146 HydrophobicContact CE3-CZ 4.12Å; V122-F146 HydrophobicContact CG1-CE1 4.49Å; A142-F146 PolarHBondContact O-N 3.07Å; E143-F146 PolarHBondContact O-N 3.4Å; L144-F146 VanDerWaalsContact C-N 3.34Å; F146-A149 PolarHBondContact O-N 3.02Å; F146-L150 HydrophobicContact CD1-CD1 3.93Å; F146-L150 HydrophobicContact CE1-CD1 3.46Å; F146-L150 VanDerWaalsContact CE1-CD1 3.46Å; F146-L150 HydrophobicContact CE1-CG 4.24Å; F146-L150 HydrophobicContact CZ-CD1 3.99Å; F146-L150 HydrophobicContact CZ-CG 4.43Å; F146-L150 WeakPolarHBondContact O-CG 3.42Å; F146-L150 PolarHBondContact O-N 2.93Å; F146-L150 VanDerWaalsContact O-N 3.13Å
147	I	81.4	Confident	66.6	Low	9 Å²	9	61.5 Å²	61.5	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-46.9	178.9	-70	168.1	0	0	0	111.6	C27 M56 V122 E143 A149 L150 L151 V157 M159	C27-I147 HydrophobicContact CB-CG2 3.64Å; M56-I147 HydrophobicContact CE-CD1 4.09Å; M56-I147 HydrophobicContact SD-CD1 4.11Å; M56-I147 HydrophobicContact SD-CG1 4.1Å; V122-I147 HydrophobicContact CG2-CD1 3.84Å; V122-I147 HydrophobicContact CG2-CG1 3.98Å; E143-I147 WeakPolarHBondContact O-CB 3.35Å; E143-I147 VanDerWaalsContact O-CG1 3.23Å; E143-I147 WeakPolarHBondContact O-CG1 2.97Å; E143-I147 PolarHBondContact O-N 3.01Å; I147-A149 PolarHBondContact O-N 3Å; I147-L150 PolarHBondContact O-N 3.13Å; I147-L151 HydrophobicContact CG2-CD1 3.75Å; I147-L151 HydrophobicContact CG2-CG 4.39Å; I147-L151 WeakPolarHBondContact O-CG 3.12Å; I147-L151 PolarHBondContact O-N 3.3Å; I147-V157 HydrophobicContact CG1-CG1 4.49Å; I147-V157 HydrophobicContact CG2-CG1 4.36Å; I147-M159 HydrophobicContact CD1-SD 4.02Å
148	S	73.1	Confident	68.7	Low	56 Å²	56	57 Å²	57	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-55.9	-51.6	176.9	-171.2	0	0	0	0	110.4	L144 L150 L151 D152	L144-S148 WeakPolarHBondContact O-CB 3.29Å; L144-S148 PolarHBondContact O-N 3.42Å; S148-L150 PolarHBondContact O-N 2.92Å; S148-L151 CarbonylContact O-C 3.59Å; S148-L151 WeakPolarHBondContact O-CA 3.49Å; S148-L151 WeakPolarHBondContact O-CB 3.43Å; S148-L151 PolarHBondContact O-N 3.14Å; S148-D152 VanDerWaalsContact C-OD2 3.27Å; S148-D152 WeakPolarHBondContact O-CB 3.33Å; S148-D152 PolarHBondContact O-N 2.81Å; S148-D152 PolarHBondContact OG-OD2 2.96Å
149	A	68.4	Low	70.9	Confident	14 Å²	14	48 Å²	48	12%	0.116	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-26.3	-177.5	0	0	0	0	0	114	I85 H145 F146 I147 R153	I85-A149 HydrophobicContact CB-CB 4.43Å; I85-A149 HydrophobicContact CD1-CB 3.5Å; I85-A149 VanDerWaalsContact CD1-CB 3.5Å; I85-A149 HydrophobicContact CG1-CB 3.57Å; I85-A149 HydrophobicContact CG2-CB 4.07Å; H145-A149 WeakPolarHBondContact O-CB 3.31Å; H145-A149 PolarHBondContact O-N 2.93Å; F146-A149 PolarHBondContact O-N 3.02Å; I147-A149 PolarHBondContact O-N 3Å; A149-R153 WeakPolarHBondContact O-CD 3.27Å; A149-R153 VanDerWaalsContact O-CG 3.28Å; A149-R153 WeakPolarHBondContact O-CG 3.42Å; A149-R153 PolarHBondContact O-N 2.82Å; A149-R153 PolarHBondContact O-NH1 3.13Å
150	L	72.3	Confident	73.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.5	-42.9	170.3	-70.5	178.5	0	0	0	112.3	I85 W88 I120 V122 F146 I147 S148 R153 N155 V157	I85-L150 HydrophobicContact CD1-CD2 4.15Å; I85-L150 HydrophobicContact CD1-CG 4.13Å; W88-L150 HydrophobicContact CD2-CD2 3.72Å; W88-L150 VanDerWaalsContact CE2-CD2 3.42Å; W88-L150 HydrophobicContact CE3-CD2 4.4Å; W88-L150 HydrophobicContact CG-CD2 3.95Å; W88-L150 HydrophobicContact CH2-CD2 4.48Å; W88-L150 HydrophobicContact CZ2-CD2 3.88Å; I120-L150 HydrophobicContact CD1-CB 4.44Å; I120-L150 HydrophobicContact CD1-CD1 3.89Å; I120-L150 HydrophobicContact CD1-CD2 3.95Å; I120-L150 HydrophobicContact CD1-CG 4.33Å; I120-L150 HydrophobicContact CG2-CD1 4.17Å; V122-L150 HydrophobicContact CG1-CD1 4.41Å; F146-L150 HydrophobicContact CD1-CD1 3.93Å; F146-L150 HydrophobicContact CE1-CD1 3.46Å; F146-L150 VanDerWaalsContact CE1-CD1 3.46Å; F146-L150 HydrophobicContact CE1-CG 4.24Å; F146-L150 HydrophobicContact CZ-CD1 3.99Å; F146-L150 HydrophobicContact CZ-CG 4.43Å; F146-L150 WeakPolarHBondContact O-CG 3.42Å; F146-L150 PolarHBondContact O-N 2.93Å; F146-L150 VanDerWaalsContact O-N 3.13Å; I147-L150 PolarHBondContact O-N 3.13Å; S148-L150 PolarHBondContact O-N 2.92Å; L150-R153 WeakPolarHBondContact O-CB 3.41Å; L150-R153 PolarHBondContact O-N 3.28Å; L150-N155 HydrophobicContact CB-CB 4.42Å; L150-N155 VanDerWaalsContact O-CB 3.27Å; L150-N155 WeakPolarHBondContact O-CB 3.26Å; L150-N155 PolarHBondContact O-N 3.08Å; L150-N155 VanDerWaalsContact O-N 3.08Å; L150-N155 PolarHBondContact O-ND2 3.45Å; L150-V157 HydrophobicContact CB-CG2 3.65Å; L150-V157 HydrophobicContact CD1-CG2 4.24Å
151	L	72.9	Confident	74.8	Confident	17 Å²	17	38.9 Å²	38.9	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-43.1	174.9	-67.3	165.3	0	0	0	110.9	N25 C27 I147 S148 R153 G154 V157	N25-L151 VanDerWaalsContact ND2-C 3.3Å; N25-L151 PolarHBondContact ND2-O 3.21Å; N25-L151 PolarHBondContact OD1-O 2.93Å; C27-L151 HydrophobicContact CB-CD1 4.23Å; I147-L151 HydrophobicContact CG2-CD1 3.75Å; I147-L151 HydrophobicContact CG2-CG 4.39Å; I147-L151 WeakPolarHBondContact O-CG 3.12Å; I147-L151 PolarHBondContact O-N 3.3Å; S148-L151 CarbonylContact O-C 3.59Å; S148-L151 WeakPolarHBondContact O-CA 3.49Å; S148-L151 WeakPolarHBondContact O-CB 3.43Å; S148-L151 PolarHBondContact O-N 3.14Å; L151-R153 PolarHBondContact O-N 3.04Å; L151-R153 VanDerWaalsContact O-N 3.12Å; L151-G154 WeakPolarHBondContact O-CA 3.5Å; L151-G154 PolarHBondContact O-N 3.07Å; L151-V157 HydrophobicContact CD2-CB 4.09Å; L151-V157 HydrophobicContact CD2-CG2 3.91Å; L151-V157 HydrophobicContact CG-CB 4.46Å; L151-V157 HydrophobicContact CG-CG2 4.05Å
152	D	63.2	Low	75.7	Confident	113 Å²	113	36.5 Å²	36.5	60%	0.604	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.7	175.7	-61.8	-34.3	0	0	0	112.3	S148 G154	S148-D152 VanDerWaalsContact C-OD2 3.27Å; S148-D152 WeakPolarHBondContact O-CB 3.33Å; S148-D152 PolarHBondContact O-N 2.81Å; S148-D152 PolarHBondContact OG-OD2 2.96Å; D152-G154 VanDerWaalsContact C-N 3.32Å
153	R	62.5	Low	76.6	Confident	105 Å²	105	36.2 Å²	36.2	40%	0.396	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	10	174	-71.7	162.9	175.5	57.1	9.8	113.6	I85 D89 A149 L150 L151 N155	I85-R153 VanDerWaalsContact CG2-CZ 3.47Å; D89-R153 WeakPolarHBondContact OD1-CD 3.42Å; D89-R153 IonicContact OD1-CZ 3.44Å; D89-R153 IonicContact OD1-NE 3.57Å; D89-R153 PolarHBondContact OD1-NE 2.92Å; D89-R153 IonicContact OD1-NH2 3.39Å; D89-R153 IonicContact OD2-CZ 3.54Å; D89-R153 IonicContact OD2-NE 3.81Å; D89-R153 PolarHBondContact OD2-NE 3.12Å; D89-R153 IonicContact OD2-NH2 2.8Å; D89-R153 PolarHBondContact OD2-NH2 3.06Å; A149-R153 WeakPolarHBondContact O-CD 3.27Å; A149-R153 VanDerWaalsContact O-CG 3.28Å; A149-R153 WeakPolarHBondContact O-CG 3.42Å; A149-R153 PolarHBondContact O-N 2.82Å; A149-R153 PolarHBondContact O-NH1 3.13Å; L150-R153 WeakPolarHBondContact O-CB 3.41Å; L150-R153 PolarHBondContact O-N 3.28Å; L151-R153 PolarHBondContact O-N 3.04Å; L151-R153 VanDerWaalsContact O-N 3.12Å; R153-N155 VanDerWaalsContact C-N 3.27Å; R153-N155 VanDerWaalsContact CB-ND2 3.26Å; R153-N155 WeakPolarHBondContact CB-ND2 3.36Å; R153-N155 PolarHBondContact O-N 3.34Å
154	G	64.1	Low	77.5	Confident	63 Å²	63	35 Å²	35	65%	0.649	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	13.1	-178	0	0	0	0	0	114.8	L151 D152	L151-G154 WeakPolarHBondContact O-CA 3.5Å; L151-G154 PolarHBondContact O-N 3.07Å; D152-G154 VanDerWaalsContact C-N 3.32Å
155	N	69.7	Low	78.2	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.07	19%	0.191	C	C	.	.			trans	-76.8	142.6	179	-62.4	-88.2	0	0	0	111.2	I120 L150 R153 V157	I120-N155 HydrophobicContact CD1-CB 3.45Å; I120-N155 VanDerWaalsContact CD1-CB 3.45Å; I120-N155 HydrophobicContact CG1-CB 4.33Å; L150-N155 HydrophobicContact CB-CB 4.42Å; L150-N155 VanDerWaalsContact O-CB 3.27Å; L150-N155 WeakPolarHBondContact O-CB 3.26Å; L150-N155 PolarHBondContact O-N 3.08Å; L150-N155 VanDerWaalsContact O-N 3.08Å; L150-N155 PolarHBondContact O-ND2 3.45Å; R153-N155 VanDerWaalsContact C-N 3.27Å; R153-N155 VanDerWaalsContact CB-ND2 3.26Å; R153-N155 WeakPolarHBondContact CB-ND2 3.36Å; R153-N155 PolarHBondContact O-N 3.34Å; N155-V157 HydrophobicContact CB-CG2 4.32Å; N155-V157 PolarHBondContact O-N 3.49Å
156	R	67.3	Low	79	Confident	76 Å²	76	32.8 Å²	32.8	29%	0.287	19%	0.187	S	C	.	.			trans	-83.8	107.9	171.3	-62.6	-167.4	-70.5	-172.7	0.6	110	I113 V116 I120 Y158	I113-R156 PolarHBondContact O-NH1 2.94Å; I113-R156 VanDerWaalsContact O-NH1 3.16Å; I113-R156 PolarHBondContact O-NH2 3.42Å; I113-R156 VanDerWaalsContact O-NH2 3.09Å; V116-R156 PolarHBondContact O-NH2 3.31Å; I120-R156 PolarHBondContact N-O 3.07Å; R156-Y158 HydrophobicContact CB-CE2 4.01Å
157	V	78.7	Confident	79.8	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.5	-175.4	-166.2	0	0	0	0	110.8	C27 G28 I120 V122 I147 L150 L151 N155	C27-V157 WeakPolarHBondContact CA-O 3.27Å; G28-V157 PolarHBondContact N-O 3.43Å; I120-V157 HydrophobicContact CD1-CG2 4.48Å; I120-V157 CarbonylContact O-C 3.44Å; I120-V157 WeakPolarHBondContact O-CA 3.24Å; V122-V157 HydrophobicContact CB-CG1 4.5Å; V122-V157 HydrophobicContact CG1-CG1 3.73Å; V122-V157 HydrophobicContact CG2-CG1 3.93Å; I147-V157 HydrophobicContact CG1-CG1 4.49Å; I147-V157 HydrophobicContact CG2-CG1 4.36Å; L150-V157 HydrophobicContact CB-CG2 3.65Å; L150-V157 HydrophobicContact CD1-CG2 4.24Å; L151-V157 HydrophobicContact CD2-CB 4.09Å; L151-V157 HydrophobicContact CD2-CG2 3.91Å; L151-V157 HydrophobicContact CG-CB 4.46Å; L151-V157 HydrophobicContact CG-CG2 4.05Å; N155-V157 HydrophobicContact CB-CG2 4.32Å; N155-V157 PolarHBondContact O-N 3.49Å
158	Y	84.6	Confident	80.3	Confident	41 Å²	41	39 Å²	39	16%	0.161	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.6	175.2	-59.6	-84.2	0	0	0	110.5	G28 I113 A119 I120 V121 V122 R156	G28-Y158 CarbonylContact O-C 3.45Å; G28-Y158 WeakPolarHBondContact O-CA 3.43Å; I113-Y158 WeakPolarHBondContact CD1-OH 3.46Å; I113-Y158 WeakPolarHBondContact CG1-OH 3.46Å; I113-Y158 HydrophobicContact CG2-CE1 4.29Å; I113-Y158 HydrophobicContact CG2-CE2 4.33Å; I113-Y158 WeakPolarHBondContact CG2-OH 3.29Å; A119-Y158 HydrophobicContact CB-CD2 4.28Å; A119-Y158 HydrophobicContact CB-CE2 4.1Å; I120-Y158 PolarHBondContact O-N 2.86Å; V121-Y158 CarbonylContact C-O 3.55Å; V121-Y158 VanDerWaalsContact CA-O 3.29Å; V121-Y158 WeakPolarHBondContact CA-O 3.4Å; V122-Y158 PolarHBondContact N-O 3.45Å; R156-Y158 HydrophobicContact CB-CE2 4.01Å
159	M	86.5	Confident	81.3	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132	175.8	-174.6	159.8	177.5	0	0	110.9	C27 G28 M29 V30 M56 V122 D124 S127 I132 I147 D161	C27-M159 PolarHBondContact SG-N 3.13Å; G28-M159 PolarHBondContact O-N 3.02Å; M29-M159 HydrophobicContact CE-CB 4.44Å; M29-M159 HydrophobicContact CE-CG 4.45Å; M29-M159 HydrophobicContact SD-CB 3.96Å; M29-M159 HydrophobicContact SD-CG 4.42Å; V30-M159 PolarHBondContact N-O 2.85Å; M56-M159 HydrophobicContact CE-CE 4.35Å; V122-M159 HydrophobicContact CG2-CB 3.9Å; V122-M159 HydrophobicContact CG2-CG 4.2Å; V122-M159 WeakPolarHBondContact O-CA 3.37Å; D124-M159 HydrophobicContact CB-CE 4.44Å; D124-M159 WeakPolarHBondContact OD2-CE 3.23Å; S127-M159 VanDerWaalsContact OG-CE 3.28Å; S127-M159 WeakPolarHBondContact OG-CE 3.38Å; I132-M159 HydrophobicContact CD1-CE 4.42Å; I132-M159 HydrophobicContact CD1-SD 3.81Å; I147-M159 HydrophobicContact CD1-SD 4.02Å; M159-D161 PolarHBondContact O-N 3.41Å
160	I	89.7	Confident	82.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.8	176.4	-60.3	-173.9	0	0	0	109.9	V30 S32 I35 I67 V121 V122 Y123 S127 G163	V30-I160 HydrophobicContact CG1-CG1 4.24Å; V30-I160 WeakPolarHBondContact O-CA 3.42Å; S32-I160 WeakPolarHBondContact OG-CG2 3.27Å; I35-I160 HydrophobicContact CG1-CD1 4.22Å; I35-I160 HydrophobicContact CG1-CG1 4.34Å; I67-I160 HydrophobicContact CD1-CD1 3.46Å; I67-I160 VanDerWaalsContact CD1-CD1 3.46Å; V121-I160 HydrophobicContact CG1-CD1 3.81Å; V121-I160 HydrophobicContact CG1-CG1 3.55Å; V122-I160 PolarHBondContact O-N 3Å; Y123-I160 HydrophobicContact CD1-CD1 3.94Å; Y123-I160 HydrophobicContact CG-CD1 4.21Å; S127-I160 WeakPolarHBondContact CB-O 3.38Å; S127-I160 PolarHBondContact OG-O 2.84Å; I160-G163 PolarHBondContact O-N 3.41Å; I160-G163 VanDerWaalsContact O-N 3.08Å
161	D	86.9	Confident	83.4	Confident	72 Å²	72	45.8 Å²	45.8	39%	0.385	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	132.4	174	-169.6	18.9	0	0	0	111	M29 V30 S32 M159 G163 A166	M29-D161 HydrophobicContact CE-CB 3.85Å; V30-D161 PolarHBondContact O-N 3.34Å; S32-D161 PolarHBondContact OG-O 3.19Å; M159-D161 PolarHBondContact O-N 3.41Å; D161-G163 PolarHBondContact O-N 2.89Å; D161-G163 VanDerWaalsContact O-N 3.15Å; D161-A166 WeakPolarHBondContact O-CB 3.4Å
162	G	88.3	Confident	84.1	Confident	20 Å²	20	49.3 Å²	49.3	21%	0.206	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	3.8	-167.8	0	0	0	0	0	116.4	R126 A166	R126-G162 VanDerWaalsContact C-C 3.5Å; R126-G162 CarbonylContact C-O 3.34Å; R126-G162 WeakPolarHBondContact CA-O 3.38Å; R126-G162 CarbonylContact O-C 3.47Å; G162-A166 WeakPolarHBondContact O-CB 3.45Å; G162-A166 PolarHBondContact O-N 3.27Å
163	G	91.5	Very high	85.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	63.6	-154	172.6	0	0	0	0	0	114.3	S127 I160 D161 E165 A166 F167	S127-G163 VanDerWaalsContact OG-CA 3.28Å; S127-G163 WeakPolarHBondContact OG-CA 3.5Å; S127-G163 PolarHBondContact OG-N 3.17Å; S127-G163 VanDerWaalsContact OG-N 3.11Å; I160-G163 PolarHBondContact O-N 3.41Å; I160-G163 VanDerWaalsContact O-N 3.08Å; D161-G163 PolarHBondContact O-N 2.89Å; D161-G163 VanDerWaalsContact O-N 3.15Å; G163-E165 VanDerWaalsContact C-N 3.32Å; G163-E165 PolarHBondContact O-N 3.06Å; G163-A166 PolarHBondContact O-N 3.04Å; G163-F167 PolarHBondContact O-N 2.74Å
164	F	93.5	Very high	86.5	Confident	5 Å²	5	49.1 Å²	49.1	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-35.7	-178.9	-174.9	-107.3	0	0	0	113.5	G65 I67 Y123 D124 F167 R168 I177	G65-F164 VanDerWaalsContact C-CZ 3.49Å; G65-F164 WeakPolarHBondContact O-CE1 3.23Å; G65-F164 WeakPolarHBondContact O-CZ 3.31Å; I67-F164 HydrophobicContact CG1-CD2 4Å; I67-F164 HydrophobicContact CG1-CE2 4.09Å; Y123-F164 HydrophobicContact CD2-CB 3.78Å; Y123-F164 HydrophobicContact CD2-CD2 4.33Å; Y123-F164 HydrophobicContact CD2-CG 4.49Å; Y123-F164 HydrophobicContact CE2-CB 3.88Å; Y123-F164 AromaticContact CE2-CD2 3.69Å; Y123-F164 HydrophobicContact CE2-CD2 3.69Å; Y123-F164 HydrophobicContact CE2-CG 4.11Å; D124-F164 WeakPolarHBondContact O-CB 3.46Å; D124-F164 PolarHBondContact O-N 2.97Å; F164-F167 PolarHBondContact O-N 3.34Å; F164-R168 HydrophobicContact CE1-CB 4.26Å; F164-R168 HydrophobicContact CZ-CB 4.44Å; F164-R168 VanDerWaalsContact O-CB 3.3Å; F164-R168 WeakPolarHBondContact O-CB 3.2Å; F164-R168 PolarHBondContact O-N 3.36Å; F164-I177 HydrophobicContact CE2-CD1 4.38Å; F164-I177 HydrophobicContact CE2-CG1 4.22Å; F164-I177 HydrophobicContact CZ-CD1 4.07Å; F164-I177 HydrophobicContact CZ-CG1 4.2Å; F164-I177 HydrophobicContact CZ-CG2 4.11Å
165	E	93.1	Very high	87.5	Confident	51 Å²	51	51.3 Å²	51.3	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-40.2	-179.4	-160	67.5	-123.4	0	0	111.8	Q125 R126 G163 R168 S169	Q125-E165 PolarHBondContact NE2-OE2 3.27Å; Q125-E165 WeakPolarHBondContact O-CB 3.33Å; Q125-E165 PolarHBondContact O-N 2.77Å; Q125-E165 VanDerWaalsContact O-N 3.12Å; R126-E165 HydrophobicContact CG-CB 4.21Å; G163-E165 VanDerWaalsContact C-N 3.32Å; G163-E165 PolarHBondContact O-N 3.06Å; E165-R168 PolarHBondContact O-N 2.85Å; E165-R168 IonicContact OE1-CZ 3.72Å; E165-R168 VanDerWaalsContact OE1-CZ 3.22Å; E165-R168 IonicContact OE1-NE 2.69Å; E165-R168 PolarHBondContact OE1-NE 3.4Å; E165-R168 IonicContact OE1-NH2 3.89Å; E165-R168 PolarHBondContact OE1-NH2 2.89Å; E165-R168 IonicContact OE2-NH2 2.92Å; E165-S169 WeakPolarHBondContact O-CB 3.3Å; E165-S169 PolarHBondContact O-N 3.09Å; E165-S169 PolarHBondContact O-OG 3.49Å
166	A	92.8	Very high	88.4	Confident	27 Å²	27	51.1 Å²	51.1	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-49.1	172.8	0	0	0	0	0	111.1	D161 G162 G163 R168 S169 L170	D161-A166 WeakPolarHBondContact O-CB 3.4Å; G162-A166 WeakPolarHBondContact O-CB 3.45Å; G162-A166 PolarHBondContact O-N 3.27Å; G163-A166 PolarHBondContact O-N 3.04Å; A166-R168 VanDerWaalsContact C-N 3.32Å; A166-R168 PolarHBondContact O-N 2.95Å; A166-S169 PolarHBondContact O-N 3.49Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 2.89Å; A166-L170 PolarHBondContact O-N 2.98Å
167	F	94.3	Very high	89.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-44.3	175.9	-172.7	-86.9	0	0	0	112.6	S32 I35 L36 L39 I67 G163 F164 S169 L170 A173 F176 I177	S32-F167 PolarHBondContact OG-N 2.91Å; I35-F167 HydrophobicContact CB-CD2 4.5Å; I35-F167 HydrophobicContact CB-CE2 4.17Å; I35-F167 HydrophobicContact CG2-CE2 3.95Å; L36-F167 HydrophobicContact CB-CE2 3.91Å; L36-F167 HydrophobicContact CB-CZ 4.33Å; L36-F167 HydrophobicContact CD1-CE2 4.49Å; L36-F167 HydrophobicContact CD1-CZ 4.04Å; L39-F167 HydrophobicContact CD1-CE2 4.45Å; L39-F167 HydrophobicContact CD1-CZ 4.08Å; I67-F167 HydrophobicContact CB-CE1 4.38Å; I67-F167 HydrophobicContact CD1-CB 4.15Å; I67-F167 HydrophobicContact CD1-CD1 3.89Å; I67-F167 HydrophobicContact CD1-CD2 3.77Å; I67-F167 HydrophobicContact CD1-CE1 4.22Å; I67-F167 HydrophobicContact CD1-CE2 4.1Å; I67-F167 HydrophobicContact CD1-CG 3.65Å; I67-F167 HydrophobicContact CD1-CZ 4.32Å; I67-F167 HydrophobicContact CG1-CD1 3.69Å; I67-F167 HydrophobicContact CG1-CD2 4.43Å; I67-F167 HydrophobicContact CG1-CE1 3.84Å; I67-F167 HydrophobicContact CG1-CG 4Å; I67-F167 HydrophobicContact CG1-CZ 4.28Å; I67-F167 HydrophobicContact CG2-CE1 4.01Å; I67-F167 HydrophobicContact CG2-CE2 4.29Å; I67-F167 HydrophobicContact CG2-CZ 3.79Å; G163-F167 PolarHBondContact O-N 2.74Å; F164-F167 PolarHBondContact O-N 3.34Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 2.8Å; F167-L170 PolarHBondContact O-N 3.23Å; F167-A173 HydrophobicContact CD1-CB 4.28Å; F167-A173 HydrophobicContact CE1-CB 4.13Å; F167-A173 WeakPolarHBondContact O-CB 3.49Å; F167-F176 HydrophobicContact CE1-CB 4.42Å; F167-F176 HydrophobicContact CZ-CB 4.22Å; F167-I177 HydrophobicContact CD1-CD1 4.47Å; F167-I177 HydrophobicContact CD1-CG1 4.32Å; F167-I177 HydrophobicContact CE1-CG1 4.14Å
168	R	93.8	Very high	88.9	Confident	139 Å²	139	50.6 Å²	50.6	53%	0.525	26%	0.259	S	S	.	.	H	α-helix	trans	-67.2	-29.3	179.3	-174.4	175.9	84.4	133.5	6.7	113.8	F164 E165 A166 L170 I177	F164-R168 HydrophobicContact CE1-CB 4.26Å; F164-R168 HydrophobicContact CZ-CB 4.44Å; F164-R168 VanDerWaalsContact O-CB 3.3Å; F164-R168 WeakPolarHBondContact O-CB 3.2Å; F164-R168 PolarHBondContact O-N 3.36Å; E165-R168 PolarHBondContact O-N 2.85Å; E165-R168 IonicContact OE1-CZ 3.72Å; E165-R168 VanDerWaalsContact OE1-CZ 3.22Å; E165-R168 IonicContact OE1-NE 2.69Å; E165-R168 PolarHBondContact OE1-NE 3.4Å; E165-R168 IonicContact OE1-NH2 3.89Å; E165-R168 PolarHBondContact OE1-NH2 2.89Å; E165-R168 IonicContact OE2-NH2 2.92Å; A166-R168 VanDerWaalsContact C-N 3.32Å; A166-R168 PolarHBondContact O-N 2.95Å; R168-L170 VanDerWaalsContact C-N 3.28Å; R168-L170 PolarHBondContact O-N 3.45Å; R168-I177 HydrophobicContact CB-CD1 3.87Å; R168-I177 HydrophobicContact CG-CD1 3.69Å
169	S	93.8	Very high	88.2	Confident	91 Å²	91	56.2 Å²	56.2	64%	0.636	28%	0.28	S	S	*	.	H	α-helix	trans	-72.9	-17.9	178.4	73.7	0	0	0	0	113.9	E165 A166 F167	E165-S169 WeakPolarHBondContact O-CB 3.3Å; E165-S169 PolarHBondContact O-N 3.09Å; E165-S169 PolarHBondContact O-OG 3.49Å; A166-S169 PolarHBondContact O-N 3.49Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 2.89Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 2.8Å
170	L	94.4	Very high	86.5	Confident	26 Å²	26	59.9 Å²	59.9	14%	0.136	30%	0.3	C	S	.	.	S	Bend	trans	-67.3	145.4	-178.6	-64.3	-178.7	0	0	0	112.7	E33 L36 A166 F167 R168 D172 A173	E33-L170 HydrophobicContact CB-CD1 4.37Å; E33-L170 HydrophobicContact CG-CD1 3.93Å; E33-L170 HydrophobicContact CG-CD2 3.74Å; L36-L170 HydrophobicContact CB-CD1 4.25Å; L36-L170 HydrophobicContact CD2-CB 3.9Å; L36-L170 HydrophobicContact CD2-CD1 3.87Å; A166-L170 PolarHBondContact O-N 2.98Å; F167-L170 PolarHBondContact O-N 3.23Å; R168-L170 VanDerWaalsContact C-N 3.28Å; R168-L170 PolarHBondContact O-N 3.45Å; L170-D172 PolarHBondContact O-N 2.9Å; L170-A173 HydrophobicContact CB-CB 4.14Å; L170-A173 WeakPolarHBondContact O-CB 3.35Å; L170-A173 PolarHBondContact O-N 3.48Å
171	P	90.3	Very high	84.4	Confident	96 Å²	96	64.4 Å²	64.4	62%	0.623	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	135.2	167.2	-25.5	34.6	0	0	0	111.1	L36 A173	L36-P171 WeakPolarHBondContact CD2-O 3.37Å; P171-A173 PolarHBondContact O-N 3.36Å
172	D	86.5	Confident	81.8	Confident	92 Å²	92	61.5 Å²	61.5	49%	0.492	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	2.3	176.2	-40.1	-47.9	0	0	0	116.9	R40 L170 R174 D175	R40-D172 IonicContact CZ-OD2 3.65Å; R40-D172 IonicContact NH1-OD2 2.68Å; R40-D172 PolarHBondContact NH1-OD2 3Å; R40-D172 IonicContact NH2-OD2 3.32Å; R40-D172 PolarHBondContact NH2-OD2 3.22Å; L170-D172 PolarHBondContact O-N 2.9Å; D172-R174 PolarHBondContact O-N 3.27Å; D172-D175 PolarHBondContact O-N 3.43Å; D172-D175 VanDerWaalsContact O-N 3.16Å
173	A	88.6	Confident	79.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-59.3	-20.9	176	0	0	0	0	0	113.4	L36 F167 L170 P171 D175 F176 I177	L36-A173 HydrophobicContact CD1-CB 4.48Å; L36-A173 HydrophobicContact CD2-CB 4.3Å; F167-A173 HydrophobicContact CD1-CB 4.28Å; F167-A173 HydrophobicContact CE1-CB 4.13Å; F167-A173 WeakPolarHBondContact O-CB 3.49Å; L170-A173 HydrophobicContact CB-CB 4.14Å; L170-A173 WeakPolarHBondContact O-CB 3.35Å; L170-A173 PolarHBondContact O-N 3.48Å; P171-A173 PolarHBondContact O-N 3.36Å; A173-D175 PolarHBondContact O-N 3.27Å; A173-F176 CarbonylContact O-C 3.56Å; A173-F176 VanDerWaalsContact O-C 3.31Å; A173-F176 WeakPolarHBondContact O-CA 3.07Å; A173-F176 PolarHBondContact O-N 2.96Å; A173-I177 HydrophobicContact CB-CD1 4.44Å; A173-I177 WeakPolarHBondContact O-CG1 3.4Å; A173-I177 PolarHBondContact O-N 3.05Å; A173-I177 VanDerWaalsContact O-N 3.12Å
174	R	87.5	Confident	76.8	Confident	213 Å²	213	69.6 Å²	69.6	80%	0.804	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-52.8	-35.3	174.6	-65.8	-175.4	178.8	-171.2	1.4	113.2	D172 F176 I177	D172-R174 PolarHBondContact O-N 3.27Å; R174-F176 PolarHBondContact O-N 2.8Å; R174-I177 PolarHBondContact O-N 3.27Å
175	D	86.6	Confident	74.1	Confident	110 Å²	110	69.7 Å²	69.7	59%	0.588	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-75.2	-8.2	179.2	-92.3	31.4	0	0	0	114.2	K43 D172 A173	K43-D175 PolarHBondContact NZ-O 3.22Å; K43-D175 IonicContact NZ-OD2 3.17Å; D172-D175 PolarHBondContact O-N 3.43Å; D172-D175 VanDerWaalsContact O-N 3.16Å; A173-D175 PolarHBondContact O-N 3.27Å
176	F	86.8	Confident	70.9	Confident	9 Å²	9	70.8 Å²	70.8	4%	0.039	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-126.9	18.3	-178.3	-59.2	-86.6	0	0	0	111.3	L36 L39 R40 K43 L68 F167 A173 R174	L36-F176 HydrophobicContact CD1-CB 4.02Å; L36-F176 HydrophobicContact CD1-CD2 3.44Å; L36-F176 VanDerWaalsContact CD1-CD2 3.44Å; L36-F176 HydrophobicContact CD1-CE2 4.12Å; L36-F176 HydrophobicContact CD1-CG 3.81Å; L39-F176 HydrophobicContact CB-CD1 3.62Å; L39-F176 HydrophobicContact CB-CE1 3.95Å; L39-F176 HydrophobicContact CB-CG 4.4Å; L39-F176 HydrophobicContact CD1-CB 4.46Å; L39-F176 WeakPolarHBondContact O-CE1 3.47Å; R40-F176 HydrophobicContact CB-CZ 4.12Å; R40-F176 HydrophobicContact CG-CD2 4.43Å; R40-F176 HydrophobicContact CG-CE1 4.23Å; R40-F176 HydrophobicContact CG-CE2 3.51Å; R40-F176 HydrophobicContact CG-CZ 3.39Å; K43-F176 HydrophobicContact CB-CE1 4.04Å; K43-F176 HydrophobicContact CB-CZ 4.45Å; K43-F176 HydrophobicContact CD-CD1 4.49Å; K43-F176 HydrophobicContact CD-CE1 3.5Å; K43-F176 HydrophobicContact CD-CZ 3.59Å; K43-F176 HydrophobicContact CG-CE1 4.43Å; L68-F176 HydrophobicContact CB-CB 4.48Å; L68-F176 WeakPolarHBondContact CB-O 3.38Å; L68-F176 HydrophobicContact CD2-CD1 4.16Å; L68-F176 PolarHBondContact N-O 3.29Å; F167-F176 HydrophobicContact CE1-CB 4.42Å; F167-F176 HydrophobicContact CZ-CB 4.22Å; A173-F176 CarbonylContact O-C 3.56Å; A173-F176 VanDerWaalsContact O-C 3.31Å; A173-F176 WeakPolarHBondContact O-CA 3.07Å; A173-F176 PolarHBondContact O-N 2.96Å; R174-F176 PolarHBondContact O-N 2.8Å
177	I	84.6	Confident	67.7	Low	25 Å²	25	78 Å²	78	13%	0.128	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.6	169	-71.4	167.2	0	0	0	107.8	H66 F164 F167 R168 A173 R174	H66-I177 CarbonylContact O-C 3.23Å; H66-I177 VanDerWaalsContact O-CA 3.26Å; H66-I177 WeakPolarHBondContact O-CA 3.29Å; F164-I177 HydrophobicContact CE2-CD1 4.38Å; F164-I177 HydrophobicContact CE2-CG1 4.22Å; F164-I177 HydrophobicContact CZ-CD1 4.07Å; F164-I177 HydrophobicContact CZ-CG1 4.2Å; F164-I177 HydrophobicContact CZ-CG2 4.11Å; F167-I177 HydrophobicContact CD1-CD1 4.47Å; F167-I177 HydrophobicContact CD1-CG1 4.32Å; F167-I177 HydrophobicContact CE1-CG1 4.14Å; R168-I177 HydrophobicContact CB-CD1 3.87Å; R168-I177 HydrophobicContact CG-CD1 3.69Å; A173-I177 HydrophobicContact CB-CD1 4.44Å; A173-I177 WeakPolarHBondContact O-CG1 3.4Å; A173-I177 PolarHBondContact O-N 3.05Å; A173-I177 VanDerWaalsContact O-N 3.12Å; R174-I177 PolarHBondContact O-N 3.27Å
178	D	73.9	Confident	64.4	Low	41 Å²	41	83.3 Å²	83.3	22%	0.219	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	146.3	172.8	-161.6	-8.5	0	0	0	109.9	G65 H66 L68 N180	G65-D178 CarbonylContact C-O 3.3Å; G65-D178 WeakPolarHBondContact CA-O 3.36Å; H66-D178 PolarHBondContact CE1-O 3.47Å; H66-D178 PolarHBondContact N-O 3.1Å; H66-D178 PolarHBondContact ND1-O 2.83Å; H66-D178 VanDerWaalsContact ND1-O 3.08Å; H66-D178 PolarHBondContact O-N 3.21Å; L68-D178 HydrophobicContact CD1-CB 4.15Å; D178-N180 VanDerWaalsContact OD1-CB 3.27Å; D178-N180 WeakPolarHBondContact OD1-CB 3.49Å; D178-N180 PolarHBondContact OD1-N 2.93Å; D178-N180 PolarHBondContact OD1-ND2 2.95Å; D178-N180 PolarHBondContact OD2-ND2 3.12Å
179	R	69.6	Low	61.2	Low	159 Å²	159	83.4 Å²	83.4	60%	0.6	41%	0.411	S	S	*	.			trans	-122.1	2.4	174.2	-51	-173.2	-158.5	-162.6	5.6	112
180	N	50	Low	57.9	Low	82 Å²	82	82.8 Å²	82.8	44%	0.439	40%	0.404	S	S	.	.	S	Bend	trans	-65.6	164.9	171.3	-63.5	-57	0	0	0	111	H66 D178	H66-N180 PolarHBondContact CE1-O 3.13Å; H66-N180 VanDerWaalsContact CE1-O 3.27Å; D178-N180 VanDerWaalsContact OD1-CB 3.27Å; D178-N180 WeakPolarHBondContact OD1-CB 3.49Å; D178-N180 PolarHBondContact OD1-N 2.93Å; D178-N180 PolarHBondContact OD1-ND2 2.95Å; D178-N180 PolarHBondContact OD2-ND2 3.12Å
181	I	44.8	Very low	54.7	Low	95 Å²	95	89 Å²	89	49%	0.487	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-72.5	140.5	-169.6	-75	158.4	0	0	0	112.6	V268	I181-V268 HydrophobicContact CD1-CB 3.6Å; I181-V268 HydrophobicContact CD1-CG1 4.49Å; I181-V268 HydrophobicContact CD1-CG2 4.2Å; I181-V268 WeakPolarHBondContact CD1-O 3.49Å
182	P	34.2	Very low	51.5	Low	11 Å²	11	89.9 Å²	89.9	7%	0.071	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-53.1	137.3	-175.2	3.1	-17.8	0	0	0	116.9	Y62 Q63 F184	Y62-P182 HydrophobicContact CD1-CB 3.6Å; Y62-P182 HydrophobicContact CD1-CG 3.61Å; Y62-P182 HydrophobicContact CE1-CB 3.3Å; Y62-P182 HydrophobicContact CE1-CG 3.73Å; Y62-P182 HydrophobicContact CE2-CB 4.46Å; Y62-P182 HydrophobicContact CG-CB 4.36Å; Y62-P182 HydrophobicContact CG-CG 4.49Å; Q63-P182 HydrophobicContact CG-CG 4.27Å; P182-F184 HydrophobicContact CB-CD2 4.07Å; P182-F184 HydrophobicContact CB-CE2 3.95Å; P182-F184 HydrophobicContact CB-CG 4.41Å; P182-F184 HydrophobicContact CB-CZ 4.19Å; P182-F184 HydrophobicContact CG-CD2 4.28Å; P182-F184 HydrophobicContact CG-CE1 4.4Å; P182-F184 HydrophobicContact CG-CE2 3.66Å; P182-F184 HydrophobicContact CG-CZ 3.73Å; P182-F184 PolarHBondContact O-N 2.86Å
183	L	39.9	Very low	48.7	Very low	99 Å²	99	91.8 Å²	91.8	52%	0.518	46%	0.457	S	S	.	.			trans	-77.5	99.9	148.8	-63.7	175.8	0	0	0	107.9	S72	S72-L183 PolarHBondContact N-O 3.19Å
184	F	34.3	Very low	45.6	Very low	91 Å²	91	95.8 Å²	95.8	40%	0.399	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-74.6	134.4	176.6	-75.7	-81	0	0	0	112	T59 P182 N186	T59-F184 HydrophobicContact CG2-CE1 4.11Å; T59-F184 HydrophobicContact CG2-CZ 3.74Å; P182-F184 HydrophobicContact CB-CD2 4.07Å; P182-F184 HydrophobicContact CB-CE2 3.95Å; P182-F184 HydrophobicContact CB-CG 4.41Å; P182-F184 HydrophobicContact CB-CZ 4.19Å; P182-F184 HydrophobicContact CG-CD2 4.28Å; P182-F184 HydrophobicContact CG-CE1 4.4Å; P182-F184 HydrophobicContact CG-CE2 3.66Å; P182-F184 HydrophobicContact CG-CZ 3.73Å; P182-F184 PolarHBondContact O-N 2.86Å; F184-N186 VanDerWaalsContact C-N 3.28Å; F184-N186 HydrophobicContact CB-CB 4.44Å; F184-N186 PolarHBondContact O-N 2.96Å
185	I	36.3	Very low	42.5	Very low	6 Å²	6	91.8 Å²	91.8	3%	0.031	49%	0.489	C	S	.	.			trans	-86.5	75.1	159.2	-55.2	173	0	0	0	107.1	R71 S72 S87 W88	R71-I185 HydrophobicContact CB-CD1 3.78Å; R71-I185 HydrophobicContact CB-CG1 4.05Å; S72-I185 PolarHBondContact O-N 3.28Å; S87-I185 WeakPolarHBondContact CB-O 3.47Å; S87-I185 WeakPolarHBondContact O-CG2 3.36Å; W88-I185 HydrophobicContact CE3-CD1 4.04Å; W88-I185 HydrophobicContact CZ3-CD1 4.33Å
186	N	26.1	Very low	39.5	Very low	74 Å²	74	91.4 Å²	91.4	40%	0.396	49%	0.494	S	S	.	.			trans	-143.3	97.1	171.5	-93.7	-50	0	0	0	109.8	S87 F184	S87-N186 WeakPolarHBondContact OG-CA 3.36Å; F184-N186 VanDerWaalsContact C-N 3.28Å; F184-N186 HydrophobicContact CB-CB 4.44Å; F184-N186 PolarHBondContact O-N 2.96Å
187	Y	25	Very low	36.4	Very low	179 Å²	179	98.7 Å²	98.7	70%	0.702	53%	0.534	S	S	*	.			trans	-153	104.3	173.7	-149.2	-96.5	0	0	0	109	S87 I90	S87-Y187 PolarHBondContact OG-N 2.86Å; S87-Y187 VanDerWaalsContact OG-N 3.16Å; I90-Y187 WeakPolarHBondContact CD1-O 3.48Å
188	I	25.8	Very low	33.4	Very low	111 Å²	111	102.2 Å²	102.2	57%	0.569	57%	0.567	S	S	*	*			trans	-175.1	154.3	131.7	-106.1	-172.1	0	0	0	109.6	I90 T190	I90-I188 HydrophobicContact CD1-CB 3.86Å; I90-I188 HydrophobicContact CD1-CD1 3.35Å; I90-I188 HydrophobicContact CD1-CG1 3.6Å; I90-I188 HydrophobicContact CG1-CD1 3.86Å; I188-T190 PolarHBondContact O-N 3.41Å
189	N	25.4	Very low	30.9	Very low	141 Å²	141	104.8 Å²	104.8	75%	0.754	59%	0.593	S	S	*	*			trans	-64.5	117.8	170.9	-61.8	-30.2	0	0	0	109.8
190	T	24.5	Very low	28.6	Very low	79 Å²	79	103 Å²	103	49%	0.485	61%	0.605	S	S	.	*			trans	-99.1	89.2	159.5	58.6	0	0	0	0	108.2	I188 D192	I188-T190 PolarHBondContact O-N 3.41Å; T190-D192 PolarHBondContact O-N 3.06Å
191	D	27.4	Very low	27.4	Very low	156 Å²	156	105.1 Å²	105.1	83%	0.834	62%	0.623	S	S	*	*			trans	-67.9	86.8	151.8	-72.9	-37.2	0	0	0	106.5
192	D	24.7	Very low	26.2	Very low	114 Å²	114	105.8 Å²	105.8	61%	0.61	64%	0.636	S	S	*	*			trans	-150.5	80.7	176.9	-100.9	-38.8	0	0	0	110.2	T190 S194	T190-D192 PolarHBondContact O-N 3.06Å; D192-S194 PolarHBondContact O-N 3.21Å
193	S	27.1	Very low	25.5	Very low	132 Å²	132	113.5 Å²	113.5	92%	0.923	68%	0.676	S	S	*	*			trans	-91.3	47.9	160.7	61	0	0	0	0	110.9
194	S	24.3	Very low	24.6	Very low	85 Å²	85	113.7 Å²	113.7	59%	0.594	69%	0.686	S	S	*	*			trans	-159.5	82.6	176.2	47.1	0	0	0	0	111.9	D192	D192-S194 PolarHBondContact O-N 3.21Å
195	C	22.4	Very low	24.1	Very low	129 Å²	129	117.1 Å²	117.1	87%	0.872	71%	0.709	S	S	*	*			trans	-156.2	49.1	163.6	-101.2	0	0	0	0	110.5
196	S	22.3	Very low	23.5	Very low	101 Å²	101	126.3 Å²	126.3	71%	0.706	75%	0.751	S	S	*	*			trans	-85.4	142.5	150.7	46.6	0	0	0	0	108.5
197	D	21.7	Very low	23.5	Very low	163 Å²	163	127.6 Å²	127.6	87%	0.872	77%	0.766	S	S	*	*	S	Bend	trans	74.4	161.2	171.1	-53.9	-42.1	0	0	0	119.1
198	A	21.9	Very low	23.5	Very low	99 Å²	99	126.8 Å²	126.8	82%	0.818	77%	0.768	S	S	*	*			trans	-96.4	-175.3	-157	0	0	0	0	0	113.5
199	A	20.5	Very low	23.5	Very low	94 Å²	94	125.2 Å²	125.2	78%	0.777	77%	0.772	S	S	*	*			trans	95.6	128.2	172.8	0	0	0	0	0	116.1
200	S	22.5	Very low	23.4	Very low	121 Å²	121	123.4 Å²	123.4	85%	0.846	77%	0.771	S	S	*	*			trans	-62	152.4	169.1	-40.7	0	0	0	0	110.8
201	P	23.9	Very low	23.2	Very low	127 Å²	127	121.9 Å²	121.9	83%	0.825	76%	0.763	S	S	*	*				-137.9	174.8	119	31.6	-16.3	0	0	0	114.8
202	S	19.3	Very low	23.1	Very low	109 Å²	109	119.9 Å²	119.9	76%	0.762	75%	0.751	S	S	*	*			trans	-77.6	163.8	-169.5	44.9	0	0	0	0	115.9	S204	S202-S204 PolarHBondContact O-N 3.46Å
203	L	21	Very low	23	Very low	173 Å²	173	118.8 Å²	118.8	91%	0.906	75%	0.748	S	S	*	*	S	Bend	trans	-37.9	112.5	159	-69.9	142.3	0	0	0	113.6
204	S	20.9	Very low	22.8	Very low	104 Å²	104	116.2 Å²	116.2	73%	0.727	73%	0.73	S	S	*	*				164.1	109.2	125.7	59.8	0	0	0	0	110.5	S202	S202-S204 PolarHBondContact O-N 3.46Å
205	D	22.8	Very low	22.6	Very low	163 Å²	163	120.9 Å²	120.9	87%	0.872	74%	0.735	S	S	*	*			trans	-172.8	137.2	133.5	-100.1	-24.7	0	0	0	111.6
206	H	24.7	Very low	22.7	Very low	198 Å²	198	119.8 Å²	119.8	92%	0.917	72%	0.724	S	S	*	*			trans	-95.3	107.3	177	-73.5	-95.4	0	0	0	110.1
207	S	25.4	Very low	22.9	Very low	101 Å²	101	121.1 Å²	121.1	71%	0.706	72%	0.717	S	S	*	*			trans	-149.3	140.5	165	62.5	0	0	0	0	114.9	A209	S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 3.37Å
208	E	26	Very low	23	Very low	162 Å²	162	118.8 Å²	118.8	76%	0.757	71%	0.705	S	S	*	*	S	Bend	trans	55.7	-41.5	167.5	-61.8	-163.7	124	0	0	121.4	S210 S211	E208-S210 PolarHBondContact O-N 2.84Å; E208-S211 WeakPolarHBondContact O-CB 3.39Å; E208-S211 PolarHBondContact O-N 2.8Å; E208-S211 PolarHBondContact O-OG 3.4Å
209	A	24	Very low	23.2	Very low	79 Å²	79	121.2 Å²	121.2	65%	0.653	70%	0.704	S	S	*	*	H	α-helix	trans	-58.9	-41.5	-170.7	0	0	0	0	0	113.7	S207 S211	S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 3.37Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 3.3Å
210	S	23.3	Very low	23.7	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	69%	0.688	S	S	*	*	H	α-helix	trans	-68.6	-20.9	174.8	-65.3	0	0	0	0	114	E208 I212	E208-S210 PolarHBondContact O-N 2.84Å; S210-I212 PolarHBondContact O-N 3.08Å
211	S	21.9	Very low	24	Very low	46 Å²	46	119 Å²	119	32%	0.322	67%	0.667	S	S	.	*	H	α-helix	trans	-74.8	-25.8	-174.8	78	0	0	0	0	113.7	E208 A209 R215	E208-S211 WeakPolarHBondContact O-CB 3.39Å; E208-S211 PolarHBondContact O-N 2.8Å; E208-S211 PolarHBondContact O-OG 3.4Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 3.3Å; S211-R215 PolarHBondContact O-N 3.14Å
212	I	23.9	Very low	24.4	Very low	115 Å²	115	116.6 Å²	116.6	59%	0.59	65%	0.646	S	S	*	*	H	α-helix	trans	-71.8	-41.9	-178.3	-63.9	176.2	0	0	0	110.1	S210 S214 R215 V216	S210-I212 PolarHBondContact O-N 3.08Å; I212-S214 PolarHBondContact O-N 3.19Å; I212-R215 PolarHBondContact O-N 2.98Å; I212-V216 PolarHBondContact O-N 2.97Å
213	V	24.3	Very low	24.9	Very low	91 Å²	91	115.8 Å²	115.8	55%	0.552	64%	0.641	S	S	*	*	H	α-helix	trans	-60.9	-48.1	-179.9	-175.3	0	0	0	0	110.6	R215 V216 F217	V213-R215 VanDerWaalsContact C-N 3.28Å; V213-R215 PolarHBondContact O-N 3.39Å; V213-V216 PolarHBondContact O-N 3.48Å; V213-F217 HydrophobicContact CG1-CE2 4.08Å; V213-F217 VanDerWaalsContact O-CD2 3.26Å; V213-F217 WeakPolarHBondContact O-CD2 3.39Å
214	S	21.3	Very low	25.2	Very low	77 Å²	77	112.8 Å²	112.8	54%	0.538	62%	0.623	S	S	.	*	H	α-helix	trans	-64.1	-27.5	-180	-51.6	0	0	0	0	114.3	I212	I212-S214 PolarHBondContact O-N 3.19Å
215	R	20.4	Very low	25.7	Very low	184 Å²	184	114.2 Å²	114.2	69%	0.694	62%	0.623	S	S	*	*	H	α-helix	trans	-76.1	-29.5	179.8	-81.8	179	170.3	152.8	-1.5	113.8	S211 I212 V213 F217	S211-R215 PolarHBondContact O-N 3.14Å; I212-R215 PolarHBondContact O-N 2.98Å; V213-R215 VanDerWaalsContact C-N 3.28Å; V213-R215 PolarHBondContact O-N 3.39Å; R215-F217 VanDerWaalsContact C-N 3.32Å; R215-F217 PolarHBondContact O-N 3.3Å
216	V	25.6	Very low	26.4	Very low	106 Å²	106	114.4 Å²	114.4	64%	0.642	62%	0.624	S	S	*	*	H	α-helix	trans	-70.5	-27.3	-175.2	173.8	0	0	0	0	112.8	I212 V213	I212-V216 PolarHBondContact O-N 2.97Å; V213-V216 PolarHBondContact O-N 3.48Å
217	F	25.3	Very low	26.8	Very low	129 Å²	129	112.5 Å²	112.5	57%	0.566	62%	0.621	S	S	*	*	H	α-helix	trans	-92	-31	-173.4	-64.9	-73.4	0	0	0	115	V213 R215 Y231	V213-F217 HydrophobicContact CG1-CE2 4.08Å; V213-F217 VanDerWaalsContact O-CD2 3.26Å; V213-F217 WeakPolarHBondContact O-CD2 3.39Å; R215-F217 VanDerWaalsContact C-N 3.32Å; R215-F217 PolarHBondContact O-N 3.3Å; F217-Y231 WeakPolarHBondContact O-CE1 3.19Å
218	N	24.3	Very low	27.1	Very low	114 Å²	114	112 Å²	112	61%	0.61	61%	0.609	S	S	*	*	H	α-helix	trans	-74.7	-33.9	-170.1	-77.9	-10.4	0	0	0	115	K220	N218-K220 VanDerWaalsContact C-N 3.25Å; N218-K220 PolarHBondContact O-N 2.8Å; N218-K220 VanDerWaalsContact O-N 3.1Å
219	D	26.1	Very low	27.6	Very low	150 Å²	150	107.6 Å²	107.6	80%	0.802	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	3.9	-167.5	-74.8	-7.9	0	0	0	115.5
220	K	30.5	Very low	28.1	Very low	100 Å²	100	106.3 Å²	106.3	44%	0.435	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.5	22.6	-175.6	-68.8	-167.2	179.7	-173.2	0	115.8	N218 I222 D234	N218-K220 VanDerWaalsContact C-N 3.25Å; N218-K220 PolarHBondContact O-N 2.8Å; N218-K220 VanDerWaalsContact O-N 3.1Å; K220-I222 PolarHBondContact O-N 3.46Å; K220-D234 IonicContact NZ-OD1 2.7Å; K220-D234 PolarHBondContact NZ-OD1 2.64Å; K220-D234 IonicContact NZ-OD2 2.73Å; K220-D234 PolarHBondContact NZ-OD2 3.26Å
221	V	28.8	Very low	28.6	Very low	68 Å²	68	106.7 Å²	106.7	41%	0.412	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.2	118.4	171.5	-178.8	0	0	0	0	110	Y231	V221-Y231 HydrophobicContact CG2-CD1 4.31Å; V221-Y231 HydrophobicContact CG2-CE1 3.59Å
222	I	32.6	Very low	28.9	Very low	76 Å²	76	111.6 Å²	111.6	39%	0.39	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	106.3	159.7	-58.9	-177.2	0	0	0	106.8	K220 M224 C230 K232	K220-I222 PolarHBondContact O-N 3.46Å; I222-M224 HydrophobicContact CG2-CG 4.09Å; I222-M224 PolarHBondContact O-N 2.91Å; I222-C230 WeakPolarHBondContact CB-O 3.35Å; I222-C230 PolarHBondContact N-O 3.28Å; I222-C230 PolarHBondContact O-N 2.87Å; I222-K232 HydrophobicContact CD1-CB 3.83Å; I222-K232 HydrophobicContact CD1-CD 4.22Å; I222-K232 HydrophobicContact CD1-CG 4.32Å; I222-K232 HydrophobicContact CG1-CB 4.35Å
223	S	29.1	Very low	29.5	Very low	93 Å²	93	109.2 Å²	109.2	65%	0.65	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65	122.8	168.6	175.6	0	0	0	0	109.3
224	M	28.6	Very low	29.8	Very low	109 Å²	109	109 Å²	109	54%	0.537	57%	0.568	S	S	.	*			trans	-129.5	65.7	173.8	-82.5	-93.5	-165.4	0	0	107.9	I222	I222-M224 HydrophobicContact CG2-CG 4.09Å; I222-M224 PolarHBondContact O-N 2.91Å
225	N	31.5	Very low	30.5	Very low	134 Å²	134	109 Å²	109	72%	0.717	56%	0.562	S	S	*	*	S	Bend	trans	66.3	166.4	-171.5	-55.5	-10.8	0	0	0	113.9	D227 I228	N225-D227 PolarHBondContact O-N 3.04Å; N225-D227 VanDerWaalsContact O-N 3.14Å; N225-I228 PolarHBondContact O-N 2.91Å
226	D	37.4	Very low	31.1	Very low	168 Å²	168	104.6 Å²	104.6	90%	0.898	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.1	-163.4	-58	-40	0	0	0	114.5
227	D	32.9	Very low	31.8	Very low	157 Å²	157	105.7 Å²	105.7	84%	0.84	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.9	-175.6	-57.5	-49.7	0	0	0	114.6	N225	N225-D227 PolarHBondContact O-N 3.04Å; N225-D227 VanDerWaalsContact O-N 3.14Å
228	I	31.8	Very low	32.3	Very low	92 Å²	92	103.4 Å²	103.4	47%	0.472	55%	0.546	S	S	.	.			trans	-138.2	101.9	-171.5	-53.3	180	0	0	0	111.8	N225	N225-I228 PolarHBondContact O-N 2.91Å
229	S	35.3	Very low	32.9	Very low	69 Å²	69	103.2 Å²	103.2	48%	0.483	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.5	168.2	46.6	0	0	0	0	111
230	C	34.4	Very low	33.7	Very low	52 Å²	52	99.8 Å²	99.8	35%	0.351	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	179.8	-82.2	0	0	0	0	111.3	I222	I222-C230 WeakPolarHBondContact CB-O 3.35Å; I222-C230 PolarHBondContact N-O 3.28Å; I222-C230 PolarHBondContact O-N 2.87Å
231	Y	34	Very low	34.3	Very low	111 Å²	111	97.4 Å²	97.4	44%	0.435	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.4	178.9	-61.6	-85.4	0	0	0	111.3	F217 V221 L233	F217-Y231 WeakPolarHBondContact O-CE1 3.19Å; V221-Y231 HydrophobicContact CG2-CD1 4.31Å; V221-Y231 HydrophobicContact CG2-CE1 3.59Å; Y231-L233 PolarHBondContact O-N 3.42Å
232	K	29.9	Very low	34.9	Very low	148 Å²	148	100.5 Å²	100.5	64%	0.643	53%	0.53	S	S	*	.			trans	-76.4	106.9	176.9	-168.6	-178.7	-177	176.1	0	110.7	I222	I222-K232 HydrophobicContact CD1-CB 3.83Å; I222-K232 HydrophobicContact CD1-CD 4.22Å; I222-K232 HydrophobicContact CD1-CG 4.32Å; I222-K232 HydrophobicContact CG1-CB 4.35Å
233	L	35.9	Very low	35.5	Very low	65 Å²	65	102.4 Å²	102.4	34%	0.34	54%	0.536	S	S	.	.			trans	-74.9	127.3	176.5	-67.2	176.1	0	0	0	112.2	K5 I7 Y231	K5-L233 HydrophobicContact CD-CD2 4.47Å; I7-L233 HydrophobicContact CD1-CD1 4.16Å; I7-L233 HydrophobicContact CG1-CD1 3.99Å; Y231-L233 PolarHBondContact O-N 3.42Å
234	D	29.4	Very low	36.2	Very low	88 Å²	88	100.3 Å²	100.3	47%	0.471	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	136.8	172.5	-57.6	-49.1	0	0	0	110.9	K5 K220	K5-D234 PolarHBondContact NZ-O 3.28Å; K220-D234 IonicContact NZ-OD1 2.7Å; K220-D234 PolarHBondContact NZ-OD1 2.64Å; K220-D234 IonicContact NZ-OD2 2.73Å; K220-D234 PolarHBondContact NZ-OD2 3.26Å
235	N	36.8	Very low	37	Very low	76 Å²	76	98 Å²	98	41%	0.406	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	18.7	179.5	-40.8	-95.7	0	0	0	117.3	H422	N235-H422 PolarHBondContact ND2-CE1 3.49Å; N235-H422 VanDerWaalsContact ND2-CE1 3.33Å; N235-H422 PolarHBondContact ND2-ND1 3.46Å; N235-H422 PolarHBondContact OD1-ND1 3.36Å
236	F	33.9	Very low	37.7	Very low	92 Å²	92	94.6 Å²	94.6	40%	0.404	49%	0.493	S	S	.	.			trans	-95.4	131.5	162	-131.3	-92.9	0	0	0	109	D240 T241	F236-D240 HydrophobicContact CD1-CB 4.21Å; F236-D240 HydrophobicContact CE1-CB 3.93Å; F236-T241 WeakPolarHBondContact CD1-OG1 3.44Å
237	E	39.2	Very low	38	Very low	129 Å²	129	90.5 Å²	90.5	60%	0.603	48%	0.476	S	S	*	.			trans	-68.8	135.4	174.3	-69.3	-151.8	151.5	0	0	109.7	N239 D240 T241	E237-N239 PolarHBondContact O-N 2.89Å; E237-N239 VanDerWaalsContact O-N 3.08Å; E237-D240 PolarHBondContact O-N 2.81Å; E237-T241 PolarHBondContact O-N 3.26Å; E237-T241 VanDerWaalsContact O-N 3.12Å; E237-T241 PolarHBondContact O-OG1 3.41Å; E237-T241 VanDerWaalsContact O-OG1 3.12Å
238	S	35.9	Very low	38.4	Very low	81 Å²	81	85.9 Å²	85.9	57%	0.566	45%	0.452	S	S	*	.	H	α-helix	trans	-57.2	-34.4	-170.2	61.1	0	0	0	0	113	D240 T241 E242	S238-D240 VanDerWaalsContact C-N 3.33Å; S238-D240 PolarHBondContact O-N 3.15Å; S238-T241 PolarHBondContact O-N 3.13Å; S238-E242 VanDerWaalsContact O-CB 3.23Å; S238-E242 WeakPolarHBondContact O-CB 3.46Å; S238-E242 WeakPolarHBondContact O-CG 3.36Å; S238-E242 PolarHBondContact O-N 2.86Å
239	N	37.5	Very low	39	Very low	109 Å²	109	88 Å²	88	58%	0.583	46%	0.457	S	S	*	.	H	α-helix	trans	-64.9	-34.8	179.6	-70.7	-7.2	0	0	0	113	E237 K243	E237-N239 PolarHBondContact O-N 2.89Å; E237-N239 VanDerWaalsContact O-N 3.08Å; N239-K243 WeakPolarHBondContact O-CB 3.48Å; N239-K243 VanDerWaalsContact O-CG 3.26Å; N239-K243 WeakPolarHBondContact O-CG 3.43Å; N239-K243 PolarHBondContact O-N 3.47Å
240	D	42	Very low	39.6	Very low	79 Å²	79	91.9 Å²	91.9	42%	0.422	47%	0.473	S	S	.	.	H	α-helix	trans	-83.4	-31.5	178.8	-68	-25.9	0	0	0	110.9	F236 E237 S238 K243 L244	F236-D240 HydrophobicContact CD1-CB 4.21Å; F236-D240 HydrophobicContact CE1-CB 3.93Å; E237-D240 PolarHBondContact O-N 2.81Å; S238-D240 VanDerWaalsContact C-N 3.33Å; S238-D240 PolarHBondContact O-N 3.15Å; D240-K243 IonicContact OD1-NZ 3.33Å; D240-L244 WeakPolarHBondContact O-CB 3.45Å; D240-L244 PolarHBondContact O-N 3.01Å
241	T	42.5	Very low	39.9	Very low	49 Å²	49	92.3 Å²	92.3	30%	0.301	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-48.8	168.3	-35.5	0	0	0	0	111.1	F236 E237 S238 K243 L244 I245	F236-T241 WeakPolarHBondContact CD1-OG1 3.44Å; E237-T241 PolarHBondContact O-N 3.26Å; E237-T241 VanDerWaalsContact O-N 3.12Å; E237-T241 PolarHBondContact O-OG1 3.41Å; E237-T241 VanDerWaalsContact O-OG1 3.12Å; S238-T241 PolarHBondContact O-N 3.13Å; T241-K243 PolarHBondContact O-N 3.41Å; T241-L244 PolarHBondContact O-N 3.01Å; T241-I245 HydrophobicContact CG2-CD1 3.82Å; T241-I245 HydrophobicContact CG2-CG1 4.49Å; T241-I245 WeakPolarHBondContact O-CB 3.41Å; T241-I245 WeakPolarHBondContact O-CG1 3.49Å; T241-I245 PolarHBondContact O-N 3.28Å
242	E	43	Very low	39.8	Very low	134 Å²	134	91.5 Å²	91.5	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-59	-45.1	177.1	-76.1	-90.2	162.4	0	0	111.4	S238 I245 S246	S238-E242 VanDerWaalsContact O-CB 3.23Å; S238-E242 WeakPolarHBondContact O-CB 3.46Å; S238-E242 WeakPolarHBondContact O-CG 3.36Å; S238-E242 PolarHBondContact O-N 2.86Å; E242-I245 PolarHBondContact O-N 3.32Å; E242-S246 WeakPolarHBondContact O-CB 3.35Å; E242-S246 PolarHBondContact O-N 3.24Å; E242-S246 PolarHBondContact O-OG 3.07Å
243	K	44.1	Very low	40	Very low	116 Å²	116	94.8 Å²	94.8	50%	0.504	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-49.6	173.8	-79.2	172.2	-175.2	170	0	111.8	N239 D240 T241 I245 S246 C247	N239-K243 WeakPolarHBondContact O-CB 3.48Å; N239-K243 VanDerWaalsContact O-CG 3.26Å; N239-K243 WeakPolarHBondContact O-CG 3.43Å; N239-K243 PolarHBondContact O-N 3.47Å; D240-K243 IonicContact OD1-NZ 3.33Å; T241-K243 PolarHBondContact O-N 3.41Å; K243-I245 VanDerWaalsContact C-N 3.35Å; K243-I245 PolarHBondContact O-N 3.38Å; K243-S246 WeakPolarHBondContact CA-OG 3.36Å; K243-S246 PolarHBondContact O-N 2.75Å; K243-S246 VanDerWaalsContact O-N 3.16Å; K243-S246 PolarHBondContact O-OG 2.8Å; K243-C247 PolarHBondContact O-N 3.1Å; K243-C247 PolarHBondContact O-SG 3.2Å; K243-C247 VanDerWaalsContact O-SG 3.39Å
244	L	44.3	Very low	39.7	Very low	49 Å²	49	98.1 Å²	98.1	26%	0.257	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-46.6	179.5	-158.4	109.9	0	0	0	110.6	D240 T241 S246 C247 L248 V259	D240-L244 WeakPolarHBondContact O-CB 3.45Å; D240-L244 PolarHBondContact O-N 3.01Å; T241-L244 PolarHBondContact O-N 3.01Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.2Å; L244-C247 WeakPolarHBondContact O-CB 3.16Å; L244-C247 PolarHBondContact O-N 2.97Å; L244-L248 HydrophobicContact CD2-CD1 4.04Å; L244-L248 VanDerWaalsContact O-CG 3.25Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L248 VanDerWaalsContact O-N 3.07Å; L244-V259 HydrophobicContact CD1-CG1 4.49Å; L244-V259 HydrophobicContact CD2-CG2 4.49Å
245	I	44.6	Very low	39.8	Very low	60 Å²	60	98 Å²	98	31%	0.308	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-40.5	174.5	-70.7	166.6	0	0	0	111.6	T241 E242 K243 L248 K249	T241-I245 HydrophobicContact CG2-CD1 3.82Å; T241-I245 HydrophobicContact CG2-CG1 4.49Å; T241-I245 WeakPolarHBondContact O-CB 3.41Å; T241-I245 WeakPolarHBondContact O-CG1 3.49Å; T241-I245 PolarHBondContact O-N 3.28Å; E242-I245 PolarHBondContact O-N 3.32Å; K243-I245 VanDerWaalsContact C-N 3.35Å; K243-I245 PolarHBondContact O-N 3.38Å; I245-L248 CarbonylContact O-C 3.45Å; I245-L248 PolarHBondContact O-N 2.73Å; I245-L248 VanDerWaalsContact O-N 3.11Å; I245-K249 HydrophobicContact CG2-CG 4.46Å; I245-K249 WeakPolarHBondContact O-CG 3.49Å; I245-K249 PolarHBondContact O-N 3.48Å
246	S	47.8	Very low	39.4	Very low	63 Å²	63	99 Å²	99	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-42.9	177.7	73.6	0	0	0	0	111.9	E242 K243 L244 L248 K249	E242-S246 WeakPolarHBondContact O-CB 3.35Å; E242-S246 PolarHBondContact O-N 3.24Å; E242-S246 PolarHBondContact O-OG 3.07Å; K243-S246 WeakPolarHBondContact CA-OG 3.36Å; K243-S246 PolarHBondContact O-N 2.75Å; K243-S246 VanDerWaalsContact O-N 3.16Å; K243-S246 PolarHBondContact O-OG 2.8Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.2Å; S246-L248 VanDerWaalsContact C-N 3.26Å; S246-L248 PolarHBondContact O-N 2.98Å; S246-K249 PolarHBondContact O-N 3.39Å
247	C	42	Very low	39.2	Very low	81 Å²	81	96.2 Å²	96.2	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-30.9	172.4	-63.5	0	0	0	0	113	K243 L244	K243-C247 PolarHBondContact O-N 3.1Å; K243-C247 PolarHBondContact O-SG 3.2Å; K243-C247 VanDerWaalsContact O-SG 3.39Å; L244-C247 WeakPolarHBondContact O-CB 3.16Å; L244-C247 PolarHBondContact O-N 2.97Å
248	L	43.3	Very low	38.8	Very low	61 Å²	61	94.1 Å²	94.1	32%	0.319	50%	0.503	S	S	.	.	H	α-helix	trans	-80.2	-29.4	178.3	-63.9	170.9	0	0	0	113	L244 I245 S246 D250 C251 L257	L244-L248 HydrophobicContact CD2-CD1 4.04Å; L244-L248 VanDerWaalsContact O-CG 3.25Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L248 VanDerWaalsContact O-N 3.07Å; I245-L248 CarbonylContact O-C 3.45Å; I245-L248 PolarHBondContact O-N 2.73Å; I245-L248 VanDerWaalsContact O-N 3.11Å; S246-L248 VanDerWaalsContact C-N 3.26Å; S246-L248 PolarHBondContact O-N 2.98Å; L248-D250 VanDerWaalsContact C-N 3.3Å; L248-D250 PolarHBondContact O-N 3.24Å; L248-C251 WeakPolarHBondContact O-CA 3.32Å; L248-C251 WeakPolarHBondContact O-CB 3.22Å; L248-C251 PolarHBondContact O-N 2.91Å; L248-L257 HydrophobicContact CD2-CB 4.22Å; L248-L257 HydrophobicContact CD2-CD1 3.55Å; L248-L257 HydrophobicContact CD2-CD2 3.42Å; L248-L257 VanDerWaalsContact CD2-CD2 3.42Å; L248-L257 HydrophobicContact CD2-CG 3.89Å
249	K	44	Very low	38.5	Very low	136 Å²	136	92.2 Å²	92.2	59%	0.591	49%	0.488	S	S	*	.	H	α-helix	trans	-62.6	-35.8	174.9	-78.7	-177.9	176.9	-177.9	0	112.4	I245 S246 C251 S252	I245-K249 HydrophobicContact CG2-CG 4.46Å; I245-K249 WeakPolarHBondContact O-CG 3.49Å; I245-K249 PolarHBondContact O-N 3.48Å; S246-K249 PolarHBondContact O-N 3.39Å; K249-C251 PolarHBondContact O-N 3.17Å; K249-S252 VanDerWaalsContact O-CB 3.24Å; K249-S252 WeakPolarHBondContact O-CB 3.29Å; K249-S252 PolarHBondContact O-N 3.38Å
250	D	46.9	Very low	38	Very low	151 Å²	151	96.4 Å²	96.4	81%	0.807	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16	174.1	-73.1	-7.5	0	0	0	112.7	L248 S252	L248-D250 VanDerWaalsContact C-N 3.3Å; L248-D250 PolarHBondContact O-N 3.24Å; D250-S252 VanDerWaalsContact C-N 3.33Å
251	C	40.2	Very low	37.3	Very low	61 Å²	61	98 Å²	98	41%	0.412	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	20.7	175.5	-61.7	0	0	0	0	113.4	L248 K249 R253 L257	L248-C251 WeakPolarHBondContact O-CA 3.32Å; L248-C251 WeakPolarHBondContact O-CB 3.22Å; L248-C251 PolarHBondContact O-N 2.91Å; K249-C251 PolarHBondContact O-N 3.17Å; C251-R253 PolarHBondContact O-N 3.23Å; C251-L257 HydrophobicContact CB-CD1 3.97Å
252	S	33.6	Very low	36.4	Very low	94 Å²	94	104.9 Å²	104.9	66%	0.657	53%	0.529	S	S	*	.			trans	-71.1	62.3	-174	-173.5	0	0	0	0	114.6	K249 D250	K249-S252 VanDerWaalsContact O-CB 3.24Å; K249-S252 WeakPolarHBondContact O-CB 3.29Å; K249-S252 PolarHBondContact O-N 3.38Å; D250-S252 VanDerWaalsContact C-N 3.33Å
253	R	33.2	Very low	35.6	Very low	216 Å²	216	104.3 Å²	104.3	82%	0.815	53%	0.526	S	S	*	.	S	Bend	trans	-144.1	102.5	165.1	-67.2	-172.1	179.8	-176	-1.6	109.5	C251 E255	C251-R253 PolarHBondContact O-N 3.23Å; R253-E255 PolarHBondContact O-N 3.03Å
254	D	30.6	Very low	34.6	Very low	135 Å²	135	104.9 Å²	104.9	72%	0.722	54%	0.539	S	S	*	.	S	Bend	trans	38.7	27.9	159.5	-81.8	-63.9	0	0	0	120.4	R11	R11-D254 IonicContact CZ-OD1 3.48Å; R11-D254 IonicContact NH1-OD1 3.15Å; R11-D254 PolarHBondContact NH1-OD1 2.95Å; R11-D254 IonicContact NH2-OD1 2.67Å; R11-D254 PolarHBondContact NH2-OD1 3.24Å
255	E	30.3	Very low	33.7	Very low	87 Å²	87	108.5 Å²	108.5	41%	0.407	57%	0.566	S	S	.	*			trans	-121.3	126.9	-178.3	-73.1	-173.7	-169.3	0	0	113.5	R253 L257 C528	R253-E255 PolarHBondContact O-N 3.03Å; E255-L257 PolarHBondContact O-N 3.49Å; E255-C528 VanDerWaalsContact OE2-CA 3.27Å; E255-C528 WeakPolarHBondContact OE2-CA 3.45Å; E255-C528 WeakPolarHBondContact OE2-CB 3.45Å; E255-C528 PolarHBondContact OE2-SG 3.2Å
256	T	28.5	Very low	33	Very low	95 Å²	95	110.8 Å²	110.8	58%	0.583	58%	0.578	S	S	*	*			trans	-73	106.3	172.7	-52.4	0	0	0	0	110.5	I9	I9-T256 HydrophobicContact CB-CG2 4.38Å
257	L	30.7	Very low	31.8	Very low	34 Å²	34	117.9 Å²	117.9	18%	0.178	60%	0.595	C	S	.	*			trans	-98.6	103.3	-169	-159.9	156.6	0	0	0	112.7	L248 C251 E255 V259 T526	L248-L257 HydrophobicContact CD2-CB 4.22Å; L248-L257 HydrophobicContact CD2-CD1 3.55Å; L248-L257 HydrophobicContact CD2-CD2 3.42Å; L248-L257 VanDerWaalsContact CD2-CD2 3.42Å; L248-L257 HydrophobicContact CD2-CG 3.89Å; C251-L257 HydrophobicContact CB-CD1 3.97Å; E255-L257 PolarHBondContact O-N 3.49Å; L257-V259 HydrophobicContact CD2-CG2 3.74Å; L257-T526 HydrophobicContact CD1-CG2 4.21Å; L257-T526 HydrophobicContact CD2-CG2 3.78Å; L257-T526 HydrophobicContact CG-CG2 4.25Å
258	V	29.4	Very low	31.3	Very low	86 Å²	86	117.5 Å²	117.5	52%	0.521	59%	0.591	S	S	.	*			trans	-87.7	113.7	-177.7	-178.3	0	0	0	0	111.6
259	V	29.9	Very low	30.6	Very low	41 Å²	41	120.9 Å²	120.9	25%	0.248	61%	0.609	C	S	.	*			trans	-94.9	107.3	177.3	-178	0	0	0	0	110.8	L244 L257	L244-V259 HydrophobicContact CD1-CG1 4.49Å; L244-V259 HydrophobicContact CD2-CG2 4.49Å; L257-V259 HydrophobicContact CD2-CG2 3.74Å
260	R	26.4	Very low	29.7	Very low	196 Å²	196	122.3 Å²	122.3	74%	0.74	62%	0.617	S	S	*	*			trans	-92.1	119	174.6	-79.2	-177.1	172.1	178.3	-2.9	112
261	I	28.1	Very low	29	Very low	112 Å²	112	118.9 Å²	118.9	57%	0.574	60%	0.598	S	S	*	*			trans	-94.9	109.5	169.5	-56.2	175.2	0	0	0	108.7	W522	I261-W522 HydrophobicContact CG2-CZ3 4.41Å
262	K	24.2	Very low	28.5	Very low	195 Å²	195	124.9 Å²	124.9	85%	0.848	62%	0.62	S	S	*	*			trans	-82.2	123.5	172.2	-73.7	-173.1	177.5	-177.8	0	110.2
263	Q	25.8	Very low	28.8	Very low	121 Å²	121	126.4 Å²	126.4	57%	0.565	62%	0.617	S	S	*	*			trans	-107.5	127.1	165	-152	168.8	33	0	0	108.5
264	T	23.7	Very low	28.8	Very low	128 Å²	128	121.3 Å²	121.3	79%	0.785	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-75.5	131.7	-178	33.1	0	0	0	0	111.2
265	P	24.7	Very low	29.4	Very low	126 Å²	126	120.9 Å²	120.9	82%	0.818	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-73	148.3	178.4	28.2	-32.4	0	0	0	111.9
266	L	29.6	Very low	30.2	Very low	107 Å²	107	122.7 Å²	122.7	56%	0.56	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-96.7	143.2	-179.2	-69.6	166.5	0	0	0	111.5	V268 E398	L266-V268 PolarHBondContact O-N 2.85Å; L266-E398 HydrophobicContact CD1-CB 4.37Å; L266-E398 VanDerWaalsContact CD1-CD 3.45Å; L266-E398 HydrophobicContact CD1-CG 3.96Å; L266-E398 WeakPolarHBondContact CD1-OE2 3.06Å
267	R	23.8	Very low	31.3	Very low	212 Å²	212	122.7 Å²	122.7	80%	0.8	61%	0.613	S	S	*	*			trans	-69.5	111.2	161.1	-70.3	176.2	176.1	145.9	-2.7	108.5
268	V	30.6	Very low	32.5	Very low	74 Å²	74	122 Å²	122	45%	0.448	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-86.4	124.6	156	-164.4	0	0	0	0	105.6	I181 L266	I181-V268 HydrophobicContact CD1-CB 3.6Å; I181-V268 HydrophobicContact CD1-CG1 4.49Å; I181-V268 HydrophobicContact CD1-CG2 4.2Å; I181-V268 WeakPolarHBondContact CD1-O 3.49Å; L266-V268 PolarHBondContact O-N 2.85Å
269	N	28.9	Very low	34	Very low	131 Å²	131	122.4 Å²	122.4	70%	0.701	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61.5	144	-178.5	-72.9	-12.5	0	0	0	110.7	I271	N269-I271 PolarHBondContact O-N 3.35Å
270	E	25.3	Very low	35.9	Very low	166 Å²	166	123.4 Å²	123.4	78%	0.776	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-55.3	119.3	175.3	-60.4	169.6	160.7	0	0	110.1
271	I	32.4	Very low	38.3	Very low	79 Å²	79	115.1 Å²	115.1	41%	0.405	59%	0.591	S	S	.	*			trans	-129	96.2	164.9	-55	-178.8	0	0	0	107.6	N269 Q273	N269-I271 PolarHBondContact O-N 3.35Å; I271-Q273 HydrophobicContact CG2-CG 3.83Å; I271-Q273 PolarHBondContact O-N 3Å
272	Q	28.6	Very low	41.1	Very low	187 Å²	187	113.9 Å²	113.9	87%	0.874	59%	0.592	S	S	*	*			trans	-69.4	105.6	160.5	-65.6	178.7	-2.6	0	0	106.6	N274	Q272-N274 PolarHBondContact O-N 2.69Å
273	Q	40.6	Very low	44.5	Very low	126 Å²	126	106.2 Å²	106.2	59%	0.589	56%	0.56	S	S	*	*			trans	-79.6	104.6	-170.8	-68.7	176.9	-9.2	0	0	111.4	I271 V278	I271-Q273 HydrophobicContact CG2-CG 3.83Å; I271-Q273 PolarHBondContact O-N 3Å; Q273-V278 HydrophobicContact CB-CG2 4.3Å; Q273-V278 HydrophobicContact CG-CG2 4.16Å
274	N	32.6	Very low	47.8	Very low	109 Å²	109	100.9 Å²	100.9	58%	0.583	54%	0.536	S	S	*	.			trans	-74.4	136.6	147.7	-82.3	-20.7	0	0	0	108.2	Q272 D276 D277	Q272-N274 PolarHBondContact O-N 2.69Å; N274-D276 PolarHBondContact O-N 3.28Å; N274-D277 PolarHBondContact O-N 3.14Å
275	N	44.3	Very low	51.3	Low	126 Å²	126	99.3 Å²	99.3	67%	0.674	52%	0.52	S	S	*	.	H	α-helix	trans	-61.2	-28.4	-176.3	-75	-34.9	0	0	0	112.8	V278 L279	N275-V278 PolarHBondContact O-N 2.64Å; N275-L279 PolarHBondContact O-N 2.81Å
276	D	46.3	Very low	54.7	Low	125 Å²	125	93.4 Å²	93.4	67%	0.668	48%	0.481	S	S	*	.	H	α-helix	trans	-67.4	-37.6	-178.3	-56.1	-42.3	0	0	0	112.4	N274 V278 L279 S280	N274-D276 PolarHBondContact O-N 3.28Å; D276-V278 VanDerWaalsContact C-N 3.34Å; D276-V278 PolarHBondContact O-N 2.91Å; D276-L279 PolarHBondContact O-N 3.3Å; D276-S280 VanDerWaalsContact O-CB 3.27Å; D276-S280 WeakPolarHBondContact O-CB 3.09Å; D276-S280 PolarHBondContact O-N 3.12Å; D276-S280 PolarHBondContact O-OG 3.21Å
277	D	52.1	Low	57.9	Low	96 Å²	96	89.9 Å²	89.9	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-69.2	-32.1	179.4	-66.4	-42.8	0	0	0	112.6	N274 S280 A281	N274-D277 PolarHBondContact O-N 3.14Å; D277-S280 WeakPolarHBondContact CA-OG 3.4Å; D277-S280 PolarHBondContact O-OG 3.15Å; D277-A281 PolarHBondContact O-N 3.4Å
278	V	55.9	Low	61.4	Low	18 Å²	18	84 Å²	84	11%	0.109	45%	0.452	C	S	.	.	H	α-helix	trans	-71.8	-36.5	-179.9	-178	0	0	0	0	111.2	Q273 N275 D276 A371 V373	Q273-V278 HydrophobicContact CB-CG2 4.3Å; Q273-V278 HydrophobicContact CG-CG2 4.16Å; N275-V278 PolarHBondContact O-N 2.64Å; D276-V278 VanDerWaalsContact C-N 3.34Å; D276-V278 PolarHBondContact O-N 2.91Å; V278-A371 HydrophobicContact CG1-CB 4.33Å; V278-V373 HydrophobicContact CG1-CG2 3.52Å
279	L	60.7	Low	64.6	Low	96 Å²	96	81.8 Å²	81.8	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-82.2	-26.9	176	-64.8	178.6	0	0	0	112.7	N275 D276 N294 A371	N275-L279 PolarHBondContact O-N 2.81Å; D276-L279 PolarHBondContact O-N 3.3Å; L279-N294 PolarHBondContact O-ND2 3.49Å; L279-A371 HydrophobicContact CD2-CB 4.04Å
280	S	68.5	Low	67.9	Low	62 Å²	62	75.6 Å²	75.6	43%	0.434	40%	0.403	S	S	.	.	H	α-helix	trans	-76.7	-23.9	178.5	75.6	0	0	0	0	113.7	D276 D277 S282 R296	D276-S280 VanDerWaalsContact O-CB 3.27Å; D276-S280 WeakPolarHBondContact O-CB 3.09Å; D276-S280 PolarHBondContact O-N 3.12Å; D276-S280 PolarHBondContact O-OG 3.21Å; D277-S280 WeakPolarHBondContact CA-OG 3.4Å; D277-S280 PolarHBondContact O-OG 3.15Å; S280-S282 PolarHBondContact O-N 2.8Å; S280-R296 PolarHBondContact O-NH1 3.36Å; S280-R296 PolarHBondContact O-NH2 3.21Å
281	A	77.8	Confident	71.4	Confident	21 Å²	21	69.1 Å²	69.1	17%	0.174	37%	0.372	C	S	.	.			trans	-43	122.2	-178.7	0	0	0	0	0	114	D277 N294 R296 V406	D277-A281 PolarHBondContact O-N 3.4Å; A281-N294 PolarHBondContact O-ND2 3.36Å; A281-R296 PolarHBondContact O-NH2 3.39Å; A281-V406 HydrophobicContact CB-CG2 4.08Å
282	S	86.5	Confident	74.5	Confident	86 Å²	86	65.3 Å²	65.3	60%	0.601	35%	0.353	S	S	*	.			trans	-66.1	157.9	-177.3	53.3	0	0	0	0	113.6	S280 S284 R404	S280-S282 PolarHBondContact O-N 2.8Å; S282-S284 PolarHBondContact O-OG 2.93Å; S282-R404 PolarHBondContact O-NH1 3.25Å
283	I	95.4	Very high	77.7	Confident	35 Å²	35	56.4 Å²	56.4	18%	0.179	31%	0.311	C	S	.	.			trans	-55.7	140.8	172.7	-169.3	165.5	0	0	0	111.5	Y291 D297 L303 L307 L366	I283-Y291 HydrophobicContact CD1-CD1 4.25Å; I283-Y291 HydrophobicContact CD1-CG 4.49Å; I283-Y291 HydrophobicContact CG1-CD1 4.17Å; I283-D297 HydrophobicContact CB-CB 4.3Å; I283-D297 HydrophobicContact CD1-CB 4.35Å; I283-L303 HydrophobicContact CB-CD2 4.33Å; I283-L303 HydrophobicContact CD1-CD2 4.08Å; I283-L303 HydrophobicContact CG2-CD1 4.14Å; I283-L303 HydrophobicContact CG2-CD2 4.11Å; I283-L307 HydrophobicContact CD1-CD1 3.64Å; I283-L307 HydrophobicContact CG2-CD1 4.39Å; I283-L366 HydrophobicContact CD1-CD1 3.75Å; I283-L366 HydrophobicContact CG1-CD1 4.31Å
284	S	95.4	Very high	80.3	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.063	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.7	-170.2	-43.2	0	0	0	0	111	S282 I286 Y291 L292 R403 R404	S282-S284 PolarHBondContact O-OG 2.93Å; S284-I286 PolarHBondContact O-N 2.86Å; S284-Y291 WeakPolarHBondContact O-CA 3.14Å; S284-L292 PolarHBondContact N-O 3.26Å; S284-L292 PolarHBondContact O-N 3.08Å; S284-R403 WeakPolarHBondContact CB-O 3.43Å; S284-R404 WeakPolarHBondContact OG-CB 3.09Å; S284-R404 WeakPolarHBondContact OG-CG 3.44Å; S284-R404 PolarHBondContact OG-NH1 3.01Å
285	Q	97.6	Very high	83.2	Confident	94 Å²	94	46.1 Å²	46.1	44%	0.439	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.3	175.4	-168.7	179.7	28.2	0	0	110.1	L287 P288 Y291 R403	Q285-L287 VanDerWaalsContact CG-O 3.29Å; Q285-L287 WeakPolarHBondContact CG-O 3.31Å; Q285-P288 PolarHBondContact NE2-O 3.06Å; Q285-P288 VanDerWaalsContact NE2-O 3.07Å; Q285-Y291 HydrophobicContact CB-CD1 3.85Å; Q285-Y291 HydrophobicContact CB-CE1 3.56Å; Q285-Y291 HydrophobicContact CG-CD1 4.15Å; Q285-Y291 HydrophobicContact CG-CE1 3.68Å; Q285-Y291 HydrophobicContact CG-CE2 4.16Å; Q285-Y291 PolarHBondContact NE2-OH 3.33Å; Q285-Y291 VanDerWaalsContact NE2-OH 3.08Å; Q285-R403 WeakPolarHBondContact O-CD 3.5Å
286	I	96.7	Very high	85.5	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-45.5	-177.1	-55.4	-54.1	0	0	0	111.2	S284 L290 L292 V380 L384 F399 V400 R403	S284-I286 PolarHBondContact O-N 2.86Å; I286-L290 WeakPolarHBondContact CA-O 3.3Å; I286-L290 PolarHBondContact N-O 2.95Å; I286-L292 HydrophobicContact CD1-CB 4.11Å; I286-L292 HydrophobicContact CD1-CD2 4.05Å; I286-L292 HydrophobicContact CG1-CB 3.67Å; I286-L292 HydrophobicContact CG1-CD2 4.29Å; I286-V380 HydrophobicContact CB-CG1 4.39Å; I286-V380 HydrophobicContact CG1-CG1 4.2Å; I286-V380 HydrophobicContact CG2-CG1 3.83Å; I286-L384 HydrophobicContact CG2-CD1 4.33Å; I286-F399 HydrophobicContact CG2-CD1 4.2Å; I286-F399 HydrophobicContact CG2-CE1 3.81Å; I286-F399 VanDerWaalsContact O-CE1 3.31Å; I286-F399 WeakPolarHBondContact O-CE1 3.45Å; I286-V400 HydrophobicContact CD1-CG1 4.07Å; I286-V400 HydrophobicContact CG2-CG2 4.22Å; I286-R403 HydrophobicContact CD1-CB 3.9Å; I286-R403 PolarHBondContact O-NE 3.36Å
287	L	96.6	Very high	87.8	Confident	32 Å²	32	40 Å²	40	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	165.6	169.6	-59.3	171.7	0	0	0	108	Q285 F289 L290 Y383 L384 F399	Q285-L287 VanDerWaalsContact CG-O 3.29Å; Q285-L287 WeakPolarHBondContact CG-O 3.31Å; L287-F289 HydrophobicContact CB-CD1 4.37Å; L287-F289 HydrophobicContact CB-CE1 3.91Å; L287-F289 HydrophobicContact CB-CZ 4.21Å; L287-F289 HydrophobicContact CD1-CE1 4.03Å; L287-F289 HydrophobicContact CD1-CZ 3.72Å; L287-F289 PolarHBondContact O-N 2.88Å; L287-L290 HydrophobicContact CB-CB 4Å; L287-L290 HydrophobicContact CD1-CD2 4.22Å; L287-L290 PolarHBondContact N-O 3.27Å; L287-L290 VanDerWaalsContact N-O 3.14Å; L287-L290 PolarHBondContact O-N 3.17Å; L287-Y383 HydrophobicContact CD1-CD1 4.29Å; L287-Y383 HydrophobicContact CD1-CE1 3.69Å; L287-L384 HydrophobicContact CD1-CD2 4.01Å; L287-L384 HydrophobicContact CD2-CD2 4.37Å; L287-L384 HydrophobicContact CG-CD2 4.31Å; L287-F399 HydrophobicContact CD2-CE1 4.06Å; L287-F399 HydrophobicContact CD2-CZ 3.9Å
288	P	95.9	Very high	89.8	Confident	90 Å²	90	35.5 Å²	35.5	58%	0.584	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-34	-177.1	-32	37.6	0	0	0	115	Q285	Q285-P288 PolarHBondContact NE2-O 3.06Å; Q285-P288 VanDerWaalsContact NE2-O 3.07Å
289	F	97.6	Very high	91.6	Very high	27 Å²	27	38.8 Å²	38.8	12%	0.118	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	1.4	179.8	65.7	-85.3	0	0	0	114.4	L287 I355 R359 I364 V365 Y383	L287-F289 HydrophobicContact CB-CD1 4.37Å; L287-F289 HydrophobicContact CB-CE1 3.91Å; L287-F289 HydrophobicContact CB-CZ 4.21Å; L287-F289 HydrophobicContact CD1-CE1 4.03Å; L287-F289 HydrophobicContact CD1-CZ 3.72Å; L287-F289 PolarHBondContact O-N 2.88Å; F289-I355 HydrophobicContact CE2-CG2 3.82Å; F289-R359 HydrophobicContact CD1-CG 3.99Å; F289-R359 HydrophobicContact CD2-CB 3.95Å; F289-R359 HydrophobicContact CD2-CG 3.98Å; F289-R359 HydrophobicContact CE1-CG 3.87Å; F289-R359 HydrophobicContact CE2-CB 3.88Å; F289-R359 HydrophobicContact CE2-CG 3.85Å; F289-R359 HydrophobicContact CG-CB 4.47Å; F289-R359 HydrophobicContact CG-CG 4.08Å; F289-R359 HydrophobicContact CZ-CB 4.33Å; F289-R359 HydrophobicContact CZ-CG 3.83Å; F289-I364 HydrophobicContact CB-CD1 4.14Å; F289-V365 PolarHBondContact O-N 2.84Å; F289-Y383 HydrophobicContact CE2-CE1 4.37Å; F289-Y383 AromaticContact CZ-CE1 4Å; F289-Y383 HydrophobicContact CZ-CE1 4Å; F289-Y383 AromaticContact CZ-CZ 3.97Å; F289-Y383 WeakPolarHBondContact CZ-OH 3.48Å
290	L	98.6	Very high	93.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114	-171.4	-177	64.4	0	0	0	111.1	I286 L287 I355 V365 V367 V380 Y383	I286-L290 WeakPolarHBondContact CA-O 3.3Å; I286-L290 PolarHBondContact N-O 2.95Å; L287-L290 HydrophobicContact CB-CB 4Å; L287-L290 HydrophobicContact CD1-CD2 4.22Å; L287-L290 PolarHBondContact N-O 3.27Å; L287-L290 VanDerWaalsContact N-O 3.14Å; L287-L290 PolarHBondContact O-N 3.17Å; L290-I355 HydrophobicContact CD1-CD1 4.34Å; L290-I355 HydrophobicContact CD1-CG1 4.46Å; L290-I355 HydrophobicContact CD1-CG2 4.23Å; L290-V365 HydrophobicContact CD1-CB 4.01Å; L290-V365 HydrophobicContact CD1-CG1 4.2Å; L290-V367 HydrophobicContact CD1-CG2 3.78Å; L290-V380 HydrophobicContact CD2-CG1 4.4Å; L290-Y383 HydrophobicContact CD2-CD1 3.72Å; L290-Y383 HydrophobicContact CD2-CE1 4.22Å; L290-Y383 HydrophobicContact CD2-CG 4.43Å
291	Y	98.6	Very high	94.2	Very high	30 Å²	30	37.6 Å²	37.6	12%	0.118	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.8	178.8	-67.9	-101.2	0	0	0	111.3	I283 S284 Q285 L307 I364 V365 V367	I283-Y291 HydrophobicContact CD1-CD1 4.25Å; I283-Y291 HydrophobicContact CD1-CG 4.49Å; I283-Y291 HydrophobicContact CG1-CD1 4.17Å; S284-Y291 WeakPolarHBondContact O-CA 3.14Å; Q285-Y291 HydrophobicContact CB-CD1 3.85Å; Q285-Y291 HydrophobicContact CB-CE1 3.56Å; Q285-Y291 HydrophobicContact CG-CD1 4.15Å; Q285-Y291 HydrophobicContact CG-CE1 3.68Å; Q285-Y291 HydrophobicContact CG-CE2 4.16Å; Q285-Y291 PolarHBondContact NE2-OH 3.33Å; Q285-Y291 VanDerWaalsContact NE2-OH 3.08Å; Y291-L307 HydrophobicContact CD1-CD1 4Å; Y291-L307 HydrophobicContact CE1-CD1 3.93Å; Y291-L307 HydrophobicContact CE1-CD2 3.88Å; Y291-L307 HydrophobicContact CE1-CG 4.48Å; Y291-I364 HydrophobicContact CD2-CG2 3.58Å; Y291-I364 HydrophobicContact CE2-CG2 3.49Å; Y291-I364 VanDerWaalsContact CE2-CG2 3.49Å; Y291-V365 PolarHBondContact N-O 2.83Å; Y291-V367 PolarHBondContact O-N 3.47Å
292	L	98.5	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.6	178.7	169.9	64.7	0	0	0	108.9	S284 I286 V367 S376 V377 V380 V400 R404	S284-L292 PolarHBondContact N-O 3.26Å; S284-L292 PolarHBondContact O-N 3.08Å; I286-L292 HydrophobicContact CD1-CB 4.11Å; I286-L292 HydrophobicContact CD1-CD2 4.05Å; I286-L292 HydrophobicContact CG1-CB 3.67Å; I286-L292 HydrophobicContact CG1-CD2 4.29Å; L292-V367 WeakPolarHBondContact CA-O 3.36Å; L292-S376 WeakPolarHBondContact CD1-OG 3.46Å; L292-V377 HydrophobicContact CD1-CG2 4.12Å; L292-V377 HydrophobicContact CD2-CG2 3.89Å; L292-V380 HydrophobicContact CB-CG2 4.43Å; L292-V380 HydrophobicContact CD1-CG2 4.14Å; L292-V400 HydrophobicContact CD2-CG1 3.65Å; L292-R404 HydrophobicContact CD2-CB 4.21Å; L292-R404 VanDerWaalsContact CD2-CD 3.49Å; L292-R404 HydrophobicContact CD2-CG 4.46Å
293	G	95.7	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	-175.5	-175.5	0	0	0	0	0	114.9	D297 V367 H368 G372	G293-D297 WeakPolarHBondContact CA-OD2 3.48Å; G293-V367 PolarHBondContact N-O 2.87Å; G293-H368 WeakPolarHBondContact O-CA 3.42Å; G293-H368 WeakPolarHBondContact O-CB 3.41Å; G293-G372 WeakPolarHBondContact O-CA 3.49Å
294	N	94.7	Very high	95.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.191	C	C	.	.			trans	-111.1	-170.6	179.5	69.5	28.5	0	0	0	112	L279 A281 R296 D297 S298 C369 L370 A371	L279-N294 PolarHBondContact O-ND2 3.49Å; A281-N294 PolarHBondContact O-ND2 3.36Å; N294-R296 WeakPolarHBondContact OD1-CA 3.12Å; N294-R296 WeakPolarHBondContact OD1-CB 3Å; N294-R296 PolarHBondContact OD1-N 3.01Å; N294-D297 PolarHBondContact N-OD2 2.71Å; N294-D297 PolarHBondContact O-N 3.26Å; N294-D297 PolarHBondContact OD1-N 3.5Å; N294-D297 PolarHBondContact OD1-OD1 3.38Å; N294-D297 PolarHBondContact OD1-OD2 2.88Å; N294-S298 PolarHBondContact O-N 2.9Å; N294-C369 CarbonylContact C-O 3.6Å; N294-C369 VanDerWaalsContact C-O 3.3Å; N294-L370 WeakPolarHBondContact CB-O 3.36Å; N294-A371 VanDerWaalsContact CB-C 3.49Å
295	A	94	Very high	95	Very high	15 Å²	15	44 Å²	44	12%	0.124	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-41.5	-179.8	0	0	0	0	0	113.3	S298 Q299 L319 C369 L370	A295-S298 PolarHBondContact O-N 3.21Å; A295-S298 PolarHBondContact O-OG 2.97Å; A295-Q299 WeakPolarHBondContact O-CG 3.5Å; A295-Q299 PolarHBondContact O-N 3.05Å; A295-L319 HydrophobicContact CB-CD1 3.67Å; A295-L319 HydrophobicContact CB-CD2 4.18Å; A295-C369 PolarHBondContact N-O 3.46Å; A295-C369 VanDerWaalsContact N-O 3.13Å; A295-L370 HydrophobicContact CB-CD1 4.1Å; A295-L370 WeakPolarHBondContact CB-O 3.44Å; A295-L370 PolarHBondContact N-O 2.68Å
296	R	93.5	Very high	94.9	Very high	119 Å²	119	46.8 Å²	46.8	45%	0.449	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-51.2	177.1	-179.7	-166.7	64.8	-158.8	-9.5	110.2	S280 A281 N294 S298 Q299 D300	S280-R296 PolarHBondContact O-NH1 3.36Å; S280-R296 PolarHBondContact O-NH2 3.21Å; A281-R296 PolarHBondContact O-NH2 3.39Å; N294-R296 WeakPolarHBondContact OD1-CA 3.12Å; N294-R296 WeakPolarHBondContact OD1-CB 3Å; N294-R296 PolarHBondContact OD1-N 3.01Å; R296-S298 PolarHBondContact O-N 3.36Å; R296-S298 VanDerWaalsContact O-N 3.14Å; R296-Q299 PolarHBondContact O-N 3.04Å; R296-D300 PolarHBondContact O-N 3.14Å
297	D	94.4	Very high	94.8	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.4	-179.2	-45.9	-32.1	0	0	0	112.2	I283 G293 N294 L303	I283-D297 HydrophobicContact CB-CB 4.3Å; I283-D297 HydrophobicContact CD1-CB 4.35Å; G293-D297 WeakPolarHBondContact CA-OD2 3.48Å; N294-D297 PolarHBondContact N-OD2 2.71Å; N294-D297 PolarHBondContact O-N 3.26Å; N294-D297 PolarHBondContact OD1-N 3.5Å; N294-D297 PolarHBondContact OD1-OD1 3.38Å; N294-D297 PolarHBondContact OD1-OD2 2.88Å; D297-L303 HydrophobicContact CB-CD2 4Å
298	S	94	Very high	94.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.014	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.6	178.2	75.5	0	0	0	0	115.4	N294 A295 R296 F323 H368	N294-S298 PolarHBondContact O-N 2.9Å; A295-S298 PolarHBondContact O-N 3.21Å; A295-S298 PolarHBondContact O-OG 2.97Å; R296-S298 PolarHBondContact O-N 3.36Å; R296-S298 VanDerWaalsContact O-N 3.14Å; S298-F323 WeakPolarHBondContact O-CE2 3.12Å; S298-H368 WeakPolarHBondContact CB-CE1 3.34Å; S298-H368 VanDerWaalsContact CB-CG 3.43Å; S298-H368 WeakPolarHBondContact CB-ND1 3.26Å; S298-H368 PolarHBondContact OG-CE1 3.23Å; S298-H368 VanDerWaalsContact OG-CE1 3.23Å; S298-H368 PolarHBondContact OG-ND1 2.99Å
299	Q	92.2	Very high	94.8	Very high	87 Å²	87	48.4 Å²	48.4	41%	0.407	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-19	-178.5	-68	174.9	7	0	0	112.3	A295 R296 V301	A295-Q299 WeakPolarHBondContact O-CG 3.5Å; A295-Q299 PolarHBondContact O-N 3.05Å; R296-Q299 PolarHBondContact O-N 3.04Å; Q299-V301 PolarHBondContact O-N 3.09Å
300	D	92.4	Very high	94.7	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	24%	0.24	S	C	.	.			trans	-68.6	107.5	177.4	-172.7	-27.6	0	0	0	111.8	R296 D302 L303 I304	R296-D300 PolarHBondContact O-N 3.14Å; D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 3.18Å; D300-D302 PolarHBondContact OD1-N 2.81Å; D300-L303 HydrophobicContact CB-CB 3.83Å; D300-L303 HydrophobicContact CB-CD2 4.42Å; D300-L303 PolarHBondContact OD1-N 3.41Å; D300-I304 WeakPolarHBondContact O-CB 3.47Å; D300-I304 WeakPolarHBondContact O-CG1 3.42Å; D300-I304 PolarHBondContact O-N 3.01Å
301	V	91.3	Very high	94.7	Very high	67 Å²	67	49.9 Å²	49.9	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-35.5	-178.3	-170.6	0	0	0	0	112.1	Q299 R305 F323	Q299-V301 PolarHBondContact O-N 3.09Å; V301-R305 WeakPolarHBondContact O-CB 3.39Å; V301-R305 PolarHBondContact O-N 2.58Å; V301-R305 VanDerWaalsContact O-N 3.08Å; V301-F323 HydrophobicContact CB-CE1 4.03Å; V301-F323 HydrophobicContact CB-CZ 4.26Å; V301-F323 HydrophobicContact CG1-CE1 3.91Å; V301-F323 HydrophobicContact CG2-CE1 3.74Å; V301-F323 HydrophobicContact CG2-CZ 3.98Å
302	D	92.6	Very high	94.7	Very high	101 Å²	101	48.4 Å²	48.4	54%	0.54	24%	0.237	S	C	.	.	H	α-helix	trans	-82	-39.1	-171.7	-63.4	-36.8	0	0	0	110.3	D300 R305 Q306	D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 3.18Å; D300-D302 PolarHBondContact OD1-N 2.81Å; D302-R305 PolarHBondContact O-N 3.44Å; D302-R305 IonicContact OD1-CZ 2.93Å; D302-R305 IonicContact OD1-NH1 3.04Å; D302-R305 PolarHBondContact OD1-NH1 3.36Å; D302-R305 IonicContact OD1-NH2 2.8Å; D302-Q306 VanDerWaalsContact O-CB 3.27Å; D302-Q306 WeakPolarHBondContact O-CB 3.49Å; D302-Q306 PolarHBondContact O-N 3.39Å
303	L	93.8	Very high	94.7	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-47.2	169.4	-177.3	66.7	0	0	0	112	I283 D297 D300 R305 Q306 L307	I283-L303 HydrophobicContact CB-CD2 4.33Å; I283-L303 HydrophobicContact CD1-CD2 4.08Å; I283-L303 HydrophobicContact CG2-CD1 4.14Å; I283-L303 HydrophobicContact CG2-CD2 4.11Å; D297-L303 HydrophobicContact CB-CD2 4Å; D300-L303 HydrophobicContact CB-CB 3.83Å; D300-L303 HydrophobicContact CB-CD2 4.42Å; D300-L303 PolarHBondContact OD1-N 3.41Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 2.8Å; L303-Q306 PolarHBondContact O-N 2.94Å; L303-L307 HydrophobicContact CD1-CD1 3.87Å; L303-L307 HydrophobicContact CD1-CG 4.19Å; L303-L307 HydrophobicContact CG-CD1 4.06Å; L303-L307 WeakPolarHBondContact O-CB 3.35Å; L303-L307 WeakPolarHBondContact O-CG 3.11Å; L303-L307 PolarHBondContact O-N 2.83Å
304	I	94.3	Very high	94.8	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-38.3	178.2	-73.9	-68.3	0	0	0	111.3	D300 N308 V309 I312 F323 I329 L366	D300-I304 WeakPolarHBondContact O-CB 3.47Å; D300-I304 WeakPolarHBondContact O-CG1 3.42Å; D300-I304 PolarHBondContact O-N 3.01Å; I304-N308 PolarHBondContact O-N 3.06Å; I304-V309 HydrophobicContact CD1-CB 3.91Å; I304-V309 HydrophobicContact CD1-CG1 4.05Å; I304-V309 HydrophobicContact CD1-CG2 3.96Å; I304-V309 HydrophobicContact CG2-CB 4.29Å; I304-V309 PolarHBondContact O-N 2.9Å; I304-I312 HydrophobicContact CD1-CD1 3.93Å; I304-F323 HydrophobicContact CB-CE2 4.25Å; I304-F323 HydrophobicContact CB-CZ 4.35Å; I304-F323 HydrophobicContact CG1-CD2 4.48Å; I304-F323 HydrophobicContact CG1-CE2 3.76Å; I304-F323 HydrophobicContact CG1-CZ 4.2Å; I304-F323 HydrophobicContact CG2-CD2 4.26Å; I304-F323 HydrophobicContact CG2-CE2 4.14Å; I304-F323 HydrophobicContact CG2-CZ 4.39Å; I304-I329 HydrophobicContact CG2-CD1 3.47Å; I304-I329 VanDerWaalsContact CG2-CD1 3.47Å; I304-L366 HydrophobicContact CD1-CD2 3.69Å
305	R	92.3	Very high	94.9	Very high	151 Å²	151	48.3 Å²	48.3	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-70.2	-46.9	174.4	-165.5	-174.7	-56.8	106.5	-0.6	111.9	V301 D302 L303 L307 N308	V301-R305 WeakPolarHBondContact O-CB 3.39Å; V301-R305 PolarHBondContact O-N 2.58Å; V301-R305 VanDerWaalsContact O-N 3.08Å; D302-R305 PolarHBondContact O-N 3.44Å; D302-R305 IonicContact OD1-CZ 2.93Å; D302-R305 IonicContact OD1-NH1 3.04Å; D302-R305 PolarHBondContact OD1-NH1 3.36Å; D302-R305 IonicContact OD1-NH2 2.8Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 2.8Å; R305-L307 VanDerWaalsContact C-N 3.34Å; R305-L307 PolarHBondContact O-N 3.36Å; R305-N308 PolarHBondContact O-N 3.39Å; R305-N308 VanDerWaalsContact O-N 3.07Å
306	Q	95	Very high	95	Very high	152 Å²	152	47.7 Å²	47.7	71%	0.71	23%	0.231	S	C	*	.	H	α-helix	trans	-60.4	-41.6	-179.1	-178.5	-178.2	-4.4	0	0	112.1	D302 L303 N308	D302-Q306 VanDerWaalsContact O-CB 3.27Å; D302-Q306 WeakPolarHBondContact O-CB 3.49Å; D302-Q306 PolarHBondContact O-N 3.39Å; L303-Q306 PolarHBondContact O-N 2.94Å; Q306-N308 VanDerWaalsContact C-N 3.27Å; Q306-N308 PolarHBondContact O-N 2.87Å; Q306-N308 PolarHBondContact O-ND2 3.08Å
307	L	95.2	Very high	94.8	Very high	33 Å²	33	45.2 Å²	45.2	17%	0.173	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.8	177.7	-64.4	-179.7	0	0	0	113.7	I283 Y291 L303 R305 V309	I283-L307 HydrophobicContact CD1-CD1 3.64Å; I283-L307 HydrophobicContact CG2-CD1 4.39Å; Y291-L307 HydrophobicContact CD1-CD1 4Å; Y291-L307 HydrophobicContact CE1-CD1 3.93Å; Y291-L307 HydrophobicContact CE1-CD2 3.88Å; Y291-L307 HydrophobicContact CE1-CG 4.48Å; L303-L307 HydrophobicContact CD1-CD1 3.87Å; L303-L307 HydrophobicContact CD1-CG 4.19Å; L303-L307 HydrophobicContact CG-CD1 4.06Å; L303-L307 WeakPolarHBondContact O-CB 3.35Å; L303-L307 WeakPolarHBondContact O-CG 3.11Å; L303-L307 PolarHBondContact O-N 2.83Å; R305-L307 VanDerWaalsContact C-N 3.34Å; R305-L307 PolarHBondContact O-N 3.36Å; L307-V309 HydrophobicContact CB-CG2 3.89Å; L307-V309 PolarHBondContact O-N 3.13Å
308	N	94.8	Very high	94.5	Very high	119 Å²	119	51.2 Å²	51.2	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	42.3	-175.5	-63.9	-78.1	0	0	0	113.1	I304 R305 Q306 T310	I304-N308 PolarHBondContact O-N 3.06Å; R305-N308 PolarHBondContact O-N 3.39Å; R305-N308 VanDerWaalsContact O-N 3.07Å; Q306-N308 VanDerWaalsContact C-N 3.27Å; Q306-N308 PolarHBondContact O-N 2.87Å; Q306-N308 PolarHBondContact O-ND2 3.08Å; N308-T310 PolarHBondContact O-N 2.96Å
309	V	96.7	Very high	94.3	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124.6	-179.4	177.3	0	0	0	0	109.8	I304 L307 H311 I312 I364 L366	I304-V309 HydrophobicContact CD1-CB 3.91Å; I304-V309 HydrophobicContact CD1-CG1 4.05Å; I304-V309 HydrophobicContact CD1-CG2 3.96Å; I304-V309 HydrophobicContact CG2-CB 4.29Å; I304-V309 PolarHBondContact O-N 2.9Å; L307-V309 HydrophobicContact CB-CG2 3.89Å; L307-V309 PolarHBondContact O-N 3.13Å; V309-H311 WeakPolarHBondContact CG1-O 3.45Å; V309-I312 HydrophobicContact CG1-CD1 4.26Å; V309-I312 HydrophobicContact CG1-CG1 3.69Å; V309-I364 HydrophobicContact CG2-CG2 4.17Å; V309-L366 HydrophobicContact CG1-CB 3.95Å; V309-L366 HydrophobicContact CG2-CB 4.46Å
310	T	96.5	Very high	94.1	Very high	45 Å²	45	52 Å²	52	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-20.3	-178.2	55.2	0	0	0	0	112.5	N308 I329 Q330 G363 I364	N308-T310 PolarHBondContact O-N 2.96Å; T310-I329 WeakPolarHBondContact O-CA 3.42Å; T310-Q330 PolarHBondContact O-N 3.18Å; T310-G363 WeakPolarHBondContact OG1-CA 3.36Å; T310-I364 PolarHBondContact N-O 3.33Å; T310-I364 PolarHBondContact OG1-N 2.85Å; T310-I364 PolarHBondContact OG1-O 3.27Å
311	H	98	Very high	94	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.5	-174.9	-67.8	77.3	0	0	0	109.7	V309 Q330 F354 A358 I364 V365 L366	V309-H311 WeakPolarHBondContact CG1-O 3.45Å; H311-Q330 CarbonylContact C-O 3.6Å; H311-Q330 VanDerWaalsContact CA-O 3.3Å; H311-Q330 WeakPolarHBondContact CA-O 3.49Å; H311-F354 HydrophobicContact CB-CE1 3.76Å; H311-F354 HydrophobicContact CB-CZ 3.92Å; H311-F354 AromaticContact CD2-CE2 3.99Å; H311-F354 AromaticContact CD2-CZ 3.72Å; H311-A358 HydrophobicContact CB-CB 4.08Å; H311-A358 WeakPolarHBondContact ND1-CB 3.05Å; H311-I364 PolarHBondContact N-O 2.71Å; H311-I364 VanDerWaalsContact N-O 3.13Å; H311-V365 HydrophobicContact CB-CB 4.43Å; H311-V365 HydrophobicContact CB-CG1 4.23Å; H311-V365 HydrophobicContact CB-CG2 4.08Å; H311-V365 CarbonylContact O-C 3.53Å; H311-V365 VanDerWaalsContact O-CA 3.28Å; H311-V365 WeakPolarHBondContact O-CA 3.2Å; H311-L366 PolarHBondContact O-N 3.03Å
312	I	98	Very high	93.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.3	178.7	-57.9	-178.8	0	0	0	110	I304 V309 F323 I329 Q330 Y331 L332 L366	I304-I312 HydrophobicContact CD1-CD1 3.93Å; V309-I312 HydrophobicContact CG1-CD1 4.26Å; V309-I312 HydrophobicContact CG1-CG1 3.69Å; I312-F323 HydrophobicContact CD1-CD2 3.94Å; I312-I329 HydrophobicContact CB-CG2 4.5Å; I312-I329 HydrophobicContact CD1-CG2 3.77Å; I312-I329 HydrophobicContact CG1-CG2 3.8Å; I312-Q330 PolarHBondContact N-O 3.33Å; I312-Y331 HydrophobicContact CB-CD1 3.8Å; I312-Y331 HydrophobicContact CB-CE1 3.66Å; I312-Y331 HydrophobicContact CB-CG 4.48Å; I312-Y331 HydrophobicContact CD1-CE1 4.08Å; I312-Y331 HydrophobicContact CG1-CE1 4.4Å; I312-Y331 HydrophobicContact CG2-CD1 3.99Å; I312-Y331 HydrophobicContact CG2-CE1 3.63Å; I312-Y331 CarbonylContact O-C 3.56Å; I312-Y331 WeakPolarHBondContact O-CA 3.35Å; I312-L332 PolarHBondContact O-N 3.02Å; I312-L366 CarbonylContact C-O 3.29Å; I312-L366 WeakPolarHBondContact CA-O 3.32Å; I312-L366 HydrophobicContact CG1-CB 4.4Å
313	I	98.5	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.6	168.1	-51.3	-174.7	0	0	0	108.8	V315 L332 I334 A351 F354 I355 V365 L366 V367 H368 V379	I313-V315 HydrophobicContact CG2-CG2 3.79Å; I313-L332 CarbonylContact C-O 3.6Å; I313-L332 VanDerWaalsContact CA-O 3.3Å; I313-L332 WeakPolarHBondContact CA-O 3.27Å; I313-L332 HydrophobicContact CD1-CD2 4.3Å; I313-L332 HydrophobicContact CG1-CB 4.29Å; I313-L332 HydrophobicContact CG1-CD2 4.42Å; I313-L332 HydrophobicContact CG2-CD2 4.35Å; I313-L332 HydrophobicContact CG2-CG 4.42Å; I313-I334 HydrophobicContact CG2-CD1 3.89Å; I313-I334 HydrophobicContact CG2-CG1 4.43Å; I313-A351 HydrophobicContact CD1-CB 4.2Å; I313-F354 HydrophobicContact CD1-CD1 3.83Å; I313-F354 HydrophobicContact CD1-CE1 4.42Å; I313-F354 HydrophobicContact CG1-CD1 3.59Å; I313-F354 HydrophobicContact CG1-CE1 3.69Å; I313-I355 HydrophobicContact CD1-CD1 3.92Å; I313-I355 HydrophobicContact CD1-CG1 3.73Å; I313-V365 HydrophobicContact CG1-CG1 4.39Å; I313-L366 PolarHBondContact N-O 2.92Å; I313-V367 HydrophobicContact CB-CB 4.45Å; I313-V367 HydrophobicContact CB-CG1 4.14Å; I313-V367 HydrophobicContact CB-CG2 4.24Å; I313-V367 HydrophobicContact CD1-CG2 4Å; I313-V367 HydrophobicContact CG1-CG2 4.27Å; I313-V367 HydrophobicContact CG2-CG1 4.41Å; I313-H368 PolarHBondContact O-CD2 3.07Å; I313-H368 PolarHBondContact O-N 3.14Å; I313-V379 HydrophobicContact CD1-CG1 4.27Å
314	N	97.8	Very high	92.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.2	172.6	-179.1	-5.5	0	0	0	109.2	T316 L319 M321 L332 I334 H368	N314-T316 PolarHBondContact OD1-N 2.73Å; N314-T316 PolarHBondContact OD1-OG1 3.01Å; N314-L319 PolarHBondContact ND2-O 3.32Å; N314-M321 HydrophobicContact CB-CG 4.49Å; N314-L332 PolarHBondContact N-O 3.17Å; N314-I334 PolarHBondContact O-N 3.44Å; N314-H368 WeakPolarHBondContact CA-NE2 3.41Å; N314-H368 VanDerWaalsContact CB-NE2 3.31Å; N314-H368 WeakPolarHBondContact CB-NE2 3.3Å
315	V	97.9	Very high	91.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.3	C	S	.	.			trans	-104.9	58.4	179.1	-159.5	0	0	0	0	110.1	I313 I334 A336 L344 V367 H368 C369 R375 V379	I313-V315 HydrophobicContact CG2-CG2 3.79Å; V315-I334 CarbonylContact C-O 3.52Å; V315-I334 WeakPolarHBondContact CA-O 3.39Å; V315-I334 HydrophobicContact CG1-CB 4.33Å; V315-I334 HydrophobicContact CG1-CG2 4.27Å; V315-A336 HydrophobicContact CG1-CB 3.98Å; V315-L344 HydrophobicContact CG1-CD2 4.09Å; V315-V367 HydrophobicContact CG2-CG1 4.18Å; V315-H368 PolarHBondContact N-O 3.08Å; V315-C369 HydrophobicContact CB-CB 4.4Å; V315-C369 WeakPolarHBondContact O-CB 3.37Å; V315-R375 HydrophobicContact CB-CB 4.21Å; V315-R375 HydrophobicContact CG1-CB 3.8Å; V315-R375 HydrophobicContact CG1-CG 4.45Å; V315-R375 WeakPolarHBondContact O-CD 3.43Å; V315-V379 HydrophobicContact CG1-CG2 4.23Å; V315-V379 HydrophobicContact CG2-CB 4.44Å; V315-V379 HydrophobicContact CG2-CG2 3.9Å
316	T	94.9	Very high	91.1	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.012	30%	0.296	C	S	.	.	S	Bend	trans	-147.7	158.1	174.5	70.4	0	0	0	0	110.7	N314 L319 H333 I334 C369	N314-T316 PolarHBondContact OD1-N 2.73Å; N314-T316 PolarHBondContact OD1-OG1 3.01Å; T316-L319 HydrophobicContact CG2-CD1 3.64Å; T316-L319 HydrophobicContact CG2-CG 3.99Å; T316-L319 VanDerWaalsContact OG1-CB 3.27Å; T316-L319 WeakPolarHBondContact OG1-CB 3.47Å; T316-L319 WeakPolarHBondContact OG1-CG 3.42Å; T316-L319 PolarHBondContact OG1-N 3.17Å; T316-H333 PolarHBondContact O-CD2 3.02Å; T316-H333 PolarHBondContact O-NE2 3.33Å; T316-I334 PolarHBondContact N-O 2.98Å; T316-C369 HydrophobicContact CG2-CB 3.99Å
317	D	90.2	Very high	90.2	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	-73.6	-41.2	174.8	-55.5	-59.3	0	0	0	113.1	P335 A336 T337	D317-P335 VanDerWaalsContact OD1-CA 3.27Å; D317-P335 WeakPolarHBondContact OD1-CA 3.27Å; D317-P335 VanDerWaalsContact OD1-CB 3.24Å; D317-P335 WeakPolarHBondContact OD1-CB 3.29Å; D317-A336 PolarHBondContact OD1-N 2.94Å; D317-T337 VanDerWaalsContact OD2-CG2 3.22Å; D317-T337 WeakPolarHBondContact OD2-CG2 3.34Å; D317-T337 PolarHBondContact OD2-N 3.06Å
318	T	87.6	Confident	89.7	Confident	130 Å²	130	67.9 Å²	67.9	80%	0.798	34%	0.337	S	S	*	.	S	Bend	trans	-115.5	-12.6	-160.5	53.1	0	0	0	0	116.2
319	L	90.7	Very high	89.6	Confident	26 Å²	26	63.2 Å²	63.2	14%	0.136	31%	0.313	C	S	.	.			trans	-69.2	134.1	-177	-66.5	-179.7	0	0	0	111.3	A295 N314 T316 L370	A295-L319 HydrophobicContact CB-CD1 3.67Å; A295-L319 HydrophobicContact CB-CD2 4.18Å; N314-L319 PolarHBondContact ND2-O 3.32Å; T316-L319 HydrophobicContact CG2-CD1 3.64Å; T316-L319 HydrophobicContact CG2-CG 3.99Å; T316-L319 VanDerWaalsContact OG1-CB 3.27Å; T316-L319 WeakPolarHBondContact OG1-CB 3.47Å; T316-L319 WeakPolarHBondContact OG1-CG 3.42Å; T316-L319 PolarHBondContact OG1-N 3.17Å; L319-L370 HydrophobicContact CD2-CD1 4.38Å
320	P	87.3	Confident	89.5	Confident	78 Å²	78	67.3 Å²	67.3	51%	0.506	33%	0.331	S	S	.	.			trans	-65.3	154.4	178.7	28.3	-35.4	0	0	0	111.7	P322	P320-P322 VanDerWaalsContact C-CD 3.49Å; P320-P322 WeakPolarHBondContact O-CD 3.42Å
321	M	91.2	Very high	89.5	Confident	36 Å²	36	66.9 Å²	66.9	18%	0.177	33%	0.325	C	S	.	.			trans	-110.9	75.8	174.6	-68.9	175.9	-92.1	0	0	109	N314 F323 R324 Y331 H333	N314-M321 HydrophobicContact CB-CG 4.49Å; M321-F323 VanDerWaalsContact C-N 3.25Å; M321-F323 PolarHBondContact O-N 2.87Å; M321-R324 HydrophobicContact CB-CB 4.09Å; M321-R324 WeakPolarHBondContact O-CB 3.37Å; M321-R324 PolarHBondContact O-N 3.31Å; M321-Y331 HydrophobicContact CB-CD1 3.92Å; M321-Y331 HydrophobicContact CB-CD2 4.47Å; M321-Y331 HydrophobicContact CB-CE1 3.58Å; M321-Y331 HydrophobicContact CB-CE2 4.17Å; M321-Y331 HydrophobicContact CB-CG 4.32Å; M321-Y331 HydrophobicContact CG-CD1 3.56Å; M321-Y331 HydrophobicContact CG-CE1 3.5Å; M321-Y331 VanDerWaalsContact CG-CE1 3.5Å; M321-Y331 HydrophobicContact CG-CG 4.26Å; M321-Y331 HydrophobicContact SD-CD1 3.55Å; M321-Y331 VanDerWaalsContact SD-CD1 3.55Å; M321-Y331 HydrophobicContact SD-CE1 4.16Å; M321-Y331 HydrophobicContact SD-CG 3.89Å; M321-H333 HydrophobicContact CE-CB 3.95Å; M321-H333 HydrophobicContact SD-CB 4.03Å
322	P	83.7	Confident	89.5	Confident	61 Å²	61	66.7 Å²	66.7	40%	0.396	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59.4	-35.8	-168.3	22.8	-33.8	0	0	0	112.7	P320 R324	P320-P322 VanDerWaalsContact C-CD 3.49Å; P320-P322 WeakPolarHBondContact O-CD 3.42Å; P322-R324 PolarHBondContact O-N 3.03Å
323	F	84.9	Confident	89.5	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.035	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-78.7	-1.1	-178.6	-46.5	-61.8	0	0	0	114.2	S298 V301 I304 I312 M321 K325 L326 I329 Y331	S298-F323 WeakPolarHBondContact O-CE2 3.12Å; V301-F323 HydrophobicContact CB-CE1 4.03Å; V301-F323 HydrophobicContact CB-CZ 4.26Å; V301-F323 HydrophobicContact CG1-CE1 3.91Å; V301-F323 HydrophobicContact CG2-CE1 3.74Å; V301-F323 HydrophobicContact CG2-CZ 3.98Å; I304-F323 HydrophobicContact CB-CE2 4.25Å; I304-F323 HydrophobicContact CB-CZ 4.35Å; I304-F323 HydrophobicContact CG1-CD2 4.48Å; I304-F323 HydrophobicContact CG1-CE2 3.76Å; I304-F323 HydrophobicContact CG1-CZ 4.2Å; I304-F323 HydrophobicContact CG2-CD2 4.26Å; I304-F323 HydrophobicContact CG2-CE2 4.14Å; I304-F323 HydrophobicContact CG2-CZ 4.39Å; I312-F323 HydrophobicContact CD1-CD2 3.94Å; M321-F323 VanDerWaalsContact C-N 3.25Å; M321-F323 PolarHBondContact O-N 2.87Å; F323-K325 PolarHBondContact O-N 3.3Å; F323-K325 VanDerWaalsContact O-N 3.15Å; F323-L326 HydrophobicContact CD1-CD2 4.46Å; F323-L326 WeakPolarHBondContact O-CA 3.44Å; F323-L326 WeakPolarHBondContact O-CB 3.12Å; F323-L326 PolarHBondContact O-N 3.33Å; F323-L326 VanDerWaalsContact O-O 3.14Å; F323-I329 HydrophobicContact CB-CB 4.15Å; F323-I329 HydrophobicContact CB-CD1 3.79Å; F323-I329 HydrophobicContact CB-CG1 4.44Å; F323-I329 HydrophobicContact CB-CG2 4.32Å; F323-I329 HydrophobicContact CD2-CD1 4.25Å; F323-I329 HydrophobicContact CG-CD1 3.95Å; F323-Y331 HydrophobicContact CB-CE2 3.92Å; F323-Y331 VanDerWaalsContact CD2-OH 3.26Å; F323-Y331 WeakPolarHBondContact CD2-OH 3.45Å; F323-Y331 PolarHBondContact N-OH 3.36Å
324	R	81.3	Confident	89.4	Confident	153 Å²	153	69.5 Å²	69.5	58%	0.577	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.1	-23.4	-177	-170.2	178.5	-178.1	122.3	-2.9	113.4	M321 P322 Y331	M321-R324 HydrophobicContact CB-CB 4.09Å; M321-R324 WeakPolarHBondContact O-CB 3.37Å; M321-R324 PolarHBondContact O-N 3.31Å; P322-R324 PolarHBondContact O-N 3.03Å; R324-Y331 HydrophobicContact CB-CD2 4.1Å; R324-Y331 HydrophobicContact CB-CE2 4.11Å; R324-Y331 HydrophobicContact CG-CD2 4.48Å
325	K	78.3	Confident	89.3	Confident	193 Å²	193	73 Å²	73	84%	0.839	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-82.3	-16.2	173	-64.9	-175.1	179.4	-178.5	0	113.2	F323 N327	F323-K325 PolarHBondContact O-N 3.3Å; F323-K325 VanDerWaalsContact O-N 3.15Å; K325-N327 PolarHBondContact O-N 3.44Å
326	L	74.8	Confident	89.1	Confident	91 Å²	91	73 Å²	73	48%	0.476	36%	0.36	S	S	.	.	S	Bend	trans	-88.3	106.2	173.7	-76.7	69	0	0	0	107.3	F323 R328 I329	F323-L326 HydrophobicContact CD1-CD2 4.46Å; F323-L326 WeakPolarHBondContact O-CA 3.44Å; F323-L326 WeakPolarHBondContact O-CB 3.12Å; F323-L326 PolarHBondContact O-N 3.33Å; F323-L326 VanDerWaalsContact O-O 3.14Å; L326-R328 PolarHBondContact O-N 2.81Å; L326-I329 PolarHBondContact O-N 3.32Å; L326-I329 VanDerWaalsContact O-N 3.15Å
327	N	75.1	Confident	88.8	Confident	168 Å²	168	75.4 Å²	75.4	90%	0.898	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	9.6	-178.6	-67.5	-12.2	0	0	0	115.6	K325	K325-N327 PolarHBondContact O-N 3.44Å
328	R	85.4	Confident	88.7	Confident	228 Å²	228	75 Å²	75	86%	0.86	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-19.2	176	-61.2	-176.4	-179.4	179.8	0.1	113.5	L326	L326-R328 PolarHBondContact O-N 2.81Å
329	I	93.5	Very high	88.2	Confident	22 Å²	22	71.8 Å²	71.8	11%	0.113	35%	0.353	C	S	.	.			trans	-116.9	118.8	-175.8	-64.6	-177.8	0	0	0	110.8	I304 T310 I312 F323 L326 Y331	I304-I329 HydrophobicContact CG2-CD1 3.47Å; I304-I329 VanDerWaalsContact CG2-CD1 3.47Å; T310-I329 WeakPolarHBondContact O-CA 3.42Å; I312-I329 HydrophobicContact CB-CG2 4.5Å; I312-I329 HydrophobicContact CD1-CG2 3.77Å; I312-I329 HydrophobicContact CG1-CG2 3.8Å; F323-I329 HydrophobicContact CB-CB 4.15Å; F323-I329 HydrophobicContact CB-CD1 3.79Å; F323-I329 HydrophobicContact CB-CG1 4.44Å; F323-I329 HydrophobicContact CB-CG2 4.32Å; F323-I329 HydrophobicContact CD2-CD1 4.25Å; F323-I329 HydrophobicContact CG-CD1 3.95Å; L326-I329 PolarHBondContact O-N 3.32Å; L326-I329 VanDerWaalsContact O-N 3.15Å; I329-Y331 HydrophobicContact CG2-CD2 4.11Å; I329-Y331 HydrophobicContact CG2-CE2 3.8Å
330	Q	94.8	Very high	87.4	Confident	93 Å²	93	75 Å²	75	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.7	174.5	-64.1	-176.8	40.7	0	0	110	T310 H311 I312 F354	T310-Q330 PolarHBondContact O-N 3.18Å; H311-Q330 CarbonylContact C-O 3.6Å; H311-Q330 VanDerWaalsContact CA-O 3.3Å; H311-Q330 WeakPolarHBondContact CA-O 3.49Å; I312-Q330 PolarHBondContact N-O 3.33Å; Q330-F354 HydrophobicContact CB-CE2 4.29Å; Q330-F354 HydrophobicContact CB-CZ 4.26Å
331	Y	95.9	Very high	87.1	Confident	35 Å²	35	80.7 Å²	80.7	14%	0.137	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.5	176.4	-83.4	-91.9	0	0	0	112.1	I312 M321 F323 R324 I329	I312-Y331 HydrophobicContact CB-CD1 3.8Å; I312-Y331 HydrophobicContact CB-CE1 3.66Å; I312-Y331 HydrophobicContact CB-CG 4.48Å; I312-Y331 HydrophobicContact CD1-CE1 4.08Å; I312-Y331 HydrophobicContact CG1-CE1 4.4Å; I312-Y331 HydrophobicContact CG2-CD1 3.99Å; I312-Y331 HydrophobicContact CG2-CE1 3.63Å; I312-Y331 CarbonylContact O-C 3.56Å; I312-Y331 WeakPolarHBondContact O-CA 3.35Å; M321-Y331 HydrophobicContact CB-CD1 3.92Å; M321-Y331 HydrophobicContact CB-CD2 4.47Å; M321-Y331 HydrophobicContact CB-CE1 3.58Å; M321-Y331 HydrophobicContact CB-CE2 4.17Å; M321-Y331 HydrophobicContact CB-CG 4.32Å; M321-Y331 HydrophobicContact CG-CD1 3.56Å; M321-Y331 HydrophobicContact CG-CE1 3.5Å; M321-Y331 VanDerWaalsContact CG-CE1 3.5Å; M321-Y331 HydrophobicContact CG-CG 4.26Å; M321-Y331 HydrophobicContact SD-CD1 3.55Å; M321-Y331 VanDerWaalsContact SD-CD1 3.55Å; M321-Y331 HydrophobicContact SD-CE1 4.16Å; M321-Y331 HydrophobicContact SD-CG 3.89Å; F323-Y331 HydrophobicContact CB-CE2 3.92Å; F323-Y331 VanDerWaalsContact CD2-OH 3.26Å; F323-Y331 WeakPolarHBondContact CD2-OH 3.45Å; F323-Y331 PolarHBondContact N-OH 3.36Å; R324-Y331 HydrophobicContact CB-CD2 4.1Å; R324-Y331 HydrophobicContact CB-CE2 4.11Å; R324-Y331 HydrophobicContact CG-CD2 4.48Å; I329-Y331 HydrophobicContact CG2-CD2 4.11Å; I329-Y331 HydrophobicContact CG2-CE2 3.8Å
332	L	97.3	Very high	86.8	Confident	9 Å²	9	80.8 Å²	80.8	5%	0.047	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.5	155.7	174.7	62.5	0	0	0	108.2	I312 I313 N314 I334 R350 A351 F354	I312-L332 PolarHBondContact O-N 3.02Å; I313-L332 CarbonylContact C-O 3.6Å; I313-L332 VanDerWaalsContact CA-O 3.3Å; I313-L332 WeakPolarHBondContact CA-O 3.27Å; I313-L332 HydrophobicContact CD1-CD2 4.3Å; I313-L332 HydrophobicContact CG1-CB 4.29Å; I313-L332 HydrophobicContact CG1-CD2 4.42Å; I313-L332 HydrophobicContact CG2-CD2 4.35Å; I313-L332 HydrophobicContact CG2-CG 4.42Å; N314-L332 PolarHBondContact N-O 3.17Å; L332-I334 HydrophobicContact CD2-CD1 4.1Å; L332-I334 HydrophobicContact CD2-CG1 4.35Å; L332-I334 HydrophobicContact CG-CD1 4.4Å; L332-I334 HydrophobicContact CG-CG1 4.14Å; L332-R350 HydrophobicContact CD1-CG 4.18Å; L332-R350 HydrophobicContact CD2-CG 4.4Å; L332-A351 HydrophobicContact CD2-CB 4.19Å; L332-F354 HydrophobicContact CB-CD1 3.91Å; L332-F354 HydrophobicContact CB-CD2 3.87Å; L332-F354 HydrophobicContact CB-CE1 3.9Å; L332-F354 HydrophobicContact CB-CE2 3.88Å; L332-F354 HydrophobicContact CB-CG 3.88Å; L332-F354 HydrophobicContact CB-CZ 3.89Å; L332-F354 HydrophobicContact CD2-CB 3.81Å; L332-F354 HydrophobicContact CD2-CD1 4.31Å; L332-F354 HydrophobicContact CD2-CG 4.01Å
333	H	97.6	Very high	87.2	Confident	55 Å²	55	81.9 Å²	81.9	26%	0.255	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.5	174.1	-176.6	-151.9	0	0	0	109.2	T316 M321	T316-H333 PolarHBondContact O-CD2 3.02Å; T316-H333 PolarHBondContact O-NE2 3.33Å; M321-H333 HydrophobicContact CE-CB 3.95Å; M321-H333 HydrophobicContact SD-CB 4.03Å
334	I	97.7	Very high	87.7	Confident	3 Å²	3	81.6 Å²	81.6	2%	0.015	39%	0.392	C	S	.	.			trans	-121.6	96.5	174.1	-59.3	172.7	0	0	0	106.5	I313 N314 V315 T316 L332 A336 L344 A351 V379	I313-I334 HydrophobicContact CG2-CD1 3.89Å; I313-I334 HydrophobicContact CG2-CG1 4.43Å; N314-I334 PolarHBondContact O-N 3.44Å; V315-I334 CarbonylContact C-O 3.52Å; V315-I334 WeakPolarHBondContact CA-O 3.39Å; V315-I334 HydrophobicContact CG1-CB 4.33Å; V315-I334 HydrophobicContact CG1-CG2 4.27Å; T316-I334 PolarHBondContact N-O 2.98Å; L332-I334 HydrophobicContact CD2-CD1 4.1Å; L332-I334 HydrophobicContact CD2-CG1 4.35Å; L332-I334 HydrophobicContact CG-CD1 4.4Å; L332-I334 HydrophobicContact CG-CG1 4.14Å; I334-A336 PolarHBondContact O-N 3.04Å; I334-L344 HydrophobicContact CG2-CD2 4Å; I334-A351 HydrophobicContact CD1-CB 3.89Å; I334-V379 HydrophobicContact CD1-CG2 4.44Å
335	P	95.7	Very high	88.2	Confident	73 Å²	73	76.9 Å²	76.9	47%	0.474	38%	0.378	S	S	.	.			trans	-56.1	124.5	172.3	-22.5	33.6	0	0	0	109.6	D317	D317-P335 VanDerWaalsContact OD1-CA 3.27Å; D317-P335 WeakPolarHBondContact OD1-CA 3.27Å; D317-P335 VanDerWaalsContact OD1-CB 3.24Å; D317-P335 WeakPolarHBondContact OD1-CB 3.29Å
336	A	93.6	Very high	89	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.368	C	S	.	.			trans	-162.7	125.3	-176.1	0	0	0	0	0	113	V315 D317 I334 Q342 L344 R375	V315-A336 HydrophobicContact CG1-CB 3.98Å; D317-A336 PolarHBondContact OD1-N 2.94Å; I334-A336 PolarHBondContact O-N 3.04Å; A336-Q342 HydrophobicContact CB-CG 4.1Å; A336-L344 HydrophobicContact CB-CD2 3.71Å; A336-R375 HydrophobicContact CB-CG 4.34Å; A336-R375 WeakPolarHBondContact O-CD 3.44Å; A336-R375 PolarHBondContact O-NH1 2.73Å
337	T	89.3	Confident	90.1	Very high	53 Å²	53	69.6 Å²	69.6	33%	0.325	36%	0.357	S	S	.	.			trans	-82.4	154.3	165.1	66.6	0	0	0	0	110.8	D317 T339 Q342	D317-T337 VanDerWaalsContact OD2-CG2 3.22Å; D317-T337 WeakPolarHBondContact OD2-CG2 3.34Å; D317-T337 PolarHBondContact OD2-N 3.06Å; T337-T339 PolarHBondContact O-N 3.42Å; T337-T339 PolarHBondContact OG1-OG1 3.23Å; T337-Q342 VanDerWaalsContact O-CB 3.32Å; T337-Q342 WeakPolarHBondContact O-CB 3.49Å; T337-Q342 WeakPolarHBondContact O-CG 3.38Å; T337-Q342 PolarHBondContact OG1-OE1 3.17Å
338	D	86.5	Confident	91.2	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	31%	0.314	S	S	.	.	S	Bend	trans	-89.5	50.5	175.8	-132	-43.4	0	0	0	111.6	S374 R375 N410	D338-S374 WeakPolarHBondContact OD1-CB 3.47Å; D338-S374 PolarHBondContact OD1-OG 3.48Å; D338-S374 WeakPolarHBondContact OD2-CB 3.34Å; D338-R375 HydrophobicContact CB-CG 4.34Å; D338-R375 VanDerWaalsContact CG-NE 3.34Å; D338-R375 WeakPolarHBondContact OD2-CG 3.48Å; D338-R375 IonicContact OD2-CZ 2.74Å; D338-R375 IonicContact OD2-NE 3.71Å; D338-R375 PolarHBondContact OD2-NE 3.36Å; D338-R375 IonicContact OD2-NH2 3.61Å; D338-R375 PolarHBondContact OD2-NH2 2.93Å; D338-N410 PolarHBondContact OD1-ND2 2.96Å
339	T	78.6	Confident	91.8	Very high	62 Å²	62	52.6 Å²	52.6	38%	0.38	28%	0.283	S	S	.	.	S	Bend	trans	-117.4	159.8	-173.3	69.2	0	0	0	0	111.7	T337 K341 Q342	T337-T339 PolarHBondContact O-N 3.42Å; T337-T339 PolarHBondContact OG1-OG1 3.23Å; T339-K341 PolarHBondContact O-N 3.46Å; T339-K341 PolarHBondContact OG1-N 3.45Å; T339-Q342 WeakPolarHBondContact O-CB 3.4Å; T339-Q342 PolarHBondContact O-N 3.23Å; T339-Q342 VanDerWaalsContact O-N 3.14Å
340	T	73.3	Confident	92	Very high	95 Å²	95	59.1 Å²	59.1	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15	172.3	51.1	0	0	0	0	113.4	H412	T340-H412 PolarHBondContact O-CD2 3.16Å; T340-H412 VanDerWaalsContact O-CG 3.28Å; T340-H412 PolarHBondContact O-NE2 2.89Å
341	K	79.9	Confident	92.2	Very high	196 Å²	196	54.8 Å²	54.8	85%	0.852	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.1	176.4	-60.9	-173.2	178.2	-173.7	0	113.2	T339	T339-K341 PolarHBondContact O-N 3.46Å; T339-K341 PolarHBondContact OG1-N 3.45Å
342	Q	86.3	Confident	92.3	Very high	38 Å²	38	53.1 Å²	53.1	18%	0.178	28%	0.28	C	S	.	.			trans	-79.1	127.8	-176.8	-174.5	66.7	52	0	0	111.6	A336 T337 T339 L344 F413 Q416	A336-Q342 HydrophobicContact CB-CG 4.1Å; T337-Q342 VanDerWaalsContact O-CB 3.32Å; T337-Q342 WeakPolarHBondContact O-CB 3.49Å; T337-Q342 WeakPolarHBondContact O-CG 3.38Å; T337-Q342 PolarHBondContact OG1-OE1 3.17Å; T339-Q342 WeakPolarHBondContact O-CB 3.4Å; T339-Q342 PolarHBondContact O-N 3.23Å; T339-Q342 VanDerWaalsContact O-N 3.14Å; Q342-L344 HydrophobicContact CG-CG 4.36Å; Q342-F413 HydrophobicContact CB-CE1 3.83Å; Q342-F413 HydrophobicContact CB-CZ 4.01Å; Q342-F413 HydrophobicContact CG-CE1 3.91Å; Q342-F413 HydrophobicContact CG-CZ 4.03Å; Q342-F413 WeakPolarHBondContact O-CE1 3.18Å; Q342-Q416 PolarHBondContact O-NE2 2.97Å
343	N	92	Very high	92.4	Very high	85 Å²	85	58.8 Å²	58.8	46%	0.455	31%	0.306	S	S	.	.			trans	-102.2	113.7	169.5	-166.2	-0.3	0	0	0	110.8	L345 P346	N343-L345 VanDerWaalsContact OD1-CB 3.29Å; N343-L345 WeakPolarHBondContact OD1-CB 3.46Å; N343-L345 PolarHBondContact OD1-N 2.94Å; N343-P346 WeakPolarHBondContact OD1-CD 3.26Å
344	L	94.2	Very high	92.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.3	C	S	.	.			trans	-97.1	-15.3	173	-72.6	178.3	0	0	0	112.9	V315 I334 A336 Q342 S347 F348 A378 F413	V315-L344 HydrophobicContact CG1-CD2 4.09Å; I334-L344 HydrophobicContact CG2-CD2 4Å; A336-L344 HydrophobicContact CB-CD2 3.71Å; Q342-L344 HydrophobicContact CG-CG 4.36Å; L344-S347 WeakPolarHBondContact O-CA 3.37Å; L344-S347 WeakPolarHBondContact O-CB 3.28Å; L344-S347 PolarHBondContact O-N 3.42Å; L344-F348 HydrophobicContact CB-CD1 4.46Å; L344-F348 HydrophobicContact CB-CE1 3.69Å; L344-F348 HydrophobicContact CB-CZ 3.93Å; L344-F348 PolarHBondContact O-N 3.23Å; L344-A378 HydrophobicContact CD1-CB 4.08Å; L344-F413 HydrophobicContact CB-CD1 4.43Å; L344-F413 HydrophobicContact CB-CE1 4.41Å; L344-F413 HydrophobicContact CD1-CD1 3.77Å; L344-F413 HydrophobicContact CD1-CD2 4.09Å; L344-F413 HydrophobicContact CD1-CE1 3.56Å; L344-F413 HydrophobicContact CD1-CE2 3.9Å; L344-F413 HydrophobicContact CD1-CG 4.05Å; L344-F413 HydrophobicContact CD1-CZ 3.64Å; L344-F413 HydrophobicContact CG-CD1 4.08Å; L344-F413 HydrophobicContact CG-CE1 3.67Å; L344-F413 HydrophobicContact CG-CZ 4.08Å
345	L	92.2	Very high	92.5	Very high	55 Å²	55	57.4 Å²	57.4	29%	0.288	30%	0.299	S	S	.	.	H	α-helix	trans	-51.9	-45.9	-174.8	178.9	59.7	0	0	0	113.8	N343 S347 F348 Q416 A419 Y420	N343-L345 VanDerWaalsContact OD1-CB 3.29Å; N343-L345 WeakPolarHBondContact OD1-CB 3.46Å; N343-L345 PolarHBondContact OD1-N 2.94Å; L345-S347 PolarHBondContact O-N 2.93Å; L345-F348 HydrophobicContact CB-CE2 4.46Å; L345-F348 HydrophobicContact CD1-CD2 3.82Å; L345-F348 HydrophobicContact CD1-CE2 4.14Å; L345-F348 PolarHBondContact O-N 3.45Å; L345-Q416 HydrophobicContact CB-CB 4.18Å; L345-Q416 HydrophobicContact CB-CG 4.24Å; L345-A419 HydrophobicContact CD2-CB 4.03Å; L345-Y420 HydrophobicContact CD1-CD2 4.04Å; L345-Y420 HydrophobicContact CD1-CG 4.27Å
346	P	95.7	Very high	92.6	Very high	98 Å²	98	54.6 Å²	54.6	64%	0.636	28%	0.279	S	S	*	.	H	α-helix	trans	-64.6	-21	177.4	-21.3	34.1	0	0	0	114.1	N343	N343-P346 WeakPolarHBondContact OD1-CD 3.26Å
347	S	97.7	Very high	92.8	Very high	33 Å²	33	59.8 Å²	59.8	23%	0.231	30%	0.302	C	S	.	.	H	α-helix	trans	-89	-14.7	-178.5	-64	0	0	0	0	113.4	L344 L345 R350 A351	L344-S347 WeakPolarHBondContact O-CA 3.37Å; L344-S347 WeakPolarHBondContact O-CB 3.28Å; L344-S347 PolarHBondContact O-N 3.42Å; L345-S347 PolarHBondContact O-N 2.93Å; S347-R350 PolarHBondContact O-N 3.12Å; S347-A351 WeakPolarHBondContact O-CB 3.23Å; S347-A351 PolarHBondContact O-N 3.27Å
348	F	98.2	Very high	93.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-50.4	-175.6	-69.1	-26	0	0	0	112.6	L344 L345 R350 A351 V352 A378 A382 Q416 L417 Y420	L344-F348 HydrophobicContact CB-CD1 4.46Å; L344-F348 HydrophobicContact CB-CE1 3.69Å; L344-F348 HydrophobicContact CB-CZ 3.93Å; L344-F348 PolarHBondContact O-N 3.23Å; L345-F348 HydrophobicContact CB-CE2 4.46Å; L345-F348 HydrophobicContact CD1-CD2 3.82Å; L345-F348 HydrophobicContact CD1-CE2 4.14Å; L345-F348 PolarHBondContact O-N 3.45Å; F348-R350 VanDerWaalsContact C-N 3.27Å; F348-R350 PolarHBondContact O-N 3.31Å; F348-A351 PolarHBondContact O-N 3.01Å; F348-V352 WeakPolarHBondContact O-CB 3.32Å; F348-V352 VanDerWaalsContact O-CG2 3.24Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 3.41Å; F348-A378 HydrophobicContact CE1-CB 4.37Å; F348-A378 HydrophobicContact CZ-CB 4.46Å; F348-A382 HydrophobicContact CB-CB 3.93Å; F348-A382 HydrophobicContact CD1-CB 3.63Å; F348-A382 HydrophobicContact CD2-CB 4.05Å; F348-A382 HydrophobicContact CE1-CB 4.1Å; F348-A382 HydrophobicContact CE2-CB 4.49Å; F348-A382 HydrophobicContact CG-CB 3.61Å; F348-Q416 HydrophobicContact CE2-CB 4.17Å; F348-Q416 HydrophobicContact CZ-CB 4.43Å; F348-L417 HydrophobicContact CE1-CD2 4.26Å; F348-L417 HydrophobicContact CE2-CD2 3.75Å; F348-L417 HydrophobicContact CE2-CG 4.32Å; F348-L417 HydrophobicContact CZ-CD2 3.6Å; F348-L417 HydrophobicContact CZ-CG 4.13Å; F348-Y420 HydrophobicContact CB-CD1 4.28Å; F348-Y420 HydrophobicContact CB-CD2 4.06Å; F348-Y420 HydrophobicContact CB-CE1 4.1Å; F348-Y420 HydrophobicContact CB-CE2 3.9Å; F348-Y420 HydrophobicContact CB-CG 4.26Å; F348-Y420 HydrophobicContact CD2-CD1 4.05Å; F348-Y420 HydrophobicContact CD2-CD2 4.08Å; F348-Y420 AromaticContact CD2-CG 3.71Å; F348-Y420 HydrophobicContact CD2-CG 3.71Å; F348-Y420 HydrophobicContact CG-CD1 4.49Å; F348-Y420 HydrophobicContact CG-CG 4.43Å
349	D	97.9	Very high	93.7	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-39.5	177.8	-86.9	-28.9	0	0	0	112.4	V352 Q353 Y420 R427	D349-V352 PolarHBondContact O-N 3.4Å; D349-Q353 WeakPolarHBondContact O-CB 3.43Å; D349-Q353 WeakPolarHBondContact O-CG 3.39Å; D349-Q353 PolarHBondContact O-N 3.02Å; D349-Y420 PolarHBondContact OD1-OH 3.47Å; D349-R427 IonicContact OD1-NH1 3.32Å; D349-R427 PolarHBondContact OD1-NH1 2.88Å; D349-R427 IonicContact OD2-CZ 3.23Å; D349-R427 VanDerWaalsContact OD2-CZ 3.23Å; D349-R427 IonicContact OD2-NH1 2.67Å; D349-R427 PolarHBondContact OD2-NH1 2.8Å; D349-R427 IonicContact OD2-NH2 2.72Å; D349-R427 PolarHBondContact OD2-NH2 2.86Å
350	R	98.3	Very high	94.6	Very high	159 Å²	159	61.8 Å²	61.8	60%	0.6	30%	0.296	S	S	*	.	H	α-helix	trans	-65.8	-43.4	177.6	-175.3	178.1	179.8	-179.5	-1.1	111.9	L332 S347 F348 F354	L332-R350 HydrophobicContact CD1-CG 4.18Å; L332-R350 HydrophobicContact CD2-CG 4.4Å; S347-R350 PolarHBondContact O-N 3.12Å; F348-R350 VanDerWaalsContact C-N 3.27Å; F348-R350 PolarHBondContact O-N 3.31Å; R350-F354 PolarHBondContact O-N 3.29Å; R350-F354 VanDerWaalsContact O-N 3.13Å
351	A	98.6	Very high	95.7	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-43.3	176.1	0	0	0	0	0	111.9	I313 L332 I334 S347 F348 F354 I355 V379	I313-A351 HydrophobicContact CD1-CB 4.2Å; L332-A351 HydrophobicContact CD2-CB 4.19Å; I334-A351 HydrophobicContact CD1-CB 3.89Å; S347-A351 WeakPolarHBondContact O-CB 3.23Å; S347-A351 PolarHBondContact O-N 3.27Å; F348-A351 PolarHBondContact O-N 3.01Å; A351-F354 WeakPolarHBondContact O-CB 3.49Å; A351-F354 PolarHBondContact O-N 3.1Å; A351-I355 WeakPolarHBondContact O-CG1 3.39Å; A351-I355 PolarHBondContact O-N 3.37Å; A351-V379 HydrophobicContact CB-CG1 3.61Å
352	V	98.5	Very high	96.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-46.5	176.3	164.9	0	0	0	0	111.7	F348 D349 F354 I355 E356 Y383 Y386	F348-V352 WeakPolarHBondContact O-CB 3.32Å; F348-V352 VanDerWaalsContact O-CG2 3.24Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 3.41Å; D349-V352 PolarHBondContact O-N 3.4Å; V352-F354 VanDerWaalsContact C-N 3.3Å; V352-F354 PolarHBondContact O-N 3.09Å; V352-I355 PolarHBondContact O-N 3.49Å; V352-E356 WeakPolarHBondContact O-CB 3.3Å; V352-E356 PolarHBondContact O-N 3.16Å; V352-Y383 HydrophobicContact CG1-CD2 4.48Å; V352-Y383 HydrophobicContact CG2-CD2 4.47Å; V352-Y386 HydrophobicContact CB-CG 4.5Å; V352-Y386 HydrophobicContact CG1-CD1 3.4Å; V352-Y386 HydrophobicContact CG1-CD2 3.5Å; V352-Y386 VanDerWaalsContact CG1-CD2 3.5Å; V352-Y386 HydrophobicContact CG1-CE1 3.8Å; V352-Y386 HydrophobicContact CG1-CE2 3.87Å; V352-Y386 HydrophobicContact CG1-CG 3.25Å
353	Q	98.2	Very high	97	Very high	128 Å²	128	60 Å²	60	60%	0.598	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-37.3	176.8	-73.4	170	31.3	0	0	112.3	D349 K357	D349-Q353 WeakPolarHBondContact O-CB 3.43Å; D349-Q353 WeakPolarHBondContact O-CG 3.39Å; D349-Q353 PolarHBondContact O-N 3.02Å; Q353-K357 WeakPolarHBondContact O-CB 3.35Å; Q353-K357 PolarHBondContact O-N 3.21Å
354	F	98.7	Very high	97.3	Very high	28 Å²	28	57.6 Å²	57.6	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-44.7	175.7	-176.4	-97.5	0	0	0	111.9	H311 I313 Q330 L332 R350 A351 V352 K357 A358	H311-F354 HydrophobicContact CB-CE1 3.76Å; H311-F354 HydrophobicContact CB-CZ 3.92Å; H311-F354 AromaticContact CD2-CE2 3.99Å; H311-F354 AromaticContact CD2-CZ 3.72Å; I313-F354 HydrophobicContact CD1-CD1 3.83Å; I313-F354 HydrophobicContact CD1-CE1 4.42Å; I313-F354 HydrophobicContact CG1-CD1 3.59Å; I313-F354 HydrophobicContact CG1-CE1 3.69Å; Q330-F354 HydrophobicContact CB-CE2 4.29Å; Q330-F354 HydrophobicContact CB-CZ 4.26Å; L332-F354 HydrophobicContact CB-CD1 3.91Å; L332-F354 HydrophobicContact CB-CD2 3.87Å; L332-F354 HydrophobicContact CB-CE1 3.9Å; L332-F354 HydrophobicContact CB-CE2 3.88Å; L332-F354 HydrophobicContact CB-CG 3.88Å; L332-F354 HydrophobicContact CB-CZ 3.89Å; L332-F354 HydrophobicContact CD2-CB 3.81Å; L332-F354 HydrophobicContact CD2-CD1 4.31Å; L332-F354 HydrophobicContact CD2-CG 4.01Å; R350-F354 PolarHBondContact O-N 3.29Å; R350-F354 VanDerWaalsContact O-N 3.13Å; A351-F354 WeakPolarHBondContact O-CB 3.49Å; A351-F354 PolarHBondContact O-N 3.1Å; V352-F354 VanDerWaalsContact C-N 3.3Å; V352-F354 PolarHBondContact O-N 3.09Å; F354-K357 PolarHBondContact O-N 3.04Å; F354-A358 PolarHBondContact O-N 2.82Å
355	I	98.7	Very high	97.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-45	175.2	-60.6	162	0	0	0	110.8	F289 L290 I313 A351 V352 K357 A358 R359 V365 V367 Y383	F289-I355 HydrophobicContact CE2-CG2 3.82Å; L290-I355 HydrophobicContact CD1-CD1 4.34Å; L290-I355 HydrophobicContact CD1-CG1 4.46Å; L290-I355 HydrophobicContact CD1-CG2 4.23Å; I313-I355 HydrophobicContact CD1-CD1 3.92Å; I313-I355 HydrophobicContact CD1-CG1 3.73Å; A351-I355 WeakPolarHBondContact O-CG1 3.39Å; A351-I355 PolarHBondContact O-N 3.37Å; V352-I355 PolarHBondContact O-N 3.49Å; I355-K357 VanDerWaalsContact C-N 3.33Å; I355-K357 PolarHBondContact O-N 3.25Å; I355-A358 PolarHBondContact O-N 2.96Å; I355-R359 WeakPolarHBondContact O-CB 3.44Å; I355-R359 PolarHBondContact O-N 3.09Å; I355-V365 HydrophobicContact CG1-CG1 4.28Å; I355-V365 HydrophobicContact CG2-CG2 4.43Å; I355-V367 HydrophobicContact CD1-CG2 4.48Å; I355-Y383 HydrophobicContact CB-CD2 3.64Å; I355-Y383 HydrophobicContact CB-CE2 3.79Å; I355-Y383 HydrophobicContact CB-CG 4.37Å; I355-Y383 HydrophobicContact CD1-CD2 3.83Å; I355-Y383 HydrophobicContact CD1-CG 3.83Å; I355-Y383 HydrophobicContact CG1-CD2 4.34Å; I355-Y383 HydrophobicContact CG2-CD1 4.3Å; I355-Y383 HydrophobicContact CG2-CD2 3.49Å; I355-Y383 VanDerWaalsContact CG2-CD2 3.49Å; I355-Y383 HydrophobicContact CG2-CE1 4.2Å; I355-Y383 HydrophobicContact CG2-CE2 3.32Å; I355-Y383 HydrophobicContact CG2-CG 3.99Å
356	E	98	Very high	97.8	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.065	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-40.6	176.4	-92.5	-65.4	103.7	0	0	112.5	V352 R359 K360 Y383 Y386	V352-E356 WeakPolarHBondContact O-CB 3.3Å; V352-E356 PolarHBondContact O-N 3.16Å; E356-R359 VanDerWaalsContact CD-NH2 3.3Å; E356-R359 IonicContact OE1-CZ 3.21Å; E356-R359 IonicContact OE1-NE 3.75Å; E356-R359 PolarHBondContact OE1-NE 3.39Å; E356-R359 IonicContact OE1-NH2 2.84Å; E356-R359 PolarHBondContact OE1-NH2 3.05Å; E356-R359 IonicContact OE2-CZ 3.97Å; E356-R359 IonicContact OE2-NH2 2.98Å; E356-R359 PolarHBondContact OE2-NH2 2.87Å; E356-K360 WeakPolarHBondContact O-CB 3.25Å; E356-K360 WeakPolarHBondContact O-CD 3.46Å; E356-K360 VanDerWaalsContact O-CG 3.26Å; E356-K360 WeakPolarHBondContact O-CG 3.18Å; E356-K360 PolarHBondContact O-N 2.96Å; E356-K360 VanDerWaalsContact OE2-CE 3.23Å; E356-K360 WeakPolarHBondContact OE2-CE 3.24Å; E356-K360 IonicContact OE2-NZ 3.35Å; E356-K360 PolarHBondContact OE2-NZ 3.27Å; E356-Y383 HydrophobicContact CG-CE2 4.27Å; E356-Y383 PolarHBondContact OE1-OH 3.24Å; E356-Y386 HydrophobicContact CG-CD1 4.44Å; E356-Y386 HydrophobicContact CG-CE1 3.65Å
357	K	97.8	Very high	98	Very high	110 Å²	110	50.2 Å²	50.2	48%	0.478	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-47.8	175.9	-172.8	-173.9	177.5	-166.7	0	110.2	Q353 F354 I355 K360 H361	Q353-K357 WeakPolarHBondContact O-CB 3.35Å; Q353-K357 PolarHBondContact O-N 3.21Å; F354-K357 PolarHBondContact O-N 3.04Å; I355-K357 VanDerWaalsContact C-N 3.33Å; I355-K357 PolarHBondContact O-N 3.25Å; K357-K360 PolarHBondContact O-N 2.95Å; K357-H361 PolarHBondContact O-N 3.22Å; K357-H361 PolarHBondContact O-ND1 3.32Å
358	A	97.8	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-51.9	176.9	0	0	0	0	0	111.5	H311 F354 I355 K360 H361 N362 G363 V365	H311-A358 HydrophobicContact CB-CB 4.08Å; H311-A358 WeakPolarHBondContact ND1-CB 3.05Å; F354-A358 PolarHBondContact O-N 2.82Å; I355-A358 PolarHBondContact O-N 2.96Å; A358-K360 VanDerWaalsContact C-N 3.3Å; A358-K360 PolarHBondContact O-N 3.1Å; A358-H361 CarbonylContact O-C 3.57Å; A358-H361 PolarHBondContact O-N 3.29Å; A358-N362 PolarHBondContact O-N 3.27Å; A358-G363 PolarHBondContact O-N 3.37Å; A358-V365 HydrophobicContact CB-CG2 3.35Å
359	R	97.7	Very high	97.9	Very high	82 Å²	82	48.8 Å²	48.8	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-55.3	-41.7	179.5	-171.8	-175	68	75.6	-0.5	112.9	F289 I355 E356 H361 N362 Y383	F289-R359 HydrophobicContact CD1-CG 3.99Å; F289-R359 HydrophobicContact CD2-CB 3.95Å; F289-R359 HydrophobicContact CD2-CG 3.98Å; F289-R359 HydrophobicContact CE1-CG 3.87Å; F289-R359 HydrophobicContact CE2-CB 3.88Å; F289-R359 HydrophobicContact CE2-CG 3.85Å; F289-R359 HydrophobicContact CG-CB 4.47Å; F289-R359 HydrophobicContact CG-CG 4.08Å; F289-R359 HydrophobicContact CZ-CB 4.33Å; F289-R359 HydrophobicContact CZ-CG 3.83Å; I355-R359 WeakPolarHBondContact O-CB 3.44Å; I355-R359 PolarHBondContact O-N 3.09Å; E356-R359 VanDerWaalsContact CD-NH2 3.3Å; E356-R359 IonicContact OE1-CZ 3.21Å; E356-R359 IonicContact OE1-NE 3.75Å; E356-R359 PolarHBondContact OE1-NE 3.39Å; E356-R359 IonicContact OE1-NH2 2.84Å; E356-R359 PolarHBondContact OE1-NH2 3.05Å; E356-R359 IonicContact OE2-CZ 3.97Å; E356-R359 IonicContact OE2-NH2 2.98Å; E356-R359 PolarHBondContact OE2-NH2 2.87Å; R359-H361 PolarHBondContact O-N 3.19Å; R359-N362 PolarHBondContact O-N 2.97Å; R359-Y383 WeakPolarHBondContact CD-OH 3.38Å
360	K	97.1	Very high	97.6	Very high	134 Å²	134	51.2 Å²	51.2	58%	0.583	23%	0.234	S	C	*	.	H	α-helix	trans	-67.7	-19.8	178.4	-76.8	167.9	179.7	165.5	0	114.3	E356 K357 A358	E356-K360 WeakPolarHBondContact O-CB 3.25Å; E356-K360 WeakPolarHBondContact O-CD 3.46Å; E356-K360 VanDerWaalsContact O-CG 3.26Å; E356-K360 WeakPolarHBondContact O-CG 3.18Å; E356-K360 PolarHBondContact O-N 2.96Å; E356-K360 VanDerWaalsContact OE2-CE 3.23Å; E356-K360 WeakPolarHBondContact OE2-CE 3.24Å; E356-K360 IonicContact OE2-NZ 3.35Å; E356-K360 PolarHBondContact OE2-NZ 3.27Å; K357-K360 PolarHBondContact O-N 2.95Å; A358-K360 VanDerWaalsContact C-N 3.3Å; A358-K360 PolarHBondContact O-N 3.1Å
361	H	96.7	Very high	97.1	Very high	140 Å²	140	44.6 Å²	44.6	65%	0.648	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	23.6	175.4	-58.4	84.3	0	0	0	111.5	K357 A358 R359 G363	K357-H361 PolarHBondContact O-N 3.22Å; K357-H361 PolarHBondContact O-ND1 3.32Å; A358-H361 CarbonylContact O-C 3.57Å; A358-H361 PolarHBondContact O-N 3.29Å; R359-H361 PolarHBondContact O-N 3.19Å; H361-G363 PolarHBondContact O-N 3.23Å; H361-G363 VanDerWaalsContact O-N 3.09Å
362	N	96.4	Very high	96.8	Very high	147 Å²	147	44.5 Å²	44.5	79%	0.786	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	24.8	-176.9	-63.9	18.5	0	0	0	114.5	A358 R359	A358-N362 PolarHBondContact O-N 3.27Å; R359-N362 PolarHBondContact O-N 2.97Å
363	G	97.2	Very high	96.3	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	22%	0.221	C	C	.	.			trans	-82	135.7	-179.8	0	0	0	0	0	113.1	T310 A358 H361	T310-G363 WeakPolarHBondContact OG1-CA 3.36Å; A358-G363 PolarHBondContact O-N 3.37Å; H361-G363 PolarHBondContact O-N 3.23Å; H361-G363 VanDerWaalsContact O-N 3.09Å
364	I	98.1	Very high	96.1	Very high	34 Å²	34	40 Å²	40	17%	0.174	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.4	171.3	-50.5	-59.7	0	0	0	110.5	F289 Y291 V309 T310 H311	F289-I364 HydrophobicContact CB-CD1 4.14Å; Y291-I364 HydrophobicContact CD2-CG2 3.58Å; Y291-I364 HydrophobicContact CE2-CG2 3.49Å; Y291-I364 VanDerWaalsContact CE2-CG2 3.49Å; V309-I364 HydrophobicContact CG2-CG2 4.17Å; T310-I364 PolarHBondContact N-O 3.33Å; T310-I364 PolarHBondContact OG1-N 2.85Å; T310-I364 PolarHBondContact OG1-O 3.27Å; H311-I364 PolarHBondContact N-O 2.71Å; H311-I364 VanDerWaalsContact N-O 3.13Å
365	V	98.6	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.1	-177.6	-168	0	0	0	0	111.4	F289 L290 Y291 H311 I313 I355 A358 V367	F289-V365 PolarHBondContact O-N 2.84Å; L290-V365 HydrophobicContact CD1-CB 4.01Å; L290-V365 HydrophobicContact CD1-CG1 4.2Å; Y291-V365 PolarHBondContact N-O 2.83Å; H311-V365 HydrophobicContact CB-CB 4.43Å; H311-V365 HydrophobicContact CB-CG1 4.23Å; H311-V365 HydrophobicContact CB-CG2 4.08Å; H311-V365 CarbonylContact O-C 3.53Å; H311-V365 VanDerWaalsContact O-CA 3.28Å; H311-V365 WeakPolarHBondContact O-CA 3.2Å; I313-V365 HydrophobicContact CG1-CG1 4.39Å; I355-V365 HydrophobicContact CG1-CG1 4.28Å; I355-V365 HydrophobicContact CG2-CG2 4.43Å; A358-V365 HydrophobicContact CB-CG2 3.35Å; V365-V367 HydrophobicContact CG1-CG2 4.33Å
366	L	98.5	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	164.4	173.3	59.8	0	0	0	110.4	I283 I304 V309 H311 I312 I313 H368	I283-L366 HydrophobicContact CD1-CD1 3.75Å; I283-L366 HydrophobicContact CG1-CD1 4.31Å; I304-L366 HydrophobicContact CD1-CD2 3.69Å; V309-L366 HydrophobicContact CG1-CB 3.95Å; V309-L366 HydrophobicContact CG2-CB 4.46Å; H311-L366 PolarHBondContact O-N 3.03Å; I312-L366 CarbonylContact C-O 3.29Å; I312-L366 WeakPolarHBondContact CA-O 3.32Å; I312-L366 HydrophobicContact CG1-CB 4.4Å; I313-L366 PolarHBondContact N-O 2.92Å; L366-H368 HydrophobicContact CG-CB 4.5Å
367	V	98.7	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.9	168.9	-171.4	0	0	0	0	108.6	L290 Y291 L292 G293 I313 V315 I355 V365 V379 V380	L290-V367 HydrophobicContact CD1-CG2 3.78Å; Y291-V367 PolarHBondContact O-N 3.47Å; L292-V367 WeakPolarHBondContact CA-O 3.36Å; G293-V367 PolarHBondContact N-O 2.87Å; I313-V367 HydrophobicContact CB-CB 4.45Å; I313-V367 HydrophobicContact CB-CG1 4.14Å; I313-V367 HydrophobicContact CB-CG2 4.24Å; I313-V367 HydrophobicContact CD1-CG2 4Å; I313-V367 HydrophobicContact CG1-CG2 4.27Å; I313-V367 HydrophobicContact CG2-CG1 4.41Å; V315-V367 HydrophobicContact CG2-CG1 4.18Å; I355-V367 HydrophobicContact CD1-CG2 4.48Å; V365-V367 HydrophobicContact CG1-CG2 4.33Å; V367-V379 HydrophobicContact CG1-CB 4.05Å; V367-V379 HydrophobicContact CG1-CG1 3.9Å; V367-V380 HydrophobicContact CB-CG2 3.9Å; V367-V380 HydrophobicContact CG1-CG2 4.14Å; V367-V380 HydrophobicContact CG2-CG2 4.06Å
368	H	97.9	Very high	95.9	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.9	-177.4	78.1	101.4	0	0	0	113.2	G293 S298 I313 N314 V315 L366 S376	G293-H368 WeakPolarHBondContact O-CA 3.42Å; G293-H368 WeakPolarHBondContact O-CB 3.41Å; S298-H368 WeakPolarHBondContact CB-CE1 3.34Å; S298-H368 VanDerWaalsContact CB-CG 3.43Å; S298-H368 WeakPolarHBondContact CB-ND1 3.26Å; S298-H368 PolarHBondContact OG-CE1 3.23Å; S298-H368 VanDerWaalsContact OG-CE1 3.23Å; S298-H368 PolarHBondContact OG-ND1 2.99Å; I313-H368 PolarHBondContact O-CD2 3.07Å; I313-H368 PolarHBondContact O-N 3.14Å; N314-H368 WeakPolarHBondContact CA-NE2 3.41Å; N314-H368 VanDerWaalsContact CB-NE2 3.31Å; N314-H368 WeakPolarHBondContact CB-NE2 3.3Å; V315-H368 PolarHBondContact N-O 3.08Å; L366-H368 HydrophobicContact CG-CB 4.5Å; H368-S376 VanDerWaalsContact C-CB 3.48Å
369	C	96.1	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.			trans	-135.3	-154.5	163.4	73.4	0	0	0	0	108.4	N294 A295 V315 T316 G372 R375 S376	N294-C369 CarbonylContact C-O 3.6Å; N294-C369 VanDerWaalsContact C-O 3.3Å; A295-C369 PolarHBondContact N-O 3.46Å; A295-C369 VanDerWaalsContact N-O 3.13Å; V315-C369 HydrophobicContact CB-CB 4.4Å; V315-C369 WeakPolarHBondContact O-CB 3.37Å; T316-C369 HydrophobicContact CG2-CB 3.99Å; C369-G372 PolarHBondContact SG-N 2.72Å; C369-G372 VanDerWaalsContact SG-N 3.36Å; C369-R375 HydrophobicContact CB-CB 3.75Å; C369-S376 PolarHBondContact SG-OG 3.32Å; C369-S376 VanDerWaalsContact SG-OG 3.39Å
370	L	92	Very high	96	Very high	89 Å²	89	30.1 Å²	30.1	47%	0.466	15%	0.153	S	C	.	.	S	Bend	trans	-63.6	-59	177.9	-176.3	61	0	0	0	112.7	N294 A295 L319	N294-L370 WeakPolarHBondContact CB-O 3.36Å; A295-L370 HydrophobicContact CB-CD1 4.1Å; A295-L370 WeakPolarHBondContact CB-O 3.44Å; A295-L370 PolarHBondContact N-O 2.68Å; L319-L370 HydrophobicContact CD2-CD1 4.38Å
371	A	87.7	Confident	96	Very high	20 Å²	20	23.7 Å²	23.7	17%	0.165	13%	0.125	C	C	.	.	S	Bend	trans	-103.8	-8.8	-176.8	0	0	0	0	0	114	V278 L279 N294 V373 R404	V278-A371 HydrophobicContact CG1-CB 4.33Å; L279-A371 HydrophobicContact CD2-CB 4.04Å; N294-A371 VanDerWaalsContact CB-C 3.49Å; A371-V373 HydrophobicContact CB-CB 4.32Å; A371-V373 HydrophobicContact CB-CG2 3.8Å; A371-V373 PolarHBondContact O-N 3.42Å; A371-R404 PolarHBondContact O-NH2 3.23Å; A371-R404 VanDerWaalsContact O-NH2 3.08Å
372	G	93.1	Very high	96.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	68.6	19.7	-171.7	0	0	0	0	0	114.2	G293 C369 S376 V377 R404	G293-G372 WeakPolarHBondContact O-CA 3.49Å; C369-G372 PolarHBondContact SG-N 2.72Å; C369-G372 VanDerWaalsContact SG-N 3.36Å; G372-S376 WeakPolarHBondContact CA-OG 3.22Å; G372-V377 WeakPolarHBondContact O-CG2 3.25Å; G372-R404 WeakPolarHBondContact O-CD 3.47Å; G372-R404 PolarHBondContact O-NE 3.33Å
373	V	88.3	Confident	96.2	Very high	30 Å²	30	10.1 Å²	10.1	18%	0.182	6%	0.057	C	C	.	.	S	Bend	trans	-94.9	-47.1	-173.5	168.8	0	0	0	0	112.8	V278 A371 V377 V406 G408	V278-V373 HydrophobicContact CG1-CG2 3.52Å; A371-V373 HydrophobicContact CB-CB 4.32Å; A371-V373 HydrophobicContact CB-CG2 3.8Å; A371-V373 PolarHBondContact O-N 3.42Å; V373-V377 WeakPolarHBondContact O-CG2 3.49Å; V373-V406 WeakPolarHBondContact CG1-O 3.43Å; V373-V406 HydrophobicContact CG2-CB 4.34Å; V373-V406 HydrophobicContact CG2-CG2 4.28Å; V373-G408 CarbonylContact O-C 3.48Å; V373-G408 VanDerWaalsContact O-C 3.23Å; V373-G408 PolarHBondContact O-N 3.45Å
374	S	92.2	Very high	96.2	Very high	6 Å²	6	10.2 Å²	10.2	4%	0.042	6%	0.056	C	C	.	.	S	Bend	trans	-123.9	-72.3	-165.5	165.3	0	0	0	0	113.6	D338 S376 V377 A378 G408 N410 F413	D338-S374 WeakPolarHBondContact OD1-CB 3.47Å; D338-S374 PolarHBondContact OD1-OG 3.48Å; D338-S374 WeakPolarHBondContact OD2-CB 3.34Å; S374-S376 PolarHBondContact O-N 3.35Å; S374-V377 WeakPolarHBondContact O-CB 3.27Å; S374-V377 PolarHBondContact O-N 3.18Å; S374-V377 VanDerWaalsContact O-N 3.17Å; S374-A378 PolarHBondContact O-N 3.47Å; S374-G408 WeakPolarHBondContact CB-O 3.45Å; S374-N410 PolarHBondContact OG-N 2.85Å; S374-F413 VanDerWaalsContact OG-CD2 3.31Å; S374-F413 WeakPolarHBondContact OG-CD2 3.45Å; S374-F413 WeakPolarHBondContact OG-CE2 3.37Å
375	R	97	Very high	96.1	Very high	24 Å²	24	8.6 Å²	8.6	9%	0.091	5%	0.048	C	C	.	.	H	α-helix	trans	-51.1	-52.8	-178.4	-79.6	168.6	-73.1	177.5	-3.3	115.1	V315 A336 D338 C369 A378 V379 F413	V315-R375 HydrophobicContact CB-CB 4.21Å; V315-R375 HydrophobicContact CG1-CB 3.8Å; V315-R375 HydrophobicContact CG1-CG 4.45Å; V315-R375 WeakPolarHBondContact O-CD 3.43Å; A336-R375 HydrophobicContact CB-CG 4.34Å; A336-R375 WeakPolarHBondContact O-CD 3.44Å; A336-R375 PolarHBondContact O-NH1 2.73Å; D338-R375 HydrophobicContact CB-CG 4.34Å; D338-R375 VanDerWaalsContact CG-NE 3.34Å; D338-R375 WeakPolarHBondContact OD2-CG 3.48Å; D338-R375 IonicContact OD2-CZ 2.74Å; D338-R375 IonicContact OD2-NE 3.71Å; D338-R375 PolarHBondContact OD2-NE 3.36Å; D338-R375 IonicContact OD2-NH2 3.61Å; D338-R375 PolarHBondContact OD2-NH2 2.93Å; C369-R375 HydrophobicContact CB-CB 3.75Å; R375-A378 PolarHBondContact O-N 3.11Å; R375-V379 PolarHBondContact O-N 3.37Å; R375-F413 HydrophobicContact CB-CE2 4.34Å; R375-F413 HydrophobicContact CG-CE2 3.57Å; R375-F413 HydrophobicContact CG-CZ 3.82Å
376	S	98.2	Very high	95.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69.6	-34.3	179.6	50	0	0	0	0	112.7	L292 H368 C369 G372 S374 A378 V379 V380	L292-S376 WeakPolarHBondContact CD1-OG 3.46Å; H368-S376 VanDerWaalsContact C-CB 3.48Å; C369-S376 PolarHBondContact SG-OG 3.32Å; C369-S376 VanDerWaalsContact SG-OG 3.39Å; G372-S376 WeakPolarHBondContact CA-OG 3.22Å; S374-S376 PolarHBondContact O-N 3.35Å; S376-A378 VanDerWaalsContact C-N 3.32Å; S376-A378 PolarHBondContact O-N 2.82Å; S376-V379 PolarHBondContact O-N 3.49Å; S376-V380 WeakPolarHBondContact O-CG2 3.33Å; S376-V380 PolarHBondContact O-N 2.88Å
377	V	97.1	Very high	95.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.3	-40.9	174.9	179.9	0	0	0	0	110.8	L292 G372 V373 S374 V379 V380 I381 L397 V400 A407 P409	L292-V377 HydrophobicContact CD1-CG2 4.12Å; L292-V377 HydrophobicContact CD2-CG2 3.89Å; G372-V377 WeakPolarHBondContact O-CG2 3.25Å; V373-V377 WeakPolarHBondContact O-CG2 3.49Å; S374-V377 WeakPolarHBondContact O-CB 3.27Å; S374-V377 PolarHBondContact O-N 3.18Å; S374-V377 VanDerWaalsContact O-N 3.17Å; V377-V379 PolarHBondContact O-N 3.07Å; V377-V380 PolarHBondContact O-N 2.69Å; V377-I381 HydrophobicContact CG1-CD1 3.78Å; V377-I381 HydrophobicContact CG1-CG1 4.32Å; V377-I381 WeakPolarHBondContact O-CG1 3.42Å; V377-I381 PolarHBondContact O-N 3.19Å; V377-L397 HydrophobicContact CG1-CD1 4.43Å; V377-V400 HydrophobicContact CG1-CG1 4.18Å; V377-A407 HydrophobicContact CG1-CB 3.98Å; V377-A407 HydrophobicContact CG2-CB 3.91Å; V377-P409 HydrophobicContact CB-CG 4.05Å; V377-P409 HydrophobicContact CG1-CG 3.62Å
378	A	96.9	Very high	95.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-46.6	174.9	0	0	0	0	0	111.8	L344 F348 S374 R375 S376 V380 I381 A382 P409 F413 L417	L344-A378 HydrophobicContact CD1-CB 4.08Å; F348-A378 HydrophobicContact CE1-CB 4.37Å; F348-A378 HydrophobicContact CZ-CB 4.46Å; S374-A378 PolarHBondContact O-N 3.47Å; R375-A378 PolarHBondContact O-N 3.11Å; S376-A378 VanDerWaalsContact C-N 3.32Å; S376-A378 PolarHBondContact O-N 2.82Å; A378-V380 PolarHBondContact O-N 3.38Å; A378-I381 PolarHBondContact O-N 2.93Å; A378-A382 WeakPolarHBondContact O-CB 3.45Å; A378-A382 PolarHBondContact O-N 3.07Å; A378-P409 HydrophobicContact CB-CB 4.48Å; A378-F413 HydrophobicContact CB-CB 3.98Å; A378-F413 HydrophobicContact CB-CD2 4.27Å; A378-F413 HydrophobicContact CB-CG 4.26Å; A378-L417 HydrophobicContact CB-CD1 4.24Å; A378-L417 WeakPolarHBondContact O-CD2 3.1Å
379	V	98.8	Very high	94.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-40.9	176.4	172.6	0	0	0	0	112.3	I313 V315 I334 A351 V367 R375 S376 V377 A382 Y383	I313-V379 HydrophobicContact CD1-CG1 4.27Å; V315-V379 HydrophobicContact CG1-CG2 4.23Å; V315-V379 HydrophobicContact CG2-CB 4.44Å; V315-V379 HydrophobicContact CG2-CG2 3.9Å; I334-V379 HydrophobicContact CD1-CG2 4.44Å; A351-V379 HydrophobicContact CB-CG1 3.61Å; V367-V379 HydrophobicContact CG1-CB 4.05Å; V367-V379 HydrophobicContact CG1-CG1 3.9Å; R375-V379 PolarHBondContact O-N 3.37Å; S376-V379 PolarHBondContact O-N 3.49Å; V377-V379 PolarHBondContact O-N 3.07Å; V379-A382 PolarHBondContact O-N 2.81Å; V379-Y383 PolarHBondContact O-N 2.9Å; V379-Y383 VanDerWaalsContact O-N 3.14Å
380	V	98.7	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-44.3	175.2	168.7	0	0	0	0	111.6	I286 L290 L292 V367 S376 V377 A378 Y383 L384 V400	I286-V380 HydrophobicContact CB-CG1 4.39Å; I286-V380 HydrophobicContact CG1-CG1 4.2Å; I286-V380 HydrophobicContact CG2-CG1 3.83Å; L290-V380 HydrophobicContact CD2-CG1 4.4Å; L292-V380 HydrophobicContact CB-CG2 4.43Å; L292-V380 HydrophobicContact CD1-CG2 4.14Å; V367-V380 HydrophobicContact CB-CG2 3.9Å; V367-V380 HydrophobicContact CG1-CG2 4.14Å; V367-V380 HydrophobicContact CG2-CG2 4.06Å; S376-V380 WeakPolarHBondContact O-CG2 3.33Å; S376-V380 PolarHBondContact O-N 2.88Å; V377-V380 PolarHBondContact O-N 2.69Å; A378-V380 PolarHBondContact O-N 3.38Å; V380-Y383 WeakPolarHBondContact O-CB 3.18Å; V380-Y383 PolarHBondContact O-N 3.25Å; V380-L384 HydrophobicContact CG1-CD1 4.31Å; V380-L384 WeakPolarHBondContact O-CG 3.29Å; V380-L384 PolarHBondContact O-N 3.36Å; V380-V400 HydrophobicContact CG1-CG2 3.86Å
381	I	98	Very high	92.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-44.4	177	-69.4	168.8	0	0	0	110.4	V377 A378 Y383 L384 L385 V393 A396 L397 V400 P409 L417	V377-I381 HydrophobicContact CG1-CD1 3.78Å; V377-I381 HydrophobicContact CG1-CG1 4.32Å; V377-I381 WeakPolarHBondContact O-CG1 3.42Å; V377-I381 PolarHBondContact O-N 3.19Å; A378-I381 PolarHBondContact O-N 2.93Å; I381-Y383 PolarHBondContact O-N 2.84Å; I381-L384 PolarHBondContact O-N 3.2Å; I381-L385 HydrophobicContact CG2-CD1 3.83Å; I381-L385 HydrophobicContact CG2-CG 4.09Å; I381-L385 VanDerWaalsContact O-CG 3.27Å; I381-L385 WeakPolarHBondContact O-CG 3.29Å; I381-L385 PolarHBondContact O-N 2.9Å; I381-V393 HydrophobicContact CG2-CG1 4.42Å; I381-A396 HydrophobicContact CG1-CB 4.48Å; I381-A396 HydrophobicContact CG2-CB 3.71Å; I381-L397 HydrophobicContact CD1-CB 3.97Å; I381-L397 HydrophobicContact CD1-CD1 3.81Å; I381-L397 HydrophobicContact CD1-CG 4.49Å; I381-V400 HydrophobicContact CG1-CG2 4.23Å; I381-P409 HydrophobicContact CD1-CG 3.99Å; I381-L417 HydrophobicContact CB-CD1 4.03Å; I381-L417 HydrophobicContact CB-CD2 4.22Å; I381-L417 HydrophobicContact CD1-CD1 4.21Å; I381-L417 HydrophobicContact CG2-CD1 3.83Å; I381-L417 HydrophobicContact CG2-CD2 4.02Å; I381-L417 HydrophobicContact CG2-CG 4.38Å
382	A	98.5	Very high	92.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-54.8	-41.5	175.4	0	0	0	0	0	112.1	F348 A378 V379 L385 Y386 L417 Y420	F348-A382 HydrophobicContact CB-CB 3.93Å; F348-A382 HydrophobicContact CD1-CB 3.63Å; F348-A382 HydrophobicContact CD2-CB 4.05Å; F348-A382 HydrophobicContact CE1-CB 4.1Å; F348-A382 HydrophobicContact CE2-CB 4.49Å; F348-A382 HydrophobicContact CG-CB 3.61Å; A378-A382 WeakPolarHBondContact O-CB 3.45Å; A378-A382 PolarHBondContact O-N 3.07Å; V379-A382 PolarHBondContact O-N 2.81Å; A382-L385 PolarHBondContact O-N 2.8Å; A382-Y386 PolarHBondContact O-N 3.4Å; A382-L417 HydrophobicContact CB-CD2 3.9Å; A382-Y420 HydrophobicContact CB-CD1 3.93Å; A382-Y420 HydrophobicContact CB-CE1 3.9Å; A382-Y420 WeakPolarHBondContact O-CE1 3.44Å
383	Y	98.6	Very high	91.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-43.4	172.8	178.3	-91.8	0	0	0	113.6	L287 F289 L290 V352 I355 E356 R359 V379 V380 I381 L385 Y386 N387	L287-Y383 HydrophobicContact CD1-CD1 4.29Å; L287-Y383 HydrophobicContact CD1-CE1 3.69Å; F289-Y383 HydrophobicContact CE2-CE1 4.37Å; F289-Y383 AromaticContact CZ-CE1 4Å; F289-Y383 HydrophobicContact CZ-CE1 4Å; F289-Y383 AromaticContact CZ-CZ 3.97Å; F289-Y383 WeakPolarHBondContact CZ-OH 3.48Å; L290-Y383 HydrophobicContact CD2-CD1 3.72Å; L290-Y383 HydrophobicContact CD2-CE1 4.22Å; L290-Y383 HydrophobicContact CD2-CG 4.43Å; V352-Y383 HydrophobicContact CG1-CD2 4.48Å; V352-Y383 HydrophobicContact CG2-CD2 4.47Å; I355-Y383 HydrophobicContact CB-CD2 3.64Å; I355-Y383 HydrophobicContact CB-CE2 3.79Å; I355-Y383 HydrophobicContact CB-CG 4.37Å; I355-Y383 HydrophobicContact CD1-CD2 3.83Å; I355-Y383 HydrophobicContact CD1-CG 3.83Å; I355-Y383 HydrophobicContact CG1-CD2 4.34Å; I355-Y383 HydrophobicContact CG2-CD1 4.3Å; I355-Y383 HydrophobicContact CG2-CD2 3.49Å; I355-Y383 VanDerWaalsContact CG2-CD2 3.49Å; I355-Y383 HydrophobicContact CG2-CE1 4.2Å; I355-Y383 HydrophobicContact CG2-CE2 3.32Å; I355-Y383 HydrophobicContact CG2-CG 3.99Å; E356-Y383 HydrophobicContact CG-CE2 4.27Å; E356-Y383 PolarHBondContact OE1-OH 3.24Å; R359-Y383 WeakPolarHBondContact CD-OH 3.38Å; V379-Y383 PolarHBondContact O-N 2.9Å; V379-Y383 VanDerWaalsContact O-N 3.14Å; V380-Y383 WeakPolarHBondContact O-CB 3.18Å; V380-Y383 PolarHBondContact O-N 3.25Å; I381-Y383 PolarHBondContact O-N 2.84Å; Y383-L385 VanDerWaalsContact C-N 3.32Å; Y383-L385 PolarHBondContact O-N 3.43Å; Y383-Y386 PolarHBondContact O-N 3.25Å; Y383-N387 HydrophobicContact CE1-CB 3.97Å; Y383-N387 VanDerWaalsContact O-CB 3.29Å; Y383-N387 WeakPolarHBondContact O-CB 3.39Å; Y383-N387 PolarHBondContact O-N 3.08Å; Y383-N387 PolarHBondContact OH-OD1 3.4Å
384	L	97.4	Very high	91.4	Very high	7 Å²	7	28 Å²	28	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-40.3	177.3	-66.9	174.1	0	0	0	112	I286 L287 V380 I381 N387 N388 L391 A396 F399 V400	I286-L384 HydrophobicContact CG2-CD1 4.33Å; L287-L384 HydrophobicContact CD1-CD2 4.01Å; L287-L384 HydrophobicContact CD2-CD2 4.37Å; L287-L384 HydrophobicContact CG-CD2 4.31Å; V380-L384 HydrophobicContact CG1-CD1 4.31Å; V380-L384 WeakPolarHBondContact O-CG 3.29Å; V380-L384 PolarHBondContact O-N 3.36Å; I381-L384 PolarHBondContact O-N 3.2Å; L384-N387 PolarHBondContact O-N 3.07Å; L384-N388 PolarHBondContact O-N 2.91Å; L384-L391 HydrophobicContact CB-CD2 3.87Å; L384-A396 HydrophobicContact CB-CB 4.24Å; L384-A396 HydrophobicContact CD1-CB 4.46Å; L384-F399 HydrophobicContact CD1-CD1 3.78Å; L384-F399 HydrophobicContact CD1-CE1 4.39Å; L384-F399 HydrophobicContact CD2-CD1 4.32Å; L384-F399 HydrophobicContact CD2-CE1 4.2Å; L384-V400 HydrophobicContact CD1-CG2 3.6Å
385	L	94.6	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.1	-37.3	175.9	-60.4	170.8	0	0	0	112.4	I381 A382 Y383 L391 V393 A396 L417 Y421 L424	I381-L385 HydrophobicContact CG2-CD1 3.83Å; I381-L385 HydrophobicContact CG2-CG 4.09Å; I381-L385 VanDerWaalsContact O-CG 3.27Å; I381-L385 WeakPolarHBondContact O-CG 3.29Å; I381-L385 PolarHBondContact O-N 2.9Å; A382-L385 PolarHBondContact O-N 2.8Å; Y383-L385 VanDerWaalsContact C-N 3.32Å; Y383-L385 PolarHBondContact O-N 3.43Å; L385-L391 WeakPolarHBondContact CD2-O 3.5Å; L385-V393 HydrophobicContact CD1-CG2 4.04Å; L385-V393 HydrophobicContact CD2-CG2 4.45Å; L385-A396 HydrophobicContact CD2-CB 3.95Å; L385-A396 HydrophobicContact CG-CB 4.38Å; L385-L417 HydrophobicContact CD1-CB 4.48Å; L385-L417 HydrophobicContact CD1-CD2 4.48Å; L385-Y421 HydrophobicContact CD2-CD2 4.05Å; L385-L424 HydrophobicContact CB-CD1 4.21Å
386	Y	96.2	Very high	90.1	Very high	74 Å²	74	30.8 Å²	30.8	29%	0.29	16%	0.16	S	C	.	.	H	α-helix	trans	-66.1	-46.4	173.5	170.4	-88.7	0	0	0	112.1	V352 E356 A382 Y383 R389 L424	V352-Y386 HydrophobicContact CB-CG 4.5Å; V352-Y386 HydrophobicContact CG1-CD1 3.4Å; V352-Y386 HydrophobicContact CG1-CD2 3.5Å; V352-Y386 VanDerWaalsContact CG1-CD2 3.5Å; V352-Y386 HydrophobicContact CG1-CE1 3.8Å; V352-Y386 HydrophobicContact CG1-CE2 3.87Å; V352-Y386 HydrophobicContact CG1-CG 3.25Å; E356-Y386 HydrophobicContact CG-CD1 4.44Å; E356-Y386 HydrophobicContact CG-CE1 3.65Å; A382-Y386 PolarHBondContact O-N 3.4Å; Y383-Y386 PolarHBondContact O-N 3.25Å; Y386-R389 PolarHBondContact O-NE 3.49Å; Y386-R389 PolarHBondContact O-NH2 3.42Å; Y386-L424 HydrophobicContact CD2-CD2 4.23Å
387	N	92.5	Very high	89.6	Confident	80 Å²	80	31.9 Å²	31.9	43%	0.428	17%	0.166	S	C	.	.	H	α-helix	trans	-74.7	-36.6	-173.6	-179.9	81.8	0	0	0	112.6	Y383 L384	Y383-N387 HydrophobicContact CE1-CB 3.97Å; Y383-N387 VanDerWaalsContact O-CB 3.29Å; Y383-N387 WeakPolarHBondContact O-CB 3.39Å; Y383-N387 PolarHBondContact O-N 3.08Å; Y383-N387 PolarHBondContact OH-OD1 3.4Å; L384-N387 PolarHBondContact O-N 3.07Å
388	N	88.8	Confident	88.7	Confident	78 Å²	78	34.9 Å²	34.9	42%	0.417	18%	0.18	S	C	.	.			trans	-122.6	99.6	174.4	-177.1	-3.6	0	0	0	110.4	L384 G390 L391	L384-N388 PolarHBondContact O-N 2.91Å; N388-G390 PolarHBondContact O-N 2.99Å; N388-G390 PolarHBondContact OD1-N 3.44Å; N388-L391 HydrophobicContact CB-CB 4Å; N388-L391 WeakPolarHBondContact O-CB 3.37Å; N388-L391 PolarHBondContact O-N 3.5Å
389	R	80	Confident	88.1	Confident	85 Å²	85	37.9 Å²	37.9	32%	0.321	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.3	-179.4	-58.9	-64.6	166	119	-1.3	113.8	Y386 L391 L424 H425	Y386-R389 PolarHBondContact O-NE 3.49Å; Y386-R389 PolarHBondContact O-NH2 3.42Å; R389-L391 PolarHBondContact O-N 3.5Å; R389-L424 PolarHBondContact NH1-O 3.01Å; R389-H425 PolarHBondContact O-CE1 3.29Å; R389-H425 VanDerWaalsContact O-CE1 3.31Å; R389-H425 PolarHBondContact O-NE2 3.04Å; R389-H425 VanDerWaalsContact O-NE2 3.09Å
390	G	78.4	Confident	87.5	Confident	70 Å²	70	37.8 Å²	37.8	72%	0.722	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.9	172.1	0	0	0	0	0	113.6	N388	N388-G390 PolarHBondContact O-N 2.99Å; N388-G390 PolarHBondContact OD1-N 3.44Å
391	L	79.6	Confident	87	Confident	31 Å²	31	40.4 Å²	40.4	16%	0.162	21%	0.205	C	C	.	.			trans	-87.7	121.1	-180	-160.5	70.9	0	0	0	110	L384 L385 N388 R389 K395 A396 Y421	L384-L391 HydrophobicContact CB-CD2 3.87Å; L385-L391 WeakPolarHBondContact CD2-O 3.5Å; N388-L391 HydrophobicContact CB-CB 4Å; N388-L391 WeakPolarHBondContact O-CB 3.37Å; N388-L391 PolarHBondContact O-N 3.5Å; R389-L391 PolarHBondContact O-N 3.5Å; L391-K395 HydrophobicContact CD1-CB 3.51Å; L391-K395 HydrophobicContact CG-CB 4.23Å; L391-A396 HydrophobicContact CD2-CB 3.65Å; L391-A396 HydrophobicContact CG-CB 4.02Å; L391-Y421 VanDerWaalsContact O-CE2 3.31Å; L391-Y421 WeakPolarHBondContact O-CE2 3.37Å
392	N	81.7	Confident	86.1	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.251	24%	0.237	S	C	.	.			trans	-85.5	165.9	169.7	64.2	56.6	0	0	0	111.3	Y394 K395 A396 Y421	N392-Y394 PolarHBondContact O-N 2.99Å; N392-Y394 VanDerWaalsContact O-N 3.13Å; N392-Y394 WeakPolarHBondContact OD1-CB 3.15Å; N392-Y394 PolarHBondContact OD1-N 2.81Å; N392-Y394 VanDerWaalsContact OD1-N 3.12Å; N392-K395 PolarHBondContact O-N 3.32Å; N392-K395 PolarHBondContact OD1-N 3.48Å; N392-A396 PolarHBondContact O-N 2.84Å; N392-Y421 HydrophobicContact CB-CE2 4.4Å
393	V	76.9	Confident	85.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-53.4	-36.1	-177.6	-170.7	0	0	0	0	112.6	I381 L385 L397 M414 L417 Q418 Y421	I381-V393 HydrophobicContact CG2-CG1 4.42Å; L385-V393 HydrophobicContact CD1-CG2 4.04Å; L385-V393 HydrophobicContact CD2-CG2 4.45Å; V393-L397 WeakPolarHBondContact O-CB 3.16Å; V393-L397 PolarHBondContact O-N 2.9Å; V393-M414 HydrophobicContact CG1-CE 3.8Å; V393-M414 HydrophobicContact CG1-SD 4.44Å; V393-L417 HydrophobicContact CG1-CB 3.81Å; V393-L417 HydrophobicContact CG1-CD1 4.39Å; V393-L417 HydrophobicContact CG2-CB 4.37Å; V393-Q418 HydrophobicContact CG2-CB 4.45Å; V393-Y421 HydrophobicContact CG2-CG 4.47Å
394	Y	79	Confident	85.1	Confident	82 Å²	82	50 Å²	50	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-71.1	-47.8	-179.3	-73.6	-86.2	0	0	0	112.2	M1 N392 A396 L397 E398	M1-Y394 WeakPolarHBondContact CA-OH 3.47Å; M1-Y394 HydrophobicContact CG-CE1 4.47Å; M1-Y394 PolarHBondContact N-OH 3.26Å; N392-Y394 PolarHBondContact O-N 2.99Å; N392-Y394 VanDerWaalsContact O-N 3.13Å; N392-Y394 WeakPolarHBondContact OD1-CB 3.15Å; N392-Y394 PolarHBondContact OD1-N 2.81Å; N392-Y394 VanDerWaalsContact OD1-N 3.12Å; Y394-A396 VanDerWaalsContact C-N 3.27Å; Y394-A396 PolarHBondContact O-N 2.92Å; Y394-L397 PolarHBondContact O-N 3.33Å; Y394-E398 WeakPolarHBondContact O-CB 3.38Å; Y394-E398 PolarHBondContact O-N 3.31Å
395	K	79.3	Confident	84.4	Confident	90 Å²	90	53.7 Å²	53.7	39%	0.391	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-29.6	175.5	-70.9	-50.9	-165.4	177.4	0	112.6	L391 N392 E398 F399	L391-K395 HydrophobicContact CD1-CB 3.51Å; L391-K395 HydrophobicContact CG-CB 4.23Å; N392-K395 PolarHBondContact O-N 3.32Å; N392-K395 PolarHBondContact OD1-N 3.48Å; K395-E398 WeakPolarHBondContact CD-OE2 3.46Å; K395-E398 WeakPolarHBondContact CE-OE2 3.09Å; K395-E398 VanDerWaalsContact NZ-CD 3.31Å; K395-E398 IonicContact NZ-OE1 3.38Å; K395-E398 PolarHBondContact NZ-OE1 3.09Å; K395-E398 VanDerWaalsContact NZ-OE1 3.17Å; K395-E398 IonicContact NZ-OE2 3.42Å; K395-E398 PolarHBondContact NZ-OE2 3.43Å; K395-F399 VanDerWaalsContact O-CB 3.29Å; K395-F399 WeakPolarHBondContact O-CB 3.49Å; K395-F399 PolarHBondContact O-N 3.46Å
396	A	82.9	Confident	83.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.3	-42.8	171.5	0	0	0	0	0	112.5	I381 L384 L385 L391 N392 Y394 F399 V400	I381-A396 HydrophobicContact CG1-CB 4.48Å; I381-A396 HydrophobicContact CG2-CB 3.71Å; L384-A396 HydrophobicContact CB-CB 4.24Å; L384-A396 HydrophobicContact CD1-CB 4.46Å; L385-A396 HydrophobicContact CD2-CB 3.95Å; L385-A396 HydrophobicContact CG-CB 4.38Å; L391-A396 HydrophobicContact CD2-CB 3.65Å; L391-A396 HydrophobicContact CG-CB 4.02Å; N392-A396 PolarHBondContact O-N 2.84Å; Y394-A396 VanDerWaalsContact C-N 3.27Å; Y394-A396 PolarHBondContact O-N 2.92Å; A396-F399 PolarHBondContact O-N 2.94Å; A396-V400 WeakPolarHBondContact O-CG2 3.37Å; A396-V400 PolarHBondContact O-N 3.33Å
397	L	87	Confident	83.2	Confident	23 Å²	23	51.1 Å²	51.1	12%	0.12	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-46.8	174.4	178.5	61.2	0	0	0	111.7	V377 I381 V393 Y394 F399 V400 Q401 P409 M414	V377-L397 HydrophobicContact CG1-CD1 4.43Å; I381-L397 HydrophobicContact CD1-CB 3.97Å; I381-L397 HydrophobicContact CD1-CD1 3.81Å; I381-L397 HydrophobicContact CD1-CG 4.49Å; V393-L397 WeakPolarHBondContact O-CB 3.16Å; V393-L397 PolarHBondContact O-N 2.9Å; Y394-L397 PolarHBondContact O-N 3.33Å; L397-F399 VanDerWaalsContact C-N 3.32Å; L397-F399 PolarHBondContact O-N 3.12Å; L397-V400 PolarHBondContact O-N 3.16Å; L397-V400 VanDerWaalsContact O-N 3.12Å; L397-Q401 HydrophobicContact CD1-CG 3.99Å; L397-Q401 HydrophobicContact CG-CG 4.23Å; L397-Q401 WeakPolarHBondContact O-CB 3.25Å; L397-Q401 WeakPolarHBondContact O-CG 3.46Å; L397-Q401 PolarHBondContact O-N 2.85Å; L397-P409 HydrophobicContact CD1-CG 4.49Å; L397-M414 HydrophobicContact CD2-CE 3.84Å; L397-M414 HydrophobicContact CD2-SD 4.23Å
398	E	79.4	Confident	82.9	Confident	62 Å²	62	48.9 Å²	48.9	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-56.8	-44	176.3	-178	-175.7	170	0	0	111.8	L266 Y394 K395 V400 Q401 A402	L266-E398 HydrophobicContact CD1-CB 4.37Å; L266-E398 VanDerWaalsContact CD1-CD 3.45Å; L266-E398 HydrophobicContact CD1-CG 3.96Å; L266-E398 WeakPolarHBondContact CD1-OE2 3.06Å; Y394-E398 WeakPolarHBondContact O-CB 3.38Å; Y394-E398 PolarHBondContact O-N 3.31Å; K395-E398 WeakPolarHBondContact CD-OE2 3.46Å; K395-E398 WeakPolarHBondContact CE-OE2 3.09Å; K395-E398 VanDerWaalsContact NZ-CD 3.31Å; K395-E398 IonicContact NZ-OE1 3.38Å; K395-E398 PolarHBondContact NZ-OE1 3.09Å; K395-E398 VanDerWaalsContact NZ-OE1 3.17Å; K395-E398 IonicContact NZ-OE2 3.42Å; K395-E398 PolarHBondContact NZ-OE2 3.43Å; E398-V400 VanDerWaalsContact C-N 3.29Å; E398-V400 PolarHBondContact O-N 3.12Å; E398-Q401 PolarHBondContact O-N 3.2Å; E398-A402 WeakPolarHBondContact O-CB 3.34Å; E398-A402 PolarHBondContact O-N 3.43Å
399	F	82.8	Confident	82.6	Confident	63 Å²	63	45.7 Å²	45.7	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-35.6	177.1	-179.6	-87.9	0	0	0	113.2	I286 L287 L384 K395 A396 L397 R403	I286-F399 HydrophobicContact CG2-CD1 4.2Å; I286-F399 HydrophobicContact CG2-CE1 3.81Å; I286-F399 VanDerWaalsContact O-CE1 3.31Å; I286-F399 WeakPolarHBondContact O-CE1 3.45Å; L287-F399 HydrophobicContact CD2-CE1 4.06Å; L287-F399 HydrophobicContact CD2-CZ 3.9Å; L384-F399 HydrophobicContact CD1-CD1 3.78Å; L384-F399 HydrophobicContact CD1-CE1 4.39Å; L384-F399 HydrophobicContact CD2-CD1 4.32Å; L384-F399 HydrophobicContact CD2-CE1 4.2Å; K395-F399 VanDerWaalsContact O-CB 3.29Å; K395-F399 WeakPolarHBondContact O-CB 3.49Å; K395-F399 PolarHBondContact O-N 3.46Å; A396-F399 PolarHBondContact O-N 2.94Å; L397-F399 VanDerWaalsContact C-N 3.32Å; L397-F399 PolarHBondContact O-N 3.12Å; F399-R403 VanDerWaalsContact CE2-NH1 3.32Å; F399-R403 VanDerWaalsContact CZ-CZ 3.42Å; F399-R403 PolarHBondContact O-NH1 3.08Å
400	V	88.1	Confident	82.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-77	-44.1	175.1	177.7	0	0	0	0	111.1	I286 L292 V377 V380 I381 L384 A396 L397 E398 A402 R403 R404 A407	I286-V400 HydrophobicContact CD1-CG1 4.07Å; I286-V400 HydrophobicContact CG2-CG2 4.22Å; L292-V400 HydrophobicContact CD2-CG1 3.65Å; V377-V400 HydrophobicContact CG1-CG1 4.18Å; V380-V400 HydrophobicContact CG1-CG2 3.86Å; I381-V400 HydrophobicContact CG1-CG2 4.23Å; L384-V400 HydrophobicContact CD1-CG2 3.6Å; A396-V400 WeakPolarHBondContact O-CG2 3.37Å; A396-V400 PolarHBondContact O-N 3.33Å; L397-V400 PolarHBondContact O-N 3.16Å; L397-V400 VanDerWaalsContact O-N 3.12Å; E398-V400 VanDerWaalsContact C-N 3.29Å; E398-V400 PolarHBondContact O-N 3.12Å; V400-A402 VanDerWaalsContact C-N 3.28Å; V400-A402 PolarHBondContact O-N 3.22Å; V400-R403 CarbonylContact O-C 3.57Å; V400-R403 WeakPolarHBondContact O-CA 3.22Å; V400-R403 PolarHBondContact O-N 3.48Å; V400-R404 PolarHBondContact O-N 2.78Å; V400-A407 HydrophobicContact CG1-CB 3.78Å
401	Q	86.5	Confident	82.3	Confident	55 Å²	55	47.3 Å²	47.3	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-35.3	179	-78	179.7	-29.2	0	0	112.7	L397 E398 R403 R404 S405 A407	L397-Q401 HydrophobicContact CD1-CG 3.99Å; L397-Q401 HydrophobicContact CG-CG 4.23Å; L397-Q401 WeakPolarHBondContact O-CB 3.25Å; L397-Q401 WeakPolarHBondContact O-CG 3.46Å; L397-Q401 PolarHBondContact O-N 2.85Å; E398-Q401 PolarHBondContact O-N 3.2Å; Q401-R403 PolarHBondContact O-N 3.15Å; Q401-R403 VanDerWaalsContact O-N 3.08Å; Q401-R404 WeakPolarHBondContact CA-O 3.43Å; Q401-R404 CarbonylContact O-C 3.59Å; Q401-R404 PolarHBondContact O-N 2.84Å; Q401-S405 WeakPolarHBondContact O-CA 3.43Å; Q401-S405 PolarHBondContact O-N 3.02Å; Q401-A407 HydrophobicContact CG-CB 4.04Å; Q401-A407 WeakPolarHBondContact CG-O 3.37Å; Q401-A407 PolarHBondContact NE2-O 3.39Å
402	A	79.6	Confident	82.1	Confident	83 Å²	83	50.4 Å²	50.4	69%	0.686	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.7	172.5	0	0	0	0	0	114.4	E398 V400	E398-A402 WeakPolarHBondContact O-CB 3.34Å; E398-A402 PolarHBondContact O-N 3.43Å; V400-A402 VanDerWaalsContact C-N 3.28Å; V400-A402 PolarHBondContact O-N 3.22Å
403	R	88.7	Confident	82.3	Confident	113 Å²	113	48.2 Å²	48.2	43%	0.426	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-24.9	-179.4	-66.5	167.6	170.2	71.2	7.7	113.4	S284 Q285 I286 F399 V400 Q401	S284-R403 WeakPolarHBondContact CB-O 3.43Å; Q285-R403 WeakPolarHBondContact O-CD 3.5Å; I286-R403 HydrophobicContact CD1-CB 3.9Å; I286-R403 PolarHBondContact O-NE 3.36Å; F399-R403 VanDerWaalsContact CE2-NH1 3.32Å; F399-R403 VanDerWaalsContact CZ-CZ 3.42Å; F399-R403 PolarHBondContact O-NH1 3.08Å; V400-R403 CarbonylContact O-C 3.57Å; V400-R403 WeakPolarHBondContact O-CA 3.22Å; V400-R403 PolarHBondContact O-N 3.48Å; Q401-R403 PolarHBondContact O-N 3.15Å; Q401-R403 VanDerWaalsContact O-N 3.08Å
404	R	88.3	Confident	82.8	Confident	7 Å²	7	49.2 Å²	49.2	3%	0.026	26%	0.26	C	S	.	.			trans	-138.3	92.5	173.1	-170.5	174.6	-172.6	78.5	2.5	108.4	S282 S284 L292 A371 G372 V400 Q401 V406 A407	S282-R404 PolarHBondContact O-NH1 3.25Å; S284-R404 WeakPolarHBondContact OG-CB 3.09Å; S284-R404 WeakPolarHBondContact OG-CG 3.44Å; S284-R404 PolarHBondContact OG-NH1 3.01Å; L292-R404 HydrophobicContact CD2-CB 4.21Å; L292-R404 VanDerWaalsContact CD2-CD 3.49Å; L292-R404 HydrophobicContact CD2-CG 4.46Å; A371-R404 PolarHBondContact O-NH2 3.23Å; A371-R404 VanDerWaalsContact O-NH2 3.08Å; G372-R404 WeakPolarHBondContact O-CD 3.47Å; G372-R404 PolarHBondContact O-NE 3.33Å; V400-R404 PolarHBondContact O-N 2.78Å; Q401-R404 WeakPolarHBondContact CA-O 3.43Å; Q401-R404 CarbonylContact O-C 3.59Å; Q401-R404 PolarHBondContact O-N 2.84Å; R404-V406 HydrophobicContact CG-CG2 3.76Å; R404-V406 PolarHBondContact O-N 3.13Å; R404-V406 VanDerWaalsContact O-N 3.14Å; R404-A407 HydrophobicContact CB-CB 4.31Å; R404-A407 WeakPolarHBondContact O-CB 3.23Å; R404-A407 PolarHBondContact O-N 3.22Å
405	S	82	Confident	82.6	Confident	83 Å²	83	47.4 Å²	47.4	58%	0.58	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.3	-175.6	54	0	0	0	0	113.9	Q401 A407	Q401-S405 WeakPolarHBondContact O-CA 3.43Å; Q401-S405 PolarHBondContact O-N 3.02Å; S405-A407 PolarHBondContact O-N 3.18Å
406	V	83.4	Confident	82.9	Confident	18 Å²	18	44 Å²	44	11%	0.109	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	3.2	176.3	-57.2	0	0	0	0	114.4	A281 V373 R404 G408	A281-V406 HydrophobicContact CB-CG2 4.08Å; V373-V406 WeakPolarHBondContact CG1-O 3.43Å; V373-V406 HydrophobicContact CG2-CB 4.34Å; V373-V406 HydrophobicContact CG2-CG2 4.28Å; R404-V406 HydrophobicContact CG-CG2 3.76Å; R404-V406 PolarHBondContact O-N 3.13Å; R404-V406 VanDerWaalsContact O-N 3.14Å; V406-G408 PolarHBondContact O-N 3.24Å
407	A	83.3	Confident	83.3	Confident	3 Å²	3	44 Å²	44	3%	0.025	25%	0.252	C	S	.	.			trans	-71.2	121.1	-179.6	0	0	0	0	0	111.9	V377 V400 Q401 R404 S405	V377-A407 HydrophobicContact CG1-CB 3.98Å; V377-A407 HydrophobicContact CG2-CB 3.91Å; V400-A407 HydrophobicContact CG1-CB 3.78Å; Q401-A407 HydrophobicContact CG-CB 4.04Å; Q401-A407 WeakPolarHBondContact CG-O 3.37Å; Q401-A407 PolarHBondContact NE2-O 3.39Å; R404-A407 HydrophobicContact CB-CB 4.31Å; R404-A407 WeakPolarHBondContact O-CB 3.23Å; R404-A407 PolarHBondContact O-N 3.22Å; S405-A407 PolarHBondContact O-N 3.18Å
408	G	85	Confident	83.2	Confident	32 Å²	32	45 Å²	45	33%	0.33	26%	0.256	S	S	.	.			trans	-164.1	91.2	-179.5	0	0	0	0	0	111.1	V373 S374 V406	V373-G408 CarbonylContact O-C 3.48Å; V373-G408 VanDerWaalsContact O-C 3.23Å; V373-G408 PolarHBondContact O-N 3.45Å; S374-G408 WeakPolarHBondContact CB-O 3.45Å; V406-G408 PolarHBondContact O-N 3.24Å
409	P	83.2	Confident	83.5	Confident	12 Å²	12	44.3 Å²	44.3	8%	0.078	26%	0.26	C	S	.	.			trans	-56.9	142	169.3	-20	32.7	0	0	0	110.9	V377 A378 I381 L397 F413 M414	V377-P409 HydrophobicContact CB-CG 4.05Å; V377-P409 HydrophobicContact CG1-CG 3.62Å; A378-P409 HydrophobicContact CB-CB 4.48Å; I381-P409 HydrophobicContact CD1-CG 3.99Å; L397-P409 HydrophobicContact CD1-CG 4.49Å; P409-F413 HydrophobicContact CB-CB 4.01Å; P409-M414 HydrophobicContact CB-CG 4.13Å; P409-M414 HydrophobicContact CB-SD 3.98Å; P409-M414 HydrophobicContact CG-SD 3.92Å
410	N	78.7	Confident	83.9	Confident	33 Å²	33	41.4 Å²	41.4	18%	0.176	25%	0.248	C	C	.	.			trans	-58.3	155.1	170.2	76.7	50.7	0	0	0	110.5	D338 S374 H412 F413 M414	D338-N410 PolarHBondContact OD1-ND2 2.96Å; S374-N410 PolarHBondContact OG-N 2.85Å; N410-H412 PolarHBondContact O-N 3.09Å; N410-H412 VanDerWaalsContact O-N 3.09Å; N410-H412 WeakPolarHBondContact OD1-CA 3.36Å; N410-H412 VanDerWaalsContact OD1-CB 3.29Å; N410-H412 WeakPolarHBondContact OD1-CB 3.36Å; N410-H412 PolarHBondContact OD1-N 2.74Å; N410-F413 VanDerWaalsContact ND2-CD2 3.3Å; N410-F413 WeakPolarHBondContact ND2-CD2 3.21Å; N410-F413 WeakPolarHBondContact ND2-CE2 3.06Å; N410-F413 WeakPolarHBondContact ND2-CZ 3.22Å; N410-F413 PolarHBondContact O-N 3.25Å; N410-F413 PolarHBondContact OD1-N 3.46Å; N410-M414 PolarHBondContact O-N 3.31Å
411	L	72.1	Confident	83.9	Confident	156 Å²	156	43.1 Å²	43.1	82%	0.817	25%	0.254	S	S	*	.	H	α-helix	trans	-59.4	-27.6	-173.2	-64.6	175.9	0	0	0	113.2	M414 G415	L411-M414 PolarHBondContact O-N 3.27Å; L411-G415 PolarHBondContact O-N 2.9Å
412	H	76.3	Confident	83.8	Confident	96 Å²	96	43.5 Å²	43.5	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-71	-41.6	177.5	-129.1	73.1	0	0	0	111.6	T340 N410 M414 G415 Q416	T340-H412 PolarHBondContact O-CD2 3.16Å; T340-H412 VanDerWaalsContact O-CG 3.28Å; T340-H412 PolarHBondContact O-NE2 2.89Å; N410-H412 PolarHBondContact O-N 3.09Å; N410-H412 VanDerWaalsContact O-N 3.09Å; N410-H412 WeakPolarHBondContact OD1-CA 3.36Å; N410-H412 VanDerWaalsContact OD1-CB 3.29Å; N410-H412 WeakPolarHBondContact OD1-CB 3.36Å; N410-H412 PolarHBondContact OD1-N 2.74Å; H412-M414 VanDerWaalsContact C-N 3.35Å; H412-G415 PolarHBondContact O-N 2.77Å; H412-Q416 WeakPolarHBondContact O-CG 3.4Å; H412-Q416 PolarHBondContact O-N 3.07Å
413	F	84.9	Confident	84.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-37.2	169.6	-61.3	-24.4	0	0	0	112.1	Q342 L344 S374 R375 A378 P409 N410 G415 Q416 L417	Q342-F413 HydrophobicContact CB-CE1 3.83Å; Q342-F413 HydrophobicContact CB-CZ 4.01Å; Q342-F413 HydrophobicContact CG-CE1 3.91Å; Q342-F413 HydrophobicContact CG-CZ 4.03Å; Q342-F413 WeakPolarHBondContact O-CE1 3.18Å; L344-F413 HydrophobicContact CB-CD1 4.43Å; L344-F413 HydrophobicContact CB-CE1 4.41Å; L344-F413 HydrophobicContact CD1-CD1 3.77Å; L344-F413 HydrophobicContact CD1-CD2 4.09Å; L344-F413 HydrophobicContact CD1-CE1 3.56Å; L344-F413 HydrophobicContact CD1-CE2 3.9Å; L344-F413 HydrophobicContact CD1-CG 4.05Å; L344-F413 HydrophobicContact CD1-CZ 3.64Å; L344-F413 HydrophobicContact CG-CD1 4.08Å; L344-F413 HydrophobicContact CG-CE1 3.67Å; L344-F413 HydrophobicContact CG-CZ 4.08Å; S374-F413 VanDerWaalsContact OG-CD2 3.31Å; S374-F413 WeakPolarHBondContact OG-CD2 3.45Å; S374-F413 WeakPolarHBondContact OG-CE2 3.37Å; R375-F413 HydrophobicContact CB-CE2 4.34Å; R375-F413 HydrophobicContact CG-CE2 3.57Å; R375-F413 HydrophobicContact CG-CZ 3.82Å; A378-F413 HydrophobicContact CB-CB 3.98Å; A378-F413 HydrophobicContact CB-CD2 4.27Å; A378-F413 HydrophobicContact CB-CG 4.26Å; P409-F413 HydrophobicContact CB-CB 4.01Å; N410-F413 VanDerWaalsContact ND2-CD2 3.3Å; N410-F413 WeakPolarHBondContact ND2-CD2 3.21Å; N410-F413 WeakPolarHBondContact ND2-CE2 3.06Å; N410-F413 WeakPolarHBondContact ND2-CZ 3.22Å; N410-F413 PolarHBondContact O-N 3.25Å; N410-F413 PolarHBondContact OD1-N 3.46Å; F413-G415 VanDerWaalsContact C-N 3.3Å; F413-G415 PolarHBondContact O-N 3.12Å; F413-Q416 PolarHBondContact O-N 2.81Å; F413-L417 VanDerWaalsContact O-CG 3.23Å; F413-L417 WeakPolarHBondContact O-CG 3.18Å; F413-L417 PolarHBondContact O-N 2.95Å
414	M	87.3	Confident	84.2	Confident	23 Å²	23	37 Å²	37	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-39	173.4	-69	-62.8	-67.9	0	0	112.4	V393 L397 P409 N410 L411 H412 L417 Q418	V393-M414 HydrophobicContact CG1-CE 3.8Å; V393-M414 HydrophobicContact CG1-SD 4.44Å; L397-M414 HydrophobicContact CD2-CE 3.84Å; L397-M414 HydrophobicContact CD2-SD 4.23Å; P409-M414 HydrophobicContact CB-CG 4.13Å; P409-M414 HydrophobicContact CB-SD 3.98Å; P409-M414 HydrophobicContact CG-SD 3.92Å; N410-M414 PolarHBondContact O-N 3.31Å; L411-M414 PolarHBondContact O-N 3.27Å; H412-M414 VanDerWaalsContact C-N 3.35Å; M414-L417 PolarHBondContact O-N 2.9Å; M414-L417 HydrophobicContact SD-CD1 4.19Å; M414-Q418 PolarHBondContact O-N 3.07Å; M414-Q418 VanDerWaalsContact O-N 3.13Å
415	G	74.9	Confident	84.1	Confident	43 Å²	43	39 Å²	39	44%	0.443	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-45.1	171.6	0	0	0	0	0	112.9	L411 H412 F413 L417 Q418 A419	L411-G415 PolarHBondContact O-N 2.9Å; H412-G415 PolarHBondContact O-N 2.77Å; F413-G415 VanDerWaalsContact C-N 3.3Å; F413-G415 PolarHBondContact O-N 3.12Å; G415-L417 VanDerWaalsContact C-N 3.32Å; G415-L417 PolarHBondContact O-N 2.82Å; G415-Q418 WeakPolarHBondContact O-CB 3.49Å; G415-Q418 PolarHBondContact O-N 2.89Å; G415-Q418 VanDerWaalsContact O-N 3.15Å; G415-A419 PolarHBondContact O-N 3.02Å
416	Q	87.4	Confident	84.1	Confident	19 Å²	19	38.3 Å²	38.3	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-37.4	176.3	-69.9	164.7	28.4	0	0	112.5	Q342 L345 F348 H412 F413 Q418 A419 Y420	Q342-Q416 PolarHBondContact O-NE2 2.97Å; L345-Q416 HydrophobicContact CB-CB 4.18Å; L345-Q416 HydrophobicContact CB-CG 4.24Å; F348-Q416 HydrophobicContact CE2-CB 4.17Å; F348-Q416 HydrophobicContact CZ-CB 4.43Å; H412-Q416 WeakPolarHBondContact O-CG 3.4Å; H412-Q416 PolarHBondContact O-N 3.07Å; F413-Q416 PolarHBondContact O-N 2.81Å; Q416-Q418 VanDerWaalsContact C-N 3.34Å; Q416-A419 PolarHBondContact O-N 3.24Å; Q416-Y420 WeakPolarHBondContact O-CB 3.45Å; Q416-Y420 PolarHBondContact O-N 3.34Å
417	L	89.5	Confident	84.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-34.8	174.6	-68.3	167	0	0	0	112.5	F348 A378 I381 A382 L385 V393 F413 M414 G415 Y420 Y421	F348-L417 HydrophobicContact CE1-CD2 4.26Å; F348-L417 HydrophobicContact CE2-CD2 3.75Å; F348-L417 HydrophobicContact CE2-CG 4.32Å; F348-L417 HydrophobicContact CZ-CD2 3.6Å; F348-L417 HydrophobicContact CZ-CG 4.13Å; A378-L417 HydrophobicContact CB-CD1 4.24Å; A378-L417 WeakPolarHBondContact O-CD2 3.1Å; I381-L417 HydrophobicContact CB-CD1 4.03Å; I381-L417 HydrophobicContact CB-CD2 4.22Å; I381-L417 HydrophobicContact CD1-CD1 4.21Å; I381-L417 HydrophobicContact CG2-CD1 3.83Å; I381-L417 HydrophobicContact CG2-CD2 4.02Å; I381-L417 HydrophobicContact CG2-CG 4.38Å; A382-L417 HydrophobicContact CB-CD2 3.9Å; L385-L417 HydrophobicContact CD1-CB 4.48Å; L385-L417 HydrophobicContact CD1-CD2 4.48Å; V393-L417 HydrophobicContact CG1-CB 3.81Å; V393-L417 HydrophobicContact CG1-CD1 4.39Å; V393-L417 HydrophobicContact CG2-CB 4.37Å; F413-L417 VanDerWaalsContact O-CG 3.23Å; F413-L417 WeakPolarHBondContact O-CG 3.18Å; F413-L417 PolarHBondContact O-N 2.95Å; M414-L417 PolarHBondContact O-N 2.9Å; M414-L417 HydrophobicContact SD-CD1 4.19Å; G415-L417 VanDerWaalsContact C-N 3.32Å; G415-L417 PolarHBondContact O-N 2.82Å; L417-Y420 PolarHBondContact O-N 2.98Å; L417-Y421 WeakPolarHBondContact O-CB 3.3Å; L417-Y421 PolarHBondContact O-N 3.09Å
418	Q	86.1	Confident	83.1	Confident	45 Å²	45	48 Å²	48	21%	0.21	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-41.6	173.1	-169	64.9	46.1	0	0	111.4	V393 M414 G415 Q416 Y421 H422	V393-Q418 HydrophobicContact CG2-CB 4.45Å; M414-Q418 PolarHBondContact O-N 3.07Å; M414-Q418 VanDerWaalsContact O-N 3.13Å; G415-Q418 WeakPolarHBondContact O-CB 3.49Å; G415-Q418 PolarHBondContact O-N 2.89Å; G415-Q418 VanDerWaalsContact O-N 3.15Å; Q416-Q418 VanDerWaalsContact C-N 3.34Å; Q418-Y421 PolarHBondContact O-N 3.45Å; Q418-H422 PolarHBondContact NE2-NE2 3.09Å; Q418-H422 PolarHBondContact O-CD2 3.15Å; Q418-H422 PolarHBondContact O-N 2.75Å; Q418-H422 VanDerWaalsContact O-N 3.11Å
419	A	84.4	Confident	81.5	Confident	46 Å²	46	49.5 Å²	49.5	38%	0.38	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-45.2	173.2	0	0	0	0	0	111.8	L345 G415 Q416 Y421 H422 D423	L345-A419 HydrophobicContact CD2-CB 4.03Å; G415-A419 PolarHBondContact O-N 3.02Å; Q416-A419 PolarHBondContact O-N 3.24Å; A419-Y421 PolarHBondContact O-N 3.35Å; A419-H422 PolarHBondContact O-N 3.33Å; A419-D423 PolarHBondContact O-N 3.43Å
420	Y	92.1	Very high	79.7	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-43.8	175.7	-169.8	-121.8	0	0	0	112.1	L345 F348 D349 A382 Q416 L417 H422 D423 L424	L345-Y420 HydrophobicContact CD1-CD2 4.04Å; L345-Y420 HydrophobicContact CD1-CG 4.27Å; F348-Y420 HydrophobicContact CB-CD1 4.28Å; F348-Y420 HydrophobicContact CB-CD2 4.06Å; F348-Y420 HydrophobicContact CB-CE1 4.1Å; F348-Y420 HydrophobicContact CB-CE2 3.9Å; F348-Y420 HydrophobicContact CB-CG 4.26Å; F348-Y420 HydrophobicContact CD2-CD1 4.05Å; F348-Y420 HydrophobicContact CD2-CD2 4.08Å; F348-Y420 AromaticContact CD2-CG 3.71Å; F348-Y420 HydrophobicContact CD2-CG 3.71Å; F348-Y420 HydrophobicContact CG-CD1 4.49Å; F348-Y420 HydrophobicContact CG-CG 4.43Å; D349-Y420 PolarHBondContact OD1-OH 3.47Å; A382-Y420 HydrophobicContact CB-CD1 3.93Å; A382-Y420 HydrophobicContact CB-CE1 3.9Å; A382-Y420 WeakPolarHBondContact O-CE1 3.44Å; Q416-Y420 WeakPolarHBondContact O-CB 3.45Å; Q416-Y420 PolarHBondContact O-N 3.34Å; L417-Y420 PolarHBondContact O-N 2.98Å; Y420-H422 VanDerWaalsContact C-N 3.31Å; Y420-H422 PolarHBondContact O-N 2.67Å; Y420-D423 PolarHBondContact O-N 3.24Å; Y420-L424 HydrophobicContact CD1-CD1 3.82Å; Y420-L424 HydrophobicContact CD1-CG 4.2Å; Y420-L424 HydrophobicContact CD2-CG 4.4Å; Y420-L424 HydrophobicContact CE1-CD1 3.49Å; Y420-L424 VanDerWaalsContact CE1-CD1 3.49Å; Y420-L424 HydrophobicContact CE1-CD2 4.26Å; Y420-L424 HydrophobicContact CE1-CG 3.95Å; Y420-L424 HydrophobicContact CE2-CD2 4.06Å; Y420-L424 HydrophobicContact CE2-CG 4.15Å; Y420-L424 HydrophobicContact CG-CD1 4.5Å; Y420-L424 HydrophobicContact CG-CG 4.42Å; Y420-L424 WeakPolarHBondContact O-CB 3.25Å; Y420-L424 VanDerWaalsContact O-CG 3.27Å; Y420-L424 WeakPolarHBondContact O-CG 2.71Å; Y420-L424 PolarHBondContact O-N 3.11Å
421	Y	87.1	Confident	78.4	Confident	37 Å²	37	56.7 Å²	56.7	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-45.3	174.4	173.9	-98.4	0	0	0	111.8	L385 L391 N392 V393 L417 Q418 A419 H425	L385-Y421 HydrophobicContact CD2-CD2 4.05Å; L391-Y421 VanDerWaalsContact O-CE2 3.31Å; L391-Y421 WeakPolarHBondContact O-CE2 3.37Å; N392-Y421 HydrophobicContact CB-CE2 4.4Å; V393-Y421 HydrophobicContact CG2-CG 4.47Å; L417-Y421 WeakPolarHBondContact O-CB 3.3Å; L417-Y421 PolarHBondContact O-N 3.09Å; Q418-Y421 PolarHBondContact O-N 3.45Å; A419-Y421 PolarHBondContact O-N 3.35Å; Y421-H425 AromaticContact CD2-CE1 3.65Å; Y421-H425 AromaticContact CD2-ND1 3.91Å; Y421-H425 AromaticContact CE2-CE1 3.13Å; Y421-H425 WeakPolarHBondContact CE2-CE1 2.55Å; Y421-H425 AromaticContact CE2-ND1 3.73Å; Y421-H425 AromaticContact CE2-NE2 3.91Å; Y421-H425 AromaticContact CZ-CE1 3.44Å; Y421-H425 VanDerWaalsContact CZ-CE1 3.44Å; Y421-H425 AromaticContact CZ-ND1 3.84Å; Y421-H425 AromaticContact CZ-NE2 3.9Å; Y421-H425 PolarHBondContact O-N 3.45Å; Y421-H425 PolarHBondContact O-ND1 3.46Å
422	H	85.2	Confident	77.3	Confident	62 Å²	62	55.7 Å²	55.7	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-44.4	178.2	-71.3	-52.7	0	0	0	113.2	N235 Q418 A419 Y420 L424 H425 S426	N235-H422 PolarHBondContact ND2-CE1 3.49Å; N235-H422 VanDerWaalsContact ND2-CE1 3.33Å; N235-H422 PolarHBondContact ND2-ND1 3.46Å; N235-H422 PolarHBondContact OD1-ND1 3.36Å; Q418-H422 PolarHBondContact NE2-NE2 3.09Å; Q418-H422 PolarHBondContact O-CD2 3.15Å; Q418-H422 PolarHBondContact O-N 2.75Å; Q418-H422 VanDerWaalsContact O-N 3.11Å; A419-H422 PolarHBondContact O-N 3.33Å; Y420-H422 VanDerWaalsContact C-N 3.31Å; Y420-H422 PolarHBondContact O-N 2.67Å; H422-L424 VanDerWaalsContact C-N 3.35Å; H422-L424 PolarHBondContact O-N 2.75Å; H422-H425 PolarHBondContact O-N 3.21Å; H422-H425 VanDerWaalsContact O-N 3.07Å; H422-S426 PolarHBondContact O-N 3.2Å; H422-S426 PolarHBondContact O-OG 2.82Å; H422-S426 VanDerWaalsContact O-OG 3.08Å
423	D	89.2	Confident	75.6	Confident	56 Å²	56	53.6 Å²	53.6	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-57.8	-46.1	174.1	165.9	46.7	0	0	0	111.7	A419 Y420 H425 S426 R427	A419-D423 PolarHBondContact O-N 3.43Å; Y420-D423 PolarHBondContact O-N 3.24Å; D423-H425 PolarHBondContact O-N 2.9Å; D423-H425 VanDerWaalsContact O-N 3.14Å; D423-S426 PolarHBondContact O-N 2.67Å; D423-S426 VanDerWaalsContact O-N 3.13Å; D423-R427 VanDerWaalsContact CG-NE 3.3Å; D423-R427 WeakPolarHBondContact O-CG 3.49Å; D423-R427 PolarHBondContact O-N 3.27Å; D423-R427 IonicContact OD1-CZ 3.69Å; D423-R427 IonicContact OD1-NE 2.9Å; D423-R427 PolarHBondContact OD1-NE 2.77Å; D423-R427 IonicContact OD1-NH2 3.63Å; D423-R427 IonicContact OD2-CZ 3.13Å; D423-R427 IonicContact OD2-NE 3.05Å; D423-R427 PolarHBondContact OD2-NE 3.18Å; D423-R427 IonicContact OD2-NH2 2.65Å; D423-R427 PolarHBondContact OD2-NH2 3.22Å
424	L	88.7	Confident	73.6	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-28.6	174.5	-74.8	-173.8	0	0	0	113.9	L385 Y386 R389 Y420 H422	L385-L424 HydrophobicContact CB-CD1 4.21Å; Y386-L424 HydrophobicContact CD2-CD2 4.23Å; R389-L424 PolarHBondContact NH1-O 3.01Å; Y420-L424 HydrophobicContact CD1-CD1 3.82Å; Y420-L424 HydrophobicContact CD1-CG 4.2Å; Y420-L424 HydrophobicContact CD2-CG 4.4Å; Y420-L424 HydrophobicContact CE1-CD1 3.49Å; Y420-L424 VanDerWaalsContact CE1-CD1 3.49Å; Y420-L424 HydrophobicContact CE1-CD2 4.26Å; Y420-L424 HydrophobicContact CE1-CG 3.95Å; Y420-L424 HydrophobicContact CE2-CD2 4.06Å; Y420-L424 HydrophobicContact CE2-CG 4.15Å; Y420-L424 HydrophobicContact CG-CD1 4.5Å; Y420-L424 HydrophobicContact CG-CG 4.42Å; Y420-L424 WeakPolarHBondContact O-CB 3.25Å; Y420-L424 VanDerWaalsContact O-CG 3.27Å; Y420-L424 WeakPolarHBondContact O-CG 2.71Å; Y420-L424 PolarHBondContact O-N 3.11Å; H422-L424 VanDerWaalsContact C-N 3.35Å; H422-L424 PolarHBondContact O-N 2.75Å
425	H	84.7	Confident	71.4	Confident	51 Å²	51	63.8 Å²	63.8	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-84	-41	175.2	-75.6	70.2	0	0	0	111.7	R389 Y421 H422 D423 R427 K428	R389-H425 PolarHBondContact O-CE1 3.29Å; R389-H425 VanDerWaalsContact O-CE1 3.31Å; R389-H425 PolarHBondContact O-NE2 3.04Å; R389-H425 VanDerWaalsContact O-NE2 3.09Å; Y421-H425 AromaticContact CD2-CE1 3.65Å; Y421-H425 AromaticContact CD2-ND1 3.91Å; Y421-H425 AromaticContact CE2-CE1 3.13Å; Y421-H425 WeakPolarHBondContact CE2-CE1 2.55Å; Y421-H425 AromaticContact CE2-ND1 3.73Å; Y421-H425 AromaticContact CE2-NE2 3.91Å; Y421-H425 AromaticContact CZ-CE1 3.44Å; Y421-H425 VanDerWaalsContact CZ-CE1 3.44Å; Y421-H425 AromaticContact CZ-ND1 3.84Å; Y421-H425 AromaticContact CZ-NE2 3.9Å; Y421-H425 PolarHBondContact O-N 3.45Å; Y421-H425 PolarHBondContact O-ND1 3.46Å; H422-H425 PolarHBondContact O-N 3.21Å; H422-H425 VanDerWaalsContact O-N 3.07Å; D423-H425 PolarHBondContact O-N 2.9Å; D423-H425 VanDerWaalsContact O-N 3.14Å; H425-R427 VanDerWaalsContact C-N 3.34Å; H425-R427 PolarHBondContact O-N 3.01Å; H425-K428 WeakPolarHBondContact O-CB 3.28Å; H425-K428 PolarHBondContact O-N 3.29Å; H425-K428 VanDerWaalsContact O-N 3.08Å
426	S	82.5	Confident	69.9	Low	67 Å²	67	67.3 Å²	67.3	47%	0.469	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-39.6	175.7	-62	0	0	0	0	112.6	H422 D423 K428 S429	H422-S426 PolarHBondContact O-N 3.2Å; H422-S426 PolarHBondContact O-OG 2.82Å; H422-S426 VanDerWaalsContact O-OG 3.08Å; D423-S426 PolarHBondContact O-N 2.67Å; D423-S426 VanDerWaalsContact O-N 3.13Å; S426-K428 PolarHBondContact O-N 3.42Å; S426-S429 PolarHBondContact O-N 3.38Å; S426-S429 PolarHBondContact O-OG 3.42Å
427	R	83.8	Confident	67.5	Low	109 Å²	109	71.6 Å²	71.6	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-57.1	-22.6	174.8	-69.6	174.3	-168.2	-159.6	4	113.7	D349 D423 H425	D349-R427 IonicContact OD1-NH1 3.32Å; D349-R427 PolarHBondContact OD1-NH1 2.88Å; D349-R427 IonicContact OD2-CZ 3.23Å; D349-R427 VanDerWaalsContact OD2-CZ 3.23Å; D349-R427 IonicContact OD2-NH1 2.67Å; D349-R427 PolarHBondContact OD2-NH1 2.8Å; D349-R427 IonicContact OD2-NH2 2.72Å; D349-R427 PolarHBondContact OD2-NH2 2.86Å; D423-R427 VanDerWaalsContact CG-NE 3.3Å; D423-R427 WeakPolarHBondContact O-CG 3.49Å; D423-R427 PolarHBondContact O-N 3.27Å; D423-R427 IonicContact OD1-CZ 3.69Å; D423-R427 IonicContact OD1-NE 2.9Å; D423-R427 PolarHBondContact OD1-NE 2.77Å; D423-R427 IonicContact OD1-NH2 3.63Å; D423-R427 IonicContact OD2-CZ 3.13Å; D423-R427 IonicContact OD2-NE 3.05Å; D423-R427 PolarHBondContact OD2-NE 3.18Å; D423-R427 IonicContact OD2-NH2 2.65Å; D423-R427 PolarHBondContact OD2-NH2 3.22Å; H425-R427 VanDerWaalsContact C-N 3.34Å; H425-R427 PolarHBondContact O-N 3.01Å
428	K	61.6	Low	65.3	Low	116 Å²	116	78 Å²	78	50%	0.504	40%	0.399	S	S	.	.	H	α-helix	trans	-81.4	-31.3	177.6	-166.7	-176.4	176.6	-168.7	0	112.5	H425 S426	H425-K428 WeakPolarHBondContact O-CB 3.28Å; H425-K428 PolarHBondContact O-N 3.29Å; H425-K428 VanDerWaalsContact O-N 3.08Å; S426-K428 PolarHBondContact O-N 3.42Å
429	S	52.3	Low	62.9	Low	63 Å²	63	82.8 Å²	82.8	44%	0.441	42%	0.419	S	S	.	.	H	α-helix	trans	-68.4	-44.3	-176.9	64.6	0	0	0	0	111.7	S426 I431 F432 S433	S426-S429 PolarHBondContact O-N 3.38Å; S426-S429 PolarHBondContact O-OG 3.42Å; S429-I431 VanDerWaalsContact C-N 3.28Å; S429-I431 PolarHBondContact O-N 3.22Å; S429-F432 WeakPolarHBondContact O-CA 3.37Å; S429-F432 WeakPolarHBondContact O-CB 3.28Å; S429-F432 PolarHBondContact O-N 3.19Å; S429-S433 PolarHBondContact O-N 3.49Å; S429-S433 PolarHBondContact O-OG 2.9Å
430	N	45.2	Very low	60.9	Low	98 Å²	98	83.4 Å²	83.4	52%	0.524	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-33.6	-179.6	-72.4	-8.2	0	0	0	113.3	F432 S433 D434	N430-F432 PolarHBondContact O-N 3.4Å; N430-S433 WeakPolarHBondContact O-CB 3.36Å; N430-S433 PolarHBondContact O-N 3.23Å; N430-S433 VanDerWaalsContact O-N 3.09Å; N430-D434 VanDerWaalsContact O-CG 3.3Å; N430-D434 PolarHBondContact O-N 2.88Å
431	I	50.2	Low	58.3	Low	98 Å²	98	90.9 Å²	90.9	50%	0.503	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-28.7	175.4	-61.1	172.4	0	0	0	111.9	S429 K435	S429-I431 VanDerWaalsContact C-N 3.28Å; S429-I431 PolarHBondContact O-N 3.22Å; I431-K435 WeakPolarHBondContact O-CG 3.42Å
432	F	49.4	Very low	56	Low	136 Å²	136	94 Å²	94	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-81.5	-38.3	171.4	-80.3	-91.4	0	0	0	112	S429 N430 D434 K435 L436	S429-F432 WeakPolarHBondContact O-CA 3.37Å; S429-F432 WeakPolarHBondContact O-CB 3.28Å; S429-F432 PolarHBondContact O-N 3.19Å; N430-F432 PolarHBondContact O-N 3.4Å; F432-D434 PolarHBondContact O-N 3.29Å; F432-K435 PolarHBondContact O-N 2.97Å; F432-L436 WeakPolarHBondContact O-CG 3.42Å; F432-L436 PolarHBondContact O-N 3.21Å
433	S	41.4	Very low	53.7	Low	52 Å²	52	99.2 Å²	99.2	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-55.7	-48.6	172.9	-49	0	0	0	0	111.9	S429 N430 K435 L436 N437	S429-S433 PolarHBondContact O-N 3.49Å; S429-S433 PolarHBondContact O-OG 2.9Å; N430-S433 WeakPolarHBondContact O-CB 3.36Å; N430-S433 PolarHBondContact O-N 3.23Å; N430-S433 VanDerWaalsContact O-N 3.09Å; S433-K435 PolarHBondContact O-N 2.69Å; S433-L436 PolarHBondContact O-N 3.39Å; S433-N437 PolarHBondContact O-N 3.41Å
434	D	42.9	Very low	51.1	Low	102 Å²	102	102.8 Å²	102.8	55%	0.545	51%	0.513	S	S	.	.	H	α-helix	trans	-66	-38.6	-178.8	-66	-26.1	0	0	0	111.7	N430 F432 N437 M438	N430-D434 VanDerWaalsContact O-CG 3.3Å; N430-D434 PolarHBondContact O-N 2.88Å; F432-D434 PolarHBondContact O-N 3.29Å; D434-N437 PolarHBondContact O-N 2.92Å; D434-M438 PolarHBondContact O-N 3.33Å
435	K	41.3	Very low	48.5	Very low	134 Å²	134	106.8 Å²	106.8	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-67.5	-32.6	173.7	-78.6	-178.8	176.1	-179.5	0	113.3	I431 F432 S433 K439	I431-K435 WeakPolarHBondContact O-CG 3.42Å; F432-K435 PolarHBondContact O-N 2.97Å; S433-K435 PolarHBondContact O-N 2.69Å; K435-K439 WeakPolarHBondContact O-CG 3.33Å; K435-K439 PolarHBondContact O-N 2.97Å
436	L	43.4	Very low	46	Very low	117 Å²	117	113.1 Å²	113.1	61%	0.613	56%	0.564	S	S	*	*	H	α-helix	trans	-72.6	-39.1	173.3	-73.5	167.4	0	0	0	111.2	F432 S433 K439 S440	F432-L436 WeakPolarHBondContact O-CG 3.42Å; F432-L436 PolarHBondContact O-N 3.21Å; S433-L436 PolarHBondContact O-N 3.39Å; L436-K439 PolarHBondContact O-N 3.42Å; L436-S440 PolarHBondContact O-N 2.88Å; L436-S440 PolarHBondContact O-OG 2.87Å
437	N	37.2	Very low	43.5	Very low	109 Å²	109	120.3 Å²	120.3	58%	0.583	58%	0.581	S	S	*	*	H	α-helix	trans	-70.6	-27	175.6	-92.4	-20.3	0	0	0	114.3	S433 D434 S440	S433-N437 PolarHBondContact O-N 3.41Å; D434-N437 PolarHBondContact O-N 2.92Å; N437-S440 WeakPolarHBondContact CA-OG 3.49Å; N437-S440 PolarHBondContact O-OG 2.87Å; N437-S440 VanDerWaalsContact O-OG 3.13Å
438	M	43.4	Very low	41	Very low	136 Å²	136	121.8 Å²	121.8	67%	0.67	60%	0.597	S	S	*	*	H	α-helix	trans	-68	-45.6	165.1	-73.3	-164.6	75.3	0	0	111.3	D434 S440 K441 D442	D434-M438 PolarHBondContact O-N 3.33Å; M438-S440 VanDerWaalsContact C-N 3.34Å; M438-S440 PolarHBondContact O-N 2.79Å; M438-K441 PolarHBondContact O-N 3.39Å; M438-D442 PolarHBondContact O-N 3.22Å
439	K	35.6	Very low	39.4	Very low	145 Å²	145	121.4 Å²	121.4	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-69	-25.1	-178.8	-76.4	-175.6	174.8	-172.2	0	114.7	K435 L436 K443	K435-K439 WeakPolarHBondContact O-CG 3.33Å; K435-K439 PolarHBondContact O-N 2.97Å; L436-K439 PolarHBondContact O-N 3.42Å; K439-K443 PolarHBondContact O-N 3.19Å
440	S	42	Very low	38.2	Very low	59 Å²	59	123 Å²	123	41%	0.413	63%	0.626	S	S	.	*	H	α-helix	trans	-74.9	-36.1	173.3	57.1	0	0	0	0	112	L436 N437 M438 K443 L444	L436-S440 PolarHBondContact O-N 2.88Å; L436-S440 PolarHBondContact O-OG 2.87Å; N437-S440 WeakPolarHBondContact CA-OG 3.49Å; N437-S440 PolarHBondContact O-OG 2.87Å; N437-S440 VanDerWaalsContact O-OG 3.13Å; M438-S440 VanDerWaalsContact C-N 3.34Å; M438-S440 PolarHBondContact O-N 2.79Å; S440-K443 PolarHBondContact O-N 3.12Å; S440-L444 PolarHBondContact O-N 3.07Å
441	K	37.8	Very low	37.5	Very low	159 Å²	159	126.8 Å²	126.8	69%	0.691	64%	0.64	S	S	*	*	H	α-helix	trans	-61.6	-41.3	170.8	-76.9	-177	173.6	180	0	112.3	M438 K443 L444 T445	M438-K441 PolarHBondContact O-N 3.39Å; K441-K443 PolarHBondContact O-N 3.34Å; K441-L444 PolarHBondContact O-N 3.18Å; K441-T445 PolarHBondContact O-N 3.19Å; K441-T445 PolarHBondContact O-OG1 3.34Å
442	D	39.3	Very low	36.3	Very low	102 Å²	102	128.9 Å²	128.9	55%	0.545	65%	0.653	S	S	.	*	H	α-helix	trans	-66.5	-17.8	175.7	-73	-21	0	0	0	114.6	M438 T445	M438-D442 PolarHBondContact O-N 3.22Å; D442-T445 PolarHBondContact O-OG1 3.38Å
443	K	36.1	Very low	35.2	Very low	171 Å²	171	130.4 Å²	130.4	74%	0.743	67%	0.666	S	S	*	*	H	α-helix	trans	-92.4	-23.6	175	-80.8	-170.4	172.6	-173.9	0	113.6	K439 S440 K441	K439-K443 PolarHBondContact O-N 3.19Å; S440-K443 PolarHBondContact O-N 3.12Å; K441-K443 PolarHBondContact O-N 3.34Å
444	L	33.7	Very low	34.5	Very low	131 Å²	131	134.8 Å²	134.8	69%	0.686	69%	0.691	S	S	*	*	H	α-helix	trans	-79.1	-30.8	174.2	-166.2	60.5	0	0	0	111.8	S440 K441	S440-L444 PolarHBondContact O-N 3.07Å; K441-L444 PolarHBondContact O-N 3.18Å
445	T	34.3	Very low	33.6	Very low	87 Å²	87	133.2 Å²	133.2	53%	0.534	70%	0.699	S	S	.	*	H	α-helix	trans	-71	-29.9	175.2	50.9	0	0	0	0	113.5	K441 D442 S449	K441-T445 PolarHBondContact O-N 3.19Å; K441-T445 PolarHBondContact O-OG1 3.34Å; D442-T445 PolarHBondContact O-OG1 3.38Å; T445-S449 PolarHBondContact O-OG 3.35Å
446	K	32	Very low	32.8	Very low	184 Å²	184	136.5 Å²	136.5	80%	0.8	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-4.4	-177.5	-77.6	-169.6	174.7	-174.6	0	116.4
447	R	30.8	Very low	31.7	Very low	219 Å²	219	135.8 Å²	135.8	83%	0.826	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-21	175.8	-109.7	178.6	178.9	158.4	-1	114.6
448	N	30.4	Very low	31	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	73%	0.73	S	S	*	*	S	Bend	trans	-114.1	25.9	-173.5	-65.1	17.6	0	0	0	113.2
449	S	28.2	Very low	30	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	74%	0.74	S	S	*	*	S	Bend	trans	-113.4	22.1	178.2	-57.3	0	0	0	0	113.5	T445	T445-S449 PolarHBondContact O-OG 3.35Å
450	A	28.6	Very low	29.3	Very low	96 Å²	96	144 Å²	144	79%	0.793	74%	0.744	S	S	*	*	S	Bend	trans	-118.8	18.4	179.1	0	0	0	0	0	113.6
451	E	29.9	Very low	28.6	Very low	178 Å²	178	148.5 Å²	148.5	83%	0.832	76%	0.764	S	S	*	*	S	Bend	trans	-131.4	102.3	170.7	-69.5	-168.6	155.2	0	0	111.6
452	N	25.4	Very low	27.9	Very low	143 Å²	143	148.6 Å²	148.6	77%	0.765	77%	0.771	S	S	*	*			trans	28.3	102.3	152.4	-64.8	-46.6	0	0	0	121	T454	N452-T454 PolarHBondContact O-N 2.85Å
453	L	25.1	Very low	27.5	Very low	167 Å²	167	149.4 Å²	149.4	87%	0.874	78%	0.782	S	S	*	*				22.4	91.2	108.8	-67.4	165.3	0	0	0	117.1
454	T	27.3	Very low	26.8	Very low	145 Å²	145	152 Å²	152	89%	0.89	79%	0.787	S	S	*	*			trans	-158.3	143	139.9	38.4	0	0	0	0	112	N452	N452-T454 PolarHBondContact O-N 2.85Å
455	G	24.3	Very low	26.2	Very low	68 Å²	68	150.9 Å²	150.9	70%	0.701	79%	0.79	S	S	*	*			trans	79.8	91.8	137.7	0	0	0	0	0	121.4
456	K	23.2	Very low	25.8	Very low	204 Å²	204	153.9 Å²	153.9	89%	0.887	81%	0.808	S	S	*	*				57.9	109.6	128.8	-64.2	174.1	179	173.8	0	120.9
457	S	21.9	Very low	25.2	Very low	102 Å²	102	149.6 Å²	149.6	71%	0.713	80%	0.801	S	S	*	*				76.3	127.3	117	-140.1	0	0	0	0	122.5
458	K	21.7	Very low	24.7	Very low	195 Å²	195	146.9 Å²	146.9	85%	0.848	80%	0.802	S	S	*	*			trans	72.2	118.4	139.7	-83.7	176.4	-179.8	178.6	0	121.7
459	R	21.8	Very low	24.3	Very low	233 Å²	233	145.8 Å²	145.8	88%	0.879	81%	0.806	S	S	*	*				104.8	132	124.8	-150.2	175.3	-164.6	172.2	2.6	118.8
460	N	21	Very low	24	Very low	133 Å²	133	145.7 Å²	145.7	71%	0.711	81%	0.805	S	S	*	*			trans	-29.4	142.7	171.1	-41.6	-8.3	0	0	0	117.2
461	N	27.3	Very low	23.8	Very low	155 Å²	155	149 Å²	149	83%	0.829	81%	0.809	S	S	*	*				-179.7	155.2	108.6	-90.7	-15.6	0	0	0	113.6
462	L	23.9	Very low	23.2	Very low	161 Å²	161	151 Å²	151	84%	0.843	81%	0.81	S	S	*	*			trans	-68.2	157.4	159.8	-75.5	77.2	0	0	0	109.7
463	P	30.2	Very low	23.1	Very low	119 Å²	119	152.1 Å²	152.1	77%	0.773	81%	0.814	S	S	*	*				-150.3	154.1	97.5	37.6	-20.1	0	0	0	117.8
464	R	22	Very low	22.9	Very low	226 Å²	226	152.2 Å²	152.2	85%	0.853	81%	0.809	S	S	*	*			trans	25.4	124.9	140.4	-74.5	179.1	172.5	164.2	-3.1	122
465	S	20.7	Very low	22.7	Very low	107 Å²	107	150.1 Å²	150.1	75%	0.748	80%	0.801	S	S	*	*				14.4	124.6	126.2	61.2	0	0	0	0	119.5
466	V	25.8	Very low	22.5	Very low	149 Å²	149	155.3 Å²	155.3	90%	0.903	81%	0.807	S	S	*	*			trans	-138.4	151	145.1	-127.9	0	0	0	0	110.4
467	S	20.2	Very low	22.3	Very low	95 Å²	95	150.2 Å²	150.2	66%	0.664	80%	0.797	S	S	*	*			trans	-96.9	162.7	-169.5	50	0	0	0	0	113.8
468	L	20.1	Very low	22.3	Very low	161 Å²	161	157 Å²	157	84%	0.843	81%	0.807	S	S	*	*			trans	40.4	114.3	142.8	-66.6	163.8	0	0	0	118.5
469	S	22.5	Very low	22.2	Very low	117 Å²	117	153.1 Å²	153.1	82%	0.818	80%	0.804	S	S	*	*				-171.3	146.9	111.5	35.1	0	0	0	0	112.5
470	S	22	Very low	22.2	Very low	105 Å²	105	147.1 Å²	147.1	73%	0.734	80%	0.798	S	S	*	*			trans	-68.3	141.6	166.6	48.2	0	0	0	0	111.5
471	N	23.9	Very low	22.2	Very low	165 Å²	165	145.7 Å²	145.7	88%	0.882	80%	0.798	S	S	*	*			trans	-146.2	133.1	149.6	-101.9	-32.6	0	0	0	111.7
472	W	17.3	Very low	22.1	Very low	222 Å²	222	144.8 Å²	144.8	84%	0.841	80%	0.798	S	S	*	*			trans	-73.8	139.3	171.3	-76.7	54	0	0	0	110.4
473	I	23.8	Very low	21.8	Very low	166 Å²	166	144.6 Å²	144.6	85%	0.851	80%	0.797	S	S	*	*			trans	-137.6	134.7	141.9	-66.8	-169.6	0	0	0	109.3
474	Q	19.1	Very low	21.4	Very low	168 Å²	168	144.6 Å²	144.6	79%	0.785	80%	0.799	S	S	*	*			trans	-113	122.8	-179.5	177.6	-174.7	12.6	0	0	108.2
475	S	23.8	Very low	21.2	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	80%	0.799	S	S	*	*			trans	-156.7	103.2	166.7	58.3	0	0	0	0	108.7
476	Q	20.7	Very low	21	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	80%	0.801	S	S	*	*				75.3	103.5	87.9	-78.9	-160.7	11.4	0	0	114.8
477	S	19.3	Very low	20.7	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	80%	0.796	S	S	*	*			trans	43.3	119.8	134.4	63.1	0	0	0	0	120.3
478	R	22	Very low	20.7	Very low	245 Å²	245	143.3 Å²	143.3	93%	0.925	80%	0.8	S	S	*	*				-161.6	122.1	118.4	-110.7	168	-177.4	-168.6	-0.4	111.9
479	S	18.9	Very low	20.7	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	80%	0.796	S	S	*	*			trans	-61.4	145.8	153.9	-58.6	0	0	0	0	109.7
480	S	21.2	Very low	20.7	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	79%	0.789	S	S	*	*				170.6	113.5	129.1	-86.7	0	0	0	0	111.2
481	S	21.7	Very low	20.6	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	79%	0.792	S	S	*	*			trans	10.1	120.7	147.6	57.5	0	0	0	0	119.5
482	V	25.2	Very low	20.7	Very low	137 Å²	137	140.4 Å²	140.4	83%	0.83	79%	0.789	S	S	*	*			trans	-126.1	109.2	143.9	177.5	0	0	0	0	108.6
483	L	18.1	Very low	20.9	Very low	156 Å²	156	135.9 Å²	135.9	82%	0.817	79%	0.786	S	S	*	*			trans	-76.3	132.6	165.1	-81.4	81.7	0	0	0	109.7
484	C	21.1	Very low	20.8	Very low	120 Å²	120	133.9 Å²	133.9	81%	0.811	78%	0.782	S	S	*	*			trans	-154.8	89.8	151.8	-95.3	0	0	0	0	107.1
485	K	18	Very low	21.6	Very low	197 Å²	197	131.8 Å²	131.8	86%	0.857	78%	0.783	S	S	*	*				70.3	94.8	79.8	-156.2	178.1	-167.5	-179.6	0	113.7
486	V	16.7	Very low	21.4	Very low	129 Å²	129	130.1 Å²	130.1	78%	0.782	78%	0.782	S	S	*	*			trans	14.7	124.6	138.5	-174.8	0	0	0	0	117.1
487	S	19.3	Very low	21.4	Very low	115 Å²	115	132.4 Å²	132.4	80%	0.804	79%	0.785	S	S	*	*				-174.2	143.9	118.3	-77.7	0	0	0	0	113.5
488	S	19.2	Very low	21.3	Very low	108 Å²	108	134 Å²	134	76%	0.755	79%	0.79	S	S	*	*			trans	-72.5	150.4	170.4	49.8	0	0	0	0	113.3
489	S	20.7	Very low	21.3	Very low	107 Å²	107	128.5 Å²	128.5	75%	0.748	78%	0.784	S	S	*	*				151.3	156.9	110.3	61.9	0	0	0	0	115.5
490	S	22.2	Very low	21.4	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	78%	0.779	S	S	*	*			trans	60.6	111.2	154.7	56.2	0	0	0	0	121.8
491	N	20.7	Very low	21.6	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	79%	0.787	S	S	*	*				34.5	121.3	122.1	-59.4	-12.1	0	0	0	120.2
492	T	24.9	Very low	21.5	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	79%	0.787	S	S	*	*				-164.5	128.3	119	23.3	0	0	0	0	113
493	T	22.1	Very low	21.5	Very low	127 Å²	127	133.5 Å²	133.5	78%	0.779	79%	0.787	S	S	*	*			trans	43.8	130.5	140	-3.9	0	0	0	0	124.2
494	T	22.7	Very low	21.7	Very low	123 Å²	123	132.1 Å²	132.1	76%	0.755	78%	0.779	S	S	*	*			trans	-53.7	179.3	161	51.3	0	0	0	0	116.1
495	P	34.3	Very low	21.8	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	78%	0.775	S	S	*	*			cis	-136.3	176.5	1.8	28.2	-4.8	0	0	0	117.1
496	G	19.6	Very low	22.1	Very low	67 Å²	67	133.5 Å²	133.5	69%	0.691	77%	0.774	S	S	*	*			trans	117.1	103.4	133.6	0	0	0	0	0	119.2
497	Y	22.2	Very low	22.5	Very low	225 Å²	225	135 Å²	135	88%	0.882	78%	0.778	S	S	*	*				-171.4	137.5	109.6	-121.2	-89.4	0	0	0	111.6	T499	Y497-T499 HydrophobicContact CD1-CG2 4.4Å
498	V	17.6	Very low	22.6	Very low	132 Å²	132	132 Å²	132	80%	0.8	76%	0.764	S	S	*	*			trans	-108.6	128.3	169.8	172.8	0	0	0	0	108.2
499	T	21.6	Very low	22.7	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	77%	0.769	S	S	*	*			trans	-138	123.7	156.7	58.8	0	0	0	0	109.9	Y497	Y497-T499 HydrophobicContact CD1-CG2 4.4Å
500	S	19.8	Very low	22.8	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	77%	0.768	S	S	*	*			trans	-78.4	155.4	-177.1	49.2	0	0	0	0	113.1
501	K	25.4	Very low	22.8	Very low	212 Å²	212	140.8 Å²	140.8	92%	0.922	78%	0.776	S	S	*	*			trans	-149.5	102	141.6	-113.7	175.6	-174.1	-178.9	0	109.9
502	L	20.7	Very low	22.9	Very low	137 Å²	137	139.9 Å²	139.9	72%	0.717	77%	0.77	S	S	*	*			trans	-56.7	136.1	171.3	-95.3	53.6	0	0	0	110.9	I504	L502-I504 HydrophobicContact CB-CG1 4.36Å; L502-I504 HydrophobicContact CD2-CD1 3.84Å; L502-I504 HydrophobicContact CD2-CG1 3.86Å; L502-I504 HydrophobicContact CG-CG1 4.13Å
503	S	24.1	Very low	22.8	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	77%	0.773	S	S	*	*			trans	-121.4	100.5	140.5	62.3	0	0	0	0	107.6	Y505	S503-Y505 PolarHBondContact O-N 3.36Å; S503-Y505 VanDerWaalsContact O-N 3.09Å
504	I	22.2	Very low	22.9	Very low	126 Å²	126	139.5 Å²	139.5	65%	0.646	77%	0.765	S	S	*	*			trans	-70.6	103.9	178.5	-61.2	163.5	0	0	0	108.5	L502	L502-I504 HydrophobicContact CB-CG1 4.36Å; L502-I504 HydrophobicContact CD2-CD1 3.84Å; L502-I504 HydrophobicContact CD2-CG1 3.86Å; L502-I504 HydrophobicContact CG-CG1 4.13Å
505	Y	24.8	Very low	23	Very low	189 Å²	189	144 Å²	144	74%	0.741	77%	0.774	S	S	*	*			trans	-150.9	74.7	137	-81.4	-62.5	0	0	0	106.9	S503 L507	S503-Y505 PolarHBondContact O-N 3.36Å; S503-Y505 VanDerWaalsContact O-N 3.09Å; Y505-L507 PolarHBondContact O-N 2.7Å
506	D	23	Very low	22.5	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	77%	0.766	S	S	*	*			trans	-66.2	111.4	165.7	-151.3	-7.8	0	0	0	106.6	G508	D506-G508 PolarHBondContact O-N 3.47Å
507	L	25	Very low	22.5	Very low	162 Å²	162	145.5 Å²	145.5	85%	0.848	77%	0.766	S	S	*	*			trans	-76.7	55.4	174.3	-85.7	99.7	0	0	0	110.1	Y505	Y505-L507 PolarHBondContact O-N 2.7Å
508	G	21.5	Very low	22.6	Very low	51 Å²	51	142.7 Å²	142.7	53%	0.526	76%	0.763	S	S	.	*			trans	-75.7	133	170.4	0	0	0	0	0	111.1	D506	D506-G508 PolarHBondContact O-N 3.47Å
509	N	22.7	Very low	22.8	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	76%	0.758	S	S	*	*			trans	64.3	53.3	161	-60.3	-25	0	0	0	118.1
510	I	22.7	Very low	22.9	Very low	142 Å²	142	140.6 Å²	140.6	73%	0.728	75%	0.749	S	S	*	*			trans	-86.6	107.8	138	-60.1	177.6	0	0	0	106.8	I512	I510-I512 HydrophobicContact CG2-CG1 3.89Å; I510-I512 PolarHBondContact O-N 3.15Å
511	K	20.2	Very low	22.9	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	76%	0.756	S	S	*	*			trans	-68.7	81.2	173.5	-79.3	-177.2	175.1	177.4	0	110.2	N513	K511-N513 PolarHBondContact O-N 3.49Å
512	I	24	Very low	22.9	Very low	132 Å²	132	141.5 Å²	141.5	68%	0.677	75%	0.747	S	S	*	*			trans	-76.6	115	164.1	-57.9	-178.1	0	0	0	107.1	I510 S514	I510-I512 HydrophobicContact CG2-CG1 3.89Å; I510-I512 PolarHBondContact O-N 3.15Å; I512-S514 VanDerWaalsContact C-N 3.29Å; I512-S514 PolarHBondContact O-N 2.94Å
513	N	22.3	Very low	23	Very low	164 Å²	164	140 Å²	140	88%	0.877	75%	0.748	S	S	*	*	S	Bend	trans	-68.4	84.1	173.4	-90.5	-19.3	0	0	0	110.5	K511	K511-N513 PolarHBondContact O-N 3.49Å
514	S	24.3	Very low	23	Very low	88 Å²	88	139 Å²	139	62%	0.615	74%	0.737	S	S	*	*	S	Bend	trans	-169.9	131.1	150.9	35.5	0	0	0	0	110.5	I512 I516	I512-S514 VanDerWaalsContact C-N 3.29Å; I512-S514 PolarHBondContact O-N 2.94Å; S514-I516 VanDerWaalsContact C-N 3.29Å; S514-I516 PolarHBondContact O-N 2.7Å
515	K	24.8	Very low	23.1	Very low	218 Å²	218	136.6 Å²	136.6	95%	0.948	73%	0.731	S	S	*	*			trans	-73.8	74.6	178	-72	176.3	172.8	175.7	0	111.3
516	I	23.2	Very low	23.2	Very low	122 Å²	122	130.9 Å²	130.9	63%	0.626	72%	0.716	S	S	*	*			trans	-135.7	99.4	161.5	-52.4	-178.9	0	0	0	109	S514 M518	S514-I516 VanDerWaalsContact C-N 3.29Å; S514-I516 PolarHBondContact O-N 2.7Å; I516-M518 HydrophobicContact CG2-CE 4.15Å; I516-M518 HydrophobicContact CG2-CG 3.74Å; I516-M518 PolarHBondContact O-N 2.92Å
517	S	21.6	Very low	23.2	Very low	101 Å²	101	129 Å²	129	71%	0.706	71%	0.711	S	S	*	*			trans	-70.3	96.6	165.5	-180	0	0	0	0	108.7	N519	S517-N519 PolarHBondContact O-N 3.49Å
518	M	23.3	Very low	23.2	Very low	166 Å²	166	124.5 Å²	124.5	82%	0.818	69%	0.692	S	S	*	*			trans	-80.9	67.2	171.2	-72.5	-157	167.1	0	0	110.9	I516 S520	I516-M518 HydrophobicContact CG2-CE 4.15Å; I516-M518 HydrophobicContact CG2-CG 3.74Å; I516-M518 PolarHBondContact O-N 2.92Å; M518-S520 PolarHBondContact O-N 3.34Å
519	N	22.3	Very low	23.4	Very low	130 Å²	130	127.6 Å²	127.6	70%	0.695	70%	0.7	S	S	*	*			trans	-59.3	130.2	152.4	-75.3	-14.9	0	0	0	107.5	S517 T521	S517-N519 PolarHBondContact O-N 3.49Å; N519-T521 PolarHBondContact O-N 3.01Å; N519-T521 PolarHBondContact O-OG1 3.4Å
520	S	23.3	Very low	23.5	Very low	85 Å²	85	126.6 Å²	126.6	59%	0.594	70%	0.695	S	S	*	*			trans	-67.6	97.3	178.2	57.4	0	0	0	0	110	M518 W522	M518-S520 PolarHBondContact O-N 3.34Å; S520-W522 PolarHBondContact O-N 3.43Å; S520-W522 PolarHBondContact OG-NE1 2.73Å; S520-W522 VanDerWaalsContact OG-NE1 3.13Å
521	T	20.3	Very low	23.6	Very low	134 Å²	134	128.6 Å²	128.6	82%	0.822	70%	0.701	S	S	*	*			trans	-75.5	94.5	175.8	-41.7	0	0	0	0	109.5	N519	N519-T521 PolarHBondContact O-N 3.01Å; N519-T521 PolarHBondContact O-OG1 3.4Å
522	W	25	Very low	23.8	Very low	195 Å²	195	128.8 Å²	128.8	74%	0.739	71%	0.705	S	S	*	*			trans	-73.1	127.1	171	-56	91.9	0	0	0	109.5	I261 S520	I261-W522 HydrophobicContact CG2-CZ3 4.41Å; S520-W522 PolarHBondContact O-N 3.43Å; S520-W522 PolarHBondContact OG-NE1 2.73Å; S520-W522 VanDerWaalsContact OG-NE1 3.13Å
523	S	22.6	Very low	23.7	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	71%	0.713	S	S	*	*			trans	-113.2	118.6	169.5	50.6	0	0	0	0	110
524	V	25	Very low	23.7	Very low	99 Å²	99	130.7 Å²	130.7	60%	0.6	71%	0.708	S	S	*	*			trans	-89.4	118.7	165.4	178.7	0	0	0	0	106.5	T526	V524-T526 HydrophobicContact CG1-CG2 4.37Å
525	S	23.6	Very low	23.7	Very low	75 Å²	75	133.6 Å²	133.6	52%	0.524	72%	0.716	S	S	.	*			trans	-107.4	109.9	172.3	59	0	0	0	0	109.4
526	T	26.1	Very low	23.6	Very low	69 Å²	69	128.6 Å²	128.6	42%	0.423	70%	0.704	S	S	.	*			trans	-91.2	131.8	167	52.8	0	0	0	0	109.2	L257 V524	L257-T526 HydrophobicContact CD1-CG2 4.21Å; L257-T526 HydrophobicContact CD2-CG2 3.78Å; L257-T526 HydrophobicContact CG-CG2 4.25Å; V524-T526 HydrophobicContact CG1-CG2 4.37Å
527	T	24.8	Very low	23.6	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.724	71%	0.714	S	S	*	*			trans	-111.6	95.6	171.2	37.3	0	0	0	0	109.2	T529	T527-T529 PolarHBondContact O-N 3.1Å
528	C	23.7	Very low	23.6	Very low	67 Å²	67	137 Å²	137	45%	0.453	72%	0.717	S	S	.	*			trans	-74	113.3	169.6	-65.4	0	0	0	0	108.7	E255 N530	E255-C528 VanDerWaalsContact OE2-CA 3.27Å; E255-C528 WeakPolarHBondContact OE2-CA 3.45Å; E255-C528 WeakPolarHBondContact OE2-CB 3.45Å; E255-C528 PolarHBondContact OE2-SG 3.2Å; C528-N530 VanDerWaalsContact C-N 3.25Å; C528-N530 PolarHBondContact O-N 3.08Å; C528-N530 VanDerWaalsContact O-N 3.15Å
529	T	26.4	Very low	23.5	Very low	115 Å²	115	134.9 Å²	134.9	71%	0.706	72%	0.717	S	S	*	*	S	Bend	trans	-88.9	51.5	-177.8	53.1	0	0	0	0	112.3	T527	T527-T529 PolarHBondContact O-N 3.1Å
530	N	24.6	Very low	23.5	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	72%	0.715	S	S	*	*	S	Bend	trans	179.9	75.5	149.5	-94.6	-25.3	0	0	0	112.2	C528	C528-N530 VanDerWaalsContact C-N 3.25Å; C528-N530 PolarHBondContact O-N 3.08Å; C528-N530 VanDerWaalsContact O-N 3.15Å
531	H	24.8	Very low	23.6	Very low	184 Å²	184	137.4 Å²	137.4	85%	0.852	73%	0.725	S	S	*	*			trans	-175.7	148.7	134.2	-96.6	-57.8	0	0	0	110.6	R533	H531-R533 VanDerWaalsContact C-N 3.29Å; H531-R533 PolarHBondContact O-N 3.43Å
532	Q	24.1	Very low	23.6	Very low	200 Å²	200	139.8 Å²	139.8	94%	0.935	73%	0.727	S	S	*	*	S	Bend	trans	-69.6	78.5	173.9	-70.9	178.9	-26.3	0	0	111.7
533	R	21.9	Very low	23.6	Very low	226 Å²	226	135.5 Å²	135.5	85%	0.853	73%	0.726	S	S	*	*			trans	-158	108.1	160	-113.1	163.9	-168.4	-172.5	3	112.4	H531 L535	H531-R533 VanDerWaalsContact C-N 3.29Å; H531-R533 PolarHBondContact O-N 3.43Å; R533-L535 PolarHBondContact O-N 2.69Å; R533-L535 VanDerWaalsContact O-N 3.14Å
534	S	22.7	Very low	23.7	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	73%	0.732	S	S	*	*			trans	-69.2	102.5	170.9	-178.2	0	0	0	0	110.5	V536	S534-V536 PolarHBondContact O-N 2.99Å; S534-V536 WeakPolarHBondContact OG-CG2 3.42Å
535	L	22.9	Very low	23.6	Very low	148 Å²	148	141.5 Å²	141.5	78%	0.775	74%	0.743	S	S	*	*			trans	-88.8	72.4	172.5	-83.7	169.8	0	0	0	111.1	R533 R537	R533-L535 PolarHBondContact O-N 2.69Å; R533-L535 VanDerWaalsContact O-N 3.14Å; L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 3.11Å
536	V	23.6	Very low	23.7	Very low	114 Å²	114	144.1 Å²	144.1	69%	0.691	76%	0.756	S	S	*	*			trans	-73.5	81.8	167	-177	0	0	0	0	109.4	S534 K538	S534-V536 PolarHBondContact O-N 2.99Å; S534-V536 WeakPolarHBondContact OG-CG2 3.42Å; V536-K538 HydrophobicContact CG1-CG 4.45Å; V536-K538 PolarHBondContact O-N 3.33Å
537	R	22.3	Very low	23.6	Very low	221 Å²	221	145.8 Å²	145.8	83%	0.834	77%	0.77	S	S	*	*			trans	-81.2	99.1	161.8	-89.3	-173.7	170.8	166.5	-1.6	109.3	L535 C539	L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 3.11Å; R537-C539 PolarHBondContact O-N 2.74Å; R537-C539 VanDerWaalsContact O-N 3.12Å
538	K	22.3	Very low	23.6	Very low	178 Å²	178	149.2 Å²	149.2	77%	0.774	78%	0.781	S	S	*	*			trans	-62.8	108.7	160.7	-75.3	179	177.6	175.1	0	108	V536 S540	V536-K538 HydrophobicContact CG1-CG 4.45Å; V536-K538 PolarHBondContact O-N 3.33Å; K538-S540 PolarHBondContact O-N 2.66Å
539	C	20.7	Very low	23.7	Very low	122 Å²	122	152.8 Å²	152.8	82%	0.824	79%	0.794	S	S	*	*			trans	-72.5	70.7	161.9	-72.3	0	0	0	0	109.5	R537 H541	R537-C539 PolarHBondContact O-N 2.74Å; R537-C539 VanDerWaalsContact O-N 3.12Å; C539-H541 PolarHBondContact O-N 2.83Å
540	S	23.1	Very low	23.7	Very low	92 Å²	92	152.7 Å²	152.7	64%	0.643	80%	0.795	S	S	*	*			trans	-71	107.6	165.2	45.7	0	0	0	0	108.4	K538 E542	K538-S540 PolarHBondContact O-N 2.66Å; S540-E542 PolarHBondContact O-N 3.15Å; S540-E542 VanDerWaalsContact O-N 3.09Å
541	H	24.1	Very low	23.8	Very low	176 Å²	176	153.9 Å²	153.9	82%	0.815	80%	0.8	S	S	*	*			trans	-60.5	112.3	161.5	-96.2	-74.4	0	0	0	108.2	C539 S543	C539-H541 PolarHBondContact O-N 2.83Å; H541-S543 VanDerWaalsContact C-N 3.3Å; H541-S543 PolarHBondContact O-N 3.43Å
542	E	21.1	Very low	23.9	Very low	183 Å²	183	154.1 Å²	154.1	86%	0.855	80%	0.798	S	S	*	*			trans	-65.3	90.6	170.5	-69.5	-176.5	143.8	0	0	109.6	S540 K544	S540-E542 PolarHBondContact O-N 3.15Å; S540-E542 VanDerWaalsContact O-N 3.09Å; E542-K544 VanDerWaalsContact C-N 3.31Å; E542-K544 PolarHBondContact O-N 3.08Å
543	S	25.4	Very low	24.1	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	80%	0.795	S	S	*	*			trans	-65	98.6	156.8	54.9	0	0	0	0	107.2	H541 T545	H541-S543 VanDerWaalsContact C-N 3.3Å; H541-S543 PolarHBondContact O-N 3.43Å; S543-T545 PolarHBondContact O-N 3.28Å
544	K	23.9	Very low	24.2	Very low	194 Å²	194	149.6 Å²	149.6	84%	0.843	80%	0.797	S	S	*	*			trans	-37.4	110.2	177.9	-69.2	179.7	176.7	-178.9	0	110.5	E542 T546	E542-K544 VanDerWaalsContact C-N 3.31Å; E542-K544 PolarHBondContact O-N 3.08Å; K544-T546 PolarHBondContact O-N 2.75Å
545	T	23.4	Very low	24.6	Very low	137 Å²	137	157.8 Å²	157.8	84%	0.84	82%	0.818	S	S	*	*			trans	-69	98.9	173.5	30.1	0	0	0	0	108.3	S543 S547	S543-T545 PolarHBondContact O-N 3.28Å; T545-S547 PolarHBondContact O-N 3.11Å; T545-S547 VanDerWaalsContact O-N 3.15Å
546	T	25.2	Very low	24.7	Very low	129 Å²	129	158.3 Å²	158.3	79%	0.791	82%	0.82	S	S	*	*			trans	-54.7	121.2	169.7	-34	0	0	0	0	108.1	K544 M548	K544-T546 PolarHBondContact O-N 2.75Å; T546-M548 PolarHBondContact O-N 3.36Å
547	S	23.6	Very low	24.7	Very low	104 Å²	104	160.6 Å²	160.6	73%	0.727	83%	0.827	S	S	*	*			trans	-58	107.3	-177.9	51.6	0	0	0	0	110.9	T545 I549	T545-S547 PolarHBondContact O-N 3.11Å; T545-S547 VanDerWaalsContact O-N 3.15Å; S547-I549 PolarHBondContact O-N 3.3Å
548	M	24.7	Very low	24.9	Very low	191 Å²	191	157.2 Å²	157.2	94%	0.941	83%	0.827	S	S	*	*			trans	-77.2	105.9	166.8	-80.2	-150	151.9	0	0	109.4	T546	T546-M548 PolarHBondContact O-N 3.36Å
549	I	26.8	Very low	25	Very low	141 Å²	141	156 Å²	156	72%	0.723	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-61.4	132.8	172.1	-62.2	168.5	0	0	0	108.2	S547 I551	S547-I549 PolarHBondContact O-N 3.3Å; I549-I551 PolarHBondContact O-N 3.05Å
550	P	25.8	Very low	25.3	Very low	113 Å²	113	158.1 Å²	158.1	73%	0.734	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-67.6	121	-179.1	26.6	-33.8	0	0	0	110.9	K552	P550-K552 PolarHBondContact O-N 2.85Å
551	I	27.4	Very low	25.4	Very low	164 Å²	164	162.5 Å²	162.5	84%	0.841	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-72.4	117.7	172.6	-63.2	175.4	0	0	0	108.1	I549 T553	I549-I551 PolarHBondContact O-N 3.05Å; I551-T553 PolarHBondContact O-N 3.2Å
552	K	26.4	Very low	25.5	Very low	188 Å²	188	161.6 Å²	161.6	82%	0.817	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-61.1	128.1	174	-69.4	179.3	175.6	-179.6	0	110.2	P550 Q554	P550-K552 PolarHBondContact O-N 2.85Å; K552-Q554 PolarHBondContact O-N 3.37Å
553	T	28.8	Very low	25.9	Very low	140 Å²	140	159.9 Å²	159.9	86%	0.859	84%	0.844	S	S	*	*			trans	-72	107.5	162.7	44	0	0	0	0	109.4	I551 K555	I551-T553 PolarHBondContact O-N 3.2Å; T553-K555 PolarHBondContact O-N 3Å
554	Q	24.7	Very low	25.9	Very low	192 Å²	192	164.5 Å²	164.5	90%	0.897	85%	0.853	S	S	*	*			trans	-86.1	100.3	165.4	-88.2	-175.9	-45.3	0	0	110.2	K552	K552-Q554 PolarHBondContact O-N 3.37Å
555	K	29.9	Very low	26.1	Very low	281 Å²	281	161.8 Å²	161.8	100%	1.222	85%	0.854	S	S	*	*				-159.8	0	127.4	-110.9	-174.6	178.8	-173.8	0	109.1	T553	T553-K555 PolarHBondContact O-N 3Å

Retrieved 555 of 555 residues in 525.8 ms (Link to these results)

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