X5DP03_HUMAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession X5DP03, Species HUMAN (Homo sapiens, Human), Gene STK39, Length 523 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	36.2	Very low	35.7	Very low	251 Å²	251	138.9 Å²	138.9	100%	1.236	85%	0.849	S	S	*	*				0	137.6	0	-92.5	173.2	160	0	0	107.8
2	A	35.2	Very low	35.2	Very low	96 Å²	96	142.1 Å²	142.1	79%	0.793	85%	0.847	S	S	*	*			trans	-65.4	152	-173.3	0	0	0	0	0	114
3	E	37.9	Very low	34.7	Very low	180 Å²	180	143.9 Å²	143.9	84%	0.841	85%	0.849	S	S	*	*			trans	26.7	147.4	137.3	-78.3	-156.1	-176.7	0	0	121.1
4	P	48.2	Very low	34.6	Very low	114 Å²	114	142.5 Å²	142.5	74%	0.74	85%	0.846	S	S	*	*				-150.4	-173.6	67.3	40.9	-18.9	0	0	0	112.6
5	S	32.5	Very low	34.6	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	85%	0.85	S	S	*	*			cis	-174.9	151.2	8.1	29.8	0	0	0	0	106
6	G	31.6	Very low	34.4	Very low	79 Å²	79	149.4 Å²	149.4	81%	0.814	86%	0.856	S	S	*	*			trans	141.6	102	150.2	0	0	0	0	0	116.4
7	S	29.8	Very low	34.4	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	85%	0.853	S	S	*	*			trans	-116	178.6	156.3	-19.5	0	0	0	0	107.6
8	P	45.2	Very low	34.7	Very low	117 Å²	117	142.9 Å²	142.9	76%	0.76	84%	0.844	S	S	*	*			cis	-137.5	160.9	-25.6	34.3	-16.7	0	0	0	112.7
9	V	33.1	Very low	34.7	Very low	150 Å²	150	142 Å²	142	91%	0.909	84%	0.842	S	S	*	*			trans	-143.4	127.6	156.3	-170.6	0	0	0	0	111.5
10	H	32.5	Very low	34.8	Very low	175 Å²	175	141.8 Å²	141.8	81%	0.81	84%	0.842	S	S	*	*			trans	-82.6	143.2	-175.8	-119.6	-41.2	0	0	0	112.8
11	V	30	Very low	34.8	Very low	134 Å²	134	141.2 Å²	141.2	81%	0.812	84%	0.84	S	S	*	*			trans	-143.7	138.4	140.4	-173.1	0	0	0	0	110.7
12	Q	30	Very low	34.9	Very low	177 Å²	177	133.9 Å²	133.9	83%	0.827	82%	0.819	S	S	*	*			trans	-46.5	144.4	-166.4	-89.5	128.6	-46.1	0	0	120.6
13	L	29.1	Very low	35	Very low	166 Å²	166	134.1 Å²	134.1	87%	0.869	82%	0.821	S	S	*	*			trans	-109.1	145.8	154.8	-89	149.4	0	0	0	110.1
14	P	33.3	Very low	34.9	Very low	124 Å²	124	130.3 Å²	130.3	81%	0.805	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.9	159.5	-176	-10.2	26.8	0	0	0	114.2
15	Q	34.8	Very low	34.5	Very low	196 Å²	196	129.4 Å²	129.4	92%	0.916	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-59.2	149.4	-174	-74.6	165.5	-26.4	0	0	115.7
16	Q	31.2	Very low	34.8	Very low	200 Å²	200	128.2 Å²	128.2	94%	0.935	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-54.9	129.6	174.5	-73.5	168	-25	0	0	113.1
17	A	34.3	Very low	35.1	Very low	99 Å²	99	130.3 Å²	130.3	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-90.9	138	157.7	0	0	0	0	0	109.5
18	A	39.3	Very low	35.7	Very low	82 Å²	82	129.5 Å²	129.5	68%	0.678	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-57.9	154.4	-179.7	0	0	0	0	0	113.1	V20	A18-V20 PolarHBondContact O-N 3.25Å
19	P	34.5	Very low	35.8	Very low	126 Å²	126	128.4 Å²	128.4	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.2	-177.5	28.2	-31.5	0	0	0	110.1	T21	P19-T21 PolarHBondContact O-N 3.28Å
20	V	37.1	Very low	36.4	Very low	138 Å²	138	129.7 Å²	129.7	84%	0.836	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65	118.7	167	-170.2	0	0	0	0	106.9	A18 A22	A18-V20 PolarHBondContact O-N 3.25Å; V20-A22 PolarHBondContact O-N 3.43Å; V20-A22 VanDerWaalsContact O-N 3.16Å
21	T	35.7	Very low	37.7	Very low	130 Å²	130	126.2 Å²	126.2	80%	0.798	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-51.1	117.6	175	44.4	0	0	0	0	110.1	P19 A23	P19-T21 PolarHBondContact O-N 3.28Å; T21-A23 PolarHBondContact O-N 2.94Å
22	A	37.1	Very low	40	Very low	97 Å²	97	123.3 Å²	123.3	80%	0.802	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.5	118.4	172	0	0	0	0	0	109	V20 A24	V20-A22 PolarHBondContact O-N 3.43Å; V20-A22 VanDerWaalsContact O-N 3.16Å; A22-A24 PolarHBondContact O-N 3.07Å; A22-A24 VanDerWaalsContact O-N 3.17Å
23	A	37.3	Very low	42.8	Very low	100 Å²	100	117.5 Å²	117.5	83%	0.826	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-56.7	120.8	168.5	0	0	0	0	0	108	T21 A25	T21-A23 PolarHBondContact O-N 2.94Å; A23-A25 PolarHBondContact O-N 3.16Å; A23-A25 VanDerWaalsContact O-N 3.14Å
24	A	36	Very low	46	Very low	101 Å²	101	112 Å²	112	84%	0.835	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-54.8	119.9	178.1	0	0	0	0	0	109.3	A22 A26	A22-A24 PolarHBondContact O-N 3.07Å; A22-A24 VanDerWaalsContact O-N 3.17Å; A24-A26 PolarHBondContact O-N 3.23Å
25	A	40.8	Very low	48.9	Very low	95 Å²	95	107.1 Å²	107.1	79%	0.785	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-56.6	129.4	168.4	0	0	0	0	0	108.3	A23	A23-A25 PolarHBondContact O-N 3.16Å; A23-A25 VanDerWaalsContact O-N 3.14Å
26	A	37.7	Very low	51.8	Low	88 Å²	88	103.4 Å²	103.4	73%	0.727	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-52.6	137.1	174.4	0	0	0	0	0	109.4	A24 A28	A24-A26 PolarHBondContact O-N 3.23Å; A26-A28 PolarHBondContact O-N 3.29Å
27	P	37.7	Very low	54.8	Low	124 Å²	124	97.2 Å²	97.2	81%	0.805	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-60.2	129.3	-179.9	24.1	-30.9	0	0	0	109	A29	P27-A29 PolarHBondContact O-N 3.2Å
28	A	43.4	Very low	57.7	Low	100 Å²	100	96.6 Å²	96.6	83%	0.826	66%	0.663	S	S	*	*			trans	-54.5	114.9	171.5	0	0	0	0	0	108.2	A26 Q30	A26-A28 PolarHBondContact O-N 3.29Å; A28-Q30 PolarHBondContact O-N 3.42Å; A28-Q30 VanDerWaalsContact O-N 3.17Å
29	A	46.8	Very low	60.4	Low	95 Å²	95	97.2 Å²	97.2	79%	0.785	66%	0.655	S	S	*	*			trans	-53.1	123.4	-179.6	0	0	0	0	0	109.2	P27 A31	P27-A29 PolarHBondContact O-N 3.2Å; A29-A31 PolarHBondContact O-N 2.99Å
30	Q	45.9	Very low	63.3	Low	177 Å²	177	91.6 Å²	91.6	83%	0.827	62%	0.619	S	S	*	*			trans	-49.1	135.5	162.8	-79.6	174.7	-9.9	0	0	107.5	A28 V32	A28-Q30 PolarHBondContact O-N 3.42Å; A28-Q30 VanDerWaalsContact O-N 3.17Å; Q30-V32 WeakPolarHBondContact O-CG2 3.26Å; Q30-V32 PolarHBondContact O-N 2.97Å
31	A	59.8	Low	66.2	Low	101 Å²	101	85.1 Å²	85.1	84%	0.835	58%	0.58	S	S	*	*			trans	-66	84.4	-178.3	0	0	0	0	0	109.9	A29 G33	A29-A31 PolarHBondContact O-N 2.99Å; A31-G33 PolarHBondContact O-N 3.12Å
32	V	79	Confident	69.1	Low	73 Å²	73	83.7 Å²	83.7	44%	0.442	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-62.1	119.7	173.6	-174.7	0	0	0	0	106.6	Q30 P62 R63	Q30-V32 WeakPolarHBondContact O-CG2 3.26Å; Q30-V32 PolarHBondContact O-N 2.97Å; V32-P62 HydrophobicContact CG1-CB 4.13Å; V32-R63 HydrophobicContact CB-CG 4.43Å; V32-R63 PolarHBondContact O-NE 3.14Å
33	G	88.9	Confident	71.8	Confident	55 Å²	55	81.1 Å²	81.1	57%	0.567	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-59.4	164.5	174.1	0	0	0	0	0	111.6	A31 P35	A31-G33 PolarHBondContact O-N 3.12Å; G33-P35 WeakPolarHBondContact O-CD 3.39Å
34	W	94.6	Very high	74.5	Confident	52 Å²	52	79.2 Å²	79.2	20%	0.197	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-71.6	119.8	177.8	-69.2	103.4	0	0	0	110.7	C60 E65 V67 Y103 T104	W34-C60 HydrophobicContact CZ3-CB 4.19Å; W34-E65 HydrophobicContact CH2-CG 4.47Å; W34-V67 HydrophobicContact CH2-CG1 3.78Å; W34-V67 HydrophobicContact CZ3-CG1 3.55Å; W34-Y103 HydrophobicContact CD2-CD1 4.44Å; W34-Y103 HydrophobicContact CD2-CD2 4.11Å; W34-Y103 AromaticContact CD2-CG 3.83Å; W34-Y103 HydrophobicContact CD2-CG 3.83Å; W34-Y103 AromaticContact CE2-CD1 3.49Å; W34-Y103 VanDerWaalsContact CE2-CD1 3.49Å; W34-Y103 AromaticContact CE2-CD2 3.65Å; W34-Y103 AromaticContact CE2-CE1 3.99Å; W34-Y103 AromaticContact CE2-CG 3.29Å; W34-Y103 HydrophobicContact CE3-CD2 4.13Å; W34-Y103 HydrophobicContact CE3-CG 4.31Å; W34-Y103 HydrophobicContact CG-CG 4.41Å; W34-Y103 HydrophobicContact CH2-CD1 4.34Å; W34-Y103 AromaticContact CH2-CD2 3.25Å; W34-Y103 HydrophobicContact CH2-CD2 3.25Å; W34-Y103 HydrophobicContact CH2-CE1 4.3Å; W34-Y103 AromaticContact CH2-CE2 3.18Å; W34-Y103 HydrophobicContact CH2-CE2 3.18Å; W34-Y103 AromaticContact CH2-CG 3.85Å; W34-Y103 HydrophobicContact CH2-CG 3.85Å; W34-Y103 AromaticContact CH2-CZ 3.73Å; W34-Y103 AromaticContact CZ2-CD1 3.44Å; W34-Y103 HydrophobicContact CZ2-CD1 3.44Å; W34-Y103 VanDerWaalsContact CZ2-CD1 3.44Å; W34-Y103 AromaticContact CZ2-CD2 3.21Å; W34-Y103 HydrophobicContact CZ2-CD2 3.21Å; W34-Y103 AromaticContact CZ2-CE1 3.47Å; W34-Y103 HydrophobicContact CZ2-CE1 3.47Å; W34-Y103 VanDerWaalsContact CZ2-CE1 3.47Å; W34-Y103 AromaticContact CZ2-CE2 3.22Å; W34-Y103 HydrophobicContact CZ2-CE2 3.22Å; W34-Y103 AromaticContact CZ2-CG 3.3Å; W34-Y103 HydrophobicContact CZ2-CG 3.3Å; W34-Y103 AromaticContact CZ2-CZ 3.33Å; W34-Y103 AromaticContact CZ3-CD2 3.74Å; W34-Y103 HydrophobicContact CZ3-CD2 3.74Å; W34-Y103 HydrophobicContact CZ3-CE2 4.06Å; W34-Y103 HydrophobicContact CZ3-CG 4.32Å; W34-Y103 AromaticContact NE1-CD1 3.47Å; W34-Y103 AromaticContact NE1-CG 3.61Å; W34-T104 HydrophobicContact CB-CG2 3.73Å
35	P	95.6	Very high	76.9	Confident	21 Å²	21	76.9 Å²	76.9	14%	0.136	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-66.7	150	-176.8	25.2	-31.1	0	0	0	111.6	G33 A40 Y41 P62	G33-P35 WeakPolarHBondContact O-CD 3.39Å; P35-A40 HydrophobicContact CB-CB 3.59Å; P35-A40 HydrophobicContact CG-CB 3.58Å; P35-Y41 HydrophobicContact CB-CE2 4.36Å; P35-Y41 WeakPolarHBondContact CD-OH 3.44Å; P35-Y41 HydrophobicContact CG-CE2 3.78Å; P35-Y41 VanDerWaalsContact O-CE2 3.28Å; P35-Y41 WeakPolarHBondContact O-CE2 3.42Å; P35-Y41 PolarHBondContact O-OH 3.49Å; P35-P62 HydrophobicContact CG-CG 4.22Å
36	I	95.7	Very high	79.1	Confident	117 Å²	117	73.8 Å²	73.8	60%	0.6	45%	0.454	S	S	*	.			trans	-112.6	17.7	179.9	57.2	170.1	0	0	0	112.7	T104 F106	I36-T104 WeakPolarHBondContact CG2-OG1 3.42Å; I36-F106 HydrophobicContact CB-CB 4.17Å; I36-F106 HydrophobicContact CB-CD1 4.28Å; I36-F106 HydrophobicContact CB-CG 4.39Å; I36-F106 HydrophobicContact CG2-CD1 4.49Å; I36-F106 WeakPolarHBondContact O-CD2 3.4Å; I36-F106 WeakPolarHBondContact O-CG 3.26Å
37	C	93.6	Very high	81.3	Confident	70 Å²	70	71.8 Å²	71.8	47%	0.473	43%	0.43	S	S	.	.	S	Bend	trans	-112.4	136.3	179	55	0	0	0	0	110.6	D39 A40 Y41	C37-D39 VanDerWaalsContact C-N 3.26Å; C37-D39 PolarHBondContact O-N 3.16Å; C37-A40 WeakPolarHBondContact O-CB 3.36Å; C37-A40 PolarHBondContact O-N 2.86Å; C37-A40 VanDerWaalsContact O-N 3.14Å; C37-A40 VanDerWaalsContact SG-CB 3.58Å; C37-Y41 WeakPolarHBondContact O-CD2 3.21Å
38	R	95.6	Very high	83	Confident	86 Å²	86	67 Å²	67	33%	0.325	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-53.1	-43.7	178.4	169	55.7	-171.8	85.1	-8.1	112.1	A40 Y41 V108	R38-A40 PolarHBondContact O-N 3.16Å; R38-A40 VanDerWaalsContact O-N 3.08Å; R38-Y41 PolarHBondContact NH1-O 2.73Å; R38-Y41 PolarHBondContact O-N 3.46Å; R38-V108 HydrophobicContact CB-CG1 4.16Å; R38-V108 HydrophobicContact CB-CG2 4.05Å; R38-V108 HydrophobicContact CG-CG1 4.17Å
39	D	95.3	Very high	84.4	Confident	96 Å²	96	64.7 Å²	64.7	51%	0.513	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63.4	-16.7	-175.2	-67.4	-1.8	0	0	0	113.5	C37 Y41 K61 R384	C37-D39 VanDerWaalsContact C-N 3.26Å; C37-D39 PolarHBondContact O-N 3.16Å; D39-Y41 VanDerWaalsContact C-N 3.33Å; D39-K61 WeakPolarHBondContact O-CE 3.19Å; D39-K61 PolarHBondContact O-NZ 2.89Å; D39-R384 IonicContact OD2-NH1 3.49Å; D39-R384 PolarHBondContact OD2-NH1 2.95Å
40	A	96.5	Very high	85.2	Confident	8 Å²	8	62.3 Å²	62.3	7%	0.066	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-79.7	-14.2	176.2	0	0	0	0	0	113.9	P35 C37 R38 K61 P62	P35-A40 HydrophobicContact CB-CB 3.59Å; P35-A40 HydrophobicContact CG-CB 3.58Å; C37-A40 WeakPolarHBondContact O-CB 3.36Å; C37-A40 PolarHBondContact O-N 2.86Å; C37-A40 VanDerWaalsContact O-N 3.14Å; C37-A40 VanDerWaalsContact SG-CB 3.58Å; R38-A40 PolarHBondContact O-N 3.16Å; R38-A40 VanDerWaalsContact O-N 3.08Å; A40-K61 PolarHBondContact O-N 3.39Å; A40-P62 HydrophobicContact CB-CG 4.09Å; A40-P62 WeakPolarHBondContact O-CD 3.21Å
41	Y	97.2	Very high	85.8	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130	-179.2	-64.7	-87.1	0	0	0	110.2	P35 C37 R38 D39 L59 C60 V67 I69 F106 V115	P35-Y41 HydrophobicContact CB-CE2 4.36Å; P35-Y41 WeakPolarHBondContact CD-OH 3.44Å; P35-Y41 HydrophobicContact CG-CE2 3.78Å; P35-Y41 VanDerWaalsContact O-CE2 3.28Å; P35-Y41 WeakPolarHBondContact O-CE2 3.42Å; P35-Y41 PolarHBondContact O-OH 3.49Å; C37-Y41 WeakPolarHBondContact O-CD2 3.21Å; R38-Y41 PolarHBondContact NH1-O 2.73Å; R38-Y41 PolarHBondContact O-N 3.46Å; D39-Y41 VanDerWaalsContact C-N 3.33Å; Y41-L59 CarbonylContact C-O 3.44Å; Y41-L59 WeakPolarHBondContact CA-O 3.46Å; Y41-C60 HydrophobicContact CD1-CB 3.97Å; Y41-C60 HydrophobicContact CE1-CB 3.74Å; Y41-V67 HydrophobicContact CD1-CG2 4.04Å; Y41-V67 HydrophobicContact CE1-CG2 4.08Å; Y41-I69 HydrophobicContact CD1-CD1 3.83Å; Y41-I69 HydrophobicContact CG-CD1 3.91Å; Y41-F106 HydrophobicContact CD2-CE1 4.12Å; Y41-F106 AromaticContact CD2-CZ 3.7Å; Y41-F106 HydrophobicContact CD2-CZ 3.7Å; Y41-F106 AromaticContact CE2-CE1 3.58Å; Y41-F106 HydrophobicContact CE2-CE1 3.58Å; Y41-F106 AromaticContact CE2-CZ 3.66Å; Y41-F106 HydrophobicContact CE2-CZ 3.66Å; Y41-V115 HydrophobicContact CE1-CG1 3.78Å; Y41-V115 HydrophobicContact CE1-CG2 4.14Å; Y41-V115 HydrophobicContact CE2-CG2 4.44Å
42	E	96.6	Very high	86.1	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.472	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.2	171.6	-175.8	-176	148.9	0	0	108.3	A58 L59	E42-A58 CarbonylContact O-C 3.59Å; E42-A58 WeakPolarHBondContact O-CA 3.42Å; E42-A58 WeakPolarHBondContact O-CB 3.41Å; E42-L59 HydrophobicContact CB-CB 4.28Å; E42-L59 PolarHBondContact N-O 3.21Å; E42-L59 PolarHBondContact O-N 3.18Å
43	L	94.5	Very high	86	Confident	43 Å²	43	52.6 Å²	52.6	23%	0.225	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.9	-179.9	-71.8	-177.1	0	0	0	110.7	Q56 A58 I69 W113	L43-Q56 HydrophobicContact CD2-CG 4.36Å; L43-A58 HydrophobicContact CD2-CB 4.12Å; L43-I69 HydrophobicContact CD2-CD1 4.11Å; L43-W113 HydrophobicContact CD1-CH2 3.65Å; L43-W113 HydrophobicContact CD1-CZ2 4.12Å; L43-W113 HydrophobicContact CD2-CH2 3.64Å; L43-W113 HydrophobicContact CD2-CZ3 3.94Å; L43-W113 HydrophobicContact CG-CH2 3.8Å; L43-W113 HydrophobicContact CG-CZ3 4.42Å
44	Q	92.6	Very high	85.9	Confident	59 Å²	59	51.8 Å²	51.8	28%	0.276	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-143.3	-178.4	-55.7	-174.4	-43.2	0	0	110.3	Q56 A57 R66	Q44-Q56 WeakPolarHBondContact O-CG 3.26Å; Q44-Q56 PolarHBondContact O-NE2 2.91Å; Q44-A57 WeakPolarHBondContact CA-O 3.47Å; Q44-A57 HydrophobicContact CB-CB 4.05Å; Q44-A57 PolarHBondContact N-O 3.47Å; Q44-R66 VanDerWaalsContact OE1-NH2 3.1Å
45	E	86.6	Confident	85.7	Confident	53 Å²	53	51 Å²	51	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.4	-176.1	71	-80.5	-167.8	0	0	113.6	I47 Q56 A57 R66 A339	E45-I47 PolarHBondContact O-N 3.26Å; E45-Q56 WeakPolarHBondContact O-CG 3.4Å; E45-A57 HydrophobicContact CG-CB 4.17Å; E45-A57 PolarHBondContact O-N 2.94Å; E45-R66 IonicContact OE1-CZ 2.69Å; E45-R66 IonicContact OE1-NH2 3.54Å; E45-R66 PolarHBondContact OE1-NH2 3.14Å; E45-R66 IonicContact OE2-NH2 2.72Å; E45-R66 PolarHBondContact OE2-NH2 2.83Å; E45-A339 HydrophobicContact CB-CB 4.13Å; E45-A339 HydrophobicContact CG-CB 3.99Å
46	V	86.8	Confident	85.5	Confident	29 Å²	29	50.1 Å²	50.1	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.8	170.2	177.8	0	0	0	0	108.8	V54 Q56	V46-V54 HydrophobicContact CG1-CG1 3.83Å; V46-V54 HydrophobicContact CG2-CG1 4.41Å; V46-Q56 HydrophobicContact CG2-CG 4.18Å
47	I	83.6	Confident	85.4	Confident	46 Å²	46	44.6 Å²	44.6	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-38.4	-179	-59.1	166.1	0	0	0	110	E45 V55 A57 A68 L118 I335	E45-I47 PolarHBondContact O-N 3.26Å; I47-V55 HydrophobicContact CB-CG1 4.34Å; I47-V55 HydrophobicContact CD1-CG1 4.36Å; I47-V55 PolarHBondContact N-O 3.17Å; I47-A57 HydrophobicContact CD1-CB 3.98Å; I47-A57 HydrophobicContact CG1-CB 4.29Å; I47-A68 HydrophobicContact CD1-CB 4.49Å; I47-L118 HydrophobicContact CD1-CD1 3.46Å; I47-L118 VanDerWaalsContact CD1-CD1 3.46Å; I47-I335 HydrophobicContact CD1-CD1 4.04Å; I47-I335 HydrophobicContact CG1-CD1 4.01Å; I47-I335 HydrophobicContact CG1-CG1 4.47Å; I47-I335 HydrophobicContact CG2-CD1 3.82Å; I47-I335 HydrophobicContact CG2-CG1 4.27Å
48	G	75	Confident	85.5	Confident	25 Å²	25	41.2 Å²	41.2	26%	0.258	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	151.2	-179.8	0	0	0	0	0	112.3	V55	G48-V55 PolarHBondContact N-O 3.37Å; G48-V55 VanDerWaalsContact N-O 3.13Å; G48-V55 PolarHBondContact O-N 2.99Å
49	S	71.6	Confident	85.6	Confident	50 Å²	50	38.8 Å²	38.8	35%	0.35	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.1	175.8	-177.8	0	0	0	0	109.5
50	G	64.8	Low	85.7	Confident	46 Å²	46	34.2 Å²	34.2	47%	0.474	21%	0.214	S	C	.	.			trans	-119.6	-177	175.4	0	0	0	0	0	111.4	T52 A53	G50-T52 VanDerWaalsContact C-N 3.31Å; G50-T52 PolarHBondContact O-N 2.78Å; G50-A53 PolarHBondContact N-O 3.44Å
51	A	58.8	Low	85.7	Confident	70 Å²	70	38.5 Å²	38.5	58%	0.579	23%	0.231	S	C	*	.	S	Bend	trans	-64.8	-34.2	-179	0	0	0	0	0	113.2
52	T	64.3	Low	85.6	Confident	64 Å²	64	41.6 Å²	41.6	39%	0.393	25%	0.251	S	S	.	.	S	Bend	trans	-112.6	-15.8	-172.6	53	0	0	0	0	113.9	G50 N73	G50-T52 VanDerWaalsContact C-N 3.31Å; G50-T52 PolarHBondContact O-N 2.78Å; T52-N73 PolarHBondContact O-N 2.95Å
53	A	78.6	Confident	85.6	Confident	12 Å²	12	40.8 Å²	40.8	10%	0.099	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.6	-172.4	0	0	0	0	0	113	G50 K70 R71 I72	G50-A53 PolarHBondContact N-O 3.44Å; A53-K70 HydrophobicContact CB-CG 4.07Å; A53-R71 CarbonylContact C-O 3.54Å; A53-R71 WeakPolarHBondContact CA-O 3.38Å; A53-R71 WeakPolarHBondContact CB-O 3.25Å; A53-I72 HydrophobicContact CB-CG1 3.94Å
54	V	86.1	Confident	85.6	Confident	38 Å²	38	45.8 Å²	45.8	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.8	171.2	-178.3	0	0	0	0	108.5	V46 K70 R71	V46-V54 HydrophobicContact CG1-CG1 3.83Å; V46-V54 HydrophobicContact CG2-CG1 4.41Å; V54-K70 CarbonylContact O-C 3.58Å; V54-K70 WeakPolarHBondContact O-CA 3.44Å; V54-R71 PolarHBondContact N-O 3.47Å; V54-R71 PolarHBondContact O-N 3.17Å
55	V	89.8	Confident	85.8	Confident	35 Å²	35	45.9 Å²	45.9	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122	174.2	-175.7	0	0	0	0	108.3	I47 G48 A68 I69 K70	I47-V55 HydrophobicContact CB-CG1 4.34Å; I47-V55 HydrophobicContact CD1-CG1 4.36Å; I47-V55 PolarHBondContact N-O 3.17Å; G48-V55 PolarHBondContact N-O 3.37Å; G48-V55 VanDerWaalsContact N-O 3.13Å; G48-V55 PolarHBondContact O-N 2.99Å; V55-A68 HydrophobicContact CG1-CB 4.39Å; V55-I69 WeakPolarHBondContact CA-O 3.43Å; V55-K70 HydrophobicContact CG2-CB 4.27Å; V55-K70 HydrophobicContact CG2-CD 4.25Å; V55-K70 HydrophobicContact CG2-CG 3.97Å
56	Q	91.3	Very high	86.2	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.2	-174.3	-165.2	168.5	-0	0	0	110.3	L43 Q44 E45 V46 I69	L43-Q56 HydrophobicContact CD2-CG 4.36Å; Q44-Q56 WeakPolarHBondContact O-CG 3.26Å; Q44-Q56 PolarHBondContact O-NE2 2.91Å; E45-Q56 WeakPolarHBondContact O-CG 3.4Å; V46-Q56 HydrophobicContact CG2-CG 4.18Å; Q56-I69 PolarHBondContact N-O 3.17Å; Q56-I69 PolarHBondContact O-N 3.26Å
57	A	93.9	Very high	86.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.4	169	0	0	0	0	0	109.5	Q44 E45 I47 V67	Q44-A57 WeakPolarHBondContact CA-O 3.47Å; Q44-A57 HydrophobicContact CB-CB 4.05Å; Q44-A57 PolarHBondContact N-O 3.47Å; E45-A57 HydrophobicContact CG-CB 4.17Å; E45-A57 PolarHBondContact O-N 2.94Å; I47-A57 HydrophobicContact CD1-CB 3.98Å; I47-A57 HydrophobicContact CG1-CB 4.29Å; A57-V67 CarbonylContact C-O 3.58Å; A57-V67 WeakPolarHBondContact CA-O 3.21Å
58	A	96.1	Very high	87.2	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.1	173.4	0	0	0	0	0	111.6	E42 L43 R66 V67 I69	E42-A58 CarbonylContact O-C 3.59Å; E42-A58 WeakPolarHBondContact O-CA 3.42Å; E42-A58 WeakPolarHBondContact O-CB 3.41Å; L43-A58 HydrophobicContact CD2-CB 4.12Å; A58-R66 CarbonylContact O-C 3.57Å; A58-R66 WeakPolarHBondContact O-CA 3.4Å; A58-V67 HydrophobicContact CB-CG2 4.02Å; A58-V67 PolarHBondContact N-O 2.76Å; A58-V67 WeakPolarHBondContact O-CG2 3.34Å; A58-V67 PolarHBondContact O-N 3.24Å; A58-I69 HydrophobicContact CB-CD1 3.47Å; A58-I69 VanDerWaalsContact CB-CD1 3.47Å; A58-I69 HydrophobicContact CB-CG1 3.83Å
59	L	97.2	Very high	88.1	Confident	34 Å²	34	43.8 Å²	43.8	18%	0.178	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119	170	177	65.5	0	0	0	109.8	Y41 E42 K61 R66	Y41-L59 CarbonylContact C-O 3.44Å; Y41-L59 WeakPolarHBondContact CA-O 3.46Å; E42-L59 HydrophobicContact CB-CB 4.28Å; E42-L59 PolarHBondContact N-O 3.21Å; E42-L59 PolarHBondContact O-N 3.18Å; L59-K61 PolarHBondContact O-N 2.81Å; L59-R66 HydrophobicContact CD1-CG 4.35Å
60	C	97.8	Very high	89.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	96.5	170.7	178.4	0	0	0	0	109.4	W34 Y41 R63 Q64 E65	W34-C60 HydrophobicContact CZ3-CB 4.19Å; Y41-C60 HydrophobicContact CD1-CB 3.97Å; Y41-C60 HydrophobicContact CE1-CB 3.74Å; C60-R63 HydrophobicContact CB-CB 4.48Å; C60-R63 CarbonylContact O-C 3.51Å; C60-R63 PolarHBondContact O-N 3.49Å; C60-Q64 PolarHBondContact O-N 2.83Å; C60-E65 WeakPolarHBondContact CB-O 3.29Å; C60-E65 PolarHBondContact N-O 2.65Å
61	K	96.4	Very high	90.3	Very high	98 Å²	98	41.4 Å²	41.4	43%	0.426	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-43.6	-172	-61.6	-176.1	-66.4	-172.1	0	113.9	D39 A40 L59 R63 Q64	D39-K61 WeakPolarHBondContact O-CE 3.19Å; D39-K61 PolarHBondContact O-NZ 2.89Å; A40-K61 PolarHBondContact O-N 3.39Å; L59-K61 PolarHBondContact O-N 2.81Å; K61-R63 VanDerWaalsContact C-N 3.29Å; K61-R63 PolarHBondContact O-N 3.38Å; K61-Q64 PolarHBondContact O-N 3.05Å; K61-Q64 PolarHBondContact O-NE2 3.47Å
62	P	95.9	Very high	91.6	Very high	66 Å²	66	38.1 Å²	38.1	43%	0.429	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.8	179.8	-23.3	36	0	0	0	114.3	V32 P35 A40	V32-P62 HydrophobicContact CG1-CB 4.13Å; P35-P62 HydrophobicContact CG-CG 4.22Å; A40-P62 HydrophobicContact CB-CG 4.09Å; A40-P62 WeakPolarHBondContact O-CD 3.21Å
63	R	95.6	Very high	92.6	Very high	84 Å²	84	36.3 Å²	36.3	32%	0.317	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-9.5	-178.1	-59.3	-172.5	92.1	-106.1	-5.1	112.9	V32 C60 K61 E65	V32-R63 HydrophobicContact CB-CG 4.43Å; V32-R63 PolarHBondContact O-NE 3.14Å; C60-R63 HydrophobicContact CB-CB 4.48Å; C60-R63 CarbonylContact O-C 3.51Å; C60-R63 PolarHBondContact O-N 3.49Å; K61-R63 VanDerWaalsContact C-N 3.29Å; K61-R63 PolarHBondContact O-N 3.38Å; R63-E65 HydrophobicContact CB-CB 4.24Å; R63-E65 IonicContact CZ-OE2 2.85Å; R63-E65 IonicContact NH1-OE2 2.65Å; R63-E65 PolarHBondContact NH1-OE2 3.41Å; R63-E65 PolarHBondContact O-N 3.32Å
64	Q	95.6	Very high	92.7	Very high	148 Å²	148	37.2 Å²	37.2	69%	0.692	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.2	-172.6	-64.9	-67.5	-58.2	0	0	112.2	C60 K61	C60-Q64 PolarHBondContact O-N 2.83Å; K61-Q64 PolarHBondContact O-N 3.05Å; K61-Q64 PolarHBondContact O-NE2 3.47Å
65	E	95.3	Very high	92.2	Very high	62 Å²	62	43 Å²	43	29%	0.29	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.1	-176.6	-168.5	178.5	150	0	0	109.8	W34 C60 R63 Y103	W34-E65 HydrophobicContact CH2-CG 4.47Å; C60-E65 WeakPolarHBondContact CB-O 3.29Å; C60-E65 PolarHBondContact N-O 2.65Å; R63-E65 HydrophobicContact CB-CB 4.24Å; R63-E65 IonicContact CZ-OE2 2.85Å; R63-E65 IonicContact NH1-OE2 2.65Å; R63-E65 PolarHBondContact NH1-OE2 3.41Å; R63-E65 PolarHBondContact O-N 3.32Å; E65-Y103 PolarHBondContact OE1-OH 2.99Å
66	R	95.1	Very high	91.2	Very high	102 Å²	102	48.1 Å²	48.1	39%	0.385	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.9	172.3	-65.3	-175.8	74.3	-149.9	1.3	110	Q44 E45 A58 L59 L118	Q44-R66 VanDerWaalsContact OE1-NH2 3.1Å; E45-R66 IonicContact OE1-CZ 2.69Å; E45-R66 IonicContact OE1-NH2 3.54Å; E45-R66 PolarHBondContact OE1-NH2 3.14Å; E45-R66 IonicContact OE2-NH2 2.72Å; E45-R66 PolarHBondContact OE2-NH2 2.83Å; A58-R66 CarbonylContact O-C 3.57Å; A58-R66 WeakPolarHBondContact O-CA 3.4Å; L59-R66 HydrophobicContact CD1-CG 4.35Å; R66-L118 HydrophobicContact CB-CD2 3.96Å
67	V	96.4	Very high	89.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163	-177.1	-62.6	0	0	0	0	110.5	W34 Y41 A57 A58 I69 Y103 V115	W34-V67 HydrophobicContact CH2-CG1 3.78Å; W34-V67 HydrophobicContact CZ3-CG1 3.55Å; Y41-V67 HydrophobicContact CD1-CG2 4.04Å; Y41-V67 HydrophobicContact CE1-CG2 4.08Å; A57-V67 CarbonylContact C-O 3.58Å; A57-V67 WeakPolarHBondContact CA-O 3.21Å; A58-V67 HydrophobicContact CB-CG2 4.02Å; A58-V67 PolarHBondContact N-O 2.76Å; A58-V67 WeakPolarHBondContact O-CG2 3.34Å; A58-V67 PolarHBondContact O-N 3.24Å; V67-I69 HydrophobicContact CG2-CD1 4.47Å; V67-I69 HydrophobicContact CG2-CG1 4.08Å; V67-Y103 HydrophobicContact CG1-CD2 4.13Å; V67-Y103 HydrophobicContact CG1-CE2 4.01Å; V67-V115 HydrophobicContact CB-CG1 4Å; V67-V115 HydrophobicContact CG1-CG1 4.16Å; V67-V115 HydrophobicContact CG2-CG1 3.92Å
68	A	95.4	Very high	88.3	Confident	7 Å²	7	55.2 Å²	55.2	6%	0.058	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.2	163.6	0	0	0	0	0	108.5	I47 V55 M116 L118	I47-A68 HydrophobicContact CD1-CB 4.49Å; V55-A68 HydrophobicContact CG1-CB 4.39Å; A68-M116 HydrophobicContact CB-CG 3.78Å; A68-M116 PolarHBondContact N-O 3.29Å; A68-M116 WeakPolarHBondContact O-CG 3.46Å; A68-M116 PolarHBondContact O-N 3.07Å; A68-L118 HydrophobicContact CB-CD1 3.99Å
69	I	95.2	Very high	86.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.8	173.7	-58	-173.7	0	0	0	107.8	Y41 L43 V55 Q56 A58 V67 R71 W113 L114 V115	Y41-I69 HydrophobicContact CD1-CD1 3.83Å; Y41-I69 HydrophobicContact CG-CD1 3.91Å; L43-I69 HydrophobicContact CD2-CD1 4.11Å; V55-I69 WeakPolarHBondContact CA-O 3.43Å; Q56-I69 PolarHBondContact N-O 3.17Å; Q56-I69 PolarHBondContact O-N 3.26Å; A58-I69 HydrophobicContact CB-CD1 3.47Å; A58-I69 VanDerWaalsContact CB-CD1 3.47Å; A58-I69 HydrophobicContact CB-CG1 3.83Å; V67-I69 HydrophobicContact CG2-CD1 4.47Å; V67-I69 HydrophobicContact CG2-CG1 4.08Å; I69-R71 HydrophobicContact CG2-CG 4.01Å; I69-W113 HydrophobicContact CD1-CE3 3.86Å; I69-W113 HydrophobicContact CD1-CZ3 3.75Å; I69-W113 HydrophobicContact CG2-CB 3.99Å; I69-W113 HydrophobicContact CG2-CD2 3.75Å; I69-W113 HydrophobicContact CG2-CE3 3.56Å; I69-W113 HydrophobicContact CG2-CG 3.97Å; I69-W113 HydrophobicContact CG2-CZ3 4.16Å; I69-L114 WeakPolarHBondContact CA-O 3.47Å; I69-V115 HydrophobicContact CG1-CG2 4.46Å
70	K	91.7	Very high	85.6	Confident	15 Å²	15	57 Å²	57	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.5	170.4	-172.7	170.6	-160.4	169.2	0	108.9	A53 V54 V55 I72 W113 L114 M116 D188 S192	A53-K70 HydrophobicContact CB-CG 4.07Å; V54-K70 CarbonylContact O-C 3.58Å; V54-K70 WeakPolarHBondContact O-CA 3.44Å; V55-K70 HydrophobicContact CG2-CB 4.27Å; V55-K70 HydrophobicContact CG2-CD 4.25Å; V55-K70 HydrophobicContact CG2-CG 3.97Å; K70-I72 HydrophobicContact CG-CG1 4.18Å; K70-W113 WeakPolarHBondContact O-CA 3.31Å; K70-L114 HydrophobicContact CB-CB 4.25Å; K70-L114 PolarHBondContact N-O 3Å; K70-L114 PolarHBondContact O-N 2.88Å; K70-M116 HydrophobicContact CB-CE 3.56Å; K70-M116 HydrophobicContact CD-CE 4.35Å; K70-D188 IonicContact NZ-OD1 3.08Å; K70-D188 PolarHBondContact NZ-OD1 3.13Å; K70-D188 IonicContact NZ-OD2 2.7Å; K70-D188 PolarHBondContact NZ-OD2 2.54Å; K70-S192 PolarHBondContact NZ-OG 2.83Å
71	R	90.8	Very high	84.4	Confident	31 Å²	31	60.7 Å²	60.7	12%	0.117	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.2	-179.9	-58.5	171	50.9	-166.3	-5.1	108.2	A53 V54 I69 E111 W113 E366	A53-R71 CarbonylContact C-O 3.54Å; A53-R71 WeakPolarHBondContact CA-O 3.38Å; A53-R71 WeakPolarHBondContact CB-O 3.25Å; V54-R71 PolarHBondContact N-O 3.47Å; V54-R71 PolarHBondContact O-N 3.17Å; I69-R71 HydrophobicContact CG2-CG 4.01Å; R71-E111 IonicContact CZ-OE1 3.92Å; R71-E111 IonicContact CZ-OE2 2.87Å; R71-E111 VanDerWaalsContact CZ-OE2 3.31Å; R71-E111 IonicContact NE-OE1 3.87Å; R71-E111 PolarHBondContact NE-OE1 3.47Å; R71-E111 IonicContact NE-OE2 2.81Å; R71-E111 PolarHBondContact NE-OE2 3.25Å; R71-E111 VanDerWaalsContact NH2-CD 3.28Å; R71-E111 IonicContact NH2-OE1 2.84Å; R71-E111 PolarHBondContact NH2-OE1 3.03Å; R71-E111 IonicContact NH2-OE2 3.42Å; R71-E111 PolarHBondContact NH2-OE2 2.99Å; R71-W113 HydrophobicContact CG-CD2 4.25Å; R71-W113 HydrophobicContact CG-CG 4.31Å; R71-W113 HydrophobicContact CG-CZ2 4.2Å; R71-E366 IonicContact NH2-OE2 3.4Å
72	I	86.1	Confident	83.5	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	-177.9	-57.1	176.8	0	0	0	107.6	A53 K70 L74 C77 E111 L112 L114 V191 L195	A53-I72 HydrophobicContact CB-CG1 3.94Å; K70-I72 HydrophobicContact CG-CG1 4.18Å; I72-L74 PolarHBondContact O-N 3.48Å; I72-C77 VanDerWaalsContact CG2-SG 3.5Å; I72-E111 CarbonylContact O-C 3.57Å; I72-E111 VanDerWaalsContact O-CA 3.24Å; I72-E111 WeakPolarHBondContact O-CA 3.46Å; I72-L112 HydrophobicContact CB-CB 4.37Å; I72-L112 HydrophobicContact CD1-CD2 4.48Å; I72-L112 PolarHBondContact N-O 3.03Å; I72-L112 PolarHBondContact O-N 2.92Å; I72-L114 HydrophobicContact CD1-CD1 3.81Å; I72-L114 HydrophobicContact CD1-CG 4.32Å; I72-V191 HydrophobicContact CD1-CG1 3.48Å; I72-V191 VanDerWaalsContact CD1-CG1 3.48Å; I72-L195 HydrophobicContact CD1-CD1 4.31Å; I72-L195 HydrophobicContact CG2-CD1 3.86Å
73	N	83.8	Confident	82.4	Confident	26 Å²	26	60.5 Å²	60.5	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119	177.2	-177.2	-66.4	0	0	0	109.6	T52 E75 K76 C77 D110	T52-N73 PolarHBondContact O-N 2.95Å; N73-E75 WeakPolarHBondContact OD1-CA 3.49Å; N73-E75 WeakPolarHBondContact OD1-CB 3.4Å; N73-E75 PolarHBondContact OD1-N 2.57Å; N73-K76 HydrophobicContact CB-CB 4.25Å; N73-K76 HydrophobicContact CB-CD 4.09Å; N73-K76 HydrophobicContact CB-CG 4.24Å; N73-K76 WeakPolarHBondContact OD1-CG 3.14Å; N73-K76 PolarHBondContact OD1-N 3.28Å; N73-C77 PolarHBondContact O-N 2.99Å; N73-C77 PolarHBondContact O-SG 2.98Å; N73-D110 PolarHBondContact ND2-OD2 3.24Å
74	L	80.6	Confident	81.5	Confident	30 Å²	30	56.8 Å²	56.8	16%	0.157	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-28.5	-174.3	-61.7	175.7	0	0	0	112.3	I72 C77 M81 L84 V107 D110 L112	I72-L74 PolarHBondContact O-N 3.48Å; L74-C77 PolarHBondContact O-N 3.14Å; L74-C77 VanDerWaalsContact O-O 3.08Å; L74-M81 HydrophobicContact CB-CE 4.27Å; L74-M81 HydrophobicContact CD1-CE 4.37Å; L74-M81 HydrophobicContact CD1-SD 3.95Å; L74-M81 HydrophobicContact CD2-CE 3.59Å; L74-M81 HydrophobicContact CD2-SD 3.93Å; L74-M81 HydrophobicContact CG-CE 4.27Å; L74-M81 HydrophobicContact CG-SD 4.45Å; L74-L84 HydrophobicContact CD2-CD2 3.68Å; L74-V107 HydrophobicContact CD1-CG1 4.27Å; L74-V107 HydrophobicContact CD1-CG2 4.49Å; L74-D110 VanDerWaalsContact CB-O 3.27Å; L74-D110 WeakPolarHBondContact CB-O 3.31Å; L74-D110 WeakPolarHBondContact CG-O 3.47Å; L74-D110 PolarHBondContact N-O 3.3Å; L74-L112 HydrophobicContact CD1-CB 4.47Å; L74-L112 HydrophobicContact CD2-CB 3.65Å; L74-L112 HydrophobicContact CG-CB 4.25Å
75	E	76.1	Confident	80.7	Confident	160 Å²	160	54.7 Å²	54.7	75%	0.748	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-35.8	177.1	-58.3	-167.7	154.7	0	0	112.2	N73 C77 D110	N73-E75 WeakPolarHBondContact OD1-CA 3.49Å; N73-E75 WeakPolarHBondContact OD1-CB 3.4Å; N73-E75 PolarHBondContact OD1-N 2.57Å; E75-C77 PolarHBondContact O-N 2.98Å; E75-D110 HydrophobicContact CG-CB 4.34Å
76	K	68	Low	80	Confident	143 Å²	143	58.5 Å²	58.5	62%	0.622	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-20	173.9	-66.8	-179.7	-175.5	177.2	0	112.2	N73	N73-K76 HydrophobicContact CB-CB 4.25Å; N73-K76 HydrophobicContact CB-CD 4.09Å; N73-K76 HydrophobicContact CB-CG 4.24Å; N73-K76 WeakPolarHBondContact OD1-CG 3.14Å; N73-K76 PolarHBondContact OD1-N 3.28Å
77	C	64	Low	79.2	Confident	15 Å²	15	55 Å²	55	10%	0.101	27%	0.27	C	S	.	.			trans	-87.4	115.9	177.9	-68	0	0	0	0	110.5	I72 N73 L74 E75 T79 L195	I72-C77 VanDerWaalsContact CG2-SG 3.5Å; N73-C77 PolarHBondContact O-N 2.99Å; N73-C77 PolarHBondContact O-SG 2.98Å; L74-C77 PolarHBondContact O-N 3.14Å; L74-C77 VanDerWaalsContact O-O 3.08Å; E75-C77 PolarHBondContact O-N 2.98Å; C77-T79 PolarHBondContact O-N 2.59Å; C77-L195 HydrophobicContact CB-CD2 4.08Å
78	Q	61.4	Low	78.6	Confident	138 Å²	138	55.5 Å²	55.5	65%	0.645	27%	0.272	S	S	*	.			trans	-77.2	18.3	175.2	-56.7	-165.7	-62.3	0	0	113.6
79	T	64.9	Low	78	Confident	22 Å²	22	60.5 Å²	60.5	14%	0.135	30%	0.295	C	S	.	.	S	Bend	trans	-101.4	141.2	-171.3	-65.9	0	0	0	0	110.3	C77 E83 F194 L195	C77-T79 PolarHBondContact O-N 2.59Å; T79-E83 HydrophobicContact CG2-CB 4.03Å; T79-F194 HydrophobicContact CG2-CD1 4Å; T79-F194 HydrophobicContact CG2-CE1 3.3Å; T79-F194 HydrophobicContact CG2-CZ 4.15Å; T79-L195 WeakPolarHBondContact OG1-CD2 3.45Å
80	S	70.9	Confident	77.2	Confident	48 Å²	48	61.3 Å²	61.3	34%	0.336	30%	0.301	S	S	.	.			trans	-69.2	145	176	67.1	0	0	0	0	111.5	D82 E83 L84	S80-D82 PolarHBondContact O-N 2.75Å; S80-E83 PolarHBondContact N-OE2 2.99Å; S80-E83 PolarHBondContact O-N 3.35Å; S80-E83 WeakPolarHBondContact OG-CB 3.5Å; S80-E83 WeakPolarHBondContact OG-CG 3.37Å; S80-E83 PolarHBondContact OG-N 3.25Å; S80-E83 PolarHBondContact OG-OE2 3.48Å; S80-L84 PolarHBondContact O-N 3.46Å
81	M	74.2	Confident	76.8	Confident	78 Å²	78	61.2 Å²	61.2	38%	0.384	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-31.9	176.4	-70.7	-57.2	101.5	0	0	112.3	L74 L84 L85	L74-M81 HydrophobicContact CB-CE 4.27Å; L74-M81 HydrophobicContact CD1-CE 4.37Å; L74-M81 HydrophobicContact CD1-SD 3.95Å; L74-M81 HydrophobicContact CD2-CE 3.59Å; L74-M81 HydrophobicContact CD2-SD 3.93Å; L74-M81 HydrophobicContact CG-CE 4.27Å; L74-M81 HydrophobicContact CG-SD 4.45Å; M81-L84 HydrophobicContact CE-CD2 3.76Å; M81-L84 WeakPolarHBondContact O-CB 3.39Å; M81-L84 PolarHBondContact O-N 3.17Å; M81-L84 HydrophobicContact SD-CD2 3.89Å; M81-L85 WeakPolarHBondContact O-CB 3.37Å; M81-L85 VanDerWaalsContact O-CG 3.26Å; M81-L85 WeakPolarHBondContact O-CG 3.34Å; M81-L85 PolarHBondContact O-N 2.63Å
82	D	76.3	Confident	76.5	Confident	117 Å²	117	62.8 Å²	62.8	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-66.2	-39.1	178.7	-66.9	-24.2	0	0	0	112.9	S80 K86	S80-D82 PolarHBondContact O-N 2.75Å; D82-K86 WeakPolarHBondContact O-CG 3.43Å; D82-K86 PolarHBondContact O-N 3.32Å
83	E	73.3	Confident	76.4	Confident	44 Å²	44	69.1 Å²	69.1	21%	0.206	35%	0.347	C	S	.	.	H	α-helix	trans	-67.6	-41.8	174.5	-73.7	163.8	163.6	0	0	111	T79 S80 L85 K86 E87 F194	T79-E83 HydrophobicContact CG2-CB 4.03Å; S80-E83 PolarHBondContact N-OE2 2.99Å; S80-E83 PolarHBondContact O-N 3.35Å; S80-E83 WeakPolarHBondContact OG-CB 3.5Å; S80-E83 WeakPolarHBondContact OG-CG 3.37Å; S80-E83 PolarHBondContact OG-N 3.25Å; S80-E83 PolarHBondContact OG-OE2 3.48Å; E83-L85 PolarHBondContact O-N 3.08Å; E83-K86 PolarHBondContact O-N 3.24Å; E83-E87 PolarHBondContact O-N 3.45Å; E83-F194 HydrophobicContact CB-CE1 4.24Å; E83-F194 HydrophobicContact CB-CE2 4.43Å; E83-F194 HydrophobicContact CB-CZ 3.76Å; E83-F194 HydrophobicContact CG-CZ 4.15Å
84	L	77.3	Confident	76.5	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-45.2	177.1	-170.3	63.1	0	0	0	111.5	L74 S80 M81 K86 E87 I88 L112 V191	L74-L84 HydrophobicContact CD2-CD2 3.68Å; S80-L84 PolarHBondContact O-N 3.46Å; M81-L84 HydrophobicContact CE-CD2 3.76Å; M81-L84 WeakPolarHBondContact O-CB 3.39Å; M81-L84 PolarHBondContact O-N 3.17Å; M81-L84 HydrophobicContact SD-CD2 3.89Å; L84-K86 PolarHBondContact O-N 3.13Å; L84-E87 PolarHBondContact O-N 2.83Å; L84-I88 HydrophobicContact CG-CD1 4.25Å; L84-I88 VanDerWaalsContact O-CG1 3.29Å; L84-I88 WeakPolarHBondContact O-CG1 3.46Å; L84-I88 PolarHBondContact O-N 3.4Å; L84-L112 HydrophobicContact CD1-CD2 3.99Å; L84-L112 HydrophobicContact CD2-CD2 3.5Å; L84-L112 VanDerWaalsContact CD2-CD2 3.5Å; L84-L112 HydrophobicContact CG-CD2 3.76Å; L84-V191 HydrophobicContact CD1-CB 4.04Å; L84-V191 HydrophobicContact CD1-CG1 3.23Å; L84-V191 HydrophobicContact CD1-CG2 3.72Å
85	L	79.1	Confident	76.9	Confident	103 Å²	103	71.5 Å²	71.5	54%	0.539	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-37.9	177.7	-74.4	171.8	0	0	0	112.7	M81 E83 E87 I88 Q89	M81-L85 WeakPolarHBondContact O-CB 3.37Å; M81-L85 VanDerWaalsContact O-CG 3.26Å; M81-L85 WeakPolarHBondContact O-CG 3.34Å; M81-L85 PolarHBondContact O-N 2.63Å; E83-L85 PolarHBondContact O-N 3.08Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 3.35Å; L85-I88 HydrophobicContact CD2-CD1 4.47Å; L85-I88 PolarHBondContact O-N 2.79Å; L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 PolarHBondContact O-N 3.19Å
86	K	78.7	Confident	77.9	Confident	143 Å²	143	65.5 Å²	65.5	62%	0.622	34%	0.339	S	S	*	.	H	α-helix	trans	-61.6	-42.9	174.5	-74.3	171.7	-176.2	172.9	0	111.7	D82 E83 L84 Q89 A90	D82-K86 WeakPolarHBondContact O-CG 3.43Å; D82-K86 PolarHBondContact O-N 3.32Å; E83-K86 PolarHBondContact O-N 3.24Å; L84-K86 PolarHBondContact O-N 3.13Å; K86-Q89 PolarHBondContact O-N 3.15Å; K86-A90 PolarHBondContact O-N 3.06Å
87	E	79.2	Confident	79.2	Confident	27 Å²	27	62.3 Å²	62.3	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-68.9	-38.2	178.3	-69.9	-73.3	177.5	0	0	111.7	E83 L84 L85 Q89 A90 M91 R169 G190 V191 F194	E83-E87 PolarHBondContact O-N 3.45Å; L84-E87 PolarHBondContact O-N 2.83Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 3.35Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-A90 PolarHBondContact O-N 3.39Å; E87-M91 WeakPolarHBondContact O-CB 3.37Å; E87-M91 PolarHBondContact O-N 2.82Å; E87-R169 IonicContact OE1-CZ 3.87Å; E87-R169 IonicContact OE1-NH1 3.73Å; E87-R169 PolarHBondContact OE1-NH1 3.12Å; E87-G190 WeakPolarHBondContact OE2-CA 3.45Å; E87-V191 HydrophobicContact CB-CG2 3.92Å; E87-F194 HydrophobicContact CG-CB 3.88Å; E87-F194 HydrophobicContact CG-CD2 3.85Å; E87-F194 HydrophobicContact CG-CG 3.93Å; E87-F194 VanDerWaalsContact OE1-CD2 3.32Å; E87-F194 WeakPolarHBondContact OE1-CD2 3.47Å
88	I	83.9	Confident	80.8	Confident	11 Å²	11	62 Å²	62	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-41.7	171.5	-65.7	166.9	0	0	0	110.8	L84 L85 M91 S92 Y102 S105 L112 L114 V191	L84-I88 HydrophobicContact CG-CD1 4.25Å; L84-I88 VanDerWaalsContact O-CG1 3.29Å; L84-I88 WeakPolarHBondContact O-CG1 3.46Å; L84-I88 PolarHBondContact O-N 3.4Å; L85-I88 HydrophobicContact CD2-CD1 4.47Å; L85-I88 PolarHBondContact O-N 2.79Å; I88-M91 WeakPolarHBondContact O-CB 3.38Å; I88-M91 PolarHBondContact O-N 3.28Å; I88-S92 WeakPolarHBondContact O-CB 3.32Å; I88-S92 PolarHBondContact O-N 3.33Å; I88-S92 PolarHBondContact O-OG 3.06Å; I88-Y102 HydrophobicContact CG2-CE2 4.32Å; I88-Y102 VanDerWaalsContact CG2-OH 3.31Å; I88-Y102 WeakPolarHBondContact CG2-OH 3.27Å; I88-S105 WeakPolarHBondContact CG2-OG 3.48Å; I88-L112 HydrophobicContact CD1-CD1 4.13Å; I88-L112 HydrophobicContact CD1-CD2 3.65Å; I88-L114 HydrophobicContact CD1-CD2 4.29Å; I88-L114 HydrophobicContact CG1-CD2 4.19Å; I88-V191 HydrophobicContact CD1-CG2 4.42Å; I88-V191 HydrophobicContact CG1-CG2 3.5Å; I88-V191 VanDerWaalsContact CG1-CG2 3.5Å
89	Q	82.7	Confident	82.4	Confident	113 Å²	113	55.6 Å²	55.6	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-43.7	178.3	-176	-179.6	-0.2	0	0	111.1	L85 K86 E87 M91 S92 Q93	L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 PolarHBondContact O-N 3.19Å; K86-Q89 PolarHBondContact O-N 3.15Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; Q89-M91 VanDerWaalsContact C-N 3.32Å; Q89-M91 PolarHBondContact O-N 2.78Å; Q89-S92 PolarHBondContact O-N 3.17Å; Q89-S92 PolarHBondContact O-OG 3.1Å; Q89-Q93 WeakPolarHBondContact O-CG 3.2Å; Q89-Q93 PolarHBondContact O-N 3.24Å
90	A	79.3	Confident	83.7	Confident	17 Å²	17	55 Å²	55	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-42.6	174.3	0	0	0	0	0	111.7	K86 E87 Q93 C94	K86-A90 PolarHBondContact O-N 3.06Å; E87-A90 PolarHBondContact O-N 3.39Å; A90-Q93 PolarHBondContact O-N 3.16Å; A90-C94 PolarHBondContact O-SG 3.11Å
91	M	83.4	Confident	84.7	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.059	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-42	177.9	-163.8	-170.6	-45.4	0	0	112.6	E87 I88 Q89 Q93 C94 Y102 L114 F189 V191	E87-M91 WeakPolarHBondContact O-CB 3.37Å; E87-M91 PolarHBondContact O-N 2.82Å; I88-M91 WeakPolarHBondContact O-CB 3.38Å; I88-M91 PolarHBondContact O-N 3.28Å; Q89-M91 VanDerWaalsContact C-N 3.32Å; Q89-M91 PolarHBondContact O-N 2.78Å; M91-Q93 PolarHBondContact O-N 3.35Å; M91-C94 WeakPolarHBondContact O-CB 3.48Å; M91-C94 PolarHBondContact O-N 2.89Å; M91-C94 VanDerWaalsContact O-N 3.09Å; M91-Y102 HydrophobicContact CG-CD2 4.38Å; M91-Y102 HydrophobicContact CG-CG 4.18Å; M91-Y102 HydrophobicContact SD-CD2 3.59Å; M91-Y102 VanDerWaalsContact SD-CD2 3.59Å; M91-Y102 HydrophobicContact SD-CE2 4.4Å; M91-Y102 HydrophobicContact SD-CG 3.97Å; M91-L114 HydrophobicContact CE-CD1 4.44Å; M91-F189 HydrophobicContact CB-CE2 4.17Å; M91-F189 HydrophobicContact CB-CZ 4.26Å; M91-F189 WeakPolarHBondContact CE-O 3.38Å; M91-F189 HydrophobicContact CG-CD2 4.44Å; M91-F189 HydrophobicContact CG-CE1 3.89Å; M91-F189 HydrophobicContact CG-CE2 3.76Å; M91-F189 HydrophobicContact CG-CZ 3.44Å; M91-F189 VanDerWaalsContact CG-CZ 3.44Å; M91-V191 HydrophobicContact CE-CB 4.13Å; M91-V191 HydrophobicContact CE-CG2 3.9Å
92	S	84.3	Confident	85.5	Confident	65 Å²	65	52.6 Å²	52.6	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-68.5	-21.3	-177.9	65.4	0	0	0	0	114.2	I88 Q89 C94	I88-S92 WeakPolarHBondContact O-CB 3.32Å; I88-S92 PolarHBondContact O-N 3.33Å; I88-S92 PolarHBondContact O-OG 3.06Å; Q89-S92 PolarHBondContact O-N 3.17Å; Q89-S92 PolarHBondContact O-OG 3.1Å; S92-C94 VanDerWaalsContact C-N 3.34Å
93	Q	83.7	Confident	86.3	Confident	133 Å²	133	49.2 Å²	49.2	62%	0.621	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.4	175.2	-65.8	171.9	18.7	0	0	112.8	Q89 A90 M91	Q89-Q93 WeakPolarHBondContact O-CG 3.2Å; Q89-Q93 PolarHBondContact O-N 3.24Å; A90-Q93 PolarHBondContact O-N 3.16Å; M91-Q93 PolarHBondContact O-N 3.35Å
94	C	85.2	Confident	87.3	Confident	13 Å²	13	48.1 Å²	48.1	9%	0.088	26%	0.257	C	S	.	.			trans	-91.9	119.8	-178.2	-69.9	0	0	0	0	111.3	A90 M91 S92 Y160 F189	A90-C94 PolarHBondContact O-SG 3.11Å; M91-C94 WeakPolarHBondContact O-CB 3.48Å; M91-C94 PolarHBondContact O-N 2.89Å; M91-C94 VanDerWaalsContact O-N 3.09Å; S92-C94 VanDerWaalsContact C-N 3.34Å; C94-Y160 HydrophobicContact CB-CE1 4.04Å; C94-F189 HydrophobicContact CB-CE2 3.68Å; C94-F189 HydrophobicContact CB-CZ 3.65Å
95	S	89.9	Confident	88	Confident	93 Å²	93	49.1 Å²	49.1	65%	0.65	26%	0.264	S	S	*	.			trans	-136.2	108.7	173.9	-168.4	0	0	0	0	110	Y160	S95-Y160 PolarHBondContact N-OH 2.87Å; S95-Y160 VanDerWaalsContact N-OH 3.13Å
96	H	95.4	Very high	88.7	Confident	34 Å²	34	45.1 Å²	45.1	16%	0.157	24%	0.243	C	C	.	.			trans	-149.2	141.4	-179.8	-171.2	-96.2	0	0	0	110.1	N98 V99 Y160	H96-N98 PolarHBondContact CE1-OD1 3.49Å; H96-N98 VanDerWaalsContact CE1-OD1 3.24Å; H96-N98 PolarHBondContact ND1-N 3.34Å; H96-N98 VanDerWaalsContact ND1-N 3.16Å; H96-N98 PolarHBondContact O-N 3.47Å; H96-N98 VanDerWaalsContact O-N 3.1Å; H96-V99 HydrophobicContact CB-CB 4.12Å; H96-V99 HydrophobicContact CB-CG2 4.01Å; H96-V99 PolarHBondContact O-N 3.29Å; H96-Y160 HydrophobicContact CB-CD1 3.69Å; H96-Y160 HydrophobicContact CB-CD2 4.02Å; H96-Y160 HydrophobicContact CB-CE1 3.99Å; H96-Y160 HydrophobicContact CB-CE2 4.26Å; H96-Y160 HydrophobicContact CB-CG 3.72Å; H96-Y160 AromaticContact CD2-CD2 3.55Å; H96-Y160 AromaticContact CD2-CG 3.61Å; H96-Y160 AromaticContact CG-CD2 4Å; H96-Y160 AromaticContact CG-CG 3.69Å
97	P	96	Very high	89.3	Confident	77 Å²	77	42.5 Å²	42.5	50%	0.5	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.9	-178.7	21.7	-35.6	0	0	0	114.6	Q185	P97-Q185 WeakPolarHBondContact O-CG 3.41Å; P97-Q185 PolarHBondContact O-NE2 3.08Å
98	N	97.4	Very high	89.9	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.043	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.8	179.5	-52.3	107.9	0	0	0	114.2	H96 E153 V184 Q185 I186	H96-N98 PolarHBondContact CE1-OD1 3.49Å; H96-N98 VanDerWaalsContact CE1-OD1 3.24Å; H96-N98 PolarHBondContact ND1-N 3.34Å; H96-N98 VanDerWaalsContact ND1-N 3.16Å; H96-N98 PolarHBondContact O-N 3.47Å; H96-N98 VanDerWaalsContact O-N 3.1Å; N98-E153 WeakPolarHBondContact CB-O 3.37Å; N98-E153 WeakPolarHBondContact ND2-CB 3.5Å; N98-E153 PolarHBondContact ND2-OE2 2.9Å; N98-V184 WeakPolarHBondContact CA-O 3.39Å; N98-V184 PolarHBondContact ND2-O 3.14Å; N98-Q185 WeakPolarHBondContact O-CA 3.49Å; N98-I186 WeakPolarHBondContact O-CG1 3.49Å; N98-I186 PolarHBondContact O-N 3.01Å
99	V	95.1	Very high	90.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-124	131.7	172.9	178.1	0	0	0	0	107.3	H96 T101 Y160 L161 F189	H96-V99 HydrophobicContact CB-CB 4.12Å; H96-V99 HydrophobicContact CB-CG2 4.01Å; H96-V99 PolarHBondContact O-N 3.29Å; V99-T101 PolarHBondContact O-N 3.04Å; V99-Y160 HydrophobicContact CG2-CD1 4.42Å; V99-L161 HydrophobicContact CG2-CD1 4.48Å; V99-L161 HydrophobicContact CG2-CD2 4.4Å; V99-L161 HydrophobicContact CG2-CG 4.26Å; V99-F189 HydrophobicContact CG1-CD1 3.49Å; V99-F189 VanDerWaalsContact CG1-CD1 3.49Å; V99-F189 HydrophobicContact CG1-CE1 3.08Å; V99-F189 HydrophobicContact CG1-CE2 4.3Å; V99-F189 HydrophobicContact CG1-CG 4.28Å; V99-F189 HydrophobicContact CG1-CZ 3.54Å
100	V	93.6	Very high	90.4	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.055	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-58.9	127.6	-176.7	171.8	0	0	0	0	109.8	Y102 M116 L119 L177 Q185 I186 A187	V100-Y102 PolarHBondContact O-N 2.96Å; V100-M116 HydrophobicContact CG1-CB 4.13Å; V100-M116 HydrophobicContact CG1-CG 4.4Å; V100-M116 HydrophobicContact CG1-SD 4.43Å; V100-L119 HydrophobicContact CG2-CD1 3.83Å; V100-L177 HydrophobicContact CG2-CD1 4.24Å; V100-Q185 HydrophobicContact CG2-CB 3.77Å; V100-I186 WeakPolarHBondContact CG2-O 3.32Å; V100-I186 PolarHBondContact N-O 3.4Å; V100-A187 HydrophobicContact CG2-CB 3.78Å
101	T	90.2	Very high	90.9	Very high	41 Å²	41	47 Å²	47	25%	0.252	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-70.4	119.8	-177.7	-46.6	0	0	0	0	110.1	V99 Y103 M116 K117	V99-T101 PolarHBondContact O-N 3.04Å; T101-Y103 HydrophobicContact CG2-CD1 3.78Å; T101-Y103 HydrophobicContact CG2-CE1 3.55Å; T101-M116 VanDerWaalsContact O-CA 3.32Å; T101-M116 WeakPolarHBondContact O-CA 3.48Å; T101-M116 WeakPolarHBondContact O-CB 3.32Å; T101-K117 PolarHBondContact O-N 3.39Å
102	Y	91.5	Very high	91.2	Very high	35 Å²	35	46.9 Å²	46.9	14%	0.137	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.9	165.9	167.8	-88.9	0	0	0	109.2	I88 M91 V100 T104 S105 L114	I88-Y102 HydrophobicContact CG2-CE2 4.32Å; I88-Y102 VanDerWaalsContact CG2-OH 3.31Å; I88-Y102 WeakPolarHBondContact CG2-OH 3.27Å; M91-Y102 HydrophobicContact CG-CD2 4.38Å; M91-Y102 HydrophobicContact CG-CG 4.18Å; M91-Y102 HydrophobicContact SD-CD2 3.59Å; M91-Y102 VanDerWaalsContact SD-CD2 3.59Å; M91-Y102 HydrophobicContact SD-CE2 4.4Å; M91-Y102 HydrophobicContact SD-CG 3.97Å; V100-Y102 PolarHBondContact O-N 2.96Å; Y102-T104 VanDerWaalsContact CE2-O 3.31Å; Y102-T104 WeakPolarHBondContact CE2-O 3.44Å; Y102-S105 VanDerWaalsContact OH-CB 3.24Å; Y102-S105 WeakPolarHBondContact OH-CB 3.29Å; Y102-S105 PolarHBondContact OH-N 3.09Å; Y102-S105 PolarHBondContact OH-OG 3.35Å; Y102-L114 HydrophobicContact CE2-CD2 4.14Å
103	Y	92.9	Very high	91.6	Very high	46 Å²	46	44 Å²	44	18%	0.18	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-52.6	-177.4	-67.2	-34.7	0	0	0	112.4	W34 E65 V67 T101 V115 K117	W34-Y103 HydrophobicContact CD2-CD1 4.44Å; W34-Y103 HydrophobicContact CD2-CD2 4.11Å; W34-Y103 AromaticContact CD2-CG 3.83Å; W34-Y103 HydrophobicContact CD2-CG 3.83Å; W34-Y103 AromaticContact CE2-CD1 3.49Å; W34-Y103 VanDerWaalsContact CE2-CD1 3.49Å; W34-Y103 AromaticContact CE2-CD2 3.65Å; W34-Y103 AromaticContact CE2-CE1 3.99Å; W34-Y103 AromaticContact CE2-CG 3.29Å; W34-Y103 HydrophobicContact CE3-CD2 4.13Å; W34-Y103 HydrophobicContact CE3-CG 4.31Å; W34-Y103 HydrophobicContact CG-CG 4.41Å; W34-Y103 HydrophobicContact CH2-CD1 4.34Å; W34-Y103 AromaticContact CH2-CD2 3.25Å; W34-Y103 HydrophobicContact CH2-CD2 3.25Å; W34-Y103 HydrophobicContact CH2-CE1 4.3Å; W34-Y103 AromaticContact CH2-CE2 3.18Å; W34-Y103 HydrophobicContact CH2-CE2 3.18Å; W34-Y103 AromaticContact CH2-CG 3.85Å; W34-Y103 HydrophobicContact CH2-CG 3.85Å; W34-Y103 AromaticContact CH2-CZ 3.73Å; W34-Y103 AromaticContact CZ2-CD1 3.44Å; W34-Y103 HydrophobicContact CZ2-CD1 3.44Å; W34-Y103 VanDerWaalsContact CZ2-CD1 3.44Å; W34-Y103 AromaticContact CZ2-CD2 3.21Å; W34-Y103 HydrophobicContact CZ2-CD2 3.21Å; W34-Y103 AromaticContact CZ2-CE1 3.47Å; W34-Y103 HydrophobicContact CZ2-CE1 3.47Å; W34-Y103 VanDerWaalsContact CZ2-CE1 3.47Å; W34-Y103 AromaticContact CZ2-CE2 3.22Å; W34-Y103 HydrophobicContact CZ2-CE2 3.22Å; W34-Y103 AromaticContact CZ2-CG 3.3Å; W34-Y103 HydrophobicContact CZ2-CG 3.3Å; W34-Y103 AromaticContact CZ2-CZ 3.33Å; W34-Y103 AromaticContact CZ3-CD2 3.74Å; W34-Y103 HydrophobicContact CZ3-CD2 3.74Å; W34-Y103 HydrophobicContact CZ3-CE2 4.06Å; W34-Y103 HydrophobicContact CZ3-CG 4.32Å; W34-Y103 AromaticContact NE1-CD1 3.47Å; W34-Y103 AromaticContact NE1-CG 3.61Å; E65-Y103 PolarHBondContact OE1-OH 2.99Å; V67-Y103 HydrophobicContact CG1-CD2 4.13Å; V67-Y103 HydrophobicContact CG1-CE2 4.01Å; T101-Y103 HydrophobicContact CG2-CD1 3.78Å; T101-Y103 HydrophobicContact CG2-CE1 3.55Å; Y103-V115 WeakPolarHBondContact CB-O 3.44Å; Y103-V115 HydrophobicContact CD2-CG1 4.25Å; Y103-V115 PolarHBondContact N-O 3.43Å; Y103-K117 HydrophobicContact CE2-CB 4.2Å
104	T	93.9	Very high	92.1	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.135	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	172.1	178.7	-167.4	0	0	0	0	110.4	W34 I36 Y102 F106 V115	W34-T104 HydrophobicContact CB-CG2 3.73Å; I36-T104 WeakPolarHBondContact CG2-OG1 3.42Å; Y102-T104 VanDerWaalsContact CE2-O 3.31Å; Y102-T104 WeakPolarHBondContact CE2-O 3.44Å; T104-F106 HydrophobicContact CG2-CD1 4.45Å; T104-V115 HydrophobicContact CG2-CB 3.91Å; T104-V115 HydrophobicContact CG2-CG2 3.82Å; T104-V115 PolarHBondContact N-O 3.2Å; T104-V115 PolarHBondContact O-N 3.22Å
105	S	92.9	Very high	92.5	Very high	26 Å²	26	37.1 Å²	37.1	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.8	170.5	59.7	0	0	0	0	111.7	I88 Y102 W113	I88-S105 WeakPolarHBondContact CG2-OG 3.48Å; Y102-S105 VanDerWaalsContact OH-CB 3.24Å; Y102-S105 WeakPolarHBondContact OH-CB 3.29Å; Y102-S105 PolarHBondContact OH-N 3.09Å; Y102-S105 PolarHBondContact OH-OG 3.35Å; S105-W113 CarbonylContact C-O 3.55Å; S105-W113 WeakPolarHBondContact CA-O 3.41Å; S105-W113 WeakPolarHBondContact CB-O 3.22Å
106	F	93.3	Very high	92.7	Very high	20 Å²	20	33.7 Å²	33.7	9%	0.088	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	162.5	176.9	53.5	-85.5	0	0	0	110	I36 Y41 T104 V108 W113 V115	I36-F106 HydrophobicContact CB-CB 4.17Å; I36-F106 HydrophobicContact CB-CD1 4.28Å; I36-F106 HydrophobicContact CB-CG 4.39Å; I36-F106 HydrophobicContact CG2-CD1 4.49Å; I36-F106 WeakPolarHBondContact O-CD2 3.4Å; I36-F106 WeakPolarHBondContact O-CG 3.26Å; Y41-F106 HydrophobicContact CD2-CE1 4.12Å; Y41-F106 AromaticContact CD2-CZ 3.7Å; Y41-F106 HydrophobicContact CD2-CZ 3.7Å; Y41-F106 AromaticContact CE2-CE1 3.58Å; Y41-F106 HydrophobicContact CE2-CE1 3.58Å; Y41-F106 AromaticContact CE2-CZ 3.66Å; Y41-F106 HydrophobicContact CE2-CZ 3.66Å; T104-F106 HydrophobicContact CG2-CD1 4.45Å; F106-V108 HydrophobicContact CD2-CG2 3.52Å; F106-V108 HydrophobicContact CE2-CG2 3.34Å; F106-W113 HydrophobicContact CE2-CB 4.33Å; F106-W113 HydrophobicContact CE2-CD2 4.32Å; F106-W113 AromaticContact CE2-CE3 3.88Å; F106-W113 HydrophobicContact CE2-CE3 3.88Å; F106-W113 HydrophobicContact CZ-CB 4.39Å; F106-W113 AromaticContact CZ-CE3 3.77Å; F106-W113 HydrophobicContact CZ-CE3 3.77Å; F106-W113 PolarHBondContact N-O 3.29Å; F106-W113 VanDerWaalsContact N-O 3.1Å; F106-W113 WeakPolarHBondContact O-CB 3.24Å; F106-W113 PolarHBondContact O-N 3.18Å; F106-V115 HydrophobicContact CE1-CG2 3.77Å
107	V	91.6	Very high	92.7	Very high	88 Å²	88	35 Å²	35	53%	0.533	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.7	178.2	178.9	0	0	0	0	109	L74 K109 E111 L112	L74-V107 HydrophobicContact CD1-CG1 4.27Å; L74-V107 HydrophobicContact CD1-CG2 4.49Å; V107-K109 WeakPolarHBondContact CG1-O 3.49Å; V107-E111 WeakPolarHBondContact CA-O 3.21Å; V107-L112 HydrophobicContact CG2-CD1 4.4Å
108	V	92.1	Very high	92.6	Very high	26 Å²	26	32.4 Å²	32.4	16%	0.158	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.6	172.4	-175.8	0	0	0	0	107	R38 F106 D110 E111 W113	R38-V108 HydrophobicContact CB-CG1 4.16Å; R38-V108 HydrophobicContact CB-CG2 4.05Å; R38-V108 HydrophobicContact CG-CG1 4.17Å; F106-V108 HydrophobicContact CD2-CG2 3.52Å; F106-V108 HydrophobicContact CE2-CG2 3.34Å; V108-D110 PolarHBondContact O-N 3.29Å; V108-D110 VanDerWaalsContact O-N 3.17Å; V108-E111 PolarHBondContact N-O 3.07Å; V108-E111 PolarHBondContact O-N 3.02Å; V108-W113 HydrophobicContact CB-CD2 4.3Å; V108-W113 HydrophobicContact CB-CG 4.41Å; V108-W113 HydrophobicContact CG1-CZ2 4.48Å; V108-W113 HydrophobicContact CG2-CD2 3.7Å; V108-W113 HydrophobicContact CG2-CE3 4.13Å; V108-W113 HydrophobicContact CG2-CG 3.9Å; V108-W113 HydrophobicContact CG2-CZ2 4.46Å
109	K	90	Very high	92.4	Very high	158 Å²	158	32.5 Å²	32.5	69%	0.687	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	-116.3	-172.3	-54.8	179.6	-174.2	176.4	0	111.2	V107 E366	V107-K109 WeakPolarHBondContact CG1-O 3.49Å; K109-E366 IonicContact NZ-OE1 2.65Å; K109-E366 PolarHBondContact NZ-OE1 2.72Å
110	D	86.3	Confident	92.1	Very high	53 Å²	53	33.1 Å²	33.1	28%	0.283	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.8	179.4	65.7	-48.2	0	0	0	113.2	N73 L74 E75 V108	N73-D110 PolarHBondContact ND2-OD2 3.24Å; L74-D110 VanDerWaalsContact CB-O 3.27Å; L74-D110 WeakPolarHBondContact CB-O 3.31Å; L74-D110 WeakPolarHBondContact CG-O 3.47Å; L74-D110 PolarHBondContact N-O 3.3Å; E75-D110 HydrophobicContact CG-CB 4.34Å; V108-D110 PolarHBondContact O-N 3.29Å; V108-D110 VanDerWaalsContact O-N 3.17Å
111	E	89.8	Confident	91.9	Very high	26 Å²	26	33 Å²	33	12%	0.121	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.7	-179	-60.8	-176.5	146.9	0	0	112.7	R71 I72 V107 V108 W113	R71-E111 IonicContact CZ-OE1 3.92Å; R71-E111 IonicContact CZ-OE2 2.87Å; R71-E111 VanDerWaalsContact CZ-OE2 3.31Å; R71-E111 IonicContact NE-OE1 3.87Å; R71-E111 PolarHBondContact NE-OE1 3.47Å; R71-E111 IonicContact NE-OE2 2.81Å; R71-E111 PolarHBondContact NE-OE2 3.25Å; R71-E111 VanDerWaalsContact NH2-CD 3.28Å; R71-E111 IonicContact NH2-OE1 2.84Å; R71-E111 PolarHBondContact NH2-OE1 3.03Å; R71-E111 IonicContact NH2-OE2 3.42Å; R71-E111 PolarHBondContact NH2-OE2 2.99Å; I72-E111 CarbonylContact O-C 3.57Å; I72-E111 VanDerWaalsContact O-CA 3.24Å; I72-E111 WeakPolarHBondContact O-CA 3.46Å; V107-E111 WeakPolarHBondContact CA-O 3.21Å; V108-E111 PolarHBondContact N-O 3.07Å; V108-E111 PolarHBondContact O-N 3.02Å; E111-W113 PolarHBondContact OE2-NE1 3.04Å
112	L	90	Very high	91.8	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.6	162.9	173	68.1	0	0	0	109.4	I72 L74 L84 I88 V107 L114	I72-L112 HydrophobicContact CB-CB 4.37Å; I72-L112 HydrophobicContact CD1-CD2 4.48Å; I72-L112 PolarHBondContact N-O 3.03Å; I72-L112 PolarHBondContact O-N 2.92Å; L74-L112 HydrophobicContact CD1-CB 4.47Å; L74-L112 HydrophobicContact CD2-CB 3.65Å; L74-L112 HydrophobicContact CG-CB 4.25Å; L84-L112 HydrophobicContact CD1-CD2 3.99Å; L84-L112 HydrophobicContact CD2-CD2 3.5Å; L84-L112 VanDerWaalsContact CD2-CD2 3.5Å; L84-L112 HydrophobicContact CG-CD2 3.76Å; I88-L112 HydrophobicContact CD1-CD1 4.13Å; I88-L112 HydrophobicContact CD1-CD2 3.65Å; V107-L112 HydrophobicContact CG2-CD1 4.4Å; L112-L114 HydrophobicContact CD1-CD2 4.43Å; L112-L114 HydrophobicContact CD2-CD2 3.94Å; L112-L114 HydrophobicContact CD2-CG 4.48Å; L112-L114 HydrophobicContact CG-CD2 4.08Å; L112-L114 HydrophobicContact CG-CG 4.5Å
113	W	93.6	Very high	91.9	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.6	175.4	-74	29.5	0	0	0	109.8	L43 I69 K70 R71 S105 F106 V108 E111	L43-W113 HydrophobicContact CD1-CH2 3.65Å; L43-W113 HydrophobicContact CD1-CZ2 4.12Å; L43-W113 HydrophobicContact CD2-CH2 3.64Å; L43-W113 HydrophobicContact CD2-CZ3 3.94Å; L43-W113 HydrophobicContact CG-CH2 3.8Å; L43-W113 HydrophobicContact CG-CZ3 4.42Å; I69-W113 HydrophobicContact CD1-CE3 3.86Å; I69-W113 HydrophobicContact CD1-CZ3 3.75Å; I69-W113 HydrophobicContact CG2-CB 3.99Å; I69-W113 HydrophobicContact CG2-CD2 3.75Å; I69-W113 HydrophobicContact CG2-CE3 3.56Å; I69-W113 HydrophobicContact CG2-CG 3.97Å; I69-W113 HydrophobicContact CG2-CZ3 4.16Å; K70-W113 WeakPolarHBondContact O-CA 3.31Å; R71-W113 HydrophobicContact CG-CD2 4.25Å; R71-W113 HydrophobicContact CG-CG 4.31Å; R71-W113 HydrophobicContact CG-CZ2 4.2Å; S105-W113 CarbonylContact C-O 3.55Å; S105-W113 WeakPolarHBondContact CA-O 3.41Å; S105-W113 WeakPolarHBondContact CB-O 3.22Å; F106-W113 HydrophobicContact CE2-CB 4.33Å; F106-W113 HydrophobicContact CE2-CD2 4.32Å; F106-W113 AromaticContact CE2-CE3 3.88Å; F106-W113 HydrophobicContact CE2-CE3 3.88Å; F106-W113 HydrophobicContact CZ-CB 4.39Å; F106-W113 AromaticContact CZ-CE3 3.77Å; F106-W113 HydrophobicContact CZ-CE3 3.77Å; F106-W113 PolarHBondContact N-O 3.29Å; F106-W113 VanDerWaalsContact N-O 3.1Å; F106-W113 WeakPolarHBondContact O-CB 3.24Å; F106-W113 PolarHBondContact O-N 3.18Å; V108-W113 HydrophobicContact CB-CD2 4.3Å; V108-W113 HydrophobicContact CB-CG 4.41Å; V108-W113 HydrophobicContact CG1-CZ2 4.48Å; V108-W113 HydrophobicContact CG2-CD2 3.7Å; V108-W113 HydrophobicContact CG2-CE3 4.13Å; V108-W113 HydrophobicContact CG2-CG 3.9Å; V108-W113 HydrophobicContact CG2-CZ2 4.46Å; E111-W113 PolarHBondContact OE2-NE1 3.04Å
114	L	92.6	Very high	92	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.6	170.7	-54.5	178.2	0	0	0	108.8	I69 K70 I72 I88 M91 Y102 L112 M116 V191	I69-L114 WeakPolarHBondContact CA-O 3.47Å; K70-L114 HydrophobicContact CB-CB 4.25Å; K70-L114 PolarHBondContact N-O 3Å; K70-L114 PolarHBondContact O-N 2.88Å; I72-L114 HydrophobicContact CD1-CD1 3.81Å; I72-L114 HydrophobicContact CD1-CG 4.32Å; I88-L114 HydrophobicContact CD1-CD2 4.29Å; I88-L114 HydrophobicContact CG1-CD2 4.19Å; M91-L114 HydrophobicContact CE-CD1 4.44Å; Y102-L114 HydrophobicContact CE2-CD2 4.14Å; L112-L114 HydrophobicContact CD1-CD2 4.43Å; L112-L114 HydrophobicContact CD2-CD2 3.94Å; L112-L114 HydrophobicContact CD2-CG 4.48Å; L112-L114 HydrophobicContact CG-CD2 4.08Å; L112-L114 HydrophobicContact CG-CG 4.5Å; L114-M116 HydrophobicContact CB-CE 3.88Å; L114-V191 HydrophobicContact CD1-CB 4.28Å; L114-V191 HydrophobicContact CD1-CG1 4.42Å
115	V	95	Very high	91.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.1	177.7	-171.6	0	0	0	0	108.7	Y41 V67 I69 Y103 T104 F106	Y41-V115 HydrophobicContact CE1-CG1 3.78Å; Y41-V115 HydrophobicContact CE1-CG2 4.14Å; Y41-V115 HydrophobicContact CE2-CG2 4.44Å; V67-V115 HydrophobicContact CB-CG1 4Å; V67-V115 HydrophobicContact CG1-CG1 4.16Å; V67-V115 HydrophobicContact CG2-CG1 3.92Å; I69-V115 HydrophobicContact CG1-CG2 4.46Å; Y103-V115 WeakPolarHBondContact CB-O 3.44Å; Y103-V115 HydrophobicContact CD2-CG1 4.25Å; Y103-V115 PolarHBondContact N-O 3.43Å; T104-V115 HydrophobicContact CG2-CB 3.91Å; T104-V115 HydrophobicContact CG2-CG2 3.82Å; T104-V115 PolarHBondContact N-O 3.2Å; T104-V115 PolarHBondContact O-N 3.22Å; F106-V115 HydrophobicContact CE1-CG2 3.77Å
116	M	94.3	Very high	91.7	Very high	21 Å²	21	30.8 Å²	30.8	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	165	-175.7	65.4	-168.5	71.6	0	0	111.8	A68 K70 V100 T101 L114 L118	A68-M116 HydrophobicContact CB-CG 3.78Å; A68-M116 PolarHBondContact N-O 3.29Å; A68-M116 WeakPolarHBondContact O-CG 3.46Å; A68-M116 PolarHBondContact O-N 3.07Å; K70-M116 HydrophobicContact CB-CE 3.56Å; K70-M116 HydrophobicContact CD-CE 4.35Å; V100-M116 HydrophobicContact CG1-CB 4.13Å; V100-M116 HydrophobicContact CG1-CG 4.4Å; V100-M116 HydrophobicContact CG1-SD 4.43Å; T101-M116 VanDerWaalsContact O-CA 3.32Å; T101-M116 WeakPolarHBondContact O-CA 3.48Å; T101-M116 WeakPolarHBondContact O-CB 3.32Å; L114-M116 HydrophobicContact CB-CE 3.88Å; M116-L118 PolarHBondContact O-N 3.23Å
117	K	93.9	Very high	91.6	Very high	62 Å²	62	29.8 Å²	29.8	27%	0.27	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	131	175	-176.6	177.4	-179.9	-176	0	110.7	T101 Y103 L119	T101-K117 PolarHBondContact O-N 3.39Å; Y103-K117 HydrophobicContact CE2-CB 4.2Å; K117-L119 HydrophobicContact CD-CD2 4.3Å
118	L	93.9	Very high	91.6	Very high	21 Å²	21	25.8 Å²	25.8	11%	0.11	13%	0.131	C	C	.	.			trans	-78.8	129.6	172	-177.2	61.8	0	0	0	110.3	I47 R66 A68 M116 I335	I47-L118 HydrophobicContact CD1-CD1 3.46Å; I47-L118 VanDerWaalsContact CD1-CD1 3.46Å; R66-L118 HydrophobicContact CB-CD2 3.96Å; A68-L118 HydrophobicContact CB-CD1 3.99Å; M116-L118 PolarHBondContact O-N 3.23Å; L118-I335 HydrophobicContact CD1-CD1 4.25Å
119	L	93.3	Very high	91.5	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.052	15%	0.146	C	C	.	.			trans	-117.1	94.9	175.5	-68.7	176.9	0	0	0	110.1	V100 K117 G121 G122 L177 L178 Q185	V100-L119 HydrophobicContact CG2-CD1 3.83Å; K117-L119 HydrophobicContact CD-CD2 4.3Å; L119-G121 PolarHBondContact O-N 2.59Å; L119-G122 PolarHBondContact O-N 3.11Å; L119-L177 HydrophobicContact CB-CB 4.07Å; L119-L177 HydrophobicContact CB-CD1 4.41Å; L119-L177 HydrophobicContact CD1-CB 3.34Å; L119-L177 HydrophobicContact CD1-CD1 4.01Å; L119-L177 HydrophobicContact CD1-CG 4.31Å; L119-L177 HydrophobicContact CG-CB 4.37Å; L119-L178 CarbonylContact C-O 3.51Å; L119-L178 WeakPolarHBondContact CB-O 3.45Å; L119-Q185 HydrophobicContact CD1-CB 3.8Å; L119-Q185 HydrophobicContact CD1-CG 4.02Å
120	S	89.8	Confident	91.4	Very high	17 Å²	17	25.3 Å²	25.3	12%	0.119	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.1	-171.7	-35.3	0	0	0	0	115	G122 E180 I335	S120-G122 PolarHBondContact O-N 3.37Å; S120-E180 WeakPolarHBondContact CB-OE1 3.49Å; S120-E180 PolarHBondContact OG-OE1 2.99Å; S120-I335 WeakPolarHBondContact O-CB 3.34Å
121	G	88.1	Confident	91.6	Very high	5 Å²	5	23.7 Å²	23.7	5%	0.052	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.8	172.5	0	0	0	0	0	112.6	L119 L178 R338	L119-G121 PolarHBondContact O-N 2.59Å; G121-L178 WeakPolarHBondContact CA-O 3.4Å; G121-L178 PolarHBondContact N-O 3.47Å; G121-R338 VanDerWaalsContact O-CZ 3.31Å; G121-R338 PolarHBondContact O-NH1 2.91Å; G121-R338 PolarHBondContact O-NH2 2.85Å
122	G	89.6	Confident	91.7	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.3	-164.6	-178.5	0	0	0	0	0	113.1	L119 S120 L177 L178	L119-G122 PolarHBondContact O-N 3.11Å; S120-G122 PolarHBondContact O-N 3.37Å; G122-L177 WeakPolarHBondContact O-CA 3.49Å; G122-L178 PolarHBondContact O-N 2.86Å
123	S	92.3	Very high	91.6	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	158	-173.1	71.4	0	0	0	0	113.1	L125 D126 I127 G174 I176	S123-L125 PolarHBondContact O-N 3.43Å; S123-L125 PolarHBondContact OG-N 2.62Å; S123-D126 PolarHBondContact N-OD2 2.88Å; S123-D126 WeakPolarHBondContact O-CB 3.4Å; S123-D126 PolarHBondContact O-N 2.99Å; S123-D126 VanDerWaalsContact O-N 3.08Å; S123-D126 PolarHBondContact OG-N 2.99Å; S123-D126 VanDerWaalsContact OG-N 3.14Å; S123-D126 PolarHBondContact OG-OD2 3.26Å; S123-I127 PolarHBondContact O-N 3.4Å; S123-G174 WeakPolarHBondContact CB-O 3.45Å; S123-I176 CarbonylContact C-O 3.57Å; S123-I176 VanDerWaalsContact CA-O 3.29Å; S123-I176 WeakPolarHBondContact CA-O 3.45Å
124	M	94.9	Very high	91.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-28	169.5	-70.3	-54.3	-49.7	0	0	112.4	D126 I127 I128 L142 I150 A173 I176 L178 L244 L328	M124-D126 VanDerWaalsContact C-N 3.33Å; M124-I127 HydrophobicContact CE-CB 4.31Å; M124-I127 HydrophobicContact CE-CD1 4.27Å; M124-I127 HydrophobicContact CE-CG2 4.32Å; M124-I127 PolarHBondContact O-N 2.71Å; M124-I127 HydrophobicContact SD-CD1 3.99Å; M124-I128 VanDerWaalsContact O-CG1 3.26Å; M124-I128 WeakPolarHBondContact O-CG1 3.48Å; M124-I128 PolarHBondContact O-N 2.97Å; M124-L142 HydrophobicContact CE-CD1 3.55Å; M124-I150 HydrophobicContact CE-CD1 3.46Å; M124-I150 VanDerWaalsContact CE-CD1 3.46Å; M124-I150 HydrophobicContact CG-CG2 4.34Å; M124-I150 HydrophobicContact SD-CD1 3.56Å; M124-I150 VanDerWaalsContact SD-CD1 3.56Å; M124-I150 HydrophobicContact SD-CG1 4.4Å; M124-A173 HydrophobicContact CB-CB 3.93Å; M124-A173 WeakPolarHBondContact CB-O 3.28Å; M124-A173 PolarHBondContact N-O 2.78Å; M124-I176 HydrophobicContact CB-CB 4.34Å; M124-I176 HydrophobicContact CG-CB 3.88Å; M124-I176 HydrophobicContact CG-CG2 3.63Å; M124-I176 PolarHBondContact N-O 3.38Å; M124-L178 HydrophobicContact SD-CD1 3.83Å; M124-L178 HydrophobicContact SD-CD2 4.28Å; M124-L178 HydrophobicContact SD-CG 4.08Å; M124-L244 HydrophobicContact CB-CD2 3.88Å; M124-L244 HydrophobicContact CE-CD2 3.96Å; M124-L244 HydrophobicContact CG-CD2 4.23Å; M124-L328 HydrophobicContact CE-CD1 4.28Å
125	L	91.6	Very high	91.2	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.267	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-37.9	172.9	-179.3	61.9	0	0	0	112.1	S123 I127 I128 K129 A173	S123-L125 PolarHBondContact O-N 3.43Å; S123-L125 PolarHBondContact OG-N 2.62Å; L125-I127 VanDerWaalsContact C-N 3.33Å; L125-I128 PolarHBondContact O-N 2.87Å; L125-K129 HydrophobicContact CG-CD 4.38Å; L125-K129 WeakPolarHBondContact O-CB 3.25Å; L125-K129 WeakPolarHBondContact O-CG 3.31Å; L125-K129 PolarHBondContact O-N 2.95Å; L125-A173 PolarHBondContact N-O 2.86Å
126	D	89.2	Confident	90.9	Very high	56 Å²	56	43.1 Å²	43.1	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-40.7	176.2	-58	-44.7	0	0	0	111.2	S123 M124 K129 Y130 R338	S123-D126 PolarHBondContact N-OD2 2.88Å; S123-D126 WeakPolarHBondContact O-CB 3.4Å; S123-D126 PolarHBondContact O-N 2.99Å; S123-D126 VanDerWaalsContact O-N 3.08Å; S123-D126 PolarHBondContact OG-N 2.99Å; S123-D126 VanDerWaalsContact OG-N 3.14Å; S123-D126 PolarHBondContact OG-OD2 3.26Å; M124-D126 VanDerWaalsContact C-N 3.33Å; D126-K129 PolarHBondContact O-N 3.18Å; D126-Y130 WeakPolarHBondContact O-CB 3.32Å; D126-Y130 PolarHBondContact O-N 3Å; D126-R338 IonicContact OD2-NH1 3.93Å
127	I	91.4	Very high	90.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-45.2	176.3	-61.2	-172.4	0	0	0	110.7	S123 M124 L125 K129 Y130 I131 L178 L328 T332	S123-I127 PolarHBondContact O-N 3.4Å; M124-I127 HydrophobicContact CE-CB 4.31Å; M124-I127 HydrophobicContact CE-CD1 4.27Å; M124-I127 HydrophobicContact CE-CG2 4.32Å; M124-I127 PolarHBondContact O-N 2.71Å; M124-I127 HydrophobicContact SD-CD1 3.99Å; L125-I127 VanDerWaalsContact C-N 3.33Å; I127-K129 PolarHBondContact O-N 3.34Å; I127-Y130 PolarHBondContact O-N 3.33Å; I127-I131 HydrophobicContact CG2-CD1 3.89Å; I127-I131 WeakPolarHBondContact O-CG1 2.83Å; I127-I131 PolarHBondContact O-N 3.02Å; I127-L178 HydrophobicContact CD1-CD1 3.44Å; I127-L178 VanDerWaalsContact CD1-CD1 3.44Å; I127-L328 HydrophobicContact CD1-CB 4.37Å; I127-L328 HydrophobicContact CD1-CD1 4.24Å; I127-L328 HydrophobicContact CG2-CD2 4.07Å; I127-T332 HydrophobicContact CB-CG2 4.49Å; I127-T332 HydrophobicContact CG1-CG2 4.1Å; I127-T332 HydrophobicContact CG2-CG2 4.21Å
128	I	92.3	Very high	90.3	Very high	3 Å²	3	49 Å²	49	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-52.4	174.3	-72.1	164.7	0	0	0	110.1	M124 L125 Y130 I131 V132 V141 A173 E243 L244 G247	M124-I128 VanDerWaalsContact O-CG1 3.26Å; M124-I128 WeakPolarHBondContact O-CG1 3.48Å; M124-I128 PolarHBondContact O-N 2.97Å; L125-I128 PolarHBondContact O-N 2.87Å; I128-Y130 VanDerWaalsContact C-N 3.28Å; I128-Y130 PolarHBondContact O-N 3.31Å; I128-I131 PolarHBondContact O-N 3.07Å; I128-V132 HydrophobicContact CG2-CG2 4.13Å; I128-V132 WeakPolarHBondContact O-CB 3.47Å; I128-V132 VanDerWaalsContact O-CG2 3.27Å; I128-V132 WeakPolarHBondContact O-CG2 2.99Å; I128-V132 PolarHBondContact O-N 2.94Å; I128-V141 HydrophobicContact CB-CG1 4.46Å; I128-V141 HydrophobicContact CG1-CG1 4.12Å; I128-V141 HydrophobicContact CG2-CG1 4.45Å; I128-A173 HydrophobicContact CD1-CB 3.86Å; I128-E243 HydrophobicContact CD1-CG 4.04Å; I128-L244 HydrophobicContact CD1-CD2 4.18Å; I128-G247 VanDerWaalsContact CG2-CA 3.48Å; I128-G247 WeakPolarHBondContact CG2-O 3.43Å
129	K	89.3	Confident	90	Very high	109 Å²	109	53.7 Å²	53.7	47%	0.474	27%	0.269	S	S	.	.	H	α-helix	trans	-57.4	-42.4	179.4	-75.7	173.6	178.5	175.3	0	111.5	L125 D126 I127 V132 N133	L125-K129 HydrophobicContact CG-CD 4.38Å; L125-K129 WeakPolarHBondContact O-CB 3.25Å; L125-K129 WeakPolarHBondContact O-CG 3.31Å; L125-K129 PolarHBondContact O-N 2.95Å; D126-K129 PolarHBondContact O-N 3.18Å; I127-K129 PolarHBondContact O-N 3.34Å; K129-V132 PolarHBondContact O-N 3.04Å; K129-N133 VanDerWaalsContact O-CB 3.27Å; K129-N133 WeakPolarHBondContact O-CB 3.5Å; K129-N133 PolarHBondContact O-N 3.33Å; K129-N133 PolarHBondContact O-ND2 3.28Å
130	Y	89.4	Confident	89.9	Confident	66 Å²	66	53.5 Å²	53.5	26%	0.259	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-48.9	177.4	179.9	-97.3	0	0	0	112.4	D126 I127 I128 N133 R134 R331 T332 P333	D126-Y130 WeakPolarHBondContact O-CB 3.32Å; D126-Y130 PolarHBondContact O-N 3Å; I127-Y130 PolarHBondContact O-N 3.33Å; I128-Y130 VanDerWaalsContact C-N 3.28Å; I128-Y130 PolarHBondContact O-N 3.31Å; Y130-N133 PolarHBondContact O-N 3.29Å; Y130-R134 VanDerWaalsContact CE1-CD 3.5Å; Y130-R134 VanDerWaalsContact CZ-CD 3.45Å; Y130-R134 WeakPolarHBondContact O-CG 3.45Å; Y130-R134 PolarHBondContact O-N 3.23Å; Y130-R134 PolarHBondContact OH-NH1 3.1Å; Y130-R331 WeakPolarHBondContact CE1-O 3.45Å; Y130-R331 VanDerWaalsContact CZ-O 3.24Å; Y130-R331 PolarHBondContact OH-O 3.32Å; Y130-R331 VanDerWaalsContact OH-O 3.1Å; Y130-T332 HydrophobicContact CD1-CG2 3.85Å; Y130-T332 HydrophobicContact CE1-CG2 4.34Å; Y130-T332 HydrophobicContact CG-CG2 4.3Å; Y130-P333 VanDerWaalsContact CD2-CD 3.47Å; Y130-P333 HydrophobicContact CD2-CG 4.03Å; Y130-P333 VanDerWaalsContact CE2-CD 3.49Å; Y130-P333 HydrophobicContact CE2-CG 4.2Å
131	I	90.5	Very high	90.1	Very high	19 Å²	19	53.2 Å²	53.2	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-42.1	178.8	-65.7	168.8	0	0	0	110.9	I127 I128 R134 G135 E136 H137 V141 L142	I127-I131 HydrophobicContact CG2-CD1 3.89Å; I127-I131 WeakPolarHBondContact O-CG1 2.83Å; I127-I131 PolarHBondContact O-N 3.02Å; I128-I131 PolarHBondContact O-N 3.07Å; I131-R134 PolarHBondContact O-N 3.33Å; I131-G135 PolarHBondContact O-N 3.09Å; I131-E136 HydrophobicContact CG2-CB 3.94Å; I131-E136 PolarHBondContact O-N 3.08Å; I131-E136 VanDerWaalsContact O-N 3.15Å; I131-H137 HydrophobicContact CG2-CB 4.42Å; I131-V141 HydrophobicContact CB-CG1 4.09Å; I131-V141 HydrophobicContact CD1-CG1 3.92Å; I131-V141 HydrophobicContact CG2-CG1 3.93Å; I131-L142 HydrophobicContact CD1-CD2 3.63Å
132	V	89.9	Confident	90.4	Very high	50 Å²	50	53.2 Å²	53.2	30%	0.303	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-47.4	179.5	170.8	0	0	0	0	110.9	I128 K129 R134 G135 H137 V141	I128-V132 HydrophobicContact CG2-CG2 4.13Å; I128-V132 WeakPolarHBondContact O-CB 3.47Å; I128-V132 VanDerWaalsContact O-CG2 3.27Å; I128-V132 WeakPolarHBondContact O-CG2 2.99Å; I128-V132 PolarHBondContact O-N 2.94Å; K129-V132 PolarHBondContact O-N 3.04Å; V132-R134 PolarHBondContact O-N 3.18Å; V132-G135 PolarHBondContact O-N 3.46Å; V132-H137 WeakPolarHBondContact CA-ND1 3.33Å; V132-H137 HydrophobicContact CG2-CB 4.17Å; V132-H137 PolarHBondContact O-CE1 2.79Å; V132-H137 PolarHBondContact O-ND1 3.26Å; V132-V141 HydrophobicContact CG2-CG2 4.36Å
133	N	89.1	Confident	90.7	Very high	139 Å²	139	56.4 Å²	56.4	74%	0.743	28%	0.278	S	S	*	.	H	α-helix	trans	-63.6	-26	179.6	-71.1	-13.3	0	0	0	113.2	K129 Y130 G135	K129-N133 VanDerWaalsContact O-CB 3.27Å; K129-N133 WeakPolarHBondContact O-CB 3.5Å; K129-N133 PolarHBondContact O-N 3.33Å; K129-N133 PolarHBondContact O-ND2 3.28Å; Y130-N133 PolarHBondContact O-N 3.29Å; N133-G135 VanDerWaalsContact C-N 3.31Å
134	R	88.9	Confident	91	Very high	139 Å²	139	57.1 Å²	57.1	53%	0.525	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	173.1	-72.1	-177.2	57.9	150.8	2.3	113.8	Y130 I131 V132 E136	Y130-R134 VanDerWaalsContact CE1-CD 3.5Å; Y130-R134 VanDerWaalsContact CZ-CD 3.45Å; Y130-R134 WeakPolarHBondContact O-CG 3.45Å; Y130-R134 PolarHBondContact O-N 3.23Å; Y130-R134 PolarHBondContact OH-NH1 3.1Å; I131-R134 PolarHBondContact O-N 3.33Å; V132-R134 PolarHBondContact O-N 3.18Å; R134-E136 HydrophobicContact CB-CG 4.05Å; R134-E136 IonicContact CZ-OE1 3.45Å; R134-E136 IonicContact NE-OE1 2.73Å; R134-E136 PolarHBondContact NE-OE1 3.44Å; R134-E136 IonicContact NH2-OE1 3.82Å; R134-E136 PolarHBondContact NH2-OE1 3.39Å; R134-E136 PolarHBondContact O-N 3.09Å
135	G	88.6	Confident	91.1	Very high	32 Å²	32	57.8 Å²	57.8	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	14.8	-177.1	0	0	0	0	0	114.2	I131 V132 N133 H137	I131-G135 PolarHBondContact O-N 3.09Å; V132-G135 PolarHBondContact O-N 3.46Å; N133-G135 VanDerWaalsContact C-N 3.31Å; G135-H137 PolarHBondContact O-N 3.3Å
136	E	89.3	Confident	91.4	Very high	89 Å²	89	55.8 Å²	55.8	42%	0.416	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.5	-176	-70.3	176.1	-166.6	0	0	113.1	I131 R134	I131-E136 HydrophobicContact CG2-CB 3.94Å; I131-E136 PolarHBondContact O-N 3.08Å; I131-E136 VanDerWaalsContact O-N 3.15Å; R134-E136 HydrophobicContact CB-CG 4.05Å; R134-E136 IonicContact CZ-OE1 3.45Å; R134-E136 IonicContact NE-OE1 2.73Å; R134-E136 PolarHBondContact NE-OE1 3.44Å; R134-E136 IonicContact NH2-OE1 3.82Å; R134-E136 PolarHBondContact NH2-OE1 3.39Å; R134-E136 PolarHBondContact O-N 3.09Å
137	H	89.5	Confident	91.9	Very high	54 Å²	54	53.1 Å²	53.1	25%	0.25	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.3	-176.7	64.1	-80.7	0	0	0	114.4	I131 V132 G135 N139 G140 V141 M280	I131-H137 HydrophobicContact CG2-CB 4.42Å; V132-H137 WeakPolarHBondContact CA-ND1 3.33Å; V132-H137 HydrophobicContact CG2-CB 4.17Å; V132-H137 PolarHBondContact O-CE1 2.79Å; V132-H137 PolarHBondContact O-ND1 3.26Å; G135-H137 PolarHBondContact O-N 3.3Å; H137-N139 PolarHBondContact O-N 3.46Å; H137-N139 VanDerWaalsContact O-N 3.14Å; H137-G140 WeakPolarHBondContact O-CA 3.13Å; H137-G140 PolarHBondContact O-N 2.91Å; H137-V141 HydrophobicContact CB-CG2 3.89Å; H137-M280 WeakPolarHBondContact O-CE 3.39Å
138	K	85.5	Confident	92.2	Very high	153 Å²	153	53.1 Å²	53.1	67%	0.665	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.4	-174.1	-69.6	-176.5	-179.2	-178.1	0	114.1	M280	K138-M280 VanDerWaalsContact O-CG 3.25Å; K138-M280 WeakPolarHBondContact O-CG 3.48Å
139	N	88.1	Confident	92.5	Very high	119 Å²	119	53.3 Å²	53.3	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	35.6	173.7	-70.7	-16.5	0	0	0	110.9	H137 M280 K283	H137-N139 PolarHBondContact O-N 3.46Å; H137-N139 VanDerWaalsContact O-N 3.14Å; N139-M280 CarbonylContact C-O 3.57Å; N139-K283 WeakPolarHBondContact O-CD 3.37Å; N139-K283 WeakPolarHBondContact O-CE 3.37Å; N139-K283 PolarHBondContact O-NZ 2.86Å
140	G	90.2	Very high	93	Very high	5 Å²	5	48.1 Å²	48.1	5%	0.052	24%	0.24	C	C	.	.			trans	81.1	150.2	-172.6	0	0	0	0	0	113.1	H137 A245 K283 Y284	H137-G140 WeakPolarHBondContact O-CA 3.13Å; H137-G140 PolarHBondContact O-N 2.91Å; G140-A245 WeakPolarHBondContact CA-O 3.47Å; G140-K283 PolarHBondContact O-NZ 3.39Å; G140-Y284 WeakPolarHBondContact CA-OH 3.36Å
141	V	93.6	Very high	93.4	Very high	12 Å²	12	45 Å²	45	7%	0.073	23%	0.228	C	C	.	.	S	Bend	trans	-70.6	-55.3	-167.7	-176.3	0	0	0	0	112.7	I128 I131 V132 H137 A245	I128-V141 HydrophobicContact CB-CG1 4.46Å; I128-V141 HydrophobicContact CG1-CG1 4.12Å; I128-V141 HydrophobicContact CG2-CG1 4.45Å; I131-V141 HydrophobicContact CB-CG1 4.09Å; I131-V141 HydrophobicContact CD1-CG1 3.92Å; I131-V141 HydrophobicContact CG2-CG1 3.93Å; V132-V141 HydrophobicContact CG2-CG2 4.36Å; H137-V141 HydrophobicContact CB-CG2 3.89Å; V141-A245 PolarHBondContact N-O 3.19Å
142	L	95.9	Very high	93.8	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	24%	0.239	C	C	.	.	S	Bend	trans	-114.4	154.2	-179	-61	178.3	0	0	0	111.3	M124 I131 I146 I147 L244 K283 Y284 L328	M124-L142 HydrophobicContact CE-CD1 3.55Å; I131-L142 HydrophobicContact CD1-CD2 3.63Å; L142-I146 HydrophobicContact CB-CG2 4.46Å; L142-I146 HydrophobicContact CD1-CG2 4.2Å; L142-I146 HydrophobicContact CD2-CG2 4.32Å; L142-I147 HydrophobicContact CB-CD1 4.01Å; L142-I147 HydrophobicContact CB-CG1 3.65Å; L142-I147 HydrophobicContact CD1-CG1 4.39Å; L142-L244 WeakPolarHBondContact CB-O 3.32Å; L142-L244 HydrophobicContact CD1-CB 4.2Å; L142-L244 HydrophobicContact CD1-CD2 4Å; L142-L244 WeakPolarHBondContact CG-O 3.5Å; L142-L244 PolarHBondContact N-O 3.48Å; L142-K283 WeakPolarHBondContact O-CE 3.5Å; L142-K283 PolarHBondContact O-NZ 3.3Å; L142-Y284 WeakPolarHBondContact O-CE1 3.28Å; L142-Y284 PolarHBondContact O-OH 3.11Å; L142-L328 HydrophobicContact CD2-CD2 4Å
143	E	95.8	Very high	94.2	Very high	75 Å²	75	47.4 Å²	47.4	35%	0.35	23%	0.234	S	C	.	.			trans	-81.3	152.9	171.3	56.8	174.6	165.5	0	0	111.4	A145 I146 I147 Y323	E143-A145 PolarHBondContact O-N 2.98Å; E143-A145 VanDerWaalsContact O-N 3.14Å; E143-I146 HydrophobicContact CG-CB 3.94Å; E143-I146 HydrophobicContact CG-CD1 3.59Å; E143-I146 HydrophobicContact CG-CG1 3.53Å; E143-I146 PolarHBondContact O-N 3.27Å; E143-I146 WeakPolarHBondContact OE1-CD1 3.3Å; E143-I146 WeakPolarHBondContact OE1-CG1 3.47Å; E143-I147 WeakPolarHBondContact O-CG1 3.45Å; E143-I147 PolarHBondContact O-N 3.45Å; E143-Y323 VanDerWaalsContact CD-OH 3.3Å; E143-Y323 PolarHBondContact OE1-OH 2.74Å; E143-Y323 PolarHBondContact OE2-OH 3.45Å
144	E	97.9	Very high	94.7	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-30.6	-176.7	-71.2	-173.1	136.5	0	0	113.4	A148 Y284 G285 F288 F314 K317	E144-A148 WeakPolarHBondContact O-CB 3.31Å; E144-A148 PolarHBondContact O-N 2.86Å; E144-Y284 HydrophobicContact CG-CD1 3.72Å; E144-Y284 HydrophobicContact CG-CE1 4.34Å; E144-Y284 WeakPolarHBondContact OE1-CA 3.46Å; E144-G285 PolarHBondContact OE1-N 3.08Å; E144-F288 VanDerWaalsContact OE1-CB 3.31Å; E144-F288 WeakPolarHBondContact OE1-CB 3.44Å; E144-F314 HydrophobicContact CB-CE2 3.94Å; E144-F314 HydrophobicContact CB-CZ 4.42Å; E144-F314 HydrophobicContact CG-CE2 4.08Å; E144-K317 HydrophobicContact CB-CD 4.05Å; E144-K317 IonicContact OE2-NZ 2.57Å; E144-K317 PolarHBondContact OE2-NZ 3.01Å
145	A	98	Very high	95.1	Very high	15 Å²	15	34.2 Å²	34.2	12%	0.124	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-44.4	176.5	0	0	0	0	0	111.7	E143 T149 K319 Y323	E143-A145 PolarHBondContact O-N 2.98Å; E143-A145 VanDerWaalsContact O-N 3.14Å; A145-T149 WeakPolarHBondContact O-CB 3.47Å; A145-T149 PolarHBondContact O-N 2.85Å; A145-T149 PolarHBondContact O-OG1 3.39Å; A145-K319 HydrophobicContact CB-CG 4.45Å; A145-Y323 HydrophobicContact CB-CE1 4.28Å
146	I	97.9	Very high	95.6	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.046	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-49.1	175.6	-68.1	177.2	0	0	0	110	L142 E143 A148 T149 I150 Y323 L324 K327 L328	L142-I146 HydrophobicContact CB-CG2 4.46Å; L142-I146 HydrophobicContact CD1-CG2 4.2Å; L142-I146 HydrophobicContact CD2-CG2 4.32Å; E143-I146 HydrophobicContact CG-CB 3.94Å; E143-I146 HydrophobicContact CG-CD1 3.59Å; E143-I146 HydrophobicContact CG-CG1 3.53Å; E143-I146 PolarHBondContact O-N 3.27Å; E143-I146 WeakPolarHBondContact OE1-CD1 3.3Å; E143-I146 WeakPolarHBondContact OE1-CG1 3.47Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.21Å; I146-T149 PolarHBondContact O-N 2.8Å; I146-T149 VanDerWaalsContact O-N 3.14Å; I146-I150 HydrophobicContact CG2-CD1 3.6Å; I146-I150 WeakPolarHBondContact O-CG1 3.41Å; I146-I150 PolarHBondContact O-N 3.1Å; I146-Y323 HydrophobicContact CG1-CE1 3.8Å; I146-L324 HydrophobicContact CG2-CD2 4.25Å; I146-K327 HydrophobicContact CD1-CB 3.93Å; I146-L328 HydrophobicContact CD1-CD2 3.88Å; I146-L328 HydrophobicContact CD1-CG 4.18Å; I146-L328 HydrophobicContact CG2-CD1 3.7Å; I146-L328 HydrophobicContact CG2-CD2 4.23Å; I146-L328 HydrophobicContact CG2-CG 4.15Å
147	I	98.5	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-47.6	178.5	-63.4	175.9	0	0	0	110.4	L142 E143 T149 I150 L151 L244 A245 Y284 F288 F314	L142-I147 HydrophobicContact CB-CD1 4.01Å; L142-I147 HydrophobicContact CB-CG1 3.65Å; L142-I147 HydrophobicContact CD1-CG1 4.39Å; E143-I147 WeakPolarHBondContact O-CG1 3.45Å; E143-I147 PolarHBondContact O-N 3.45Å; I147-T149 VanDerWaalsContact C-N 3.31Å; I147-T149 PolarHBondContact O-N 3.48Å; I147-I150 PolarHBondContact O-N 3.24Å; I147-L151 HydrophobicContact CG2-CD1 3.5Å; I147-L151 HydrophobicContact CG2-CG 4.01Å; I147-L151 VanDerWaalsContact O-CB 3.22Å; I147-L151 WeakPolarHBondContact O-CB 3.47Å; I147-L151 VanDerWaalsContact O-CG 3.29Å; I147-L151 WeakPolarHBondContact O-CG 3.47Å; I147-L151 PolarHBondContact O-N 3.29Å; I147-L244 HydrophobicContact CD1-CB 4.38Å; I147-L244 HydrophobicContact CG1-CB 4.19Å; I147-L244 HydrophobicContact CG2-CD1 4.36Å; I147-A245 HydrophobicContact CD1-CB 4.02Å; I147-Y284 HydrophobicContact CD1-CE1 3.82Å; I147-F288 HydrophobicContact CD1-CZ 4.42Å; I147-F288 HydrophobicContact CG2-CE2 3.87Å; I147-F288 HydrophobicContact CG2-CZ 4.27Å; I147-F314 HydrophobicContact CB-CZ 4.24Å; I147-F314 HydrophobicContact CG2-CE1 4.2Å; I147-F314 HydrophobicContact CG2-CZ 3.93Å
148	A	98.7	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-39.1	178.3	0	0	0	0	0	112.3	E144 I146 K152 F314 K317 A318	E144-A148 WeakPolarHBondContact O-CB 3.31Å; E144-A148 PolarHBondContact O-N 2.86Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.21Å; A148-K152 WeakPolarHBondContact O-CB 3.2Å; A148-K152 PolarHBondContact O-N 2.78Å; A148-F314 HydrophobicContact CB-CD1 4.1Å; A148-F314 HydrophobicContact CB-CE1 3.62Å; A148-F314 HydrophobicContact CB-CZ 3.88Å; A148-K317 HydrophobicContact CB-CB 4Å; A148-A318 HydrophobicContact CB-CB 4.29Å
149	T	98.6	Very high	97	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-49.5	178.9	-51.8	0	0	0	0	111	A145 I146 I147 K319 L324	A145-T149 WeakPolarHBondContact O-CB 3.47Å; A145-T149 PolarHBondContact O-N 2.85Å; A145-T149 PolarHBondContact O-OG1 3.39Å; I146-T149 PolarHBondContact O-N 2.8Å; I146-T149 VanDerWaalsContact O-N 3.14Å; I147-T149 VanDerWaalsContact C-N 3.31Å; I147-T149 PolarHBondContact O-N 3.48Å; T149-K319 WeakPolarHBondContact CG2-O 3.47Å; T149-K319 PolarHBondContact OG1-N 3.43Å; T149-L324 HydrophobicContact CG2-CD1 3.84Å; T149-L324 HydrophobicContact CG2-CD2 3.97Å; T149-L324 HydrophobicContact CG2-CG 3.83Å
150	I	98.6	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66	-50.3	-179.9	-66.3	160.4	0	0	0	111	M124 I146 I147 K152 E153 V154 I176 V184 L244 L324 L328	M124-I150 HydrophobicContact CE-CD1 3.46Å; M124-I150 VanDerWaalsContact CE-CD1 3.46Å; M124-I150 HydrophobicContact CG-CG2 4.34Å; M124-I150 HydrophobicContact SD-CD1 3.56Å; M124-I150 VanDerWaalsContact SD-CD1 3.56Å; M124-I150 HydrophobicContact SD-CG1 4.4Å; I146-I150 HydrophobicContact CG2-CD1 3.6Å; I146-I150 WeakPolarHBondContact O-CG1 3.41Å; I146-I150 PolarHBondContact O-N 3.1Å; I147-I150 PolarHBondContact O-N 3.24Å; I150-K152 PolarHBondContact O-N 3.24Å; I150-E153 PolarHBondContact O-N 2.78Å; I150-V154 HydrophobicContact CG2-CG2 4.38Å; I150-V154 WeakPolarHBondContact O-CG2 3.42Å; I150-V154 PolarHBondContact O-N 2.7Å; I150-I176 HydrophobicContact CG2-CG2 3.86Å; I150-V184 HydrophobicContact CG1-CG2 4.42Å; I150-V184 HydrophobicContact CG2-CG1 3.99Å; I150-L244 HydrophobicContact CG2-CD1 4.47Å; I150-L324 HydrophobicContact CG1-CD1 4.31Å; I150-L324 HydrophobicContact CG1-CD2 4.21Å; I150-L328 HydrophobicContact CD1-CD1 4.03Å
151	L	98.7	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-24.8	-175.4	-71	-174.1	0	0	0	112.8	I147 L155 F237 A241 L244 F315	I147-L151 HydrophobicContact CG2-CD1 3.5Å; I147-L151 HydrophobicContact CG2-CG 4.01Å; I147-L151 VanDerWaalsContact O-CB 3.22Å; I147-L151 WeakPolarHBondContact O-CB 3.47Å; I147-L151 VanDerWaalsContact O-CG 3.29Å; I147-L151 WeakPolarHBondContact O-CG 3.47Å; I147-L151 PolarHBondContact O-N 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.18Å; L151-L155 PolarHBondContact O-N 2.92Å; L151-F237 HydrophobicContact CB-CE2 3.92Å; L151-F237 HydrophobicContact CB-CZ 3.78Å; L151-F237 HydrophobicContact CD1-CE2 4.47Å; L151-F237 HydrophobicContact CD1-CZ 4Å; L151-F237 HydrophobicContact CD2-CD2 4.33Å; L151-F237 HydrophobicContact CD2-CE2 3.71Å; L151-F237 HydrophobicContact CD2-CZ 4.1Å; L151-F237 HydrophobicContact CG-CE2 4.24Å; L151-F237 HydrophobicContact CG-CZ 4.18Å; L151-A241 HydrophobicContact CD1-CB 3.57Å; L151-L244 HydrophobicContact CD1-CD1 4.42Å; L151-L244 HydrophobicContact CD2-CD1 3.66Å; L151-L244 HydrophobicContact CG-CD1 3.9Å; L151-F315 HydrophobicContact CB-CE1 3.89Å; L151-F315 HydrophobicContact CB-CZ 4.46Å
152	K	98.7	Very high	97.5	Very high	78 Å²	78	18.9 Å²	18.9	34%	0.339	9%	0.09	S	C	.	.	H	α-helix	trans	-62.8	-51.4	171.6	-173.7	-171.8	176.2	-162.9	0	110.4	A148 I150 V154 L155 E156 L310 F315 A318	A148-K152 WeakPolarHBondContact O-CB 3.2Å; A148-K152 PolarHBondContact O-N 2.78Å; I150-K152 PolarHBondContact O-N 3.24Å; K152-V154 VanDerWaalsContact C-N 3.3Å; K152-V154 PolarHBondContact O-N 2.85Å; K152-L155 WeakPolarHBondContact O-CB 3.35Å; K152-L155 PolarHBondContact O-N 3.22Å; K152-E156 WeakPolarHBondContact O-CG 3.37Å; K152-E156 PolarHBondContact O-N 3.26Å; K152-L310 HydrophobicContact CG-CD2 3.75Å; K152-F315 HydrophobicContact CB-CD1 3.89Å; K152-F315 HydrophobicContact CB-CE1 4.34Å; K152-F315 HydrophobicContact CG-CD1 4.5Å; K152-A318 HydrophobicContact CD-CB 4.12Å
153	E	98.5	Very high	97.4	Very high	43 Å²	43	26.6 Å²	26.6	20%	0.201	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-38.4	178.2	-61.4	-57.6	111.1	0	0	112	N98 I150 L155 E156 G157 V184	N98-E153 WeakPolarHBondContact CB-O 3.37Å; N98-E153 WeakPolarHBondContact ND2-CB 3.5Å; N98-E153 PolarHBondContact ND2-OE2 2.9Å; I150-E153 PolarHBondContact O-N 2.78Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.08Å; E153-E156 PolarHBondContact O-N 2.89Å; E153-G157 PolarHBondContact O-N 2.88Å; E153-G157 VanDerWaalsContact O-N 3.08Å; E153-V184 HydrophobicContact CB-CB 3.63Å; E153-V184 HydrophobicContact CB-CG1 3.95Å; E153-V184 HydrophobicContact CB-CG2 4.23Å; E153-V184 HydrophobicContact CG-CB 3.98Å; E153-V184 HydrophobicContact CG-CG2 4.1Å
154	V	98.6	Very high	97.1	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-41.9	172.3	173.8	0	0	0	0	111.1	I150 K152 G157 L158 L171 I176 V184 I186 F237	I150-V154 HydrophobicContact CG2-CG2 4.38Å; I150-V154 WeakPolarHBondContact O-CG2 3.42Å; I150-V154 PolarHBondContact O-N 2.7Å; K152-V154 VanDerWaalsContact C-N 3.3Å; K152-V154 PolarHBondContact O-N 2.85Å; V154-G157 PolarHBondContact O-N 3Å; V154-L158 HydrophobicContact CG1-CD1 4.11Å; V154-L158 HydrophobicContact CG1-CG 4.36Å; V154-L158 WeakPolarHBondContact O-CG 3.42Å; V154-L158 PolarHBondContact O-N 2.93Å; V154-L171 HydrophobicContact CG1-CD1 4.01Å; V154-L171 HydrophobicContact CG1-CD2 4.3Å; V154-I176 HydrophobicContact CG2-CD1 3.75Å; V154-I176 HydrophobicContact CG2-CG1 3.94Å; V154-I176 HydrophobicContact CG2-CG2 4.09Å; V154-V184 HydrophobicContact CG2-CG1 4.28Å; V154-I186 HydrophobicContact CG1-CD1 3.98Å; V154-I186 HydrophobicContact CG1-CG1 4.27Å; V154-I186 HydrophobicContact CG2-CG1 4.46Å; V154-I186 WeakPolarHBondContact O-CD1 3.38Å; V154-F237 HydrophobicContact CB-CE2 4.41Å; V154-F237 HydrophobicContact CG1-CD2 3.97Å; V154-F237 HydrophobicContact CG1-CE2 4.11Å
155	L	98.7	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-36.6	177.1	-74.9	173.6	0	0	0	113.1	L151 K152 E153 G157 L158 D159 M234 F237 A306 L309 L310 F315	L151-L155 WeakPolarHBondContact O-CG 3.18Å; L151-L155 PolarHBondContact O-N 2.92Å; K152-L155 WeakPolarHBondContact O-CB 3.35Å; K152-L155 PolarHBondContact O-N 3.22Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.08Å; L155-G157 VanDerWaalsContact C-N 3.29Å; L155-G157 PolarHBondContact O-N 3.33Å; L155-L158 HydrophobicContact CD2-CD1 4.4Å; L155-L158 PolarHBondContact O-N 3.22Å; L155-D159 VanDerWaalsContact O-CB 3.26Å; L155-D159 WeakPolarHBondContact O-CB 3.28Å; L155-D159 PolarHBondContact O-N 2.89Å; L155-M234 HydrophobicContact CD2-CE 3.88Å; L155-F237 HydrophobicContact CD1-CE1 4.38Å; L155-F237 HydrophobicContact CD1-CE2 4.21Å; L155-F237 HydrophobicContact CD1-CZ 3.73Å; L155-F237 HydrophobicContact CD2-CD1 4.44Å; L155-F237 HydrophobicContact CD2-CD2 3.96Å; L155-F237 HydrophobicContact CD2-CE1 4.2Å; L155-F237 HydrophobicContact CD2-CE2 3.66Å; L155-F237 HydrophobicContact CD2-CG 4.33Å; L155-F237 HydrophobicContact CD2-CZ 3.78Å; L155-F237 HydrophobicContact CG-CD2 4.3Å; L155-F237 HydrophobicContact CG-CE1 4.41Å; L155-F237 HydrophobicContact CG-CE2 3.52Å; L155-F237 HydrophobicContact CG-CZ 3.58Å; L155-A306 HydrophobicContact CD2-CB 3.97Å; L155-L309 HydrophobicContact CD1-CB 4.06Å; L155-L309 HydrophobicContact CD1-CD2 4.08Å; L155-L309 HydrophobicContact CD1-CG 4.06Å; L155-L309 HydrophobicContact CD2-CB 4.38Å; L155-L309 HydrophobicContact CD2-CD2 3.92Å; L155-L310 HydrophobicContact CB-CD1 4.28Å; L155-L310 HydrophobicContact CB-CD2 3.65Å; L155-L310 HydrophobicContact CB-CG 3.74Å; L155-L310 HydrophobicContact CD1-CD2 4.08Å; L155-L310 HydrophobicContact CD1-CG 4.1Å; L155-F315 HydrophobicContact CD1-CD2 4.41Å; L155-F315 HydrophobicContact CD1-CE1 4.03Å; L155-F315 HydrophobicContact CD1-CE2 3.48Å; L155-F315 VanDerWaalsContact CD1-CE2 3.48Å; L155-F315 HydrophobicContact CD1-CZ 3.25Å; L155-F315 HydrophobicContact CG-CZ 4.45Å
156	E	98.5	Very high	95.8	Very high	62 Å²	62	30.9 Å²	30.9	29%	0.29	16%	0.156	S	C	.	.	H	α-helix	trans	-61	-41.6	173.5	-61.8	-70.5	176.1	0	0	110.6	K152 E153 Y160 L310	K152-E156 WeakPolarHBondContact O-CG 3.37Å; K152-E156 PolarHBondContact O-N 3.26Å; E153-E156 PolarHBondContact O-N 2.89Å; E156-Y160 PolarHBondContact O-N 3.17Å; E156-Y160 VanDerWaalsContact O-N 3.11Å; E156-L310 HydrophobicContact CG-CD1 4.45Å; E156-L310 HydrophobicContact CG-CD2 4.4Å
157	G	97.6	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-45.3	174	0	0	0	0	0	113.6	E153 V154 L155 Y160 L161	E153-G157 PolarHBondContact O-N 2.88Å; E153-G157 VanDerWaalsContact O-N 3.08Å; V154-G157 PolarHBondContact O-N 3Å; L155-G157 VanDerWaalsContact C-N 3.29Å; L155-G157 PolarHBondContact O-N 3.33Å; G157-Y160 WeakPolarHBondContact O-CB 3.04Å; G157-Y160 PolarHBondContact O-N 2.69Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 2.94Å
158	L	97.5	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-42	177.1	-70.7	175.3	0	0	0	112.1	V154 L155 Y160 L161 H162 H168 L171 I186 D233 F237 A306	V154-L158 HydrophobicContact CG1-CD1 4.11Å; V154-L158 HydrophobicContact CG1-CG 4.36Å; V154-L158 WeakPolarHBondContact O-CG 3.42Å; V154-L158 PolarHBondContact O-N 2.93Å; L155-L158 HydrophobicContact CD2-CD1 4.4Å; L155-L158 PolarHBondContact O-N 3.22Å; L158-Y160 VanDerWaalsContact C-N 3.29Å; L158-Y160 PolarHBondContact O-N 2.94Å; L158-L161 PolarHBondContact O-N 2.89Å; L158-L161 VanDerWaalsContact O-N 3.15Å; L158-H162 WeakPolarHBondContact O-CB 3.5Å; L158-H162 PolarHBondContact O-CD2 3.26Å; L158-H162 VanDerWaalsContact O-CD2 3.28Å; L158-H162 PolarHBondContact O-N 3.38Å; L158-H168 HydrophobicContact CD2-CB 4.14Å; L158-L171 HydrophobicContact CD1-CD2 3.71Å; L158-L171 HydrophobicContact CD2-CD2 4.32Å; L158-L171 HydrophobicContact CG-CD2 4.49Å; L158-I186 HydrophobicContact CD2-CD1 4.13Å; L158-I186 HydrophobicContact CG-CD1 3.99Å; L158-D233 HydrophobicContact CD2-CB 4.21Å; L158-F237 HydrophobicContact CD1-CB 4.39Å; L158-F237 HydrophobicContact CD1-CD2 4.07Å; L158-A306 HydrophobicContact CB-CB 4.18Å
159	D	98	Very high	94.3	Very high	22 Å²	22	35.6 Å²	35.6	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-43.2	176.6	-179.9	67.8	0	0	0	111.3	L155 R163 A306 A307	L155-D159 VanDerWaalsContact O-CB 3.26Å; L155-D159 WeakPolarHBondContact O-CB 3.28Å; L155-D159 PolarHBondContact O-N 2.89Å; D159-R163 WeakPolarHBondContact O-CB 3.41Å; D159-R163 WeakPolarHBondContact O-CG 3.34Å; D159-R163 PolarHBondContact O-N 2.91Å; D159-R163 PolarHBondContact O-NE 3.46Å; D159-R163 IonicContact OD1-NE 3.79Å; D159-R163 IonicContact OD2-CZ 3.15Å; D159-R163 IonicContact OD2-NE 2.73Å; D159-R163 PolarHBondContact OD2-NE 3.3Å; D159-R163 IonicContact OD2-NH2 2.78Å; D159-R163 PolarHBondContact OD2-NH2 3.22Å; D159-A306 HydrophobicContact CB-CB 3.79Å; D159-A307 WeakPolarHBondContact OD1-CB 3.49Å
160	Y	96.6	Very high	93.7	Very high	35 Å²	35	36 Å²	36	14%	0.137	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-50.7	172.3	173.5	-91.5	0	0	0	111.8	C94 S95 H96 V99 E156 G157 L158 H162 N164	C94-Y160 HydrophobicContact CB-CE1 4.04Å; S95-Y160 PolarHBondContact N-OH 2.87Å; S95-Y160 VanDerWaalsContact N-OH 3.13Å; H96-Y160 HydrophobicContact CB-CD1 3.69Å; H96-Y160 HydrophobicContact CB-CD2 4.02Å; H96-Y160 HydrophobicContact CB-CE1 3.99Å; H96-Y160 HydrophobicContact CB-CE2 4.26Å; H96-Y160 HydrophobicContact CB-CG 3.72Å; H96-Y160 AromaticContact CD2-CD2 3.55Å; H96-Y160 AromaticContact CD2-CG 3.61Å; H96-Y160 AromaticContact CG-CD2 4Å; H96-Y160 AromaticContact CG-CG 3.69Å; V99-Y160 HydrophobicContact CG2-CD1 4.42Å; E156-Y160 PolarHBondContact O-N 3.17Å; E156-Y160 VanDerWaalsContact O-N 3.11Å; G157-Y160 WeakPolarHBondContact O-CB 3.04Å; G157-Y160 PolarHBondContact O-N 2.69Å; L158-Y160 VanDerWaalsContact C-N 3.29Å; L158-Y160 PolarHBondContact O-N 2.94Å; Y160-H162 PolarHBondContact O-N 3.39Å; Y160-N164 WeakPolarHBondContact CE2-ND2 3.49Å; Y160-N164 PolarHBondContact O-N 3.09Å; Y160-N164 PolarHBondContact O-ND2 2.89Å
161	L	92.9	Very high	93.4	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-47.3	-179.5	-68.7	176.2	0	0	0	111.5	V99 G157 L158 R163 N164 G165 Q166 H168 F189	V99-L161 HydrophobicContact CG2-CD1 4.48Å; V99-L161 HydrophobicContact CG2-CD2 4.4Å; V99-L161 HydrophobicContact CG2-CG 4.26Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 2.94Å; L158-L161 PolarHBondContact O-N 2.89Å; L158-L161 VanDerWaalsContact O-N 3.15Å; L161-R163 PolarHBondContact O-N 3.23Å; L161-N164 CarbonylContact O-C 3.6Å; L161-N164 PolarHBondContact O-N 3.32Å; L161-N164 VanDerWaalsContact O-N 3.08Å; L161-G165 PolarHBondContact O-N 2.91Å; L161-Q166 CarbonylContact C-O 3.51Å; L161-Q166 HydrophobicContact CB-CB 4.16Å; L161-Q166 HydrophobicContact CD2-CB 4.21Å; L161-Q166 WeakPolarHBondContact O-CB 3.09Å; L161-Q166 PolarHBondContact O-N 3.32Å; L161-H168 HydrophobicContact CD1-CB 4.32Å; L161-F189 HydrophobicContact CD1-CB 4.5Å; L161-F189 HydrophobicContact CD2-CD2 3.98Å; L161-F189 HydrophobicContact CD2-CE2 4.13Å
162	H	93.2	Very high	93.2	Very high	20 Å²	20	38 Å²	38	9%	0.093	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-39.4	-176.2	-62.7	177.7	0	0	0	111.9	L158 Y160 N164 G165 Q166 F230 D233	L158-H162 WeakPolarHBondContact O-CB 3.5Å; L158-H162 PolarHBondContact O-CD2 3.26Å; L158-H162 VanDerWaalsContact O-CD2 3.28Å; L158-H162 PolarHBondContact O-N 3.38Å; Y160-H162 PolarHBondContact O-N 3.39Å; H162-N164 PolarHBondContact O-N 3.37Å; H162-G165 PolarHBondContact O-N 3.34Å; H162-G165 VanDerWaalsContact O-N 3.1Å; H162-Q166 PolarHBondContact CD2-O 2.92Å; H162-F230 HydrophobicContact CB-CB 4.24Å; H162-F230 HydrophobicContact CB-CD2 4.06Å; H162-F230 HydrophobicContact CB-CG 4.17Å; H162-F230 PolarHBondContact CE1-O 3.29Å; H162-F230 AromaticContact CG-CD2 3.77Å; H162-F230 AromaticContact CG-CG 3.97Å; H162-F230 AromaticContact ND1-CD2 3.45Å; H162-F230 WeakPolarHBondContact ND1-CD2 3.29Å; H162-D233 IonicContact CD2-OD2 2.74Å; H162-D233 IonicContact CE1-OD2 3.39Å; H162-D233 IonicContact NE2-OD2 3.93Å; H162-D233 PolarHBondContact NE2-OD2 2.86Å
163	R	93.3	Very high	93	Very high	166 Å²	166	34.2 Å²	34.2	63%	0.626	17%	0.17	S	C	*	.	H	α-helix	trans	-64.6	-27.3	174	-77.9	-171.7	-73.9	134.7	-5.3	113.3	D159 L161 G165	D159-R163 WeakPolarHBondContact O-CB 3.41Å; D159-R163 WeakPolarHBondContact O-CG 3.34Å; D159-R163 PolarHBondContact O-N 2.91Å; D159-R163 PolarHBondContact O-NE 3.46Å; D159-R163 IonicContact OD1-NE 3.79Å; D159-R163 IonicContact OD2-CZ 3.15Å; D159-R163 IonicContact OD2-NE 2.73Å; D159-R163 PolarHBondContact OD2-NE 3.3Å; D159-R163 IonicContact OD2-NH2 2.78Å; D159-R163 PolarHBondContact OD2-NH2 3.22Å; L161-R163 PolarHBondContact O-N 3.23Å; R163-G165 VanDerWaalsContact C-N 3.31Å
164	N	89.1	Confident	92.6	Very high	84 Å²	84	33 Å²	33	45%	0.449	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	12.6	175.6	-70	-73.2	0	0	0	113	Y160 L161 H162 Q166	Y160-N164 WeakPolarHBondContact CE2-ND2 3.49Å; Y160-N164 PolarHBondContact O-N 3.09Å; Y160-N164 PolarHBondContact O-ND2 2.89Å; L161-N164 CarbonylContact O-C 3.6Å; L161-N164 PolarHBondContact O-N 3.32Å; L161-N164 VanDerWaalsContact O-N 3.08Å; H162-N164 PolarHBondContact O-N 3.37Å; N164-Q166 PolarHBondContact O-N 3.46Å
165	G	84.7	Confident	92.4	Very high	65 Å²	65	33.4 Å²	33.4	67%	0.67	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	16	177.9	0	0	0	0	0	114.3	L161 H162 R163	L161-G165 PolarHBondContact O-N 2.91Å; H162-G165 PolarHBondContact O-N 3.34Å; H162-G165 VanDerWaalsContact O-N 3.1Å; R163-G165 VanDerWaalsContact C-N 3.31Å
166	Q	85.9	Confident	92.3	Very high	55 Å²	55	33.4 Å²	33.4	26%	0.257	17%	0.171	S	C	.	.			trans	-96.5	149.6	178.9	-59	-59.7	-30.3	0	0	111	L161 H162 N164	L161-Q166 CarbonylContact C-O 3.51Å; L161-Q166 HydrophobicContact CB-CB 4.16Å; L161-Q166 HydrophobicContact CD2-CB 4.21Å; L161-Q166 WeakPolarHBondContact O-CB 3.09Å; L161-Q166 PolarHBondContact O-N 3.32Å; H162-Q166 PolarHBondContact CD2-O 2.92Å; N164-Q166 PolarHBondContact O-N 3.46Å
167	I	86.7	Confident	92.2	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.185	17%	0.167	C	C	.	.			trans	-123.4	132.5	175.3	-51.1	172.6	0	0	0	107.4	R169 Y228 F230	I167-R169 HydrophobicContact CB-CG 4.13Å; I167-R169 HydrophobicContact CG2-CG 3.79Å; I167-Y228 HydrophobicContact CD1-CD2 4.47Å; I167-Y228 HydrophobicContact CD1-CE2 4.41Å; I167-Y228 HydrophobicContact CG2-CE2 4.16Å; I167-F230 HydrophobicContact CG1-CB 4.2Å
168	H	89.6	Confident	92.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.167	C	C	.	.			trans	-73.5	-43.1	-178.2	-173.8	-77.3	0	0	0	112.7	L158 L161 D170 L171 I186 A187 F189 A193 D233	L158-H168 HydrophobicContact CD2-CB 4.14Å; L161-H168 HydrophobicContact CD1-CB 4.32Å; H168-D170 VanDerWaalsContact CE1-C 3.48Å; H168-D170 PolarHBondContact CE1-O 2.75Å; H168-D170 VanDerWaalsContact ND1-C 3.31Å; H168-D170 PolarHBondContact ND1-N 3.31Å; H168-D170 PolarHBondContact O-N 3.48Å; H168-L171 PolarHBondContact ND1-N 2.92Å; H168-I186 VanDerWaalsContact CD2-CG2 3.42Å; H168-I186 WeakPolarHBondContact CD2-CG2 3.49Å; H168-I186 WeakPolarHBondContact NE2-CG2 3.48Å; H168-A187 PolarHBondContact CE1-O 3.28Å; H168-A187 PolarHBondContact NE2-O 3.37Å; H168-F189 VanDerWaalsContact CD2-CB 3.47Å; H168-F189 WeakPolarHBondContact CD2-CB 3.4Å; H168-A193 WeakPolarHBondContact O-CB 3.5Å; H168-D233 WeakPolarHBondContact CB-OD2 3.23Å; H168-D233 PolarHBondContact N-OD1 2.8Å; H168-D233 PolarHBondContact N-OD2 3.39Å
169	R	85.7	Confident	91.8	Very high	72 Å²	72	32.5 Å²	32.5	27%	0.272	17%	0.169	S	C	.	.			trans	67.6	-22.8	175.8	-40.9	171.3	168.8	150.3	3.2	118	E87 I167 A193 T197 Y228 D233	E87-R169 IonicContact OE1-CZ 3.87Å; E87-R169 IonicContact OE1-NH1 3.73Å; E87-R169 PolarHBondContact OE1-NH1 3.12Å; I167-R169 HydrophobicContact CB-CG 4.13Å; I167-R169 HydrophobicContact CG2-CG 3.79Å; R169-A193 HydrophobicContact CB-CB 4.1Å; R169-T197 HydrophobicContact CB-CG2 3.87Å; R169-Y228 WeakPolarHBondContact CD-OH 3.34Å; R169-Y228 HydrophobicContact CG-CE2 4.16Å; R169-Y228 WeakPolarHBondContact CG-OH 3.46Å; R169-Y228 PolarHBondContact NE-OH 3.06Å; R169-D233 PolarHBondContact N-OD1 3.21Å
170	D	86.1	Confident	91.5	Very high	14 Å²	14	37.9 Å²	37.9	8%	0.075	19%	0.193	C	C	.	.			trans	-128.1	45.9	177.1	-166.7	41.7	0	0	0	112.8	H168 K172 N175 T213	H168-D170 VanDerWaalsContact CE1-C 3.48Å; H168-D170 PolarHBondContact CE1-O 2.75Å; H168-D170 VanDerWaalsContact ND1-C 3.31Å; H168-D170 PolarHBondContact ND1-N 3.31Å; H168-D170 PolarHBondContact O-N 3.48Å; D170-K172 VanDerWaalsContact CG-NZ 3.32Å; D170-K172 PolarHBondContact O-N 3.24Å; D170-K172 IonicContact OD1-NZ 3.87Å; D170-K172 PolarHBondContact OD1-NZ 3.17Å; D170-K172 VanDerWaalsContact OD1-NZ 3.12Å; D170-K172 WeakPolarHBondContact OD2-CE 3.25Å; D170-K172 IonicContact OD2-NZ 2.75Å; D170-K172 PolarHBondContact OD2-NZ 3.16Å; D170-N175 PolarHBondContact O-ND2 3.4Å; D170-N175 PolarHBondContact OD2-ND2 3.31Å; D170-T213 PolarHBondContact OD1-OG1 2.89Å
171	L	93.8	Very high	91.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.			trans	-75.4	121.5	179.6	-175.8	70.3	0	0	0	111.3	V154 L158 H168 I186 F237 T240	V154-L171 HydrophobicContact CG1-CD1 4.01Å; V154-L171 HydrophobicContact CG1-CD2 4.3Å; L158-L171 HydrophobicContact CD1-CD2 3.71Å; L158-L171 HydrophobicContact CD2-CD2 4.32Å; L158-L171 HydrophobicContact CG-CD2 4.49Å; H168-L171 PolarHBondContact ND1-N 2.92Å; L171-I186 HydrophobicContact CD1-CG2 3.97Å; L171-F237 HydrophobicContact CD2-CB 3.75Å; L171-F237 HydrophobicContact CD2-CD2 4.28Å; L171-T240 PolarHBondContact O-OG1 2.96Å
172	K	93.3	Very high	91.3	Very high	41 Å²	41	39.8 Å²	39.8	18%	0.178	21%	0.206	C	C	.	.	S	Bend	trans	-160.6	167.3	178.9	64.9	-160.2	-176.8	-153.1	0	110.7	D170 G174 N175 I176 T213 W216 T240	D170-K172 VanDerWaalsContact CG-NZ 3.32Å; D170-K172 PolarHBondContact O-N 3.24Å; D170-K172 IonicContact OD1-NZ 3.87Å; D170-K172 PolarHBondContact OD1-NZ 3.17Å; D170-K172 VanDerWaalsContact OD1-NZ 3.12Å; D170-K172 WeakPolarHBondContact OD2-CE 3.25Å; D170-K172 IonicContact OD2-NZ 2.75Å; D170-K172 PolarHBondContact OD2-NZ 3.16Å; K172-G174 PolarHBondContact O-N 3.14Å; K172-G174 VanDerWaalsContact O-N 3.17Å; K172-N175 HydrophobicContact CG-CB 4.33Å; K172-N175 PolarHBondContact O-N 2.92Å; K172-I176 PolarHBondContact O-N 2.88Å; K172-T213 HydrophobicContact CD-CG2 4.18Å; K172-T213 PolarHBondContact NZ-OG1 3.3Å; K172-W216 HydrophobicContact CB-CD2 4.18Å; K172-W216 HydrophobicContact CB-CG 4.13Å; K172-W216 HydrophobicContact CB-CZ2 4.45Å; K172-T240 WeakPolarHBondContact CA-OG1 3.45Å
173	A	94.6	Very high	91.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.2	-179.8	0	0	0	0	0	113.5	M124 L125 I128 N175 I176 E243 L244	M124-A173 HydrophobicContact CB-CB 3.93Å; M124-A173 WeakPolarHBondContact CB-O 3.28Å; M124-A173 PolarHBondContact N-O 2.78Å; L125-A173 PolarHBondContact N-O 2.86Å; I128-A173 HydrophobicContact CD1-CB 3.86Å; A173-N175 PolarHBondContact O-N 2.96Å; A173-I176 PolarHBondContact O-N 3.35Å; A173-E243 HydrophobicContact CB-CG 4.01Å; A173-E243 WeakPolarHBondContact CB-OE1 2.94Å; A173-E243 VanDerWaalsContact CB-OE2 3.27Å; A173-E243 WeakPolarHBondContact CB-OE2 3.29Å; A173-E243 PolarHBondContact N-OE2 2.95Å; A173-L244 HydrophobicContact CB-CD2 4.15Å
174	G	90.9	Very high	91.7	Very high	17 Å²	17	31.2 Å²	31.2	18%	0.175	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-63.8	-24.1	173.7	0	0	0	0	0	114.3	S123 K172	S123-G174 WeakPolarHBondContact CB-O 3.45Å; K172-G174 PolarHBondContact O-N 3.14Å; K172-G174 VanDerWaalsContact O-N 3.17Å
175	N	93.8	Very high	92.1	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-104.5	9.9	-179.6	-67.3	-9.6	0	0	0	112.4	D170 K172 A173 A187	D170-N175 PolarHBondContact O-ND2 3.4Å; D170-N175 PolarHBondContact OD2-ND2 3.31Å; K172-N175 HydrophobicContact CG-CB 4.33Å; K172-N175 PolarHBondContact O-N 2.92Å; A173-N175 PolarHBondContact O-N 2.96Å; N175-A187 PolarHBondContact O-N 2.83Å
176	I	97.1	Very high	92.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.5	169.4	-60.5	169.3	0	0	0	107.1	S123 M124 I150 V154 K172 A173 V184 T240	S123-I176 CarbonylContact C-O 3.57Å; S123-I176 VanDerWaalsContact CA-O 3.29Å; S123-I176 WeakPolarHBondContact CA-O 3.45Å; M124-I176 HydrophobicContact CB-CB 4.34Å; M124-I176 HydrophobicContact CG-CB 3.88Å; M124-I176 HydrophobicContact CG-CG2 3.63Å; M124-I176 PolarHBondContact N-O 3.38Å; I150-I176 HydrophobicContact CG2-CG2 3.86Å; V154-I176 HydrophobicContact CG2-CD1 3.75Å; V154-I176 HydrophobicContact CG2-CG1 3.94Å; V154-I176 HydrophobicContact CG2-CG2 4.09Å; K172-I176 PolarHBondContact O-N 2.88Å; A173-I176 PolarHBondContact O-N 3.35Å; I176-V184 HydrophobicContact CG2-CG1 3.71Å; I176-T240 HydrophobicContact CD1-CG2 3.61Å
177	L	95.5	Very high	92.9	Very high	38 Å²	38	22.1 Å²	22.1	20%	0.199	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	146.3	-175.9	-59.4	-172.1	0	0	0	111.4	V100 L119 G122 Q185 A187	V100-L177 HydrophobicContact CG2-CD1 4.24Å; L119-L177 HydrophobicContact CB-CB 4.07Å; L119-L177 HydrophobicContact CB-CD1 4.41Å; L119-L177 HydrophobicContact CD1-CB 3.34Å; L119-L177 HydrophobicContact CD1-CD1 4.01Å; L119-L177 HydrophobicContact CD1-CG 4.31Å; L119-L177 HydrophobicContact CG-CB 4.37Å; G122-L177 WeakPolarHBondContact O-CA 3.49Å; L177-Q185 PolarHBondContact N-O 2.96Å; L177-Q185 PolarHBondContact O-N 3.43Å; L177-A187 HydrophobicContact CD1-CB 3.54Å; L177-A187 HydrophobicContact CG-CB 3.75Å
178	L	94.9	Very high	92.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.6	176.6	-62.9	-177.2	0	0	0	111.8	L119 G121 G122 M124 I127 S183 V184 L328 L329	L119-L178 CarbonylContact C-O 3.51Å; L119-L178 WeakPolarHBondContact CB-O 3.45Å; G121-L178 WeakPolarHBondContact CA-O 3.4Å; G121-L178 PolarHBondContact N-O 3.47Å; G122-L178 PolarHBondContact O-N 2.86Å; M124-L178 HydrophobicContact SD-CD1 3.83Å; M124-L178 HydrophobicContact SD-CD2 4.28Å; M124-L178 HydrophobicContact SD-CG 4.08Å; I127-L178 HydrophobicContact CD1-CD1 3.44Å; I127-L178 VanDerWaalsContact CD1-CD1 3.44Å; L178-S183 CarbonylContact C-O 3.45Å; L178-S183 VanDerWaalsContact CA-O 3.31Å; L178-S183 WeakPolarHBondContact CA-O 3.39Å; L178-V184 HydrophobicContact CD2-CB 4.28Å; L178-V184 HydrophobicContact CD2-CG1 4.43Å; L178-V184 HydrophobicContact CD2-CG2 3.62Å; L178-L328 HydrophobicContact CD1-CD1 4.27Å; L178-L329 HydrophobicContact CB-CD2 4.21Å; L178-L329 HydrophobicContact CD1-CD2 3.9Å
179	G	93.2	Very high	91.9	Very high	4 Å²	4	22.9 Å²	22.9	4%	0.041	12%	0.116	C	C	.	.			trans	-80.6	159	165.1	0	0	0	0	0	111.9	D181 G182 S183 L329	G179-D181 PolarHBondContact O-N 3.42Å; G179-G182 PolarHBondContact O-N 3.4Å; G179-S183 PolarHBondContact N-O 2.65Å; G179-L329 VanDerWaalsContact O-CD1 3.28Å; G179-L329 WeakPolarHBondContact O-CD1 3.38Å
180	E	90.8	Very high	91.3	Very high	136 Å²	136	19.8 Å²	19.8	64%	0.636	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.4	173.4	-64.6	177.5	-172.4	0	0	112.3	S120 G182	S120-E180 WeakPolarHBondContact CB-OE1 3.49Å; S120-E180 PolarHBondContact OG-OE1 2.99Å; E180-G182 PolarHBondContact O-N 3.24Å
181	D	92.3	Very high	90.4	Very high	76 Å²	76	19.1 Å²	19.1	41%	0.406	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	7.4	174.6	72.2	-31.2	0	0	0	113.6	G179 S183 R321	G179-D181 PolarHBondContact O-N 3.42Å; D181-S183 PolarHBondContact O-N 2.72Å; D181-S183 WeakPolarHBondContact OD1-CB 3.25Å; D181-S183 PolarHBondContact OD1-N 3.49Å; D181-S183 VanDerWaalsContact OD1-N 3.11Å; D181-S183 PolarHBondContact OD1-OG 3.28Å; D181-R321 IonicContact OD2-NH1 3.58Å
182	G	93.6	Very high	88.8	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.01	11%	0.107	C	C	.	.	S	Bend	trans	72.9	12	-176.5	0	0	0	0	0	114.2	G179 E180	G179-G182 PolarHBondContact O-N 3.4Å; E180-G182 PolarHBondContact O-N 3.24Å
183	S	96.2	Very high	87.2	Confident	4 Å²	4	17.8 Å²	17.8	3%	0.028	10%	0.099	C	C	.	.			trans	-66.7	146.4	171	59.4	0	0	0	0	111.4	L178 G179 D181	L178-S183 CarbonylContact C-O 3.45Å; L178-S183 VanDerWaalsContact CA-O 3.31Å; L178-S183 WeakPolarHBondContact CA-O 3.39Å; G179-S183 PolarHBondContact N-O 2.65Å; D181-S183 PolarHBondContact O-N 2.72Å; D181-S183 WeakPolarHBondContact OD1-CB 3.25Å; D181-S183 PolarHBondContact OD1-N 3.49Å; D181-S183 VanDerWaalsContact OD1-N 3.11Å; D181-S183 PolarHBondContact OD1-OG 3.28Å
184	V	98	Very high	85.8	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.6	178.7	-179	0	0	0	0	108.1	N98 I150 E153 V154 I176 L178 L324	N98-V184 WeakPolarHBondContact CA-O 3.39Å; N98-V184 PolarHBondContact ND2-O 3.14Å; I150-V184 HydrophobicContact CG1-CG2 4.42Å; I150-V184 HydrophobicContact CG2-CG1 3.99Å; E153-V184 HydrophobicContact CB-CB 3.63Å; E153-V184 HydrophobicContact CB-CG1 3.95Å; E153-V184 HydrophobicContact CB-CG2 4.23Å; E153-V184 HydrophobicContact CG-CB 3.98Å; E153-V184 HydrophobicContact CG-CG2 4.1Å; V154-V184 HydrophobicContact CG2-CG1 4.28Å; I176-V184 HydrophobicContact CG2-CG1 3.71Å; L178-V184 HydrophobicContact CD2-CB 4.28Å; L178-V184 HydrophobicContact CD2-CG1 4.43Å; L178-V184 HydrophobicContact CD2-CG2 3.62Å; V184-L324 HydrophobicContact CG2-CD1 3.74Å
185	Q	97.4	Very high	84.1	Confident	8 Å²	8	19 Å²	19	4%	0.037	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.5	-176.9	-49.4	-166.6	-27.3	0	0	111.5	P97 N98 V100 L119 L177	P97-Q185 WeakPolarHBondContact O-CG 3.41Å; P97-Q185 PolarHBondContact O-NE2 3.08Å; N98-Q185 WeakPolarHBondContact O-CA 3.49Å; V100-Q185 HydrophobicContact CG2-CB 3.77Å; L119-Q185 HydrophobicContact CD1-CB 3.8Å; L119-Q185 HydrophobicContact CD1-CG 4.02Å; L177-Q185 PolarHBondContact N-O 2.96Å; L177-Q185 PolarHBondContact O-N 3.43Å
186	I	95.8	Very high	82.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.8	174.3	-46.9	170.6	0	0	0	108.9	N98 V100 V154 L158 H168 L171	N98-I186 WeakPolarHBondContact O-CG1 3.49Å; N98-I186 PolarHBondContact O-N 3.01Å; V100-I186 WeakPolarHBondContact CG2-O 3.32Å; V100-I186 PolarHBondContact N-O 3.4Å; V154-I186 HydrophobicContact CG1-CD1 3.98Å; V154-I186 HydrophobicContact CG1-CG1 4.27Å; V154-I186 HydrophobicContact CG2-CG1 4.46Å; V154-I186 WeakPolarHBondContact O-CD1 3.38Å; L158-I186 HydrophobicContact CD2-CD1 4.13Å; L158-I186 HydrophobicContact CG-CD1 3.99Å; H168-I186 VanDerWaalsContact CD2-CG2 3.42Å; H168-I186 WeakPolarHBondContact CD2-CG2 3.49Å; H168-I186 WeakPolarHBondContact NE2-CG2 3.48Å; L171-I186 HydrophobicContact CD1-CG2 3.97Å
187	A	90.9	Very high	80.1	Confident	4 Å²	4	21.4 Å²	21.4	3%	0.033	12%	0.117	C	C	.	.			trans	-103.3	170.3	179	0	0	0	0	0	111.9	V100 H168 N175 L177 F189	V100-A187 HydrophobicContact CG2-CB 3.78Å; H168-A187 PolarHBondContact CE1-O 3.28Å; H168-A187 PolarHBondContact NE2-O 3.37Å; N175-A187 PolarHBondContact O-N 2.83Å; L177-A187 HydrophobicContact CD1-CB 3.54Å; L177-A187 HydrophobicContact CG-CB 3.75Å; A187-F189 VanDerWaalsContact C-N 3.25Å; A187-F189 PolarHBondContact O-N 2.7Å
188	D	80.8	Confident	78	Confident	40 Å²	40	22 Å²	22	21%	0.214	13%	0.133	C	C	.	.			trans	63	21.3	170.2	-76.2	-6.2	0	0	0	116.3	K70 S192 A193	K70-D188 IonicContact NZ-OD1 3.08Å; K70-D188 PolarHBondContact NZ-OD1 3.13Å; K70-D188 IonicContact NZ-OD2 2.7Å; K70-D188 PolarHBondContact NZ-OD2 2.54Å; D188-S192 WeakPolarHBondContact O-CB 3.33Å; D188-S192 PolarHBondContact OD1-OG 2.92Å; D188-A193 PolarHBondContact O-N 3.49Å
189	F	74.3	Confident	75.8	Confident	13 Å²	13	22.6 Å²	22.6	6%	0.057	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	151	165.4	84.5	-78.3	0	0	0	111.4	M91 C94 V99 L161 H168 A187	M91-F189 HydrophobicContact CB-CE2 4.17Å; M91-F189 HydrophobicContact CB-CZ 4.26Å; M91-F189 WeakPolarHBondContact CE-O 3.38Å; M91-F189 HydrophobicContact CG-CD2 4.44Å; M91-F189 HydrophobicContact CG-CE1 3.89Å; M91-F189 HydrophobicContact CG-CE2 3.76Å; M91-F189 HydrophobicContact CG-CZ 3.44Å; M91-F189 VanDerWaalsContact CG-CZ 3.44Å; C94-F189 HydrophobicContact CB-CE2 3.68Å; C94-F189 HydrophobicContact CB-CZ 3.65Å; V99-F189 HydrophobicContact CG1-CD1 3.49Å; V99-F189 VanDerWaalsContact CG1-CD1 3.49Å; V99-F189 HydrophobicContact CG1-CE1 3.08Å; V99-F189 HydrophobicContact CG1-CE2 4.3Å; V99-F189 HydrophobicContact CG1-CG 4.28Å; V99-F189 HydrophobicContact CG1-CZ 3.54Å; L161-F189 HydrophobicContact CD1-CB 4.5Å; L161-F189 HydrophobicContact CD2-CD2 3.98Å; L161-F189 HydrophobicContact CD2-CE2 4.13Å; H168-F189 VanDerWaalsContact CD2-CB 3.47Å; H168-F189 WeakPolarHBondContact CD2-CB 3.4Å; A187-F189 VanDerWaalsContact C-N 3.25Å; A187-F189 PolarHBondContact O-N 2.7Å
190	G	73.9	Confident	73.5	Confident	7 Å²	7	26.6 Å²	26.6	7%	0.072	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-122.3	-178.7	0	0	0	0	0	113.4	E87 S192 A193 F194	E87-G190 WeakPolarHBondContact OE2-CA 3.45Å; G190-S192 VanDerWaalsContact C-N 3.3Å; G190-S192 PolarHBondContact O-N 3.21Å; G190-S192 VanDerWaalsContact O-N 3.17Å; G190-A193 WeakPolarHBondContact O-CB 3.36Å; G190-A193 PolarHBondContact O-N 2.89Å; G190-A193 VanDerWaalsContact O-N 3.1Å; G190-F194 PolarHBondContact O-N 2.88Å
191	V	67.2	Low	71.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-49.3	-46.1	-173.6	170	0	0	0	0	113.7	I72 L84 E87 I88 M91 L114 F194 L195	I72-V191 HydrophobicContact CD1-CG1 3.48Å; I72-V191 VanDerWaalsContact CD1-CG1 3.48Å; L84-V191 HydrophobicContact CD1-CB 4.04Å; L84-V191 HydrophobicContact CD1-CG1 3.23Å; L84-V191 HydrophobicContact CD1-CG2 3.72Å; E87-V191 HydrophobicContact CB-CG2 3.92Å; I88-V191 HydrophobicContact CD1-CG2 4.42Å; I88-V191 HydrophobicContact CG1-CG2 3.5Å; I88-V191 VanDerWaalsContact CG1-CG2 3.5Å; M91-V191 HydrophobicContact CE-CB 4.13Å; M91-V191 HydrophobicContact CE-CG2 3.9Å; L114-V191 HydrophobicContact CD1-CB 4.28Å; L114-V191 HydrophobicContact CD1-CG1 4.42Å; V191-F194 PolarHBondContact O-N 3.39Å; V191-L195 HydrophobicContact CG1-CD1 3.9Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.31Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 2.94Å; V191-L195 PolarHBondContact O-N 2.98Å
192	S	60	Low	68.7	Low	14 Å²	14	25.9 Å²	25.9	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-176.6	-49.9	0	0	0	0	111.5	K70 D188 G190 A196	K70-S192 PolarHBondContact NZ-OG 2.83Å; D188-S192 WeakPolarHBondContact O-CB 3.33Å; D188-S192 PolarHBondContact OD1-OG 2.92Å; G190-S192 VanDerWaalsContact C-N 3.3Å; G190-S192 PolarHBondContact O-N 3.21Å; G190-S192 VanDerWaalsContact O-N 3.17Å; S192-A196 VanDerWaalsContact O-CB 3.27Å; S192-A196 WeakPolarHBondContact O-CB 3.42Å; S192-A196 PolarHBondContact O-N 2.84Å
193	A	59.2	Low	65.9	Low	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-41.6	173.1	0	0	0	0	0	112.5	H168 R169 D188 G190 A196 T197	H168-A193 WeakPolarHBondContact O-CB 3.5Å; R169-A193 HydrophobicContact CB-CB 4.1Å; D188-A193 PolarHBondContact O-N 3.49Å; G190-A193 WeakPolarHBondContact O-CB 3.36Å; G190-A193 PolarHBondContact O-N 2.89Å; G190-A193 VanDerWaalsContact O-N 3.1Å; A193-A196 PolarHBondContact O-N 3.37Å; A193-T197 WeakPolarHBondContact O-CG2 3.37Å; A193-T197 PolarHBondContact O-N 3.21Å; A193-T197 PolarHBondContact O-OG1 2.8Å
194	F	65.8	Low	63.1	Low	17 Å²	17	42.8 Å²	42.8	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-50.3	175.3	-179.2	-85.6	0	0	0	111.6	T79 E83 E87 G190 V191 A196 T197 G198 G199	T79-F194 HydrophobicContact CG2-CD1 4Å; T79-F194 HydrophobicContact CG2-CE1 3.3Å; T79-F194 HydrophobicContact CG2-CZ 4.15Å; E83-F194 HydrophobicContact CB-CE1 4.24Å; E83-F194 HydrophobicContact CB-CE2 4.43Å; E83-F194 HydrophobicContact CB-CZ 3.76Å; E83-F194 HydrophobicContact CG-CZ 4.15Å; E87-F194 HydrophobicContact CG-CB 3.88Å; E87-F194 HydrophobicContact CG-CD2 3.85Å; E87-F194 HydrophobicContact CG-CG 3.93Å; E87-F194 VanDerWaalsContact OE1-CD2 3.32Å; E87-F194 WeakPolarHBondContact OE1-CD2 3.47Å; G190-F194 PolarHBondContact O-N 2.88Å; V191-F194 PolarHBondContact O-N 3.39Å; F194-A196 VanDerWaalsContact C-N 3.32Å; F194-A196 PolarHBondContact O-N 3.38Å; F194-T197 PolarHBondContact O-N 2.73Å; F194-T197 PolarHBondContact O-OG1 3.46Å; F194-G198 PolarHBondContact O-N 2.69Å; F194-G198 VanDerWaalsContact O-N 3.14Å; F194-G199 VanDerWaalsContact CE1-CA 3.45Å; F194-G199 PolarHBondContact O-N 2.85Å
195	L	56.1	Low	60.2	Low	24 Å²	24	51.4 Å²	51.4	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-38.8	177.1	-68.4	172.9	0	0	0	111.9	I72 C77 T79 V191 T197 G198	I72-L195 HydrophobicContact CD1-CD1 4.31Å; I72-L195 HydrophobicContact CG2-CD1 3.86Å; C77-L195 HydrophobicContact CB-CD2 4.08Å; T79-L195 WeakPolarHBondContact OG1-CD2 3.45Å; V191-L195 HydrophobicContact CG1-CD1 3.9Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.31Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 2.94Å; V191-L195 PolarHBondContact O-N 2.98Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 2.75Å; L195-G198 PolarHBondContact O-N 3.34Å
196	A	52.7	Low	57.1	Low	21 Å²	21	57.1 Å²	57.1	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-30.1	177	0	0	0	0	0	112.8	S192 A193 F194 V211 G212	S192-A196 VanDerWaalsContact O-CB 3.27Å; S192-A196 WeakPolarHBondContact O-CB 3.42Å; S192-A196 PolarHBondContact O-N 2.84Å; A193-A196 PolarHBondContact O-N 3.37Å; F194-A196 VanDerWaalsContact C-N 3.32Å; F194-A196 PolarHBondContact O-N 3.38Å; A196-V211 CarbonylContact O-C 3.52Å; A196-V211 WeakPolarHBondContact O-CG1 3.04Å; A196-G212 WeakPolarHBondContact O-CA 3.42Å; A196-G212 PolarHBondContact O-N 2.91Å; A196-G212 VanDerWaalsContact O-N 3.09Å
197	T	53.4	Low	54.1	Low	40 Å²	40	65.4 Å²	65.4	25%	0.245	35%	0.346	C	S	.	.	H	α-helix	trans	-93.9	1.6	178.8	58.2	0	0	0	0	114.5	R169 A193 F194 L195	R169-T197 HydrophobicContact CB-CG2 3.87Å; A193-T197 WeakPolarHBondContact O-CG2 3.37Å; A193-T197 PolarHBondContact O-N 3.21Å; A193-T197 PolarHBondContact O-OG1 2.8Å; F194-T197 PolarHBondContact O-N 2.73Å; F194-T197 PolarHBondContact O-OG1 3.46Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 2.75Å
198	G	50.8	Low	51.3	Low	51 Å²	51	75.7 Å²	75.7	53%	0.526	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	14.3	171.2	0	0	0	0	0	116.2	F194 L195	F194-G198 PolarHBondContact O-N 2.69Å; F194-G198 VanDerWaalsContact O-N 3.14Å; L195-G198 PolarHBondContact O-N 3.34Å
199	G	50.2	Low	49.2	Very low	12 Å²	12	78.3 Å²	78.3	12%	0.124	41%	0.408	C	S	.	.	S	Bend	trans	62.4	177.4	-175.2	0	0	0	0	0	114	F194 V201	F194-G199 VanDerWaalsContact CE1-CA 3.45Å; F194-G199 PolarHBondContact O-N 2.85Å; G199-V201 PolarHBondContact O-N 2.88Å
200	D	43.5	Very low	47.4	Very low	88 Å²	88	80.1 Å²	80.1	47%	0.471	42%	0.415	S	S	.	.			trans	-37.4	117.3	-167.4	-161.4	-21.3	0	0	0	114.9	T202 R203	D200-T202 PolarHBondContact O-N 3.38Å; D200-T202 WeakPolarHBondContact OD1-CB 3.4Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.44Å; D200-T202 PolarHBondContact OD1-N 2.93Å; D200-T202 VanDerWaalsContact OD1-N 3.11Å; D200-T202 PolarHBondContact OD1-OG1 2.8Å; D200-T202 PolarHBondContact OD2-OG1 3.05Å; D200-R203 PolarHBondContact O-N 3.3Å
201	V	45.1	Very low	45.7	Very low	91 Å²	91	83.3 Å²	83.3	55%	0.552	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.8	-179.8	-176	0	0	0	0	111.9	G199	G199-V201 PolarHBondContact O-N 2.88Å
202	T	36.9	Very low	44.9	Very low	107 Å²	107	84.7 Å²	84.7	66%	0.656	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-13	-179.4	62.4	0	0	0	0	114.7	D200 N204	D200-T202 PolarHBondContact O-N 3.38Å; D200-T202 WeakPolarHBondContact OD1-CB 3.4Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.44Å; D200-T202 PolarHBondContact OD1-N 2.93Å; D200-T202 VanDerWaalsContact OD1-N 3.11Å; D200-T202 PolarHBondContact OD1-OG1 2.8Å; D200-T202 PolarHBondContact OD2-OG1 3.05Å; T202-N204 PolarHBondContact O-N 3.32Å
203	R	36.5	Very low	44.9	Very low	195 Å²	195	85.6 Å²	85.6	74%	0.736	45%	0.452	S	S	*	.			trans	-88.9	88.9	178.3	-87.6	180	69.6	172.5	-1.2	113	D200 K205	D200-R203 PolarHBondContact O-N 3.3Å; R203-K205 PolarHBondContact O-N 3.46Å
204	N	36.4	Very low	45.2	Very low	164 Å²	164	86.5 Å²	86.5	88%	0.877	46%	0.458	S	S	*	.			trans	-63.8	20.8	177.7	-127.4	-6.2	0	0	0	116.9	T202	T202-N204 PolarHBondContact O-N 3.32Å
205	K	36.3	Very low	45.7	Very low	183 Å²	183	86.4 Å²	86.4	80%	0.796	46%	0.46	S	S	*	.	S	Bend	trans	-143.2	115.8	-177.3	-75.9	-173.8	178.5	174.2	0	112.5	R203	R203-K205 PolarHBondContact O-N 3.46Å
206	V	32.1	Very low	47.1	Very low	128 Å²	128	86.8 Å²	86.8	78%	0.776	46%	0.459	S	S	*	.	S	Bend	trans	90	63.5	160.2	-156.4	0	0	0	0	117
207	R	34.3	Very low	48.4	Very low	175 Å²	175	86.9 Å²	86.9	66%	0.66	46%	0.456	S	S	*	.				171.6	132.6	121.2	-91.8	167.5	-176.3	-176.6	-1.7	110.2	T209	R207-T209 PolarHBondContact O-N 2.95Å
208	K	31	Very low	49.3	Very low	220 Å²	220	85 Å²	85	96%	0.957	45%	0.445	S	S	*	.			trans	-84.9	17	174.8	-66.4	-176.6	178	179.5	0	112.9	F210	K208-F210 PolarHBondContact O-N 3.17Å
209	T	37.2	Very low	50.5	Low	95 Å²	95	82.9 Å²	82.9	58%	0.583	42%	0.422	S	S	*	.			trans	-81.1	116.6	178.3	32.3	0	0	0	0	108.7	R207 V211	R207-T209 PolarHBondContact O-N 2.95Å; T209-V211 VanDerWaalsContact C-N 3.31Å; T209-V211 WeakPolarHBondContact O-CG2 3.32Å; T209-V211 PolarHBondContact O-N 2.88Å
210	F	35.5	Very low	51.8	Low	51 Å²	51	83.5 Å²	83.5	22%	0.224	42%	0.422	C	S	.	.			trans	-66.9	89.6	173.8	-157.8	-90.4	0	0	0	108.2	K208 P214 M217 M222 M257 L260	K208-F210 PolarHBondContact O-N 3.17Å; F210-P214 HydrophobicContact CD1-CB 4.13Å; F210-P214 HydrophobicContact CE1-CB 3.82Å; F210-M217 HydrophobicContact CD1-SD 4.46Å; F210-M217 HydrophobicContact CE1-CE 3.81Å; F210-M217 HydrophobicContact CE1-SD 3.53Å; F210-M217 VanDerWaalsContact CE1-SD 3.53Å; F210-M217 HydrophobicContact CZ-CE 3.72Å; F210-M217 HydrophobicContact CZ-SD 4.03Å; F210-M222 HydrophobicContact CZ-CG 3.91Å; F210-M257 HydrophobicContact CB-CE 4.41Å; F210-M257 HydrophobicContact CD2-CE 4.17Å; F210-M257 HydrophobicContact CG-CE 4.37Å; F210-L260 HydrophobicContact CE2-CD1 4.04Å; F210-L260 HydrophobicContact CE2-CD2 4.23Å; F210-L260 HydrophobicContact CZ-CD1 4.18Å
211	V	39.1	Very low	53.1	Low	74 Å²	74	80.4 Å²	80.4	45%	0.448	41%	0.406	S	S	.	.			trans	-85.8	128.8	177.3	-165.7	0	0	0	0	107.7	A196 T209	A196-V211 CarbonylContact O-C 3.52Å; A196-V211 WeakPolarHBondContact O-CG1 3.04Å; T209-V211 VanDerWaalsContact C-N 3.31Å; T209-V211 WeakPolarHBondContact O-CG2 3.32Å; T209-V211 PolarHBondContact O-N 2.88Å
212	G	49.7	Very low	54.1	Low	28 Å²	28	76.5 Å²	76.5	29%	0.289	38%	0.382	S	S	.	.	S	Bend	trans	147.4	178.1	-178.6	0	0	0	0	0	112.1	A196 P214	A196-G212 WeakPolarHBondContact O-CA 3.42Å; A196-G212 PolarHBondContact O-N 2.91Å; A196-G212 VanDerWaalsContact O-N 3.09Å; G212-P214 WeakPolarHBondContact O-CD 3.43Å
213	T	61.5	Low	55.5	Low	34 Å²	34	76.8 Å²	76.8	21%	0.209	38%	0.376	C	S	.	.			trans	-96.2	84.4	170.5	-38.3	0	0	0	0	108.8	D170 K172 C215 W216	D170-T213 PolarHBondContact OD1-OG1 2.89Å; K172-T213 HydrophobicContact CD-CG2 4.18Å; K172-T213 PolarHBondContact NZ-OG1 3.3Å; T213-C215 PolarHBondContact O-N 2.93Å; T213-W216 HydrophobicContact CG2-CD2 4.16Å; T213-W216 HydrophobicContact CG2-CE3 3.17Å; T213-W216 HydrophobicContact CG2-CH2 4.19Å; T213-W216 HydrophobicContact CG2-CZ3 3.2Å; T213-W216 PolarHBondContact O-N 2.97Å
214	P	64.9	Low	56.8	Low	19 Å²	19	74.1 Å²	74.1	12%	0.123	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.4	-160.5	22.9	-36.4	0	0	0	114.4	F210 G212 W216 M217 M222 P256 V259	F210-P214 HydrophobicContact CD1-CB 4.13Å; F210-P214 HydrophobicContact CE1-CB 3.82Å; G212-P214 WeakPolarHBondContact O-CD 3.43Å; P214-W216 PolarHBondContact O-N 3.22Å; P214-M217 PolarHBondContact O-N 3.24Å; P214-M222 WeakPolarHBondContact O-CE 3.43Å; P214-P256 HydrophobicContact CB-CB 4.46Å; P214-P256 HydrophobicContact CG-CB 3.99Å; P214-P256 HydrophobicContact CG-CG 4.24Å; P214-V259 HydrophobicContact CB-CB 4.41Å; P214-V259 HydrophobicContact CB-CG1 4.14Å
215	C	77.2	Confident	57.4	Low	15 Å²	15	72.1 Å²	72.1	10%	0.101	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-70.1	-17.9	-178.4	-57.1	0	0	0	0	113.8	T213 I239 A249 V259	T213-C215 PolarHBondContact O-N 2.93Å; C215-I239 WeakPolarHBondContact O-CG2 3.44Å; C215-A249 HydrophobicContact CB-CB 3.48Å; C215-A249 VanDerWaalsContact CB-CB 3.48Å; C215-V259 HydrophobicContact CB-CG1 4.39Å
216	W	84.9	Confident	58.1	Low	32 Å²	32	73.8 Å²	73.8	12%	0.121	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-103.6	-7.7	179.8	-67.2	-109.2	0	0	0	112.7	K172 T213 P214 S236 I239 E243 A249	K172-W216 HydrophobicContact CB-CD2 4.18Å; K172-W216 HydrophobicContact CB-CG 4.13Å; K172-W216 HydrophobicContact CB-CZ2 4.45Å; T213-W216 HydrophobicContact CG2-CD2 4.16Å; T213-W216 HydrophobicContact CG2-CE3 3.17Å; T213-W216 HydrophobicContact CG2-CH2 4.19Å; T213-W216 HydrophobicContact CG2-CZ3 3.2Å; T213-W216 PolarHBondContact O-N 2.97Å; P214-W216 PolarHBondContact O-N 3.22Å; W216-S236 WeakPolarHBondContact O-CA 3.48Å; W216-S236 WeakPolarHBondContact O-CB 3.48Å; W216-S236 PolarHBondContact O-OG 3.22Å; W216-I239 HydrophobicContact CB-CG2 4.29Å; W216-I239 VanDerWaalsContact CD1-CG2 3.45Å; W216-I239 HydrophobicContact CD2-CG2 4.08Å; W216-I239 HydrophobicContact CG-CB 4.23Å; W216-I239 HydrophobicContact CG-CG2 3.67Å; W216-E243 VanDerWaalsContact CZ2-CD 3.43Å; W216-E243 HydrophobicContact CZ2-CG 4.28Å; W216-E243 WeakPolarHBondContact CZ2-OE1 3.39Å; W216-E243 WeakPolarHBondContact CZ2-OE2 3.46Å; W216-E243 PolarHBondContact NE1-OE2 3.5Å; W216-A249 HydrophobicContact CD2-CB 4.19Å; W216-A249 HydrophobicContact CE3-CB 4.22Å; W216-A249 HydrophobicContact CH2-CB 3.65Å; W216-A249 HydrophobicContact CZ2-CB 3.59Å; W216-A249 HydrophobicContact CZ3-CB 3.97Å
217	M	79.4	Confident	59.5	Low	23 Å²	23	71.3 Å²	71.3	11%	0.113	37%	0.366	C	S	.	.			trans	-76.5	140.7	-176.3	-69.4	172.9	68.8	0	0	111.4	F210 P214 V221 M222 W235	F210-M217 HydrophobicContact CD1-SD 4.46Å; F210-M217 HydrophobicContact CE1-CE 3.81Å; F210-M217 HydrophobicContact CE1-SD 3.53Å; F210-M217 VanDerWaalsContact CE1-SD 3.53Å; F210-M217 HydrophobicContact CZ-CE 3.72Å; F210-M217 HydrophobicContact CZ-SD 4.03Å; P214-M217 PolarHBondContact O-N 3.24Å; M217-V221 HydrophobicContact CE-CB 4.45Å; M217-V221 HydrophobicContact CE-CG1 3.57Å; M217-M222 HydrophobicContact CB-CE 3.94Å; M217-M222 HydrophobicContact CB-CG 4.47Å; M217-W235 PolarHBondContact O-NE1 3.2Å; M217-W235 VanDerWaalsContact O-NE1 3.12Å
218	A	72.8	Confident	61.4	Low	1 Å²	1	65.3 Å²	65.3	1%	0.008	34%	0.344	C	S	.	.			trans	-76	152.6	178.2	0	0	0	0	0	111.9	E220 V221 M222 A232 W235	A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 VanDerWaalsContact CB-CD 3.5Å; A218-E220 WeakPolarHBondContact CB-OE1 3.41Å; A218-E220 VanDerWaalsContact CB-OE2 3.31Å; A218-E220 WeakPolarHBondContact CB-OE2 3.47Å; A218-E220 PolarHBondContact O-N 2.9Å; A218-V221 HydrophobicContact CB-CG2 4.02Å; A218-V221 WeakPolarHBondContact O-CB 3.27Å; A218-V221 PolarHBondContact O-N 3.08Å; A218-V221 VanDerWaalsContact O-N 3.09Å; A218-M222 PolarHBondContact O-N 3.28Å; A218-A232 HydrophobicContact CB-CB 4.3Å; A218-W235 HydrophobicContact CB-CB 3.7Å; A218-W235 HydrophobicContact CB-CD2 4.31Å; A218-W235 HydrophobicContact CB-CG 3.71Å
219	P	75.9	Confident	63.9	Low	5 Å²	5	58.3 Å²	58.3	3%	0.032	32%	0.317	C	S	.	.	H	α-helix	trans	-54.7	-39.7	179.9	-27.4	35.2	0	0	0	114.4	V221 M222 E223 W235 T263 L264 K298	P219-V221 VanDerWaalsContact C-N 3.33Å; P219-V221 PolarHBondContact O-N 3.31Å; P219-M222 VanDerWaalsContact O-CB 3.23Å; P219-M222 WeakPolarHBondContact O-CB 3.41Å; P219-M222 PolarHBondContact O-N 3.43Å; P219-M222 VanDerWaalsContact O-N 3.17Å; P219-E223 WeakPolarHBondContact O-CG 3.41Å; P219-E223 PolarHBondContact O-N 2.91Å; P219-W235 HydrophobicContact CG-CE3 4.36Å; P219-W235 HydrophobicContact CG-CH2 3.82Å; P219-W235 HydrophobicContact CG-CZ2 4.11Å; P219-W235 HydrophobicContact CG-CZ3 3.95Å; P219-T263 HydrophobicContact CG-CG2 4.21Å; P219-L264 HydrophobicContact CB-CD2 3.87Å; P219-L264 WeakPolarHBondContact O-CD2 3.42Å; P219-K298 HydrophobicContact CB-CD 4.26Å; P219-K298 HydrophobicContact CG-CD 3.62Å
220	E	76.9	Confident	66.4	Low	26 Å²	26	56.9 Å²	56.9	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-70.9	-28.9	179.8	69.8	-78.9	-168.9	0	0	112.8	A218 M222 P300 R303	A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 VanDerWaalsContact CB-CD 3.5Å; A218-E220 WeakPolarHBondContact CB-OE1 3.41Å; A218-E220 VanDerWaalsContact CB-OE2 3.31Å; A218-E220 WeakPolarHBondContact CB-OE2 3.47Å; A218-E220 PolarHBondContact O-N 2.9Å; E220-M222 VanDerWaalsContact C-N 3.27Å; E220-P300 HydrophobicContact CB-CG 4.15Å; E220-P300 VanDerWaalsContact CD-CG 3.45Å; E220-P300 HydrophobicContact CG-CG 3.74Å; E220-R303 IonicContact OE1-CZ 3.53Å; E220-R303 IonicContact OE1-NH1 2.86Å; E220-R303 PolarHBondContact OE1-NH1 3.3Å; E220-R303 IonicContact OE1-NH2 2.78Å; E220-R303 PolarHBondContact OE1-NH2 2.89Å; E220-R303 IonicContact OE2-CZ 3.31Å; E220-R303 IonicContact OE2-NH1 2.98Å; E220-R303 PolarHBondContact OE2-NH1 3.27Å; E220-R303 IonicContact OE2-NH2 3.5Å; E220-R303 PolarHBondContact OE2-NH2 3.27Å
221	V	72.1	Confident	69.1	Low	22 Å²	22	55.6 Å²	55.6	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-35.1	172.7	-175.9	0	0	0	0	109.7	M217 A218 P219 Y228 A232	M217-V221 HydrophobicContact CE-CB 4.45Å; M217-V221 HydrophobicContact CE-CG1 3.57Å; A218-V221 HydrophobicContact CB-CG2 4.02Å; A218-V221 WeakPolarHBondContact O-CB 3.27Å; A218-V221 PolarHBondContact O-N 3.08Å; A218-V221 VanDerWaalsContact O-N 3.09Å; P219-V221 VanDerWaalsContact C-N 3.33Å; P219-V221 PolarHBondContact O-N 3.31Å; V221-Y228 HydrophobicContact CB-CD1 4.3Å; V221-Y228 HydrophobicContact CG1-CD1 4.05Å; V221-Y228 HydrophobicContact CG1-CE1 3.95Å; V221-Y228 HydrophobicContact CG2-CD1 3.89Å; V221-Y228 HydrophobicContact CG2-CD2 3.96Å; V221-Y228 HydrophobicContact CG2-CE1 4.36Å; V221-Y228 HydrophobicContact CG2-CE2 4.41Å; V221-Y228 HydrophobicContact CG2-CG 3.68Å; V221-A232 HydrophobicContact CG2-CB 3.71Å
222	M	66.4	Low	71.6	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-34.5	178.2	-77.7	178.4	177.1	0	0	113.4	F210 P214 M217 A218 P219 E220 L260 T263 L264	F210-M222 HydrophobicContact CZ-CG 3.91Å; P214-M222 WeakPolarHBondContact O-CE 3.43Å; M217-M222 HydrophobicContact CB-CE 3.94Å; M217-M222 HydrophobicContact CB-CG 4.47Å; A218-M222 PolarHBondContact O-N 3.28Å; P219-M222 VanDerWaalsContact O-CB 3.23Å; P219-M222 WeakPolarHBondContact O-CB 3.41Å; P219-M222 PolarHBondContact O-N 3.43Å; P219-M222 VanDerWaalsContact O-N 3.17Å; E220-M222 VanDerWaalsContact C-N 3.27Å; M222-L260 HydrophobicContact CB-CD1 3.32Å; M222-L260 HydrophobicContact CG-CD1 3.39Å; M222-L260 HydrophobicContact SD-CD1 3.53Å; M222-L260 VanDerWaalsContact SD-CD1 3.53Å; M222-T263 HydrophobicContact CE-CG2 3.79Å; M222-T263 HydrophobicContact SD-CG2 3.57Å; M222-T263 VanDerWaalsContact SD-CG2 3.57Å; M222-L264 HydrophobicContact CB-CD1 4.44Å; M222-L264 HydrophobicContact CB-CD2 3.97Å; M222-L264 HydrophobicContact CB-CG 4.4Å; M222-L264 HydrophobicContact SD-CD2 4.43Å; M222-L264 HydrophobicContact SD-CG 4.45Å
223	E	64.9	Low	73.7	Confident	113 Å²	113	50.9 Å²	50.9	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-75.1	-23.1	-176.5	-76.3	175.2	174.8	0	0	114	P219 V225 L264	P219-E223 WeakPolarHBondContact O-CG 3.41Å; P219-E223 PolarHBondContact O-N 2.91Å; E223-V225 HydrophobicContact CB-CG2 4.35Å; E223-V225 VanDerWaalsContact O-CG2 3.27Å; E223-V225 WeakPolarHBondContact O-CG2 3.25Å; E223-V225 PolarHBondContact O-N 3.32Å; E223-L264 HydrophobicContact CG-CD1 4.41Å; E223-L264 HydrophobicContact CG-CD2 3.81Å
224	Q	64.4	Low	75.4	Confident	138 Å²	138	49.3 Å²	49.3	65%	0.645	25%	0.254	S	S	*	.			trans	56.4	9.9	177.2	-57.8	-177.1	-23	0	0	116
225	V	49	Very low	77	Confident	122 Å²	122	48.5 Å²	48.5	74%	0.739	25%	0.248	S	C	*	.	S	Bend	trans	-81.9	-30.3	-174.3	-175.6	0	0	0	0	113	E223	E223-V225 HydrophobicContact CB-CG2 4.35Å; E223-V225 VanDerWaalsContact O-CG2 3.27Å; E223-V225 WeakPolarHBondContact O-CG2 3.25Å; E223-V225 PolarHBondContact O-N 3.32Å
226	R	51.8	Low	77.9	Confident	219 Å²	219	48 Å²	48	83%	0.826	25%	0.245	S	C	*	.	S	Bend	trans	-138.3	147.6	174.8	-70.2	-176.6	176.5	-163.9	-1.8	107.8
227	G	61.1	Low	78.5	Confident	76 Å²	76	46.5 Å²	46.5	78%	0.784	24%	0.24	S	C	*	.			trans	-52	147.4	169.4	0	0	0	0	0	110.8
228	Y	74	Confident	79.4	Confident	49 Å²	49	45.4 Å²	45.4	19%	0.192	23%	0.234	C	C	.	.			trans	-98.7	158.8	177.8	63.9	-91.7	0	0	0	111	I167 R169 V221 A232	I167-Y228 HydrophobicContact CD1-CD2 4.47Å; I167-Y228 HydrophobicContact CD1-CE2 4.41Å; I167-Y228 HydrophobicContact CG2-CE2 4.16Å; R169-Y228 WeakPolarHBondContact CD-OH 3.34Å; R169-Y228 HydrophobicContact CG-CE2 4.16Å; R169-Y228 WeakPolarHBondContact CG-OH 3.46Å; R169-Y228 PolarHBondContact NE-OH 3.06Å; V221-Y228 HydrophobicContact CB-CD1 4.3Å; V221-Y228 HydrophobicContact CG1-CD1 4.05Å; V221-Y228 HydrophobicContact CG1-CE1 3.95Å; V221-Y228 HydrophobicContact CG2-CD1 3.89Å; V221-Y228 HydrophobicContact CG2-CD2 3.96Å; V221-Y228 HydrophobicContact CG2-CE1 4.36Å; V221-Y228 HydrophobicContact CG2-CE2 4.41Å; V221-Y228 HydrophobicContact CG2-CG 3.68Å; Y228-A232 HydrophobicContact CD2-CB 3.69Å; Y228-A232 HydrophobicContact CE2-CB 4.29Å; Y228-A232 HydrophobicContact CG-CB 4.43Å
229	D	83.8	Confident	80.7	Confident	72 Å²	72	45.5 Å²	45.5	39%	0.385	23%	0.234	S	C	.	.			trans	-112.4	-171.9	178.5	71.3	9.4	0	0	0	111.8	K231 A232	D229-K231 PolarHBondContact O-N 2.76Å; D229-K231 VanDerWaalsContact O-N 3.08Å; D229-K231 WeakPolarHBondContact OD1-CA 3.45Å; D229-K231 WeakPolarHBondContact OD1-CB 3.42Å; D229-K231 WeakPolarHBondContact OD1-CG 3.26Å; D229-K231 PolarHBondContact OD1-N 2.95Å; D229-A232 WeakPolarHBondContact O-CB 3.27Å; D229-A232 PolarHBondContact O-N 2.89Å; D229-A232 VanDerWaalsContact O-N 3.11Å
230	F	88.3	Confident	81.7	Confident	65 Å²	65	45.3 Å²	45.3	29%	0.285	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.8	-179.9	66.8	-93.4	0	0	0	114.4	H162 I167 A232 D233 T305	H162-F230 HydrophobicContact CB-CB 4.24Å; H162-F230 HydrophobicContact CB-CD2 4.06Å; H162-F230 HydrophobicContact CB-CG 4.17Å; H162-F230 PolarHBondContact CE1-O 3.29Å; H162-F230 AromaticContact CG-CD2 3.77Å; H162-F230 AromaticContact CG-CG 3.97Å; H162-F230 AromaticContact ND1-CD2 3.45Å; H162-F230 WeakPolarHBondContact ND1-CD2 3.29Å; I167-F230 HydrophobicContact CG1-CB 4.2Å; F230-A232 PolarHBondContact O-N 3.31Å; F230-D233 WeakPolarHBondContact O-CB 3.45Å; F230-D233 PolarHBondContact O-N 2.79Å; F230-T305 HydrophobicContact CE2-CG2 4.24Å
231	K	93.7	Very high	82.8	Confident	24 Å²	24	44.1 Å²	44.1	10%	0.104	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-17.2	173.8	-59	-61.4	-168.3	72.8	0	112.4	D229 D233 M234 W235 P300 R303	D229-K231 PolarHBondContact O-N 2.76Å; D229-K231 VanDerWaalsContact O-N 3.08Å; D229-K231 WeakPolarHBondContact OD1-CA 3.45Å; D229-K231 WeakPolarHBondContact OD1-CB 3.42Å; D229-K231 WeakPolarHBondContact OD1-CG 3.26Å; D229-K231 PolarHBondContact OD1-N 2.95Å; K231-D233 VanDerWaalsContact C-N 3.32Å; K231-M234 HydrophobicContact CD-CG 4.44Å; K231-M234 WeakPolarHBondContact O-CB 3.22Å; K231-M234 PolarHBondContact O-N 3.5Å; K231-W235 PolarHBondContact O-N 3.01Å; K231-P300 HydrophobicContact CB-CB 3.89Å; K231-P300 HydrophobicContact CG-CB 4.47Å; K231-P300 WeakPolarHBondContact CG-O 3.13Å; K231-P300 PolarHBondContact NZ-O 3.24Å; K231-R303 HydrophobicContact CD-CB 4.4Å; K231-R303 WeakPolarHBondContact CE-O 3.49Å; K231-R303 PolarHBondContact NZ-O 3.26Å; K231-R303 WeakPolarHBondContact O-CD 3.39Å; K231-R303 PolarHBondContact O-NH1 2.85Å
232	A	90.7	Very high	84	Confident	4 Å²	4	43 Å²	43	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-43.2	169.6	0	0	0	0	0	111.3	A218 V221 Y228 D229 F230 M234 W235 S236	A218-A232 HydrophobicContact CB-CB 4.3Å; V221-A232 HydrophobicContact CG2-CB 3.71Å; Y228-A232 HydrophobicContact CD2-CB 3.69Å; Y228-A232 HydrophobicContact CE2-CB 4.29Å; Y228-A232 HydrophobicContact CG-CB 4.43Å; D229-A232 WeakPolarHBondContact O-CB 3.27Å; D229-A232 PolarHBondContact O-N 2.89Å; D229-A232 VanDerWaalsContact O-N 3.11Å; F230-A232 PolarHBondContact O-N 3.31Å; A232-M234 PolarHBondContact O-N 3.28Å; A232-W235 WeakPolarHBondContact O-CB 3.42Å; A232-W235 PolarHBondContact O-N 3.26Å; A232-W235 VanDerWaalsContact O-N 3.1Å; A232-S236 PolarHBondContact O-N 2.75Å; A232-S236 VanDerWaalsContact O-N 3.13Å; A232-S236 PolarHBondContact O-OG 2.87Å
233	D	94.1	Very high	85.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-31.8	177.3	-69.9	-22.3	0	0	0	111.9	L158 H162 H168 R169 F230 K231 W235 S236 F237	L158-D233 HydrophobicContact CD2-CB 4.21Å; H162-D233 IonicContact CD2-OD2 2.74Å; H162-D233 IonicContact CE1-OD2 3.39Å; H162-D233 IonicContact NE2-OD2 3.93Å; H162-D233 PolarHBondContact NE2-OD2 2.86Å; H168-D233 WeakPolarHBondContact CB-OD2 3.23Å; H168-D233 PolarHBondContact N-OD1 2.8Å; H168-D233 PolarHBondContact N-OD2 3.39Å; R169-D233 PolarHBondContact N-OD1 3.21Å; F230-D233 WeakPolarHBondContact O-CB 3.45Å; F230-D233 PolarHBondContact O-N 2.79Å; K231-D233 VanDerWaalsContact C-N 3.32Å; D233-W235 VanDerWaalsContact C-N 3.32Å; D233-W235 PolarHBondContact O-N 3.32Å; D233-S236 PolarHBondContact O-N 2.75Å; D233-F237 VanDerWaalsContact O-CB 3.3Å; D233-F237 WeakPolarHBondContact O-CB 3.34Å; D233-F237 PolarHBondContact O-N 3.33Å
234	M	98	Very high	87	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-31.8	178.5	-56.2	-51.6	-58.6	0	0	112.2	L155 K231 A232 G238 C295 R303 A306 L309	L155-M234 HydrophobicContact CD2-CE 3.88Å; K231-M234 HydrophobicContact CD-CG 4.44Å; K231-M234 WeakPolarHBondContact O-CB 3.22Å; K231-M234 PolarHBondContact O-N 3.5Å; A232-M234 PolarHBondContact O-N 3.28Å; M234-G238 PolarHBondContact O-N 3.43Å; M234-C295 WeakPolarHBondContact O-CB 3.32Å; M234-R303 HydrophobicContact CB-CB 4.37Å; M234-A306 HydrophobicContact CE-CB 4.34Å; M234-A306 HydrophobicContact SD-CB 4.18Å; M234-L309 HydrophobicContact CE-CB 4.31Å; M234-L309 HydrophobicContact CE-CD2 3.61Å
235	W	97.1	Very high	88.6	Confident	2 Å²	2	31 Å²	31	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-49.4	169.4	174.9	-79.3	0	0	0	110.8	M217 A218 P219 K231 A232 D233 F237 G238 I239 T263 P268 P269 L296 K298	M217-W235 PolarHBondContact O-NE1 3.2Å; M217-W235 VanDerWaalsContact O-NE1 3.12Å; A218-W235 HydrophobicContact CB-CB 3.7Å; A218-W235 HydrophobicContact CB-CD2 4.31Å; A218-W235 HydrophobicContact CB-CG 3.71Å; P219-W235 HydrophobicContact CG-CE3 4.36Å; P219-W235 HydrophobicContact CG-CH2 3.82Å; P219-W235 HydrophobicContact CG-CZ2 4.11Å; P219-W235 HydrophobicContact CG-CZ3 3.95Å; K231-W235 PolarHBondContact O-N 3.01Å; A232-W235 WeakPolarHBondContact O-CB 3.42Å; A232-W235 PolarHBondContact O-N 3.26Å; A232-W235 VanDerWaalsContact O-N 3.1Å; D233-W235 VanDerWaalsContact C-N 3.32Å; D233-W235 PolarHBondContact O-N 3.32Å; W235-F237 PolarHBondContact O-N 3.31Å; W235-G238 WeakPolarHBondContact O-CA 3.11Å; W235-G238 PolarHBondContact O-N 3.35Å; W235-I239 PolarHBondContact O-N 3.15Å; W235-T263 HydrophobicContact CZ2-CG2 3.92Å; W235-P268 HydrophobicContact CH2-CB 4.16Å; W235-P268 HydrophobicContact CZ3-CB 4.34Å; W235-P269 HydrophobicContact CZ2-CG 4.46Å; W235-L296 HydrophobicContact CD2-CD2 3.83Å; W235-L296 HydrophobicContact CE3-CB 4.48Å; W235-L296 HydrophobicContact CE3-CD2 4.08Å; W235-L296 HydrophobicContact CG-CD2 4.22Å; W235-L296 HydrophobicContact CZ2-CD2 4.31Å; W235-L296 HydrophobicContact CZ3-CB 4.29Å; W235-L296 HydrophobicContact CZ3-CD2 4.43Å; W235-K298 HydrophobicContact CH2-CD 4.32Å; W235-K298 HydrophobicContact CZ3-CD 4.42Å
236	S	96.5	Very high	90.8	Very high	6 Å²	6	26.4 Å²	26.4	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-34.7	177.7	-55.3	0	0	0	0	112.1	W216 A232 D233 I239 T240	W216-S236 WeakPolarHBondContact O-CA 3.48Å; W216-S236 WeakPolarHBondContact O-CB 3.48Å; W216-S236 PolarHBondContact O-OG 3.22Å; A232-S236 PolarHBondContact O-N 2.75Å; A232-S236 VanDerWaalsContact O-N 3.13Å; A232-S236 PolarHBondContact O-OG 2.87Å; D233-S236 PolarHBondContact O-N 2.75Å; S236-I239 PolarHBondContact O-N 3.34Å; S236-T240 WeakPolarHBondContact O-CB 3.21Å; S236-T240 PolarHBondContact O-N 3.34Å; S236-T240 PolarHBondContact O-OG1 3.5Å
237	F	98.6	Very high	92.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-43.8	171.6	176	-89.1	0	0	0	111.7	L151 V154 L155 L158 L171 D233 W235 T240 A241 L291 L309 F315	L151-F237 HydrophobicContact CB-CE2 3.92Å; L151-F237 HydrophobicContact CB-CZ 3.78Å; L151-F237 HydrophobicContact CD1-CE2 4.47Å; L151-F237 HydrophobicContact CD1-CZ 4Å; L151-F237 HydrophobicContact CD2-CD2 4.33Å; L151-F237 HydrophobicContact CD2-CE2 3.71Å; L151-F237 HydrophobicContact CD2-CZ 4.1Å; L151-F237 HydrophobicContact CG-CE2 4.24Å; L151-F237 HydrophobicContact CG-CZ 4.18Å; V154-F237 HydrophobicContact CB-CE2 4.41Å; V154-F237 HydrophobicContact CG1-CD2 3.97Å; V154-F237 HydrophobicContact CG1-CE2 4.11Å; L155-F237 HydrophobicContact CD1-CE1 4.38Å; L155-F237 HydrophobicContact CD1-CE2 4.21Å; L155-F237 HydrophobicContact CD1-CZ 3.73Å; L155-F237 HydrophobicContact CD2-CD1 4.44Å; L155-F237 HydrophobicContact CD2-CD2 3.96Å; L155-F237 HydrophobicContact CD2-CE1 4.2Å; L155-F237 HydrophobicContact CD2-CE2 3.66Å; L155-F237 HydrophobicContact CD2-CG 4.33Å; L155-F237 HydrophobicContact CD2-CZ 3.78Å; L155-F237 HydrophobicContact CG-CD2 4.3Å; L155-F237 HydrophobicContact CG-CE1 4.41Å; L155-F237 HydrophobicContact CG-CE2 3.52Å; L155-F237 HydrophobicContact CG-CZ 3.58Å; L158-F237 HydrophobicContact CD1-CB 4.39Å; L158-F237 HydrophobicContact CD1-CD2 4.07Å; L171-F237 HydrophobicContact CD2-CB 3.75Å; L171-F237 HydrophobicContact CD2-CD2 4.28Å; D233-F237 VanDerWaalsContact O-CB 3.3Å; D233-F237 WeakPolarHBondContact O-CB 3.34Å; D233-F237 PolarHBondContact O-N 3.33Å; W235-F237 PolarHBondContact O-N 3.31Å; F237-T240 PolarHBondContact O-N 3.37Å; F237-A241 WeakPolarHBondContact O-CB 3.47Å; F237-A241 PolarHBondContact O-N 3.37Å; F237-L291 HydrophobicContact CE1-CD2 4.39Å; F237-L309 HydrophobicContact CD1-CD2 3.82Å; F237-L309 HydrophobicContact CE1-CD2 3.52Å; F237-L309 HydrophobicContact CZ-CD2 4.3Å; F237-F315 HydrophobicContact CZ-CZ 4.08Å
238	G	98.5	Very high	94.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-42.3	174.2	0	0	0	0	0	113	M234 W235 A241 I242 L292	M234-G238 PolarHBondContact O-N 3.43Å; W235-G238 WeakPolarHBondContact O-CA 3.11Å; W235-G238 PolarHBondContact O-N 3.35Å; G238-A241 PolarHBondContact O-N 3.19Å; G238-I242 PolarHBondContact O-N 3.29Å; G238-L292 WeakPolarHBondContact O-CD2 3.39Å
239	I	98.1	Very high	95.2	Very high	3 Å²	3	12 Å²	12	2%	0.015	7%	0.069	C	C	.	.	H	α-helix	trans	-65.8	-42.8	174.8	-59.1	-60.7	0	0	0	111.1	C215 W216 W235 S236 A241 I242 E243 A249 P250 P269 L296	C215-I239 WeakPolarHBondContact O-CG2 3.44Å; W216-I239 HydrophobicContact CB-CG2 4.29Å; W216-I239 VanDerWaalsContact CD1-CG2 3.45Å; W216-I239 HydrophobicContact CD2-CG2 4.08Å; W216-I239 HydrophobicContact CG-CB 4.23Å; W216-I239 HydrophobicContact CG-CG2 3.67Å; W235-I239 PolarHBondContact O-N 3.15Å; S236-I239 PolarHBondContact O-N 3.34Å; I239-A241 VanDerWaalsContact C-N 3.28Å; I239-A241 PolarHBondContact O-N 3.47Å; I239-I242 WeakPolarHBondContact O-CB 3.44Å; I239-I242 PolarHBondContact O-N 3.38Å; I239-I242 VanDerWaalsContact O-N 3.09Å; I239-E243 PolarHBondContact O-N 3.1Å; I239-A249 HydrophobicContact CG2-CB 3.85Å; I239-P250 HydrophobicContact CD1-CG 4.13Å; I239-P269 HydrophobicContact CD1-CG 3.8Å; I239-L296 HydrophobicContact CD1-CD2 3.69Å; I239-L296 HydrophobicContact CG1-CD2 4.02Å
240	T	98.3	Very high	95.6	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-61.1	-38.2	177	-56	0	0	0	0	111.3	L171 K172 I176 S236 F237 I242 E243 L244	L171-T240 PolarHBondContact O-OG1 2.96Å; K172-T240 WeakPolarHBondContact CA-OG1 3.45Å; I176-T240 HydrophobicContact CD1-CG2 3.61Å; S236-T240 WeakPolarHBondContact O-CB 3.21Å; S236-T240 PolarHBondContact O-N 3.34Å; S236-T240 PolarHBondContact O-OG1 3.5Å; F237-T240 PolarHBondContact O-N 3.37Å; T240-I242 VanDerWaalsContact C-N 3.34Å; T240-I242 PolarHBondContact O-N 2.86Å; T240-E243 WeakPolarHBondContact O-CB 3.39Å; T240-E243 PolarHBondContact O-N 2.73Å; T240-L244 WeakPolarHBondContact O-CG 3.27Å; T240-L244 PolarHBondContact O-N 2.8Å
241	A	98.6	Very high	95.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.8	-39.5	174.3	0	0	0	0	0	112.3	L151 F237 G238 I239 A245 F288 L292	L151-A241 HydrophobicContact CD1-CB 3.57Å; F237-A241 WeakPolarHBondContact O-CB 3.47Å; F237-A241 PolarHBondContact O-N 3.37Å; G238-A241 PolarHBondContact O-N 3.19Å; I239-A241 VanDerWaalsContact C-N 3.28Å; I239-A241 PolarHBondContact O-N 3.47Å; A241-A245 PolarHBondContact O-N 2.94Å; A241-F288 HydrophobicContact CB-CE2 4.11Å; A241-F288 HydrophobicContact CB-CZ 4.18Å; A241-F288 WeakPolarHBondContact O-CZ 3.41Å; A241-L292 HydrophobicContact CB-CD2 3.54Å
242	I	98.2	Very high	95.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-48.2	171.9	-65.3	171.8	0	0	0	110	G238 I239 T240 L244 A245 T246 P250 L271 L292 L296	G238-I242 PolarHBondContact O-N 3.29Å; I239-I242 WeakPolarHBondContact O-CB 3.44Å; I239-I242 PolarHBondContact O-N 3.38Å; I239-I242 VanDerWaalsContact O-N 3.09Å; T240-I242 VanDerWaalsContact C-N 3.34Å; T240-I242 PolarHBondContact O-N 2.86Å; I242-L244 VanDerWaalsContact C-N 3.31Å; I242-L244 PolarHBondContact O-N 3.17Å; I242-A245 WeakPolarHBondContact O-CA 3.19Å; I242-A245 WeakPolarHBondContact O-CB 3.23Å; I242-A245 PolarHBondContact O-N 2.95Å; I242-T246 HydrophobicContact CG2-CG2 3.82Å; I242-T246 PolarHBondContact O-N 2.98Å; I242-T246 PolarHBondContact O-OG1 3.33Å; I242-P250 HydrophobicContact CD1-CG 3.82Å; I242-P250 HydrophobicContact CG2-CG 4.08Å; I242-L271 HydrophobicContact CG2-CD1 4.44Å; I242-L292 HydrophobicContact CG1-CD1 3.89Å; I242-L292 HydrophobicContact CG1-CD2 3.92Å; I242-L296 HydrophobicContact CD1-CD1 3.71Å
243	E	97.4	Very high	94.7	Very high	7 Å²	7	14.9 Å²	14.9	3%	0.033	8%	0.078	C	C	.	.	H	α-helix	trans	-55	-43	178.8	179.8	-173.8	-161.9	0	0	112.4	I128 A173 W216 I239 T240 A245 G247	I128-E243 HydrophobicContact CD1-CG 4.04Å; A173-E243 HydrophobicContact CB-CG 4.01Å; A173-E243 WeakPolarHBondContact CB-OE1 2.94Å; A173-E243 VanDerWaalsContact CB-OE2 3.27Å; A173-E243 WeakPolarHBondContact CB-OE2 3.29Å; A173-E243 PolarHBondContact N-OE2 2.95Å; W216-E243 VanDerWaalsContact CZ2-CD 3.43Å; W216-E243 HydrophobicContact CZ2-CG 4.28Å; W216-E243 WeakPolarHBondContact CZ2-OE1 3.39Å; W216-E243 WeakPolarHBondContact CZ2-OE2 3.46Å; W216-E243 PolarHBondContact NE1-OE2 3.5Å; I239-E243 PolarHBondContact O-N 3.1Å; T240-E243 WeakPolarHBondContact O-CB 3.39Å; T240-E243 PolarHBondContact O-N 2.73Å; E243-A245 PolarHBondContact O-N 3.26Å; E243-G247 CarbonylContact O-C 3.6Å; E243-G247 WeakPolarHBondContact O-CA 3.31Å; E243-G247 PolarHBondContact O-N 2.84Å
244	L	97.7	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.9	-26.9	175.7	-69.2	179.9	0	0	0	113.2	M124 I128 L142 I147 I150 L151 A173 T240 I242	M124-L244 HydrophobicContact CB-CD2 3.88Å; M124-L244 HydrophobicContact CE-CD2 3.96Å; M124-L244 HydrophobicContact CG-CD2 4.23Å; I128-L244 HydrophobicContact CD1-CD2 4.18Å; L142-L244 WeakPolarHBondContact CB-O 3.32Å; L142-L244 HydrophobicContact CD1-CB 4.2Å; L142-L244 HydrophobicContact CD1-CD2 4Å; L142-L244 WeakPolarHBondContact CG-O 3.5Å; L142-L244 PolarHBondContact N-O 3.48Å; I147-L244 HydrophobicContact CD1-CB 4.38Å; I147-L244 HydrophobicContact CG1-CB 4.19Å; I147-L244 HydrophobicContact CG2-CD1 4.36Å; I150-L244 HydrophobicContact CG2-CD1 4.47Å; L151-L244 HydrophobicContact CD1-CD1 4.42Å; L151-L244 HydrophobicContact CD2-CD1 3.66Å; L151-L244 HydrophobicContact CG-CD1 3.9Å; A173-L244 HydrophobicContact CB-CD2 4.15Å; T240-L244 WeakPolarHBondContact O-CG 3.27Å; T240-L244 PolarHBondContact O-N 2.8Å; I242-L244 VanDerWaalsContact C-N 3.31Å; I242-L244 PolarHBondContact O-N 3.17Å
245	A	97.3	Very high	92.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-89.5	-39.3	-178.3	0	0	0	0	0	113	G140 V141 I147 A241 I242 E243 L271 Y284 F288	G140-A245 WeakPolarHBondContact CA-O 3.47Å; V141-A245 PolarHBondContact N-O 3.19Å; I147-A245 HydrophobicContact CD1-CB 4.02Å; A241-A245 PolarHBondContact O-N 2.94Å; I242-A245 WeakPolarHBondContact O-CA 3.19Å; I242-A245 WeakPolarHBondContact O-CB 3.23Å; I242-A245 PolarHBondContact O-N 2.95Å; E243-A245 PolarHBondContact O-N 3.26Å; A245-L271 HydrophobicContact CB-CD1 3.69Å; A245-Y284 VanDerWaalsContact CA-OH 3.25Å; A245-Y284 WeakPolarHBondContact CA-OH 3.39Å; A245-Y284 HydrophobicContact CB-CD1 4.43Å; A245-Y284 HydrophobicContact CB-CE1 3.76Å; A245-Y284 HydrophobicContact CB-CE2 4.07Å; A245-Y284 PolarHBondContact O-OH 2.81Å; A245-F288 HydrophobicContact CB-CE1 3.96Å; A245-F288 HydrophobicContact CB-CZ 4.18Å
246	T	94.9	Very high	91.2	Very high	26 Å²	26	26.5 Å²	26.5	16%	0.16	14%	0.142	C	C	.	.	H	α-helix	trans	-103.4	-21.3	-172.9	63.6	0	0	0	0	113	I242 A248 L271 V275 M281	I242-T246 HydrophobicContact CG2-CG2 3.82Å; I242-T246 PolarHBondContact O-N 2.98Å; I242-T246 PolarHBondContact O-OG1 3.33Å; T246-A248 PolarHBondContact OG1-N 3.2Å; T246-A248 PolarHBondContact OG1-O 2.99Å; T246-L271 HydrophobicContact CG2-CD1 3.83Å; T246-V275 HydrophobicContact CG2-CG2 3.65Å; T246-M281 HydrophobicContact CG2-CE 4.18Å; T246-M281 HydrophobicContact CG2-SD 3.76Å
247	G	93.3	Very high	89.7	Confident	16 Å²	16	31.2 Å²	31.2	17%	0.165	17%	0.165	C	C	.	.	S	Bend	trans	91.9	-4.7	-174.9	0	0	0	0	0	114.8	I128 E243	I128-G247 VanDerWaalsContact CG2-CA 3.48Å; I128-G247 WeakPolarHBondContact CG2-O 3.43Å; E243-G247 CarbonylContact O-C 3.6Å; E243-G247 WeakPolarHBondContact O-CA 3.31Å; E243-G247 PolarHBondContact O-N 2.84Å
248	A	92.7	Very high	88.4	Confident	25 Å²	25	35.9 Å²	35.9	21%	0.207	19%	0.185	C	C	.	.	S	Bend	trans	-156.5	156.7	179	0	0	0	0	0	112.1	T246 H252	T246-A248 PolarHBondContact OG1-N 3.2Å; T246-A248 PolarHBondContact OG1-O 2.99Å; A248-H252 HydrophobicContact CB-CB 4.14Å; A248-H252 WeakPolarHBondContact CB-ND1 3.07Å
249	A	93.1	Very high	87.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.185	C	C	.	.			trans	-63.7	154.6	172.4	0	0	0	0	0	111.9	C215 W216 I239 Y251 H252	C215-A249 HydrophobicContact CB-CB 3.48Å; C215-A249 VanDerWaalsContact CB-CB 3.48Å; W216-A249 HydrophobicContact CD2-CB 4.19Å; W216-A249 HydrophobicContact CE3-CB 4.22Å; W216-A249 HydrophobicContact CH2-CB 3.65Å; W216-A249 HydrophobicContact CZ2-CB 3.59Å; W216-A249 HydrophobicContact CZ3-CB 3.97Å; I239-A249 HydrophobicContact CG2-CB 3.85Å; A249-Y251 PolarHBondContact O-N 3.03Å; A249-Y251 VanDerWaalsContact O-N 3.08Å; A249-H252 WeakPolarHBondContact O-CB 3.15Å; A249-H252 PolarHBondContact O-N 3.18Å; A249-H252 PolarHBondContact O-ND1 3.45Å
250	P	92.1	Very high	85.9	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.032	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.5	-173.1	-28.6	34	0	0	0	115.6	I239 I242 P269 T273 G274	I239-P250 HydrophobicContact CD1-CG 4.13Å; I242-P250 HydrophobicContact CD1-CG 3.82Å; I242-P250 HydrophobicContact CG2-CG 4.08Å; P250-P269 HydrophobicContact CB-CB 3.75Å; P250-P269 HydrophobicContact CB-CG 4.44Å; P250-P269 HydrophobicContact CG-CB 3.72Å; P250-P269 HydrophobicContact CG-CG 4.08Å; P250-T273 WeakPolarHBondContact CA-O 3.48Å; P250-T273 HydrophobicContact CB-CG2 3.73Å; P250-G274 WeakPolarHBondContact O-CA 3.24Å
251	Y	88.2	Confident	84.7	Confident	24 Å²	24	42 Å²	42	9%	0.094	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	20.2	-174.3	-61.4	-40.1	0	0	0	113.6	A249 K253 Y254 V259 L262 T273	A249-Y251 PolarHBondContact O-N 3.03Å; A249-Y251 VanDerWaalsContact O-N 3.08Å; Y251-K253 PolarHBondContact O-N 3.17Å; Y251-Y254 HydrophobicContact CD1-CD2 4.12Å; Y251-Y254 HydrophobicContact CD1-CE2 4.06Å; Y251-Y254 HydrophobicContact CG-CD2 4.39Å; Y251-Y254 PolarHBondContact O-N 3.09Å; Y251-V259 HydrophobicContact CD2-CG1 4.48Å; Y251-L262 HydrophobicContact CD1-CD1 4.09Å; Y251-L262 HydrophobicContact CD2-CB 4.22Å; Y251-L262 HydrophobicContact CE1-CB 4.41Å; Y251-L262 HydrophobicContact CE1-CD1 4.33Å; Y251-L262 HydrophobicContact CE2-CB 3.94Å; Y251-L262 HydrophobicContact CG-CD1 4.34Å; Y251-T273 HydrophobicContact CD1-CG2 4.14Å; Y251-T273 HydrophobicContact CE1-CG2 3.43Å; Y251-T273 VanDerWaalsContact CE1-CG2 3.43Å
252	H	84.8	Confident	83.8	Confident	85 Å²	85	43.5 Å²	43.5	39%	0.394	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.1	-176.7	70.3	-84.7	0	0	0	114.9	A248 A249 Y254	A248-H252 HydrophobicContact CB-CB 4.14Å; A248-H252 WeakPolarHBondContact CB-ND1 3.07Å; A249-H252 WeakPolarHBondContact O-CB 3.15Å; A249-H252 PolarHBondContact O-N 3.18Å; A249-H252 PolarHBondContact O-ND1 3.45Å; H252-Y254 VanDerWaalsContact C-N 3.26Å; H252-Y254 PolarHBondContact O-N 2.73Å
253	K	80.8	Confident	83.1	Confident	111 Å²	111	43.7 Å²	43.7	48%	0.483	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.5	179.6	-58.6	-174.9	180	176.2	0	113.6	Y251 E276	Y251-K253 PolarHBondContact O-N 3.17Å; K253-E276 IonicContact NZ-OE1 3.11Å; K253-E276 PolarHBondContact NZ-OE1 2.7Å
254	Y	76.8	Confident	82.3	Confident	99 Å²	99	46.1 Å²	46.1	39%	0.388	24%	0.238	S	C	.	.	S	Bend	trans	-107.7	147.3	-172.4	-60	-55.5	0	0	0	112.2	Y251 H252 K258 V259 L262	Y251-Y254 HydrophobicContact CD1-CD2 4.12Å; Y251-Y254 HydrophobicContact CD1-CE2 4.06Å; Y251-Y254 HydrophobicContact CG-CD2 4.39Å; Y251-Y254 PolarHBondContact O-N 3.09Å; H252-Y254 VanDerWaalsContact C-N 3.26Å; H252-Y254 PolarHBondContact O-N 2.73Å; Y254-K258 HydrophobicContact CD1-CD 3.58Å; Y254-K258 VanDerWaalsContact CD1-CE 3.46Å; Y254-K258 HydrophobicContact CD1-CG 4.24Å; Y254-K258 HydrophobicContact CE1-CD 4.24Å; Y254-K258 HydrophobicContact CG-CD 3.95Å; Y254-K258 HydrophobicContact CG-CG 4.1Å; Y254-V259 WeakPolarHBondContact O-CG2 3.18Å; Y254-L262 HydrophobicContact CD2-CD1 3.36Å; Y254-L262 HydrophobicContact CE2-CD1 3.52Å; Y254-L262 HydrophobicContact CG-CD1 4.02Å
255	P	68	Low	81.6	Confident	83 Å²	83	52.7 Å²	52.7	54%	0.539	27%	0.268	S	S	.	.			trans	-65.6	155.8	173.7	27.5	-34.4	0	0	0	111.2	M257 K258 V259	P255-M257 VanDerWaalsContact C-N 3.28Å; P255-M257 PolarHBondContact O-N 3.1Å; P255-K258 HydrophobicContact CG-CB 4.02Å; P255-K258 WeakPolarHBondContact O-CB 3.31Å; P255-K258 PolarHBondContact O-N 2.98Å; P255-V259 PolarHBondContact O-N 3.31Å
256	P	71.5	Confident	81.3	Confident	64 Å²	64	56.2 Å²	56.2	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-49.4	-41.9	-171.8	-31.9	36.2	0	0	0	115.1	P214 K258 V259 L260	P214-P256 HydrophobicContact CB-CB 4.46Å; P214-P256 HydrophobicContact CG-CB 3.99Å; P214-P256 HydrophobicContact CG-CG 4.24Å; P256-K258 VanDerWaalsContact C-N 3.34Å; P256-K258 PolarHBondContact O-N 2.84Å; P256-V259 WeakPolarHBondContact O-CB 3.43Å; P256-V259 PolarHBondContact O-N 3.17Å; P256-L260 PolarHBondContact O-N 2.83Å
257	M	64.1	Low	81.2	Confident	105 Å²	105	61.7 Å²	61.7	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-69	-33	-179.4	-63.4	-80.5	62	0	0	113.6	F210 P255 L260 M261	F210-M257 HydrophobicContact CB-CE 4.41Å; F210-M257 HydrophobicContact CD2-CE 4.17Å; F210-M257 HydrophobicContact CG-CE 4.37Å; P255-M257 VanDerWaalsContact C-N 3.28Å; P255-M257 PolarHBondContact O-N 3.1Å; M257-L260 HydrophobicContact CE-CB 4.08Å; M257-L260 HydrophobicContact CE-CD2 3.36Å; M257-L260 HydrophobicContact CE-CG 4.33Å; M257-L260 WeakPolarHBondContact O-CB 3.41Å; M257-M261 WeakPolarHBondContact O-CG 3.28Å; M257-M261 PolarHBondContact O-N 3.12Å; M257-M261 VanDerWaalsContact O-N 3.15Å
258	K	72	Confident	81.2	Confident	99 Å²	99	62.7 Å²	62.7	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-73.4	-37	174.2	-176.7	167.4	-179.5	175.2	0	111.1	Y254 P255 P256 L260 M261 L262	Y254-K258 HydrophobicContact CD1-CD 3.58Å; Y254-K258 VanDerWaalsContact CD1-CE 3.46Å; Y254-K258 HydrophobicContact CD1-CG 4.24Å; Y254-K258 HydrophobicContact CE1-CD 4.24Å; Y254-K258 HydrophobicContact CG-CD 3.95Å; Y254-K258 HydrophobicContact CG-CG 4.1Å; P255-K258 HydrophobicContact CG-CB 4.02Å; P255-K258 WeakPolarHBondContact O-CB 3.31Å; P255-K258 PolarHBondContact O-N 2.98Å; P256-K258 VanDerWaalsContact C-N 3.34Å; P256-K258 PolarHBondContact O-N 2.84Å; K258-L260 VanDerWaalsContact C-N 3.33Å; K258-L260 PolarHBondContact O-N 3.35Å; K258-M261 PolarHBondContact O-N 2.96Å; K258-L262 HydrophobicContact CG-CD1 3.95Å; K258-L262 HydrophobicContact CG-CG 4.29Å; K258-L262 WeakPolarHBondContact O-CB 3.48Å; K258-L262 VanDerWaalsContact O-CG 3.23Å; K258-L262 WeakPolarHBondContact O-CG 3.35Å; K258-L262 PolarHBondContact O-N 3.2Å
259	V	74.2	Confident	81.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-45.8	172.7	177.7	0	0	0	0	110.7	P214 C215 Y251 Y254 P255 P256 L262 T263	P214-V259 HydrophobicContact CB-CB 4.41Å; P214-V259 HydrophobicContact CB-CG1 4.14Å; C215-V259 HydrophobicContact CB-CG1 4.39Å; Y251-V259 HydrophobicContact CD2-CG1 4.48Å; Y254-V259 WeakPolarHBondContact O-CG2 3.18Å; P255-V259 PolarHBondContact O-N 3.31Å; P256-V259 WeakPolarHBondContact O-CB 3.43Å; P256-V259 PolarHBondContact O-N 3.17Å; V259-L262 PolarHBondContact O-N 3.1Å; V259-T263 WeakPolarHBondContact O-CB 3.47Å; V259-T263 PolarHBondContact O-N 2.87Å; V259-T263 PolarHBondContact O-OG1 2.92Å
260	L	71.2	Confident	81.5	Confident	31 Å²	31	65.2 Å²	65.2	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-54.2	-55.2	174.5	174.5	66	0	0	0	111.1	F210 M222 P256 M257 K258 L262 T263 L264	F210-L260 HydrophobicContact CE2-CD1 4.04Å; F210-L260 HydrophobicContact CE2-CD2 4.23Å; F210-L260 HydrophobicContact CZ-CD1 4.18Å; M222-L260 HydrophobicContact CB-CD1 3.32Å; M222-L260 HydrophobicContact CG-CD1 3.39Å; M222-L260 HydrophobicContact SD-CD1 3.53Å; M222-L260 VanDerWaalsContact SD-CD1 3.53Å; P256-L260 PolarHBondContact O-N 2.83Å; M257-L260 HydrophobicContact CE-CB 4.08Å; M257-L260 HydrophobicContact CE-CD2 3.36Å; M257-L260 HydrophobicContact CE-CG 4.33Å; M257-L260 WeakPolarHBondContact O-CB 3.41Å; K258-L260 VanDerWaalsContact C-N 3.33Å; K258-L260 PolarHBondContact O-N 3.35Å; L260-L262 PolarHBondContact O-N 2.99Å; L260-T263 PolarHBondContact O-N 3.33Å; L260-L264 HydrophobicContact CD1-CD1 3.72Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 4.14Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.91Å
261	M	71.3	Confident	81.7	Confident	101 Å²	101	65 Å²	65	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-48.7	-178.5	-70.9	-176.2	72.4	0	0	112.4	M257 K258 T263 L264 Q265	M257-M261 WeakPolarHBondContact O-CG 3.28Å; M257-M261 PolarHBondContact O-N 3.12Å; M257-M261 VanDerWaalsContact O-N 3.15Å; K258-M261 PolarHBondContact O-N 2.96Å; M261-T263 VanDerWaalsContact C-N 3.27Å; M261-T263 PolarHBondContact O-N 3.47Å; M261-L264 PolarHBondContact O-N 3.46Å; M261-Q265 VanDerWaalsContact O-CB 3.28Å; M261-Q265 WeakPolarHBondContact O-CB 3.48Å; M261-Q265 WeakPolarHBondContact O-CG 3.46Å; M261-Q265 PolarHBondContact O-N 2.87Å
262	L	80.4	Confident	82	Confident	31 Å²	31	66 Å²	66	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-40.3	178.8	-67.7	170.5	0	0	0	111.3	Y251 Y254 K258 V259 L260 L264 N266	Y251-L262 HydrophobicContact CD1-CD1 4.09Å; Y251-L262 HydrophobicContact CD2-CB 4.22Å; Y251-L262 HydrophobicContact CE1-CB 4.41Å; Y251-L262 HydrophobicContact CE1-CD1 4.33Å; Y251-L262 HydrophobicContact CE2-CB 3.94Å; Y251-L262 HydrophobicContact CG-CD1 4.34Å; Y254-L262 HydrophobicContact CD2-CD1 3.36Å; Y254-L262 HydrophobicContact CE2-CD1 3.52Å; Y254-L262 HydrophobicContact CG-CD1 4.02Å; K258-L262 HydrophobicContact CG-CD1 3.95Å; K258-L262 HydrophobicContact CG-CG 4.29Å; K258-L262 WeakPolarHBondContact O-CB 3.48Å; K258-L262 VanDerWaalsContact O-CG 3.23Å; K258-L262 WeakPolarHBondContact O-CG 3.35Å; K258-L262 PolarHBondContact O-N 3.2Å; V259-L262 PolarHBondContact O-N 3.1Å; L260-L262 PolarHBondContact O-N 2.99Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 2.77Å; L262-N266 VanDerWaalsContact CD2-ND2 3.3Å; L262-N266 WeakPolarHBondContact CD2-ND2 3.42Å; L262-N266 VanDerWaalsContact O-CB 3.3Å; L262-N266 WeakPolarHBondContact O-CB 3.28Å; L262-N266 PolarHBondContact O-N 2.69Å; L262-N266 VanDerWaalsContact O-N 3.1Å
263	T	84.3	Confident	82.4	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-73.3	-21.8	-179.9	-54.4	0	0	0	0	112.8	P219 M222 W235 V259 L260 M261 K298	P219-T263 HydrophobicContact CG-CG2 4.21Å; M222-T263 HydrophobicContact CE-CG2 3.79Å; M222-T263 HydrophobicContact SD-CG2 3.57Å; M222-T263 VanDerWaalsContact SD-CG2 3.57Å; W235-T263 HydrophobicContact CZ2-CG2 3.92Å; V259-T263 WeakPolarHBondContact O-CB 3.47Å; V259-T263 PolarHBondContact O-N 2.87Å; V259-T263 PolarHBondContact O-OG1 2.92Å; L260-T263 PolarHBondContact O-N 3.33Å; M261-T263 VanDerWaalsContact C-N 3.27Å; M261-T263 PolarHBondContact O-N 3.47Å; T263-K298 PolarHBondContact O-NZ 3.25Å
264	L	79.7	Confident	82.6	Confident	58 Å²	58	59.9 Å²	59.9	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-91.5	-40.6	174.3	-66.8	179.9	0	0	0	112.3	P219 M222 E223 L260 M261 L262	P219-L264 HydrophobicContact CB-CD2 3.87Å; P219-L264 WeakPolarHBondContact O-CD2 3.42Å; M222-L264 HydrophobicContact CB-CD1 4.44Å; M222-L264 HydrophobicContact CB-CD2 3.97Å; M222-L264 HydrophobicContact CB-CG 4.4Å; M222-L264 HydrophobicContact SD-CD2 4.43Å; M222-L264 HydrophobicContact SD-CG 4.45Å; E223-L264 HydrophobicContact CG-CD1 4.41Å; E223-L264 HydrophobicContact CG-CD2 3.81Å; L260-L264 HydrophobicContact CD1-CD1 3.72Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 4.14Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.91Å; M261-L264 PolarHBondContact O-N 3.46Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 2.77Å
265	Q	84.2	Confident	83.1	Confident	138 Å²	138	56.5 Å²	56.5	65%	0.645	31%	0.31	S	S	*	.	H	α-helix	trans	-89.6	-33.5	-168.5	-64.5	176.4	-18.5	0	0	114.2	M261	M261-Q265 VanDerWaalsContact O-CB 3.28Å; M261-Q265 WeakPolarHBondContact O-CB 3.48Å; M261-Q265 WeakPolarHBondContact O-CG 3.46Å; M261-Q265 PolarHBondContact O-N 2.87Å
266	N	88.9	Confident	83.8	Confident	74 Å²	74	60.6 Å²	60.6	40%	0.396	32%	0.322	S	S	.	.	S	Bend	trans	-91.5	167.5	-176	-63.6	-12.7	0	0	0	111.9	L262 K298	L262-N266 VanDerWaalsContact CD2-ND2 3.3Å; L262-N266 WeakPolarHBondContact CD2-ND2 3.42Å; L262-N266 VanDerWaalsContact O-CB 3.3Å; L262-N266 WeakPolarHBondContact O-CB 3.28Å; L262-N266 PolarHBondContact O-N 2.69Å; L262-N266 VanDerWaalsContact O-N 3.1Å; N266-K298 WeakPolarHBondContact O-CE 3.27Å; N266-K298 PolarHBondContact O-NZ 3.43Å
267	D	92.9	Very high	84.6	Confident	141 Å²	141	61.6 Å²	61.6	75%	0.754	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-55.7	153	166.6	-71.3	-36.2	0	0	0	111.7
268	P	94.9	Very high	85.7	Confident	36 Å²	36	63.5 Å²	63.5	23%	0.234	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-53.6	142.3	176.3	-25	34.1	0	0	0	112.6	W235 L296 K298	W235-P268 HydrophobicContact CH2-CB 4.16Å; W235-P268 HydrophobicContact CZ3-CB 4.34Å; P268-L296 HydrophobicContact CB-CB 4.07Å; P268-L296 WeakPolarHBondContact CB-O 3.29Å; P268-L296 VanDerWaalsContact CG-O 3.28Å; P268-L296 WeakPolarHBondContact CG-O 3.46Å; P268-K298 HydrophobicContact CG-CD 4.28Å; P268-K298 HydrophobicContact CG-CG 4.13Å
269	P	95.6	Very high	86.4	Confident	8 Å²	8	64.2 Å²	64.2	5%	0.052	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-65.2	150.1	-177.4	25.7	-31.7	0	0	0	111.5	W235 I239 P250 T273 L296	W235-P269 HydrophobicContact CZ2-CG 4.46Å; I239-P269 HydrophobicContact CD1-CG 3.8Å; P250-P269 HydrophobicContact CB-CB 3.75Å; P250-P269 HydrophobicContact CB-CG 4.44Å; P250-P269 HydrophobicContact CG-CB 3.72Å; P250-P269 HydrophobicContact CG-CG 4.08Å; P269-T273 HydrophobicContact CB-CG2 3.96Å; P269-L296 HydrophobicContact CG-CD1 4.25Å; P269-L296 WeakPolarHBondContact O-CD1 3.48Å
270	T	96.6	Very high	86.9	Confident	71 Å²	71	65.9 Å²	65.9	44%	0.436	34%	0.342	S	S	.	.			trans	-111.9	176	173	71.3	0	0	0	0	110.7	E272 T273	T270-E272 PolarHBondContact O-N 2.93Å; T270-E272 PolarHBondContact OG1-N 2.94Å; T270-E272 PolarHBondContact OG1-OE2 2.85Å; T270-T273 PolarHBondContact N-OG1 3.02Å; T270-T273 VanDerWaalsContact O-CB 3.25Å; T270-T273 WeakPolarHBondContact O-CB 3.21Å; T270-T273 PolarHBondContact O-N 2.72Å; T270-T273 PolarHBondContact O-OG1 3.29Å; T270-T273 PolarHBondContact OG1-OG1 3.12Å
271	L	95.3	Very high	87.9	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.3	176.4	-176.2	59.9	0	0	0	113.3	I242 A245 T246 T273 M281 Y284 F288 L292	I242-L271 HydrophobicContact CG2-CD1 4.44Å; A245-L271 HydrophobicContact CB-CD1 3.69Å; T246-L271 HydrophobicContact CG2-CD1 3.83Å; L271-T273 VanDerWaalsContact C-N 3.28Å; L271-M281 HydrophobicContact CD1-SD 3.89Å; L271-M281 HydrophobicContact CD2-CB 4.06Å; L271-M281 HydrophobicContact CD2-CG 4.39Å; L271-M281 HydrophobicContact CD2-SD 4.13Å; L271-M281 HydrophobicContact CG-CB 4.18Å; L271-M281 HydrophobicContact CG-CG 4.02Å; L271-M281 HydrophobicContact CG-SD 3.77Å; L271-Y284 HydrophobicContact CD2-CD2 3.68Å; L271-Y284 HydrophobicContact CD2-CG 3.77Å; L271-F288 HydrophobicContact CD1-CE1 4.11Å; L271-F288 HydrophobicContact CD2-CD1 4.25Å; L271-F288 HydrophobicContact CD2-CE1 4.22Å; L271-L292 HydrophobicContact CB-CD1 3.91Å; L271-L292 HydrophobicContact CD1-CD1 4.38Å
272	E	94.6	Very high	88.7	Confident	44 Å²	44	66.7 Å²	66.7	21%	0.206	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	177.9	-67.6	67.2	-146.5	0	0	113.2	T270 G274 V275 K278 R289	T270-E272 PolarHBondContact O-N 2.93Å; T270-E272 PolarHBondContact OG1-N 2.94Å; T270-E272 PolarHBondContact OG1-OE2 2.85Å; E272-G274 PolarHBondContact O-N 3.39Å; E272-V275 PolarHBondContact O-N 2.98Å; E272-K278 HydrophobicContact CB-CG 4.5Å; E272-K278 HydrophobicContact CG-CD 4.4Å; E272-K278 HydrophobicContact CG-CG 4.2Å; E272-R289 VanDerWaalsContact CD-NH1 3.28Å; E272-R289 IonicContact OE1-CZ 3.11Å; E272-R289 IonicContact OE1-NH1 2.62Å; E272-R289 PolarHBondContact OE1-NH1 2.78Å; E272-R289 IonicContact OE1-NH2 2.71Å; E272-R289 PolarHBondContact OE1-NH2 3.42Å; E272-R289 IonicContact OE2-NH1 3.18Å; E272-R289 PolarHBondContact OE2-NH1 3.31Å
273	T	92.3	Very high	89.3	Confident	36 Å²	36	69.5 Å²	69.5	22%	0.221	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	120.6	-178	-55.9	0	0	0	0	109.1	P250 Y251 P269 T270 L271	P250-T273 WeakPolarHBondContact CA-O 3.48Å; P250-T273 HydrophobicContact CB-CG2 3.73Å; Y251-T273 HydrophobicContact CD1-CG2 4.14Å; Y251-T273 HydrophobicContact CE1-CG2 3.43Å; Y251-T273 VanDerWaalsContact CE1-CG2 3.43Å; P269-T273 HydrophobicContact CB-CG2 3.96Å; T270-T273 PolarHBondContact N-OG1 3.02Å; T270-T273 VanDerWaalsContact O-CB 3.25Å; T270-T273 WeakPolarHBondContact O-CB 3.21Å; T270-T273 PolarHBondContact O-N 2.72Å; T270-T273 PolarHBondContact O-OG1 3.29Å; T270-T273 PolarHBondContact OG1-OG1 3.12Å; L271-T273 VanDerWaalsContact C-N 3.28Å
274	G	84.9	Confident	89.8	Confident	32 Å²	32	69.5 Å²	69.5	33%	0.33	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-0.1	-177.6	0	0	0	0	0	115.1	P250 E272	P250-G274 WeakPolarHBondContact O-CA 3.24Å; E272-G274 PolarHBondContact O-N 3.39Å
275	V	88.8	Confident	90.6	Very high	27 Å²	27	68 Å²	68	16%	0.164	35%	0.35	C	S	.	.			trans	-101.8	131.9	176.2	-174.1	0	0	0	0	109.7	T246 E272 D277 M280 M281	T246-V275 HydrophobicContact CG2-CG2 3.65Å; E272-V275 PolarHBondContact O-N 2.98Å; V275-D277 VanDerWaalsContact CG1-O 3.23Å; V275-D277 WeakPolarHBondContact CG1-O 3.3Å; V275-M280 HydrophobicContact CG1-SD 4.06Å; V275-M281 HydrophobicContact CG1-CE 4.33Å; V275-M281 HydrophobicContact CG1-CG 4.35Å; V275-M281 HydrophobicContact CG2-CE 4.42Å; V275-M281 HydrophobicContact CG2-CG 4.29Å; V275-M281 HydrophobicContact CG2-SD 4.48Å
276	E	83.3	Confident	91.2	Very high	169 Å²	169	70.4 Å²	70.4	79%	0.79	36%	0.359	S	S	*	.	S	Bend	trans	-77.9	-47.3	179.7	-69.6	174.5	-165.7	0	0	111.7	K253	K253-E276 IonicContact NZ-OE1 3.11Å; K253-E276 PolarHBondContact NZ-OE1 2.7Å
277	D	86.7	Confident	91.7	Very high	85 Å²	85	68.9 Å²	68.9	46%	0.455	35%	0.354	S	S	.	.			trans	-100.1	107.8	177.2	-179.2	5.4	0	0	0	111.3	V275 E279 M280	V275-D277 VanDerWaalsContact CG1-O 3.23Å; V275-D277 WeakPolarHBondContact CG1-O 3.3Å; D277-E279 PolarHBondContact O-N 2.9Å; D277-E279 WeakPolarHBondContact OD1-CB 3.46Å; D277-E279 PolarHBondContact OD1-N 2.84Å; D277-M280 HydrophobicContact CB-CG 3.84Å; D277-M280 HydrophobicContact CB-SD 4.03Å; D277-M280 VanDerWaalsContact O-CB 3.32Å; D277-M280 WeakPolarHBondContact O-CB 3.3Å; D277-M280 VanDerWaalsContact O-CG 3.22Å; D277-M280 WeakPolarHBondContact O-CG 3.49Å; D277-M280 PolarHBondContact O-N 2.88Å
278	K	88	Confident	91.9	Very high	146 Å²	146	62.1 Å²	62.1	64%	0.635	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.4	-179.8	-65.3	-176.1	-179.4	179.2	0	113.1	E272 M280 M281	E272-K278 HydrophobicContact CB-CG 4.5Å; E272-K278 HydrophobicContact CG-CD 4.4Å; E272-K278 HydrophobicContact CG-CG 4.2Å; K278-M280 PolarHBondContact O-N 3.19Å; K278-M281 PolarHBondContact O-N 2.79Å; K278-M281 VanDerWaalsContact O-N 3.12Å
279	E	85.8	Confident	92.1	Very high	114 Å²	114	64 Å²	64	53%	0.533	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-65.1	-27.3	178	-71.6	-68.4	121.7	0	0	111.4	D277 M281 K282	D277-E279 PolarHBondContact O-N 2.9Å; D277-E279 WeakPolarHBondContact OD1-CB 3.46Å; D277-E279 PolarHBondContact OD1-N 2.84Å; E279-M281 PolarHBondContact O-N 2.85Å; E279-K282 VanDerWaalsContact O-CB 3.25Å; E279-K282 WeakPolarHBondContact O-CB 3.35Å; E279-K282 PolarHBondContact O-N 3.17Å; E279-K282 VanDerWaalsContact O-N 3.09Å; E279-K282 IonicContact OE1-NZ 3.68Å; E279-K282 VanDerWaalsContact OE2-CD 3.31Å; E279-K282 WeakPolarHBondContact OE2-CD 3.47Å; E279-K282 IonicContact OE2-NZ 2.79Å; E279-K282 PolarHBondContact OE2-NZ 3.08Å
280	M	85.8	Confident	92.2	Very high	35 Å²	35	69.5 Å²	69.5	17%	0.172	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.5	174.2	-57	-179.6	59.7	0	0	112.4	H137 K138 N139 V275 D277 K278	H137-M280 WeakPolarHBondContact O-CE 3.39Å; K138-M280 VanDerWaalsContact O-CG 3.25Å; K138-M280 WeakPolarHBondContact O-CG 3.48Å; N139-M280 CarbonylContact C-O 3.57Å; V275-M280 HydrophobicContact CG1-SD 4.06Å; D277-M280 HydrophobicContact CB-CG 3.84Å; D277-M280 HydrophobicContact CB-SD 4.03Å; D277-M280 VanDerWaalsContact O-CB 3.32Å; D277-M280 WeakPolarHBondContact O-CB 3.3Å; D277-M280 VanDerWaalsContact O-CG 3.22Å; D277-M280 WeakPolarHBondContact O-CG 3.49Å; D277-M280 PolarHBondContact O-N 2.88Å; K278-M280 PolarHBondContact O-N 3.19Å
281	M	91.7	Very high	92.3	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-95.6	1	-174.2	-60.7	-57.9	117.6	0	0	113.8	T246 L271 V275 K278 E279 K283 Y284 R289	T246-M281 HydrophobicContact CG2-CE 4.18Å; T246-M281 HydrophobicContact CG2-SD 3.76Å; L271-M281 HydrophobicContact CD1-SD 3.89Å; L271-M281 HydrophobicContact CD2-CB 4.06Å; L271-M281 HydrophobicContact CD2-CG 4.39Å; L271-M281 HydrophobicContact CD2-SD 4.13Å; L271-M281 HydrophobicContact CG-CB 4.18Å; L271-M281 HydrophobicContact CG-CG 4.02Å; L271-M281 HydrophobicContact CG-SD 3.77Å; V275-M281 HydrophobicContact CG1-CE 4.33Å; V275-M281 HydrophobicContact CG1-CG 4.35Å; V275-M281 HydrophobicContact CG2-CE 4.42Å; V275-M281 HydrophobicContact CG2-CG 4.29Å; V275-M281 HydrophobicContact CG2-SD 4.48Å; K278-M281 PolarHBondContact O-N 2.79Å; K278-M281 VanDerWaalsContact O-N 3.12Å; E279-M281 PolarHBondContact O-N 2.85Å; M281-K283 VanDerWaalsContact C-N 3.28Å; M281-K283 PolarHBondContact O-N 2.81Å; M281-Y284 HydrophobicContact CB-CD2 4.37Å; M281-Y284 HydrophobicContact CE-CE2 4.24Å; M281-Y284 PolarHBondContact O-N 2.76Å; M281-Y284 HydrophobicContact SD-CD2 3.91Å; M281-Y284 HydrophobicContact SD-CE2 3.63Å; M281-R289 PolarHBondContact O-NH2 3.48Å
282	K	88.9	Confident	92.4	Very high	147 Å²	147	66.4 Å²	66.4	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.7	-175.7	-165.8	176.8	-164.9	164.8	0	113.5	E279 Y284	E279-K282 VanDerWaalsContact O-CB 3.25Å; E279-K282 WeakPolarHBondContact O-CB 3.35Å; E279-K282 PolarHBondContact O-N 3.17Å; E279-K282 VanDerWaalsContact O-N 3.09Å; E279-K282 IonicContact OE1-NZ 3.68Å; E279-K282 VanDerWaalsContact OE2-CD 3.31Å; E279-K282 WeakPolarHBondContact OE2-CD 3.47Å; E279-K282 IonicContact OE2-NZ 2.79Å; E279-K282 PolarHBondContact OE2-NZ 3.08Å; K282-Y284 PolarHBondContact O-N 3.14Å
283	K	91.3	Very high	92.6	Very high	91 Å²	91	66.4 Å²	66.4	40%	0.396	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.2	177.4	74.9	165.8	-176.2	-163.2	0	113.4	N139 G140 L142 M281	N139-K283 WeakPolarHBondContact O-CD 3.37Å; N139-K283 WeakPolarHBondContact O-CE 3.37Å; N139-K283 PolarHBondContact O-NZ 2.86Å; G140-K283 PolarHBondContact O-NZ 3.39Å; L142-K283 WeakPolarHBondContact O-CE 3.5Å; L142-K283 PolarHBondContact O-NZ 3.3Å; M281-K283 VanDerWaalsContact C-N 3.28Å; M281-K283 PolarHBondContact O-N 2.81Å
284	Y	96.3	Very high	92.9	Very high	4 Å²	4	67 Å²	67	2%	0.016	33%	0.33	C	S	.	.	S	Bend	trans	-85.5	119.5	-175.8	-60.2	-79.1	0	0	0	111.3	G140 L142 E144 I147 A245 L271 M281 K282 F288 R289	G140-Y284 WeakPolarHBondContact CA-OH 3.36Å; L142-Y284 WeakPolarHBondContact O-CE1 3.28Å; L142-Y284 PolarHBondContact O-OH 3.11Å; E144-Y284 HydrophobicContact CG-CD1 3.72Å; E144-Y284 HydrophobicContact CG-CE1 4.34Å; E144-Y284 WeakPolarHBondContact OE1-CA 3.46Å; I147-Y284 HydrophobicContact CD1-CE1 3.82Å; A245-Y284 VanDerWaalsContact CA-OH 3.25Å; A245-Y284 WeakPolarHBondContact CA-OH 3.39Å; A245-Y284 HydrophobicContact CB-CD1 4.43Å; A245-Y284 HydrophobicContact CB-CE1 3.76Å; A245-Y284 HydrophobicContact CB-CE2 4.07Å; A245-Y284 PolarHBondContact O-OH 2.81Å; L271-Y284 HydrophobicContact CD2-CD2 3.68Å; L271-Y284 HydrophobicContact CD2-CG 3.77Å; M281-Y284 HydrophobicContact CB-CD2 4.37Å; M281-Y284 HydrophobicContact CE-CE2 4.24Å; M281-Y284 PolarHBondContact O-N 2.76Å; M281-Y284 HydrophobicContact SD-CD2 3.91Å; M281-Y284 HydrophobicContact SD-CE2 3.63Å; K282-Y284 PolarHBondContact O-N 3.14Å; Y284-F288 AromaticContact CD1-CD1 3.93Å; Y284-F288 HydrophobicContact CD1-CD1 3.93Å; Y284-F288 HydrophobicContact CD1-CE1 4.01Å; Y284-F288 HydrophobicContact CG-CD1 4.19Å; Y284-F288 HydrophobicContact CG-CE1 4.41Å; Y284-R289 PolarHBondContact O-NE 2.91Å
285	G	96.4	Very high	93.5	Very high	26 Å²	26	65.5 Å²	65.5	27%	0.268	32%	0.315	S	S	.	.			trans	-77	171.8	-170.5	0	0	0	0	0	114.4	E144 S287 F288 R289	E144-G285 PolarHBondContact OE1-N 3.08Å; G285-S287 VanDerWaalsContact C-N 3.26Å; G285-S287 PolarHBondContact O-N 2.99Å; G285-F288 PolarHBondContact O-N 3.3Å; G285-R289 WeakPolarHBondContact O-CG 3.2Å; G285-R289 PolarHBondContact O-N 3.39Å
286	K	97.1	Very high	93.9	Very high	190 Å²	190	64.4 Å²	64.4	83%	0.826	31%	0.308	S	S	*	.	H	α-helix	trans	-60.7	-31.9	-179.6	-64.7	-176.8	-179.5	-180	0	113.3	R289 K290	K286-R289 PolarHBondContact O-N 3.39Å; K286-K290 WeakPolarHBondContact O-CB 3.43Å; K286-K290 PolarHBondContact O-N 2.74Å
287	S	98.1	Very high	94.5	Very high	41 Å²	41	59.5 Å²	59.5	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-38.8	179.1	54.1	0	0	0	0	112.5	G285 K290 L291	G285-S287 VanDerWaalsContact C-N 3.26Å; G285-S287 PolarHBondContact O-N 2.99Å; S287-K290 PolarHBondContact O-N 3.33Å; S287-L291 PolarHBondContact O-N 2.87Å
288	F	98.4	Very high	94.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-45.5	175	-175.6	-123.3	0	0	0	111.3	E144 I147 A241 A245 L271 Y284 G285 K290 L291 L292 F314	E144-F288 VanDerWaalsContact OE1-CB 3.31Å; E144-F288 WeakPolarHBondContact OE1-CB 3.44Å; I147-F288 HydrophobicContact CD1-CZ 4.42Å; I147-F288 HydrophobicContact CG2-CE2 3.87Å; I147-F288 HydrophobicContact CG2-CZ 4.27Å; A241-F288 HydrophobicContact CB-CE2 4.11Å; A241-F288 HydrophobicContact CB-CZ 4.18Å; A241-F288 WeakPolarHBondContact O-CZ 3.41Å; A245-F288 HydrophobicContact CB-CE1 3.96Å; A245-F288 HydrophobicContact CB-CZ 4.18Å; L271-F288 HydrophobicContact CD1-CE1 4.11Å; L271-F288 HydrophobicContact CD2-CD1 4.25Å; L271-F288 HydrophobicContact CD2-CE1 4.22Å; Y284-F288 AromaticContact CD1-CD1 3.93Å; Y284-F288 HydrophobicContact CD1-CD1 3.93Å; Y284-F288 HydrophobicContact CD1-CE1 4.01Å; Y284-F288 HydrophobicContact CG-CD1 4.19Å; Y284-F288 HydrophobicContact CG-CE1 4.41Å; G285-F288 PolarHBondContact O-N 3.3Å; F288-K290 PolarHBondContact O-N 2.91Å; F288-L291 HydrophobicContact CD2-CD2 4.16Å; F288-L291 HydrophobicContact CE2-CD2 4.32Å; F288-L291 WeakPolarHBondContact O-CA 3.43Å; F288-L291 VanDerWaalsContact O-CB 3.24Å; F288-L291 WeakPolarHBondContact O-CB 3.43Å; F288-L291 PolarHBondContact O-N 3.29Å; F288-L291 VanDerWaalsContact O-N 3.07Å; F288-L292 HydrophobicContact CD1-CD1 4.29Å; F288-L292 HydrophobicContact CE1-CD1 4.02Å; F288-L292 HydrophobicContact CE1-CG 4.49Å; F288-L292 HydrophobicContact CE2-CD2 4.41Å; F288-L292 HydrophobicContact CZ-CD1 4.39Å; F288-L292 HydrophobicContact CZ-CD2 4.25Å; F288-L292 HydrophobicContact CZ-CG 4.48Å; F288-L292 WeakPolarHBondContact O-CG 3.1Å; F288-L292 PolarHBondContact O-N 3.24Å; F288-F314 HydrophobicContact CB-CD2 3.67Å; F288-F314 HydrophobicContact CB-CE2 3.58Å; F288-F314 HydrophobicContact CB-CZ 4.45Å; F288-F314 HydrophobicContact CD2-CD1 4.32Å; F288-F314 AromaticContact CD2-CD2 3.86Å; F288-F314 HydrophobicContact CD2-CD2 3.86Å; F288-F314 AromaticContact CD2-CE1 3.83Å; F288-F314 HydrophobicContact CD2-CE1 3.83Å; F288-F314 AromaticContact CD2-CE2 3.33Å; F288-F314 HydrophobicContact CD2-CE2 3.33Å; F288-F314 HydrophobicContact CD2-CG 4.33Å; F288-F314 AromaticContact CD2-CZ 3.31Å; F288-F314 HydrophobicContact CD2-CZ 3.31Å; F288-F314 HydrophobicContact CE2-CE1 4.19Å; F288-F314 HydrophobicContact CE2-CE2 4.25Å; F288-F314 AromaticContact CE2-CZ 3.8Å; F288-F314 HydrophobicContact CE2-CZ 3.8Å; F288-F314 HydrophobicContact CG-CD2 4.22Å; F288-F314 AromaticContact CG-CE2 3.75Å; F288-F314 HydrophobicContact CG-CE2 3.75Å; F288-F314 HydrophobicContact CG-CZ 4.15Å
289	R	98	Very high	94.9	Very high	76 Å²	76	54.4 Å²	54.4	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-36.9	176	-64.8	164.8	177	-75.8	-0.9	112.1	E272 M281 Y284 G285 K286 L292 S293	E272-R289 VanDerWaalsContact CD-NH1 3.28Å; E272-R289 IonicContact OE1-CZ 3.11Å; E272-R289 IonicContact OE1-NH1 2.62Å; E272-R289 PolarHBondContact OE1-NH1 2.78Å; E272-R289 IonicContact OE1-NH2 2.71Å; E272-R289 PolarHBondContact OE1-NH2 3.42Å; E272-R289 IonicContact OE2-NH1 3.18Å; E272-R289 PolarHBondContact OE2-NH1 3.31Å; M281-R289 PolarHBondContact O-NH2 3.48Å; Y284-R289 PolarHBondContact O-NE 2.91Å; G285-R289 WeakPolarHBondContact O-CG 3.2Å; G285-R289 PolarHBondContact O-N 3.39Å; K286-R289 PolarHBondContact O-N 3.39Å; R289-L292 PolarHBondContact O-N 3.5Å; R289-S293 PolarHBondContact O-N 3.18Å
290	K	97.8	Very high	95.2	Very high	122 Å²	122	50.4 Å²	50.4	53%	0.53	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-43.9	173.8	-177.4	60.9	-174.8	167.2	0	111.5	K286 S287 F288 L292 S293 L294	K286-K290 WeakPolarHBondContact O-CB 3.43Å; K286-K290 PolarHBondContact O-N 2.74Å; S287-K290 PolarHBondContact O-N 3.33Å; F288-K290 PolarHBondContact O-N 2.91Å; K290-L292 VanDerWaalsContact C-N 3.35Å; K290-L292 PolarHBondContact O-N 3.05Å; K290-S293 PolarHBondContact O-N 2.75Å; K290-S293 PolarHBondContact O-OG 3.23Å; K290-L294 HydrophobicContact CG-CD1 4.49Å; K290-L294 WeakPolarHBondContact O-CG 3.48Å; K290-L294 PolarHBondContact O-N 2.88Å; K290-L294 VanDerWaalsContact O-N 3.07Å
291	L	98.4	Very high	95.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-52.7	-52.8	172.9	-179.1	83.3	0	0	0	110.6	F237 S287 F288 S293 L294 C295 L309 C312 F314 F315	F237-L291 HydrophobicContact CE1-CD2 4.39Å; S287-L291 PolarHBondContact O-N 2.87Å; F288-L291 HydrophobicContact CD2-CD2 4.16Å; F288-L291 HydrophobicContact CE2-CD2 4.32Å; F288-L291 WeakPolarHBondContact O-CA 3.43Å; F288-L291 VanDerWaalsContact O-CB 3.24Å; F288-L291 WeakPolarHBondContact O-CB 3.43Å; F288-L291 PolarHBondContact O-N 3.29Å; F288-L291 VanDerWaalsContact O-N 3.07Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-S293 PolarHBondContact O-N 2.91Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 2.9Å; L291-L294 VanDerWaalsContact O-N 3.09Å; L291-C295 PolarHBondContact O-N 2.91Å; L291-C295 PolarHBondContact O-SG 3.38Å; L291-C295 VanDerWaalsContact O-SG 3.39Å; L291-L309 HydrophobicContact CD1-CD1 3.42Å; L291-L309 VanDerWaalsContact CD1-CD1 3.42Å; L291-L309 HydrophobicContact CD1-CD2 4.03Å; L291-L309 HydrophobicContact CD1-CG 3.62Å; L291-L309 HydrophobicContact CG-CD1 4.5Å; L291-C312 HydrophobicContact CD1-CB 4.25Å; L291-F314 HydrophobicContact CD2-CD1 3.71Å; L291-F314 HydrophobicContact CD2-CE1 4.07Å; L291-F314 HydrophobicContact CD2-CG 4.31Å; L291-F315 HydrophobicContact CD1-CE2 3.63Å; L291-F315 HydrophobicContact CD1-CZ 3.94Å; L291-F315 HydrophobicContact CD2-CZ 4.2Å
292	L	98.4	Very high	95.8	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-46.1	178.3	-61.9	179.5	0	0	0	111.9	G238 A241 I242 L271 F288 R289 K290 L294 C295 L296	G238-L292 WeakPolarHBondContact O-CD2 3.39Å; A241-L292 HydrophobicContact CB-CD2 3.54Å; I242-L292 HydrophobicContact CG1-CD1 3.89Å; I242-L292 HydrophobicContact CG1-CD2 3.92Å; L271-L292 HydrophobicContact CB-CD1 3.91Å; L271-L292 HydrophobicContact CD1-CD1 4.38Å; F288-L292 HydrophobicContact CD1-CD1 4.29Å; F288-L292 HydrophobicContact CE1-CD1 4.02Å; F288-L292 HydrophobicContact CE1-CG 4.49Å; F288-L292 HydrophobicContact CE2-CD2 4.41Å; F288-L292 HydrophobicContact CZ-CD1 4.39Å; F288-L292 HydrophobicContact CZ-CD2 4.25Å; F288-L292 HydrophobicContact CZ-CG 4.48Å; F288-L292 WeakPolarHBondContact O-CG 3.1Å; F288-L292 PolarHBondContact O-N 3.24Å; R289-L292 PolarHBondContact O-N 3.5Å; K290-L292 VanDerWaalsContact C-N 3.35Å; K290-L292 PolarHBondContact O-N 3.05Å; L292-L294 VanDerWaalsContact C-N 3.26Å; L292-L294 PolarHBondContact O-N 3.32Å; L292-C295 PolarHBondContact O-N 3.36Å; L292-L296 HydrophobicContact CB-CD1 4.46Å; L292-L296 WeakPolarHBondContact O-CB 3.35Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.17Å
293	S	98	Very high	96.2	Very high	45 Å²	45	52.4 Å²	52.4	32%	0.315	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-26.8	179.6	74.4	0	0	0	0	114.1	R289 K290 L291 Q297	R289-S293 PolarHBondContact O-N 3.18Å; K290-S293 PolarHBondContact O-N 2.75Å; K290-S293 PolarHBondContact O-OG 3.23Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-S293 PolarHBondContact O-N 2.91Å; S293-Q297 PolarHBondContact O-NE2 2.99Å
294	L	98.2	Very high	96.5	Very high	48 Å²	48	49 Å²	49	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-75	-39.5	176.2	-70.1	171.3	0	0	0	110.9	K290 L291 L292 P304 L309	K290-L294 HydrophobicContact CG-CD1 4.49Å; K290-L294 WeakPolarHBondContact O-CG 3.48Å; K290-L294 PolarHBondContact O-N 2.88Å; K290-L294 VanDerWaalsContact O-N 3.07Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 2.9Å; L291-L294 VanDerWaalsContact O-N 3.09Å; L292-L294 VanDerWaalsContact C-N 3.26Å; L292-L294 PolarHBondContact O-N 3.32Å; L294-P304 HydrophobicContact CB-CG 4.13Å; L294-P304 WeakPolarHBondContact O-CD 3.49Å; L294-L309 HydrophobicContact CB-CD1 4.5Å; L294-L309 HydrophobicContact CD1-CD1 4.43Å
295	C	98	Very high	96.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-71.9	-43.7	178.4	-61.3	0	0	0	0	112.4	M234 L291 L292 Q297 R303 L309	M234-C295 WeakPolarHBondContact O-CB 3.32Å; L291-C295 PolarHBondContact O-N 2.91Å; L291-C295 PolarHBondContact O-SG 3.38Å; L291-C295 VanDerWaalsContact O-SG 3.39Å; L292-C295 PolarHBondContact O-N 3.36Å; C295-Q297 VanDerWaalsContact C-N 3.31Å; C295-Q297 PolarHBondContact O-N 3.22Å; C295-Q297 VanDerWaalsContact O-N 3.08Å; C295-R303 VanDerWaalsContact O-CD 3.31Å; C295-R303 WeakPolarHBondContact O-CD 3.47Å; C295-R303 WeakPolarHBondContact O-CG 3.19Å; C295-L309 WeakPolarHBondContact SG-CD2 3.33Å
296	L	97.9	Very high	96.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	25%	0.249	C	C	.	.			trans	-91.1	66.4	-171.2	-58.3	173.7	0	0	0	110.6	W235 I239 I242 P268 P269 L292	W235-L296 HydrophobicContact CD2-CD2 3.83Å; W235-L296 HydrophobicContact CE3-CB 4.48Å; W235-L296 HydrophobicContact CE3-CD2 4.08Å; W235-L296 HydrophobicContact CG-CD2 4.22Å; W235-L296 HydrophobicContact CZ2-CD2 4.31Å; W235-L296 HydrophobicContact CZ3-CB 4.29Å; W235-L296 HydrophobicContact CZ3-CD2 4.43Å; I239-L296 HydrophobicContact CD1-CD2 3.69Å; I239-L296 HydrophobicContact CG1-CD2 4.02Å; I242-L296 HydrophobicContact CD1-CD1 3.71Å; P268-L296 HydrophobicContact CB-CB 4.07Å; P268-L296 WeakPolarHBondContact CB-O 3.29Å; P268-L296 VanDerWaalsContact CG-O 3.28Å; P268-L296 WeakPolarHBondContact CG-O 3.46Å; P269-L296 HydrophobicContact CG-CD1 4.25Å; P269-L296 WeakPolarHBondContact O-CD1 3.48Å; L292-L296 HydrophobicContact CB-CD1 4.46Å; L292-L296 WeakPolarHBondContact O-CB 3.35Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.17Å
297	Q	96.1	Very high	96.7	Very high	66 Å²	66	42 Å²	42	31%	0.308	22%	0.224	S	C	.	.			trans	-111.9	133.4	172.6	-66.9	-67.3	-40.1	0	0	109.2	S293 C295 D299 K302 R303	S293-Q297 PolarHBondContact O-NE2 2.99Å; C295-Q297 VanDerWaalsContact C-N 3.31Å; C295-Q297 PolarHBondContact O-N 3.22Å; C295-Q297 VanDerWaalsContact O-N 3.08Å; Q297-D299 VanDerWaalsContact C-N 3.31Å; Q297-D299 PolarHBondContact O-N 3.18Å; Q297-K302 HydrophobicContact CB-CB 4.16Å; Q297-K302 HydrophobicContact CG-CB 4.22Å; Q297-R303 HydrophobicContact CB-CG 4.04Å; Q297-R303 VanDerWaalsContact O-CZ 3.26Å; Q297-R303 PolarHBondContact O-NE 3.09Å; Q297-R303 PolarHBondContact O-NH2 3.11Å
298	K	90.6	Very high	96.7	Very high	60 Å²	60	45 Å²	45	26%	0.261	23%	0.234	S	C	.	.	S	Bend	trans	-60	-45.9	177.7	-60	-64.4	-169.3	174.5	0	111.2	P219 W235 T263 N266 P268 P300 R303	P219-K298 HydrophobicContact CB-CD 4.26Å; P219-K298 HydrophobicContact CG-CD 3.62Å; W235-K298 HydrophobicContact CH2-CD 4.32Å; W235-K298 HydrophobicContact CZ3-CD 4.42Å; T263-K298 PolarHBondContact O-NZ 3.25Å; N266-K298 WeakPolarHBondContact O-CE 3.27Å; N266-K298 PolarHBondContact O-NZ 3.43Å; P268-K298 HydrophobicContact CG-CD 4.28Å; P268-K298 HydrophobicContact CG-CG 4.13Å; K298-P300 VanDerWaalsContact O-CD 3.28Å; K298-P300 WeakPolarHBondContact O-CD 3.45Å; K298-R303 PolarHBondContact O-NH2 3.21Å; K298-R303 VanDerWaalsContact O-NH2 3.14Å
299	D	91.9	Very high	96.7	Very high	63 Å²	63	45 Å²	45	34%	0.337	23%	0.234	S	C	.	.	S	Bend	trans	-72	114.3	175.7	-179.2	-8.6	0	0	0	110.6	Q297 S301 K302	Q297-D299 VanDerWaalsContact C-N 3.31Å; Q297-D299 PolarHBondContact O-N 3.18Å; D299-S301 PolarHBondContact O-N 3.14Å; D299-S301 WeakPolarHBondContact OD1-CB 3.26Å; D299-S301 PolarHBondContact OD1-N 3.38Å; D299-S301 PolarHBondContact OD1-OG 3.1Å; D299-S301 PolarHBondContact OD2-OG 2.85Å; D299-K302 HydrophobicContact CB-CD 4.01Å; D299-K302 HydrophobicContact CB-CG 4.12Å; D299-K302 PolarHBondContact O-N 2.92Å; D299-K302 VanDerWaalsContact OD2-CE 3.27Å; D299-K302 WeakPolarHBondContact OD2-CE 3.43Å; D299-K302 IonicContact OD2-NZ 3.96Å
300	P	91.8	Very high	96.7	Very high	31 Å²	31	43 Å²	43	20%	0.201	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.4	-27.4	-178.2	-21.4	34.3	0	0	0	113.4	E220 K231 K298 K302 R303	E220-P300 HydrophobicContact CB-CG 4.15Å; E220-P300 VanDerWaalsContact CD-CG 3.45Å; E220-P300 HydrophobicContact CG-CG 3.74Å; K231-P300 HydrophobicContact CB-CB 3.89Å; K231-P300 HydrophobicContact CG-CB 4.47Å; K231-P300 WeakPolarHBondContact CG-O 3.13Å; K231-P300 PolarHBondContact NZ-O 3.24Å; K298-P300 VanDerWaalsContact O-CD 3.28Å; K298-P300 WeakPolarHBondContact O-CD 3.45Å; P300-K302 PolarHBondContact O-N 2.93Å; P300-R303 WeakPolarHBondContact O-CB 3.39Å; P300-R303 PolarHBondContact O-N 3.44Å
301	S	92.9	Very high	96.6	Very high	87 Å²	87	45.3 Å²	45.3	61%	0.608	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-66.4	-28.5	-179.4	72.3	0	0	0	0	112.4	D299 R303	D299-S301 PolarHBondContact O-N 3.14Å; D299-S301 WeakPolarHBondContact OD1-CB 3.26Å; D299-S301 PolarHBondContact OD1-N 3.38Å; D299-S301 PolarHBondContact OD1-OG 3.1Å; D299-S301 PolarHBondContact OD2-OG 2.85Å; S301-R303 VanDerWaalsContact C-N 3.33Å
302	K	96.8	Very high	96.5	Very high	136 Å²	136	46.7 Å²	46.7	59%	0.591	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-79.8	-14.2	178.6	-64.5	-178.1	-175.1	168.4	0	113.5	Q297 D299 P300	Q297-K302 HydrophobicContact CB-CB 4.16Å; Q297-K302 HydrophobicContact CG-CB 4.22Å; D299-K302 HydrophobicContact CB-CD 4.01Å; D299-K302 HydrophobicContact CB-CG 4.12Å; D299-K302 PolarHBondContact O-N 2.92Å; D299-K302 VanDerWaalsContact OD2-CE 3.27Å; D299-K302 WeakPolarHBondContact OD2-CE 3.43Å; D299-K302 IonicContact OD2-NZ 3.96Å; P300-K302 PolarHBondContact O-N 2.93Å
303	R	97.6	Very high	96.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	28%	0.28	C	S	.	.	S	Bend	trans	-75.7	130.9	177.3	-58.8	-178.8	-159.4	145.8	10.2	109	E220 K231 M234 C295 Q297 K298 P300 S301	E220-R303 IonicContact OE1-CZ 3.53Å; E220-R303 IonicContact OE1-NH1 2.86Å; E220-R303 PolarHBondContact OE1-NH1 3.3Å; E220-R303 IonicContact OE1-NH2 2.78Å; E220-R303 PolarHBondContact OE1-NH2 2.89Å; E220-R303 IonicContact OE2-CZ 3.31Å; E220-R303 IonicContact OE2-NH1 2.98Å; E220-R303 PolarHBondContact OE2-NH1 3.27Å; E220-R303 IonicContact OE2-NH2 3.5Å; E220-R303 PolarHBondContact OE2-NH2 3.27Å; K231-R303 HydrophobicContact CD-CB 4.4Å; K231-R303 WeakPolarHBondContact CE-O 3.49Å; K231-R303 PolarHBondContact NZ-O 3.26Å; K231-R303 WeakPolarHBondContact O-CD 3.39Å; K231-R303 PolarHBondContact O-NH1 2.85Å; M234-R303 HydrophobicContact CB-CB 4.37Å; C295-R303 VanDerWaalsContact O-CD 3.31Å; C295-R303 WeakPolarHBondContact O-CD 3.47Å; C295-R303 WeakPolarHBondContact O-CG 3.19Å; Q297-R303 HydrophobicContact CB-CG 4.04Å; Q297-R303 VanDerWaalsContact O-CZ 3.26Å; Q297-R303 PolarHBondContact O-NE 3.09Å; Q297-R303 PolarHBondContact O-NH2 3.11Å; K298-R303 PolarHBondContact O-NH2 3.21Å; K298-R303 VanDerWaalsContact O-NH2 3.14Å; P300-R303 WeakPolarHBondContact O-CB 3.39Å; P300-R303 PolarHBondContact O-N 3.44Å; S301-R303 VanDerWaalsContact C-N 3.33Å
304	P	97.9	Very high	96.5	Very high	18 Å²	18	52 Å²	52	12%	0.117	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66.8	159.2	175.5	29.4	-34.4	0	0	0	110.9	L294 E308 L309	L294-P304 HydrophobicContact CB-CG 4.13Å; L294-P304 WeakPolarHBondContact O-CD 3.49Å; P304-E308 WeakPolarHBondContact CA-OE2 3.2Å; P304-E308 HydrophobicContact CB-CB 3.93Å; P304-E308 WeakPolarHBondContact CB-OE2 3.45Å; P304-L309 HydrophobicContact CG-CB 4.44Å; P304-L309 HydrophobicContact CG-CD1 3.74Å
305	T	98.3	Very high	96.5	Very high	36 Å²	36	50.5 Å²	50.5	22%	0.221	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-72.4	164.5	168.4	64.2	0	0	0	0	111.2	F230 A307 E308 L309	F230-T305 HydrophobicContact CE2-CG2 4.24Å; T305-A307 VanDerWaalsContact C-N 3.33Å; T305-A307 PolarHBondContact O-N 3.37Å; T305-E308 PolarHBondContact N-OE2 2.86Å; T305-E308 PolarHBondContact O-N 3.14Å; T305-E308 VanDerWaalsContact OG1-CD 3.24Å; T305-E308 VanDerWaalsContact OG1-CG 3.25Å; T305-E308 WeakPolarHBondContact OG1-CG 3.48Å; T305-E308 PolarHBondContact OG1-N 3.15Å; T305-E308 PolarHBondContact OG1-OE2 2.83Å; T305-L309 WeakPolarHBondContact O-CB 3.38Å; T305-L309 PolarHBondContact O-N 2.78Å
306	A	98.1	Very high	96.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-44.5	175.2	0	0	0	0	0	112.2	L155 L158 D159 M234 E308 L309 L310	L155-A306 HydrophobicContact CD2-CB 3.97Å; L158-A306 HydrophobicContact CB-CB 4.18Å; D159-A306 HydrophobicContact CB-CB 3.79Å; M234-A306 HydrophobicContact CE-CB 4.34Å; M234-A306 HydrophobicContact SD-CB 4.18Å; A306-E308 VanDerWaalsContact C-N 3.34Å; A306-E308 PolarHBondContact O-N 3.33Å; A306-L309 PolarHBondContact O-N 3.46Å; A306-L310 WeakPolarHBondContact O-CG 3.29Å; A306-L310 PolarHBondContact O-N 3.23Å
307	A	97.8	Very high	96.5	Very high	38 Å²	38	61.4 Å²	61.4	31%	0.314	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-38.4	174	0	0	0	0	0	114.3	D159 T305	D159-A307 WeakPolarHBondContact OD1-CB 3.49Å; T305-A307 VanDerWaalsContact C-N 3.33Å; T305-A307 PolarHBondContact O-N 3.37Å
308	E	98.1	Very high	96.6	Very high	103 Å²	103	59.4 Å²	59.4	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-70.8	-41.4	175.6	-74	162.2	-173.2	0	0	111.3	P304 T305 A306 L310 K311	P304-E308 WeakPolarHBondContact CA-OE2 3.2Å; P304-E308 HydrophobicContact CB-CB 3.93Å; P304-E308 WeakPolarHBondContact CB-OE2 3.45Å; T305-E308 PolarHBondContact N-OE2 2.86Å; T305-E308 PolarHBondContact O-N 3.14Å; T305-E308 VanDerWaalsContact OG1-CD 3.24Å; T305-E308 VanDerWaalsContact OG1-CG 3.25Å; T305-E308 WeakPolarHBondContact OG1-CG 3.48Å; T305-E308 PolarHBondContact OG1-N 3.15Å; T305-E308 PolarHBondContact OG1-OE2 2.83Å; A306-E308 VanDerWaalsContact C-N 3.34Å; A306-E308 PolarHBondContact O-N 3.33Å; E308-L310 VanDerWaalsContact C-N 3.35Å; E308-L310 PolarHBondContact O-N 3.08Å; E308-K311 WeakPolarHBondContact O-CB 3.27Å; E308-K311 PolarHBondContact O-N 3.26Å
309	L	97.7	Very high	96.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-35.4	-176.9	-160.6	63	0	0	0	112	L155 M234 F237 L291 L294 C295 P304 T305 A306 K311 C312 F315	L155-L309 HydrophobicContact CD1-CB 4.06Å; L155-L309 HydrophobicContact CD1-CD2 4.08Å; L155-L309 HydrophobicContact CD1-CG 4.06Å; L155-L309 HydrophobicContact CD2-CB 4.38Å; L155-L309 HydrophobicContact CD2-CD2 3.92Å; M234-L309 HydrophobicContact CE-CB 4.31Å; M234-L309 HydrophobicContact CE-CD2 3.61Å; F237-L309 HydrophobicContact CD1-CD2 3.82Å; F237-L309 HydrophobicContact CE1-CD2 3.52Å; F237-L309 HydrophobicContact CZ-CD2 4.3Å; L291-L309 HydrophobicContact CD1-CD1 3.42Å; L291-L309 VanDerWaalsContact CD1-CD1 3.42Å; L291-L309 HydrophobicContact CD1-CD2 4.03Å; L291-L309 HydrophobicContact CD1-CG 3.62Å; L291-L309 HydrophobicContact CG-CD1 4.5Å; L294-L309 HydrophobicContact CB-CD1 4.5Å; L294-L309 HydrophobicContact CD1-CD1 4.43Å; C295-L309 WeakPolarHBondContact SG-CD2 3.33Å; P304-L309 HydrophobicContact CG-CB 4.44Å; P304-L309 HydrophobicContact CG-CD1 3.74Å; T305-L309 WeakPolarHBondContact O-CB 3.38Å; T305-L309 PolarHBondContact O-N 2.78Å; A306-L309 PolarHBondContact O-N 3.46Å; L309-K311 PolarHBondContact O-N 3.28Å; L309-K311 VanDerWaalsContact O-N 3.07Å; L309-C312 WeakPolarHBondContact O-CB 3.47Å; L309-C312 PolarHBondContact O-N 3.47Å; L309-C312 PolarHBondContact O-SG 3.45Å; L309-C312 VanDerWaalsContact O-SG 3.39Å; L309-F315 HydrophobicContact CG-CE2 4.31Å; L309-F315 VanDerWaalsContact O-CD2 3.29Å; L309-F315 WeakPolarHBondContact O-CD2 3.47Å; L309-F315 WeakPolarHBondContact O-CE2 3.44Å
310	L	97.4	Very high	97.1	Very high	33 Å²	33	63.5 Å²	63.5	17%	0.173	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.1	173.4	-81.2	167.2	0	0	0	113.4	K152 L155 E156 A306 E308 C312	K152-L310 HydrophobicContact CG-CD2 3.75Å; L155-L310 HydrophobicContact CB-CD1 4.28Å; L155-L310 HydrophobicContact CB-CD2 3.65Å; L155-L310 HydrophobicContact CB-CG 3.74Å; L155-L310 HydrophobicContact CD1-CD2 4.08Å; L155-L310 HydrophobicContact CD1-CG 4.1Å; E156-L310 HydrophobicContact CG-CD1 4.45Å; E156-L310 HydrophobicContact CG-CD2 4.4Å; A306-L310 WeakPolarHBondContact O-CG 3.29Å; A306-L310 PolarHBondContact O-N 3.23Å; E308-L310 VanDerWaalsContact C-N 3.35Å; E308-L310 PolarHBondContact O-N 3.08Å; L310-C312 VanDerWaalsContact C-N 3.27Å; L310-C312 PolarHBondContact O-N 2.96Å
311	K	97	Very high	97.2	Very high	171 Å²	171	66.9 Å²	66.9	74%	0.743	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.2	179.1	-57.6	172.5	-173.3	173	0	113.2	E308 L309	E308-K311 WeakPolarHBondContact O-CB 3.27Å; E308-K311 PolarHBondContact O-N 3.26Å; L309-K311 PolarHBondContact O-N 3.28Å; L309-K311 VanDerWaalsContact O-N 3.07Å
312	C	96.4	Very high	97.3	Very high	30 Å²	30	68.5 Å²	68.5	20%	0.203	33%	0.327	C	S	.	.	S	Bend	trans	-65.9	142.1	-178.9	-77	0	0	0	0	112.4	L291 L309 L310 F314 F315	L291-C312 HydrophobicContact CD1-CB 4.25Å; L309-C312 WeakPolarHBondContact O-CB 3.47Å; L309-C312 PolarHBondContact O-N 3.47Å; L309-C312 PolarHBondContact O-SG 3.45Å; L309-C312 VanDerWaalsContact O-SG 3.39Å; L310-C312 VanDerWaalsContact C-N 3.27Å; L310-C312 PolarHBondContact O-N 2.96Å; C312-F314 PolarHBondContact O-N 2.94Å; C312-F315 HydrophobicContact CB-CD2 4.08Å; C312-F315 HydrophobicContact CB-CE2 4.31Å; C312-F315 PolarHBondContact O-N 3.49Å
313	K	97	Very high	97.3	Very high	163 Å²	163	64 Å²	64	71%	0.709	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-54	-25.6	177.8	-67	-172.4	178.7	-176.3	0	114	F315 Q316	K313-F315 VanDerWaalsContact C-N 3.29Å; K313-F315 PolarHBondContact O-N 3.05Å; K313-Q316 WeakPolarHBondContact O-CB 3.47Å; K313-Q316 PolarHBondContact O-N 3.05Å
314	F	98.5	Very high	97.1	Very high	1 Å²	1	64 Å²	64	0%	0.004	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59	-39.8	176.5	179.2	-104.5	0	0	0	112.4	E144 I147 A148 F288 L291 C312 Q316 K317	E144-F314 HydrophobicContact CB-CE2 3.94Å; E144-F314 HydrophobicContact CB-CZ 4.42Å; E144-F314 HydrophobicContact CG-CE2 4.08Å; I147-F314 HydrophobicContact CB-CZ 4.24Å; I147-F314 HydrophobicContact CG2-CE1 4.2Å; I147-F314 HydrophobicContact CG2-CZ 3.93Å; A148-F314 HydrophobicContact CB-CD1 4.1Å; A148-F314 HydrophobicContact CB-CE1 3.62Å; A148-F314 HydrophobicContact CB-CZ 3.88Å; F288-F314 HydrophobicContact CB-CD2 3.67Å; F288-F314 HydrophobicContact CB-CE2 3.58Å; F288-F314 HydrophobicContact CB-CZ 4.45Å; F288-F314 HydrophobicContact CD2-CD1 4.32Å; F288-F314 AromaticContact CD2-CD2 3.86Å; F288-F314 HydrophobicContact CD2-CD2 3.86Å; F288-F314 AromaticContact CD2-CE1 3.83Å; F288-F314 HydrophobicContact CD2-CE1 3.83Å; F288-F314 AromaticContact CD2-CE2 3.33Å; F288-F314 HydrophobicContact CD2-CE2 3.33Å; F288-F314 HydrophobicContact CD2-CG 4.33Å; F288-F314 AromaticContact CD2-CZ 3.31Å; F288-F314 HydrophobicContact CD2-CZ 3.31Å; F288-F314 HydrophobicContact CE2-CE1 4.19Å; F288-F314 HydrophobicContact CE2-CE2 4.25Å; F288-F314 AromaticContact CE2-CZ 3.8Å; F288-F314 HydrophobicContact CE2-CZ 3.8Å; F288-F314 HydrophobicContact CG-CD2 4.22Å; F288-F314 AromaticContact CG-CE2 3.75Å; F288-F314 HydrophobicContact CG-CE2 3.75Å; F288-F314 HydrophobicContact CG-CZ 4.15Å; L291-F314 HydrophobicContact CD2-CD1 3.71Å; L291-F314 HydrophobicContact CD2-CE1 4.07Å; L291-F314 HydrophobicContact CD2-CG 4.31Å; C312-F314 PolarHBondContact O-N 2.94Å; F314-Q316 PolarHBondContact O-N 2.9Å; F314-K317 HydrophobicContact CD2-CD 4.47Å; F314-K317 WeakPolarHBondContact O-CB 3.08Å; F314-K317 WeakPolarHBondContact O-CG 3.4Å; F314-K317 PolarHBondContact O-N 2.8Å; F314-K317 VanDerWaalsContact O-N 3.12Å
315	F	98.3	Very high	96.9	Very high	15 Å²	15	66 Å²	66	7%	0.066	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-73.5	-7.5	-177.9	-64.4	-66.6	0	0	0	114.2	L151 K152 L155 F237 L291 L309 C312 K313 K317 A318	L151-F315 HydrophobicContact CB-CE1 3.89Å; L151-F315 HydrophobicContact CB-CZ 4.46Å; K152-F315 HydrophobicContact CB-CD1 3.89Å; K152-F315 HydrophobicContact CB-CE1 4.34Å; K152-F315 HydrophobicContact CG-CD1 4.5Å; L155-F315 HydrophobicContact CD1-CD2 4.41Å; L155-F315 HydrophobicContact CD1-CE1 4.03Å; L155-F315 HydrophobicContact CD1-CE2 3.48Å; L155-F315 VanDerWaalsContact CD1-CE2 3.48Å; L155-F315 HydrophobicContact CD1-CZ 3.25Å; L155-F315 HydrophobicContact CG-CZ 4.45Å; F237-F315 HydrophobicContact CZ-CZ 4.08Å; L291-F315 HydrophobicContact CD1-CE2 3.63Å; L291-F315 HydrophobicContact CD1-CZ 3.94Å; L291-F315 HydrophobicContact CD2-CZ 4.2Å; L309-F315 HydrophobicContact CG-CE2 4.31Å; L309-F315 VanDerWaalsContact O-CD2 3.29Å; L309-F315 WeakPolarHBondContact O-CD2 3.47Å; L309-F315 WeakPolarHBondContact O-CE2 3.44Å; C312-F315 HydrophobicContact CB-CD2 4.08Å; C312-F315 HydrophobicContact CB-CE2 4.31Å; C312-F315 PolarHBondContact O-N 3.49Å; K313-F315 VanDerWaalsContact C-N 3.29Å; K313-F315 PolarHBondContact O-N 3.05Å; F315-K317 PolarHBondContact O-N 2.71Å; F315-A318 VanDerWaalsContact O-CB 3.26Å; F315-A318 WeakPolarHBondContact O-CB 3.41Å; F315-A318 PolarHBondContact O-N 2.59Å; F315-A318 VanDerWaalsContact O-N 3.16Å
316	Q	97.6	Very high	96.7	Very high	162 Å²	162	69.4 Å²	69.4	76%	0.757	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15	168	-62.4	179.2	-14.7	0	0	112.5	K313 F314 A318	K313-Q316 WeakPolarHBondContact O-CB 3.47Å; K313-Q316 PolarHBondContact O-N 3.05Å; F314-Q316 PolarHBondContact O-N 2.9Å; Q316-A318 VanDerWaalsContact C-N 3.34Å
317	K	98.1	Very high	96.4	Very high	73 Å²	73	72.2 Å²	72.2	32%	0.317	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-82.4	-12.3	175.3	-58.3	-173.8	179.5	-154.4	0	113.4	E144 A148 F314 F315	E144-K317 HydrophobicContact CB-CD 4.05Å; E144-K317 IonicContact OE2-NZ 2.57Å; E144-K317 PolarHBondContact OE2-NZ 3.01Å; A148-K317 HydrophobicContact CB-CB 4Å; F314-K317 HydrophobicContact CD2-CD 4.47Å; F314-K317 WeakPolarHBondContact O-CB 3.08Å; F314-K317 WeakPolarHBondContact O-CG 3.4Å; F314-K317 PolarHBondContact O-N 2.8Å; F314-K317 VanDerWaalsContact O-N 3.12Å; F315-K317 PolarHBondContact O-N 2.71Å
318	A	97.9	Very high	95.9	Very high	24 Å²	24	70.7 Å²	70.7	20%	0.198	33%	0.328	C	S	.	.			trans	-60	145.3	-179.2	0	0	0	0	0	111.3	A148 K152 F315 Q316	A148-A318 HydrophobicContact CB-CB 4.29Å; K152-A318 HydrophobicContact CD-CB 4.12Å; F315-A318 VanDerWaalsContact O-CB 3.26Å; F315-A318 WeakPolarHBondContact O-CB 3.41Å; F315-A318 PolarHBondContact O-N 2.59Å; F315-A318 VanDerWaalsContact O-N 3.16Å; Q316-A318 VanDerWaalsContact C-N 3.34Å
319	K	97.9	Very high	95.4	Very high	120 Å²	120	67.1 Å²	67.1	52%	0.522	31%	0.312	S	S	.	.			trans	-114.1	-166.3	177.8	-58.8	-60.2	-177.1	-179.5	0	109.5	A145 T149 Y323	A145-K319 HydrophobicContact CB-CG 4.45Å; T149-K319 WeakPolarHBondContact CG2-O 3.47Å; T149-K319 PolarHBondContact OG1-N 3.43Å; K319-Y323 HydrophobicContact CB-CD1 3.63Å; K319-Y323 HydrophobicContact CB-CD2 4.28Å; K319-Y323 HydrophobicContact CB-CE1 4.41Å; K319-Y323 HydrophobicContact CB-CG 3.56Å; K319-Y323 HydrophobicContact CG-CD1 3.71Å; K319-Y323 HydrophobicContact CG-CD2 4.11Å; K319-Y323 HydrophobicContact CG-CE1 4.01Å; K319-Y323 HydrophobicContact CG-CE2 4.35Å; K319-Y323 HydrophobicContact CG-CG 3.77Å
320	N	96	Very high	94.7	Very high	89 Å²	89	72.4 Å²	72.4	48%	0.476	34%	0.344	S	S	.	.			trans	-99.1	179	178.8	59.5	-2.3	0	0	0	111.7	E322 Y323 L324	N320-E322 VanDerWaalsContact C-N 3.31Å; N320-E322 VanDerWaalsContact CB-OE2 3.26Å; N320-E322 WeakPolarHBondContact CB-OE2 3.46Å; N320-E322 PolarHBondContact ND2-OE2 3.13Å; N320-E322 PolarHBondContact O-N 2.85Å; N320-Y323 WeakPolarHBondContact O-CB 3.41Å; N320-Y323 PolarHBondContact O-N 3.09Å; N320-Y323 WeakPolarHBondContact OD1-CB 3.44Å; N320-Y323 PolarHBondContact OD1-N 3.01Å; N320-Y323 VanDerWaalsContact OD1-N 3.16Å; N320-L324 PolarHBondContact O-N 2.9Å
321	R	94.6	Very high	93.6	Very high	101 Å²	101	78.2 Å²	78.2	38%	0.381	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-37.6	-179.7	-64.2	-175.3	-176.8	175	2	111.9	D181 Y323 L324 I325	D181-R321 IonicContact OD2-NH1 3.58Å; R321-Y323 PolarHBondContact O-N 2.77Å; R321-L324 WeakPolarHBondContact O-CB 3.23Å; R321-L324 PolarHBondContact O-N 3.46Å; R321-I325 WeakPolarHBondContact O-CG1 2.89Å; R321-I325 PolarHBondContact O-N 2.78Å
322	E	94.9	Very high	92.5	Very high	121 Å²	121	71 Å²	71	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-57.5	-39.3	177.7	-63.1	74.6	-162.9	0	0	111.4	N320 I325 E326	N320-E322 VanDerWaalsContact C-N 3.31Å; N320-E322 VanDerWaalsContact CB-OE2 3.26Å; N320-E322 WeakPolarHBondContact CB-OE2 3.46Å; N320-E322 PolarHBondContact ND2-OE2 3.13Å; N320-E322 PolarHBondContact O-N 2.85Å; E322-I325 PolarHBondContact O-N 3.18Å; E322-E326 WeakPolarHBondContact O-CB 3.48Å; E322-E326 PolarHBondContact O-N 3.13Å
323	Y	95.6	Very high	91.4	Very high	42 Å²	42	71 Å²	71	17%	0.165	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-41.1	174.5	-173.1	-98.2	0	0	0	112.7	E143 A145 I146 K319 N320 R321 K327	E143-Y323 VanDerWaalsContact CD-OH 3.3Å; E143-Y323 PolarHBondContact OE1-OH 2.74Å; E143-Y323 PolarHBondContact OE2-OH 3.45Å; A145-Y323 HydrophobicContact CB-CE1 4.28Å; I146-Y323 HydrophobicContact CG1-CE1 3.8Å; K319-Y323 HydrophobicContact CB-CD1 3.63Å; K319-Y323 HydrophobicContact CB-CD2 4.28Å; K319-Y323 HydrophobicContact CB-CE1 4.41Å; K319-Y323 HydrophobicContact CB-CG 3.56Å; K319-Y323 HydrophobicContact CG-CD1 3.71Å; K319-Y323 HydrophobicContact CG-CD2 4.11Å; K319-Y323 HydrophobicContact CG-CE1 4.01Å; K319-Y323 HydrophobicContact CG-CE2 4.35Å; K319-Y323 HydrophobicContact CG-CG 3.77Å; N320-Y323 WeakPolarHBondContact O-CB 3.41Å; N320-Y323 PolarHBondContact O-N 3.09Å; N320-Y323 WeakPolarHBondContact OD1-CB 3.44Å; N320-Y323 PolarHBondContact OD1-N 3.01Å; N320-Y323 VanDerWaalsContact OD1-N 3.16Å; R321-Y323 PolarHBondContact O-N 2.77Å; Y323-K327 HydrophobicContact CD1-CG 4.27Å; Y323-K327 HydrophobicContact CD2-CG 4.21Å; Y323-K327 HydrophobicContact CE1-CG 3.9Å; Y323-K327 HydrophobicContact CE2-CG 3.86Å; Y323-K327 HydrophobicContact CG-CG 4.41Å; Y323-K327 WeakPolarHBondContact O-CB 3.38Å; Y323-K327 WeakPolarHBondContact O-CG 3.48Å; Y323-K327 PolarHBondContact O-N 3.4Å
324	L	94.7	Very high	90.4	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-66.3	-40.6	176.1	-66.2	-175.5	0	0	0	111.6	I146 T149 I150 V184 N320 R321 L328 L329	I146-L324 HydrophobicContact CG2-CD2 4.25Å; T149-L324 HydrophobicContact CG2-CD1 3.84Å; T149-L324 HydrophobicContact CG2-CD2 3.97Å; T149-L324 HydrophobicContact CG2-CG 3.83Å; I150-L324 HydrophobicContact CG1-CD1 4.31Å; I150-L324 HydrophobicContact CG1-CD2 4.21Å; V184-L324 HydrophobicContact CG2-CD1 3.74Å; N320-L324 PolarHBondContact O-N 2.9Å; R321-L324 WeakPolarHBondContact O-CB 3.23Å; R321-L324 PolarHBondContact O-N 3.46Å; L324-L328 HydrophobicContact CD2-CD1 4.22Å; L324-L328 WeakPolarHBondContact O-CA 3.48Å; L324-L328 VanDerWaalsContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 PolarHBondContact O-N 3.26Å; L324-L329 PolarHBondContact O-N 2.65Å
325	I	93.4	Very high	89	Confident	58 Å²	58	67.4 Å²	67.4	30%	0.297	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-52.8	176.3	-63.2	163.6	0	0	0	109.6	R321 E322 K327 L329 T330	R321-I325 WeakPolarHBondContact O-CG1 2.89Å; R321-I325 PolarHBondContact O-N 2.78Å; E322-I325 PolarHBondContact O-N 3.18Å; I325-K327 PolarHBondContact O-N 3.22Å; I325-L329 HydrophobicContact CG1-CD1 4.01Å; I325-L329 PolarHBondContact O-N 2.86Å; I325-T330 PolarHBondContact O-N 3.01Å; I325-T330 PolarHBondContact O-OG1 2.95Å; I325-T330 VanDerWaalsContact O-OG1 3.08Å
326	E	92.9	Very high	87.5	Confident	109 Å²	109	68.9 Å²	68.9	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-45.1	-177.6	-168	-157.4	138.3	0	0	112.6	E322	E322-E326 WeakPolarHBondContact O-CB 3.48Å; E322-E326 PolarHBondContact O-N 3.13Å
327	K	92	Very high	86.2	Confident	60 Å²	60	66.1 Å²	66.1	26%	0.261	32%	0.324	S	S	.	.	H	α-helix	trans	-88.7	-29.8	-171.3	-61.9	-51.2	-173	-158.9	0	114.4	I146 Y323 I325 R331	I146-K327 HydrophobicContact CD1-CB 3.93Å; Y323-K327 HydrophobicContact CD1-CG 4.27Å; Y323-K327 HydrophobicContact CD2-CG 4.21Å; Y323-K327 HydrophobicContact CE1-CG 3.9Å; Y323-K327 HydrophobicContact CE2-CG 3.86Å; Y323-K327 HydrophobicContact CG-CG 4.41Å; Y323-K327 WeakPolarHBondContact O-CB 3.38Å; Y323-K327 WeakPolarHBondContact O-CG 3.48Å; Y323-K327 PolarHBondContact O-N 3.4Å; I325-K327 PolarHBondContact O-N 3.22Å; K327-R331 WeakPolarHBondContact O-CD 3.39Å
328	L	88.7	Confident	84.6	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.031	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-56.6	-177	-66.3	-175.3	0	0	0	113	M124 I127 L142 I146 I150 L178 L324 R331 T332	M124-L328 HydrophobicContact CE-CD1 4.28Å; I127-L328 HydrophobicContact CD1-CB 4.37Å; I127-L328 HydrophobicContact CD1-CD1 4.24Å; I127-L328 HydrophobicContact CG2-CD2 4.07Å; L142-L328 HydrophobicContact CD2-CD2 4Å; I146-L328 HydrophobicContact CD1-CD2 3.88Å; I146-L328 HydrophobicContact CD1-CG 4.18Å; I146-L328 HydrophobicContact CG2-CD1 3.7Å; I146-L328 HydrophobicContact CG2-CD2 4.23Å; I146-L328 HydrophobicContact CG2-CG 4.15Å; I150-L328 HydrophobicContact CD1-CD1 4.03Å; L178-L328 HydrophobicContact CD1-CD1 4.27Å; L324-L328 HydrophobicContact CD2-CD1 4.22Å; L324-L328 WeakPolarHBondContact O-CA 3.48Å; L324-L328 VanDerWaalsContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 PolarHBondContact O-N 3.26Å; L328-R331 PolarHBondContact O-N 3.17Å; L328-T332 WeakPolarHBondContact O-CG2 3.24Å; L328-T332 PolarHBondContact O-N 2.86Å; L328-T332 PolarHBondContact O-OG1 3.14Å
329	L	85.9	Confident	82.7	Confident	28 Å²	28	64.2 Å²	64.2	15%	0.147	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-71.3	-38.5	-167.2	-62.1	177.9	0	0	0	112.2	L178 G179 L324 I325 R331 T332	L178-L329 HydrophobicContact CB-CD2 4.21Å; L178-L329 HydrophobicContact CD1-CD2 3.9Å; G179-L329 VanDerWaalsContact O-CD1 3.28Å; G179-L329 WeakPolarHBondContact O-CD1 3.38Å; L324-L329 PolarHBondContact O-N 2.65Å; I325-L329 HydrophobicContact CG1-CD1 4.01Å; I325-L329 PolarHBondContact O-N 2.86Å; L329-R331 PolarHBondContact O-N 2.87Å; L329-R331 VanDerWaalsContact O-N 3.16Å; L329-T332 PolarHBondContact O-N 2.83Å
330	T	83.6	Confident	80.6	Confident	111 Å²	111	67.4 Å²	67.4	68%	0.681	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.5	175.3	-50.9	0	0	0	0	113.2	I325	I325-T330 PolarHBondContact O-N 3.01Å; I325-T330 PolarHBondContact O-OG1 2.95Å; I325-T330 VanDerWaalsContact O-OG1 3.08Å
331	R	74	Confident	78.2	Confident	155 Å²	155	71.4 Å²	71.4	59%	0.585	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-99.3	-13.9	-175.3	-63.1	-169.4	178.4	-166.3	-2.2	113.9	Y130 K327 L328 L329	Y130-R331 WeakPolarHBondContact CE1-O 3.45Å; Y130-R331 VanDerWaalsContact CZ-O 3.24Å; Y130-R331 PolarHBondContact OH-O 3.32Å; Y130-R331 VanDerWaalsContact OH-O 3.1Å; K327-R331 WeakPolarHBondContact O-CD 3.39Å; L328-R331 PolarHBondContact O-N 3.17Å; L329-R331 PolarHBondContact O-N 2.87Å; L329-R331 VanDerWaalsContact O-N 3.16Å
332	T	74.9	Confident	75.8	Confident	19 Å²	19	69.4 Å²	69.4	12%	0.117	34%	0.34	C	S	.	.	S	Bend	trans	-107	145.2	-174	49.2	0	0	0	0	110.3	I127 Y130 L328 L329	I127-T332 HydrophobicContact CB-CG2 4.49Å; I127-T332 HydrophobicContact CG1-CG2 4.1Å; I127-T332 HydrophobicContact CG2-CG2 4.21Å; Y130-T332 HydrophobicContact CD1-CG2 3.85Å; Y130-T332 HydrophobicContact CE1-CG2 4.34Å; Y130-T332 HydrophobicContact CG-CG2 4.3Å; L328-T332 WeakPolarHBondContact O-CG2 3.24Å; L328-T332 PolarHBondContact O-N 2.86Å; L328-T332 PolarHBondContact O-OG1 3.14Å; L329-T332 PolarHBondContact O-N 2.83Å
333	P	73.3	Confident	73.3	Confident	31 Å²	31	75.1 Å²	75.1	20%	0.201	36%	0.357	C	S	.	.			trans	-61.9	148.8	177.6	24.4	-32.3	0	0	0	110.1	Y130 Q337 R338	Y130-P333 VanDerWaalsContact CD2-CD 3.47Å; Y130-P333 HydrophobicContact CD2-CG 4.03Å; Y130-P333 VanDerWaalsContact CE2-CD 3.49Å; Y130-P333 HydrophobicContact CE2-CG 4.2Å; P333-Q337 VanDerWaalsContact CA-OE1 3.25Å; P333-Q337 HydrophobicContact CB-CB 3.91Å; P333-R338 HydrophobicContact CB-CG 4.37Å; P333-R338 HydrophobicContact CG-CG 3.99Å; P333-R338 PolarHBondContact O-NE 3.07Å; P333-R338 PolarHBondContact O-NH2 2.73Å
334	D	74.6	Confident	70.7	Confident	75 Å²	75	77 Å²	77	40%	0.401	36%	0.363	S	S	.	.			trans	-69.1	170.1	175.5	65.2	49.5	0	0	0	112.1	A336 Q337 R338	D334-A336 VanDerWaalsContact C-N 3.28Å; D334-A336 PolarHBondContact O-N 3.5Å; D334-A336 WeakPolarHBondContact OD1-CA 3.27Å; D334-A336 WeakPolarHBondContact OD1-CB 3.38Å; D334-A336 PolarHBondContact OD1-N 2.93Å; D334-Q337 PolarHBondContact O-N 2.86Å; D334-Q337 WeakPolarHBondContact OD1-CB 3.13Å; D334-Q337 VanDerWaalsContact OD1-CG 3.29Å; D334-Q337 WeakPolarHBondContact OD1-CG 3.49Å; D334-Q337 PolarHBondContact OD1-N 3.45Å; D334-Q337 PolarHBondContact OD2-NE2 3.35Å; D334-R338 WeakPolarHBondContact O-CG 3.49Å; D334-R338 PolarHBondContact O-N 3.3Å
335	I	70.3	Confident	67.9	Low	13 Å²	13	80 Å²	80	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-60.4	-34.7	-178.2	-163.1	162.1	0	0	0	113.1	I47 L118 S120 R338 A339	I47-I335 HydrophobicContact CD1-CD1 4.04Å; I47-I335 HydrophobicContact CG1-CD1 4.01Å; I47-I335 HydrophobicContact CG1-CG1 4.47Å; I47-I335 HydrophobicContact CG2-CD1 3.82Å; I47-I335 HydrophobicContact CG2-CG1 4.27Å; L118-I335 HydrophobicContact CD1-CD1 4.25Å; S120-I335 WeakPolarHBondContact O-CB 3.34Å; I335-R338 PolarHBondContact O-N 2.91Å; I335-A339 WeakPolarHBondContact O-CB 3.38Å; I335-A339 PolarHBondContact O-N 3.43Å
336	A	66.9	Low	65	Low	47 Å²	47	81.2 Å²	81.2	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-71.4	-39	-179.5	0	0	0	0	0	111.2	D334 R338 A339 K340	D334-A336 VanDerWaalsContact C-N 3.28Å; D334-A336 PolarHBondContact O-N 3.5Å; D334-A336 WeakPolarHBondContact OD1-CA 3.27Å; D334-A336 WeakPolarHBondContact OD1-CB 3.38Å; D334-A336 PolarHBondContact OD1-N 2.93Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 2.98Å; A336-A339 PolarHBondContact O-N 3.2Å; A336-K340 PolarHBondContact O-N 2.78Å
337	Q	69.2	Low	62.5	Low	103 Å²	103	76.9 Å²	76.9	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-32.9	173	-69.6	173.1	-1.4	0	0	112.1	P333 D334	P333-Q337 VanDerWaalsContact CA-OE1 3.25Å; P333-Q337 HydrophobicContact CB-CB 3.91Å; D334-Q337 PolarHBondContact O-N 2.86Å; D334-Q337 WeakPolarHBondContact OD1-CB 3.13Å; D334-Q337 VanDerWaalsContact OD1-CG 3.29Å; D334-Q337 WeakPolarHBondContact OD1-CG 3.49Å; D334-Q337 PolarHBondContact OD1-N 3.45Å; D334-Q337 PolarHBondContact OD2-NE2 3.35Å
338	R	65.9	Low	60.3	Low	37 Å²	37	76.6 Å²	76.6	14%	0.14	38%	0.383	C	S	.	.	H	α-helix	trans	-74.4	-41.9	174.7	-67.1	177.5	-144.8	174.7	9.7	112.2	G121 D126 P333 D334 I335 A336 K340 K341 V342	G121-R338 VanDerWaalsContact O-CZ 3.31Å; G121-R338 PolarHBondContact O-NH1 2.91Å; G121-R338 PolarHBondContact O-NH2 2.85Å; D126-R338 IonicContact OD2-NH1 3.93Å; P333-R338 HydrophobicContact CB-CG 4.37Å; P333-R338 HydrophobicContact CG-CG 3.99Å; P333-R338 PolarHBondContact O-NE 3.07Å; P333-R338 PolarHBondContact O-NH2 2.73Å; D334-R338 WeakPolarHBondContact O-CG 3.49Å; D334-R338 PolarHBondContact O-N 3.3Å; I335-R338 PolarHBondContact O-N 2.91Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 2.98Å; R338-K340 PolarHBondContact O-N 2.9Å; R338-K341 WeakPolarHBondContact O-CA 3.43Å; R338-K341 WeakPolarHBondContact O-CB 3.49Å; R338-K341 PolarHBondContact O-N 3.39Å; R338-V342 PolarHBondContact O-N 2.91Å
339	A	57.9	Low	58.2	Low	21 Å²	21	79.4 Å²	79.4	17%	0.174	40%	0.404	C	S	.	.	H	α-helix	trans	-56.5	-38.4	-179.9	0	0	0	0	0	112.2	E45 I335 A336 K341 V342	E45-A339 HydrophobicContact CB-CB 4.13Å; E45-A339 HydrophobicContact CG-CB 3.99Å; I335-A339 WeakPolarHBondContact O-CB 3.38Å; I335-A339 PolarHBondContact O-N 3.43Å; A336-A339 PolarHBondContact O-N 3.2Å; A339-K341 PolarHBondContact O-N 3.4Å; A339-K341 VanDerWaalsContact O-N 3.13Å; A339-V342 PolarHBondContact O-N 2.98Å; A339-V342 VanDerWaalsContact O-N 3.09Å
340	K	52.6	Low	56.9	Low	186 Å²	186	78.1 Å²	78.1	81%	0.809	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	174.3	-67.9	-179.7	-178	-174.2	0	114.4	A336 R338	A336-K340 PolarHBondContact O-N 2.78Å; R338-K340 PolarHBondContact O-N 2.9Å
341	K	47.3	Very low	55.6	Low	174 Å²	174	74.7 Å²	74.7	76%	0.757	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.2	179.1	-68.1	-174.3	179.2	-177.9	0	113.6	R338 A339 R343	R338-K341 WeakPolarHBondContact O-CA 3.43Å; R338-K341 WeakPolarHBondContact O-CB 3.49Å; R338-K341 PolarHBondContact O-N 3.39Å; A339-K341 PolarHBondContact O-N 3.4Å; A339-K341 VanDerWaalsContact O-N 3.13Å; K341-R343 PolarHBondContact O-N 3.25Å
342	V	43.8	Very low	54.9	Low	58 Å²	58	67.7 Å²	67.7	35%	0.352	35%	0.348	S	S	.	.			trans	-72.4	71.9	172.9	-174.4	0	0	0	0	107.7	R338 A339 R344	R338-V342 PolarHBondContact O-N 2.91Å; A339-V342 PolarHBondContact O-N 2.98Å; A339-V342 VanDerWaalsContact O-N 3.09Å; V342-R344 PolarHBondContact O-N 3.46Å
343	R	42.4	Very low	54.3	Low	242 Å²	242	69.4 Å²	69.4	91%	0.913	35%	0.354	S	S	*	.			trans	-62.4	115.5	157.8	-84.1	-173.5	173	-171.9	-3.8	105.5	K341	K341-R343 PolarHBondContact O-N 3.25Å
344	R	39.5	Very low	53.3	Low	81 Å²	81	70.4 Å²	70.4	31%	0.306	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.2	155.2	-171.6	-69.1	174.8	168.7	-173	-19	111.3	V342 W362 D364	V342-R344 PolarHBondContact O-N 3.46Å; R344-W362 VanDerWaalsContact NH1-CZ3 3.34Å; R344-D364 IonicContact CZ-OD1 2.75Å; R344-D364 IonicContact CZ-OD2 3.49Å; R344-D364 IonicContact NH1-OD1 3.45Å; R344-D364 PolarHBondContact NH1-OD1 2.75Å; R344-D364 VanDerWaalsContact NH1-OD1 3.11Å; R344-D364 IonicContact NH1-OD2 3.88Å; R344-D364 PolarHBondContact NH1-OD2 3.11Å; R344-D364 IonicContact NH2-OD2 3.43Å; R344-D364 PolarHBondContact NH2-OD2 2.7Å
345	V	36.2	Very low	52.5	Low	67 Å²	67	68 Å²	68	41%	0.406	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.8	126.9	-175.1	-178.7	0	0	0	0	109.6	G347	V345-G347 PolarHBondContact O-N 2.91Å
346	P	33.5	Very low	51.4	Low	83 Å²	83	77 Å²	77	54%	0.539	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	126	172.6	-25.4	33.3	0	0	0	110.9
347	G	40.5	Very low	50.6	Low	18 Å²	18	81.9 Å²	81.9	19%	0.186	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.2	13.4	171.7	0	0	0	0	0	117.7	V345 N444	V345-G347 PolarHBondContact O-N 2.91Å; G347-N444 VanDerWaalsContact CA-ND2 3.28Å; G347-N444 WeakPolarHBondContact CA-ND2 3.24Å; G347-N444 PolarHBondContact O-ND2 2.85Å
348	S	44.3	Very low	49.4	Very low	53 Å²	53	78.4 Å²	78.4	37%	0.371	40%	0.396	S	S	.	.			trans	-79.3	141.8	160.8	42.5	0	0	0	0	111.1	W362	S348-W362 VanDerWaalsContact O-CZ2 3.24Å; S348-W362 WeakPolarHBondContact O-CZ2 3.32Å; S348-W362 WeakPolarHBondContact OG-CH2 3.47Å; S348-W362 VanDerWaalsContact OG-CZ2 3.3Å; S348-W362 WeakPolarHBondContact OG-CZ2 3.28Å
349	S	45.8	Very low	48.3	Very low	66 Å²	66	81.9 Å²	81.9	46%	0.462	42%	0.417	S	S	.	.			trans	-65.2	138.1	168.3	-55.6	0	0	0	0	110.5	W362	S349-W362 VanDerWaalsContact O-CZ2 3.3Å; S349-W362 WeakPolarHBondContact O-CZ2 3.42Å
350	G	58.5	Low	47.9	Very low	1 Å²	1	83.5 Å²	83.5	1%	0.01	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	-173.8	-179.7	0	0	0	0	0	112.6	W362 R447	G350-W362 VanDerWaalsContact CA-CZ2 3.48Å; G350-R447 PolarHBondContact O-N 3.48Å
351	H	56.5	Low	47.8	Very low	38 Å²	38	79.9 Å²	79.9	18%	0.176	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.1	-174.3	-169.3	51.2	0	0	0	111.6	W362 S363 D368 R447	H351-W362 CarbonylContact O-C 3.56Å; H351-W362 WeakPolarHBondContact O-CA 3.47Å; H351-S363 PolarHBondContact N-O 3.32Å; H351-S363 PolarHBondContact O-N 3.14Å; H351-D368 IonicContact CD2-OD2 2.69Å; H351-D368 PolarHBondContact CD2-OD2 2.81Å; H351-R447 WeakPolarHBondContact CA-O 3Å; H351-R447 PolarHBondContact ND1-O 3.34Å; H351-R447 VanDerWaalsContact ND1-O 3.12Å
352	L	59.3	Low	47.9	Very low	9 Å²	9	74.4 Å²	74.4	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.9	174.1	-167.4	73.4	0	0	0	108.7	W360 W362 R447 F448 L464	L352-W360 HydrophobicContact CD1-CB 4.44Å; L352-W360 HydrophobicContact CD2-CD2 4.48Å; L352-W360 HydrophobicContact CD2-CE3 3.99Å; L352-W360 HydrophobicContact CD2-CZ3 4.4Å; L352-W360 HydrophobicContact CG-CE3 3.79Å; L352-W360 HydrophobicContact CG-CZ3 4.35Å; L352-W362 HydrophobicContact CD1-CB 4.25Å; L352-R447 PolarHBondContact N-O 3.06Å; L352-F448 HydrophobicContact CB-CB 4.1Å; L352-L464 HydrophobicContact CD2-CD2 4.07Å
353	H	62.5	Low	48.3	Very low	54 Å²	54	72.3 Å²	72.3	25%	0.25	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	162.7	-179.4	72.8	81.3	0	0	0	111.8	W360 E361 S363	H353-W360 CarbonylContact O-C 3.52Å; H353-W360 WeakPolarHBondContact O-CA 3.06Å; H353-E361 PolarHBondContact N-O 3.41Å; H353-E361 PolarHBondContact O-N 3.2Å; H353-E361 VanDerWaalsContact O-O 3.05Å; H353-S363 PolarHBondContact CD2-OG 2.94Å
354	K	52.1	Low	48.8	Very low	53 Å²	53	63.4 Å²	63.4	23%	0.23	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141	171.3	-82	179.5	170.1	171.3	0	111.5	D359 W360 D455	K354-D359 CarbonylContact C-O 3.55Å; K354-D359 WeakPolarHBondContact CA-O 2.95Å; K354-W360 HydrophobicContact CD-CZ2 4.24Å; K354-W360 HydrophobicContact CG-CD2 3.85Å; K354-W360 HydrophobicContact CG-CE3 3.9Å; K354-W360 HydrophobicContact CG-CG 4.43Å; K354-W360 HydrophobicContact CG-CH2 4.29Å; K354-W360 HydrophobicContact CG-CZ2 4.21Å; K354-W360 HydrophobicContact CG-CZ3 4.14Å; K354-D455 IonicContact NZ-OD1 2.58Å; K354-D455 PolarHBondContact NZ-OD1 2.89Å
355	T	56.7	Low	49.2	Very low	24 Å²	24	61.4 Å²	61.4	15%	0.147	33%	0.334	C	S	.	.			trans	-77.2	169.9	167.7	63.3	0	0	0	0	111.1	D357 G358 D359 E361	T355-D357 PolarHBondContact O-N 3.13Å; T355-G358 PolarHBondContact O-N 3.36Å; T355-D359 PolarHBondContact N-O 3.46Å; T355-D359 PolarHBondContact OG1-N 3.38Å; T355-D359 PolarHBondContact OG1-O 3.36Å; T355-E361 HydrophobicContact CG2-CB 3.78Å; T355-E361 HydrophobicContact CG2-CG 3.33Å; T355-E361 WeakPolarHBondContact CG2-OE1 3.3Å; T355-E361 WeakPolarHBondContact CG2-OE2 3.21Å
356	E	48.1	Very low	49.7	Very low	201 Å²	201	63.1 Å²	63.1	94%	0.939	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.6	174.9	-62.7	-172.8	162.5	0	0	112.4	G358	E356-G358 VanDerWaalsContact C-N 3.31Å
357	D	50.4	Low	50	Low	151 Å²	151	65.1 Å²	65.1	81%	0.807	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5	177.1	-62.9	-42	0	0	0	113.4	T355	T355-D357 PolarHBondContact O-N 3.13Å
358	G	44.2	Very low	50.4	Low	29 Å²	29	65.2 Å²	65.2	30%	0.299	34%	0.337	S	S	.	.	S	Bend	trans	90.7	2.5	177	0	0	0	0	0	115.4	T355 E356	T355-G358 PolarHBondContact O-N 3.36Å; E356-G358 VanDerWaalsContact C-N 3.31Å
359	D	42.9	Very low	50.6	Low	110 Å²	110	69.7 Å²	69.7	59%	0.588	35%	0.352	S	S	*	.			trans	-78.6	147.2	175.2	-71.1	-34	0	0	0	111.2	K354 T355	K354-D359 CarbonylContact C-O 3.55Å; K354-D359 WeakPolarHBondContact CA-O 2.95Å; T355-D359 PolarHBondContact N-O 3.46Å; T355-D359 PolarHBondContact OG1-N 3.38Å; T355-D359 PolarHBondContact OG1-O 3.36Å
360	W	49.5	Very low	50.5	Low	55 Å²	55	74.3 Å²	74.3	21%	0.208	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.4	176.2	-69.4	97.7	0	0	0	111	L352 H353 K354 V460	L352-W360 HydrophobicContact CD1-CB 4.44Å; L352-W360 HydrophobicContact CD2-CD2 4.48Å; L352-W360 HydrophobicContact CD2-CE3 3.99Å; L352-W360 HydrophobicContact CD2-CZ3 4.4Å; L352-W360 HydrophobicContact CG-CE3 3.79Å; L352-W360 HydrophobicContact CG-CZ3 4.35Å; H353-W360 CarbonylContact O-C 3.52Å; H353-W360 WeakPolarHBondContact O-CA 3.06Å; K354-W360 HydrophobicContact CD-CZ2 4.24Å; K354-W360 HydrophobicContact CG-CD2 3.85Å; K354-W360 HydrophobicContact CG-CE3 3.9Å; K354-W360 HydrophobicContact CG-CG 4.43Å; K354-W360 HydrophobicContact CG-CH2 4.29Å; K354-W360 HydrophobicContact CG-CZ2 4.21Å; K354-W360 HydrophobicContact CG-CZ3 4.14Å; W360-V460 HydrophobicContact CH2-CG2 4.44Å; W360-V460 HydrophobicContact CZ2-CG2 4.05Å
361	E	50.5	Low	50	Low	111 Å²	111	75.1 Å²	75.1	52%	0.519	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	152.3	175.7	-81.9	-172.6	177.2	0	0	111.5	H353 T355	H353-E361 PolarHBondContact N-O 3.41Å; H353-E361 PolarHBondContact O-N 3.2Å; H353-E361 VanDerWaalsContact O-O 3.05Å; T355-E361 HydrophobicContact CG2-CB 3.78Å; T355-E361 HydrophobicContact CG2-CG 3.33Å; T355-E361 WeakPolarHBondContact CG2-OE1 3.3Å; T355-E361 WeakPolarHBondContact CG2-OE2 3.21Å
362	W	49	Very low	49.4	Very low	59 Å²	59	81.1 Å²	81.1	22%	0.223	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.1	-175.5	-172.8	82	0	0	0	110.2	R344 S348 S349 G350 H351 L352 D364	R344-W362 VanDerWaalsContact NH1-CZ3 3.34Å; S348-W362 VanDerWaalsContact O-CZ2 3.24Å; S348-W362 WeakPolarHBondContact O-CZ2 3.32Å; S348-W362 WeakPolarHBondContact OG-CH2 3.47Å; S348-W362 VanDerWaalsContact OG-CZ2 3.3Å; S348-W362 WeakPolarHBondContact OG-CZ2 3.28Å; S349-W362 VanDerWaalsContact O-CZ2 3.3Å; S349-W362 WeakPolarHBondContact O-CZ2 3.42Å; G350-W362 VanDerWaalsContact CA-CZ2 3.48Å; H351-W362 CarbonylContact O-C 3.56Å; H351-W362 WeakPolarHBondContact O-CA 3.47Å; L352-W362 HydrophobicContact CD1-CB 4.25Å; W362-D364 WeakPolarHBondContact CH2-OD1 3.31Å; W362-D364 WeakPolarHBondContact CZ3-OD1 3.3Å
363	S	51.8	Low	48.6	Very low	14 Å²	14	86.1 Å²	86.1	10%	0.098	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.4	-179.9	59.7	0	0	0	0	111.5	H351 H353	H351-S363 PolarHBondContact N-O 3.32Å; H351-S363 PolarHBondContact O-N 3.14Å; H353-S363 PolarHBondContact CD2-OG 2.94Å
364	D	53.3	Low	47.8	Very low	54 Å²	54	83.8 Å²	83.8	29%	0.289	41%	0.412	S	S	.	.			trans	-77.7	145.6	166.2	-64.2	-35.9	0	0	0	108.9	R344 W362 E366 M367	R344-D364 IonicContact CZ-OD1 2.75Å; R344-D364 IonicContact CZ-OD2 3.49Å; R344-D364 IonicContact NH1-OD1 3.45Å; R344-D364 PolarHBondContact NH1-OD1 2.75Å; R344-D364 VanDerWaalsContact NH1-OD1 3.11Å; R344-D364 IonicContact NH1-OD2 3.88Å; R344-D364 PolarHBondContact NH1-OD2 3.11Å; R344-D364 IonicContact NH2-OD2 3.43Å; R344-D364 PolarHBondContact NH2-OD2 2.7Å; W362-D364 WeakPolarHBondContact CH2-OD1 3.31Å; W362-D364 WeakPolarHBondContact CZ3-OD1 3.3Å; D364-E366 PolarHBondContact O-N 3.03Å; D364-M367 PolarHBondContact O-N 2.69Å
365	D	46.9	Very low	47.7	Very low	40 Å²	40	86.4 Å²	86.4	21%	0.214	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.3	-176.3	-68.8	-23	0	0	0	113.9	S371 R447	D365-S371 PolarHBondContact O-OG 3.24Å; D365-R447 IonicContact OD1-NH2 2.8Å; D365-R447 IonicContact OD2-CZ 3.5Å; D365-R447 IonicContact OD2-NH2 3.5Å; D365-R447 PolarHBondContact OD2-NH2 3.36Å
366	E	46.8	Very low	47.4	Very low	103 Å²	103	87.8 Å²	87.8	48%	0.481	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.5	178.1	-72	-161.2	138.6	0	0	115.7	R71 K109 D364	R71-E366 IonicContact NH2-OE2 3.4Å; K109-E366 IonicContact NZ-OE1 2.65Å; K109-E366 PolarHBondContact NZ-OE1 2.72Å; D364-E366 PolarHBondContact O-N 3.03Å
367	M	40.5	Very low	47.5	Very low	125 Å²	125	81.1 Å²	81.1	62%	0.616	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-5.1	-178.3	-83.2	-171.4	173.4	0	0	113.8	D364	D364-M367 PolarHBondContact O-N 2.69Å
368	D	49.1	Very low	47.3	Very low	20 Å²	20	78.7 Å²	78.7	11%	0.107	40%	0.399	C	S	.	.			trans	-91.2	106.1	179.1	-173.3	-3.9	0	0	0	111.3	H351 K370 S371 G374	H351-D368 IonicContact CD2-OD2 2.69Å; H351-D368 PolarHBondContact CD2-OD2 2.81Å; D368-K370 PolarHBondContact O-N 3.1Å; D368-K370 VanDerWaalsContact OD1-CB 3.28Å; D368-K370 WeakPolarHBondContact OD1-CB 3.28Å; D368-K370 PolarHBondContact OD1-N 3.42Å; D368-S371 PolarHBondContact O-N 2.85Å; D368-S371 PolarHBondContact O-OG 2.87Å; D368-S371 VanDerWaalsContact O-OG 3.07Å; D368-G374 WeakPolarHBondContact O-CA 3.23Å
369	E	48.9	Very low	47.4	Very low	146 Å²	146	80.7 Å²	80.7	68%	0.682	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.4	176.3	-63.2	-172.8	165.5	0	0	113.6	K375	E369-K375 WeakPolarHBondContact O-CG 3.38Å
370	K	43.9	Very low	47.7	Very low	163 Å²	163	82.4 Å²	82.4	71%	0.709	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-17.6	178.1	-59.5	177.6	-179.2	173.2	0	113.3	D368 K375	D368-K370 PolarHBondContact O-N 3.1Å; D368-K370 VanDerWaalsContact OD1-CB 3.28Å; D368-K370 WeakPolarHBondContact OD1-CB 3.28Å; D368-K370 PolarHBondContact OD1-N 3.42Å; K370-K375 VanDerWaalsContact O-CE 3.24Å; K370-K375 WeakPolarHBondContact O-CE 3.28Å; K370-K375 PolarHBondContact O-NZ 3.04Å
371	S	46.5	Very low	47.4	Very low	19 Å²	19	84.5 Å²	84.5	13%	0.133	42%	0.424	C	S	.	.	S	Bend	trans	-70.2	155.5	176.8	81.7	0	0	0	0	111.1	D365 D368 E373 G374 K375	D365-S371 PolarHBondContact O-OG 3.24Å; D368-S371 PolarHBondContact O-N 2.85Å; D368-S371 PolarHBondContact O-OG 2.87Å; D368-S371 VanDerWaalsContact O-OG 3.07Å; S371-E373 PolarHBondContact O-N 3.41Å; S371-E373 PolarHBondContact OG-N 3.19Å; S371-G374 PolarHBondContact O-N 3.4Å; S371-G374 PolarHBondContact OG-N 3.27Å; S371-K375 WeakPolarHBondContact O-CB 3.46Å; S371-K375 VanDerWaalsContact O-CG 3.26Å; S371-K375 WeakPolarHBondContact O-CG 3.24Å; S371-K375 PolarHBondContact O-N 2.92Å
372	E	44.3	Very low	46.9	Very low	164 Å²	164	85.5 Å²	85.5	77%	0.766	43%	0.427	S	S	*	.	H	α-helix	trans	-57.7	-36.5	173.5	-73.9	-100.6	133.2	0	0	111	A376	E372-A376 VanDerWaalsContact O-CB 3.32Å; E372-A376 WeakPolarHBondContact O-CB 3.36Å; E372-A376 PolarHBondContact O-N 3.02Å
373	E	43.6	Very low	46.3	Very low	113 Å²	113	86.7 Å²	86.7	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-72.7	-38.6	179	-71	136.5	164	0	0	112.6	S371 A376 A377	S371-E373 PolarHBondContact O-N 3.41Å; S371-E373 PolarHBondContact OG-N 3.19Å; E373-A376 PolarHBondContact O-N 3.25Å; E373-A377 PolarHBondContact O-N 3.34Å
374	G	45.6	Very low	45.8	Very low	6 Å²	6	92.9 Å²	92.9	6%	0.062	47%	0.466	C	S	.	.	H	α-helix	trans	-72.4	-36.3	173.3	0	0	0	0	0	113.2	D368 S371 A376 A377 F378	D368-G374 WeakPolarHBondContact O-CA 3.23Å; S371-G374 PolarHBondContact O-N 3.4Å; S371-G374 PolarHBondContact OG-N 3.27Å; G374-A376 VanDerWaalsContact C-N 3.34Å; G374-A377 PolarHBondContact O-N 2.88Å; G374-F378 WeakPolarHBondContact O-CB 3.39Å; G374-F378 PolarHBondContact O-N 3.46Å
375	K	49.4	Very low	45.1	Very low	107 Å²	107	99.2 Å²	99.2	47%	0.465	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-38.6	170.8	-75.8	167.6	177.7	150.8	0	111.8	E369 K370 S371 F378 S379	E369-K375 WeakPolarHBondContact O-CG 3.38Å; K370-K375 VanDerWaalsContact O-CE 3.24Å; K370-K375 WeakPolarHBondContact O-CE 3.28Å; K370-K375 PolarHBondContact O-NZ 3.04Å; S371-K375 WeakPolarHBondContact O-CB 3.46Å; S371-K375 VanDerWaalsContact O-CG 3.26Å; S371-K375 WeakPolarHBondContact O-CG 3.24Å; S371-K375 PolarHBondContact O-N 2.92Å; K375-F378 PolarHBondContact O-N 3.3Å; K375-S379 VanDerWaalsContact O-CB 3.24Å; K375-S379 WeakPolarHBondContact O-CB 3.37Å; K375-S379 PolarHBondContact O-N 2.97Å; K375-S379 PolarHBondContact O-OG 2.84Å
376	A	50.7	Low	44.6	Very low	54 Å²	54	103.4 Å²	103.4	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-40.8	174.6	0	0	0	0	0	111.7	E372 E373 G374 Q380	E372-A376 VanDerWaalsContact O-CB 3.32Å; E372-A376 WeakPolarHBondContact O-CB 3.36Å; E372-A376 PolarHBondContact O-N 3.02Å; E373-A376 PolarHBondContact O-N 3.25Å; G374-A376 VanDerWaalsContact C-N 3.34Å; A376-Q380 PolarHBondContact O-N 3.49Å
377	A	49.1	Very low	44.2	Very low	60 Å²	60	107.6 Å²	107.6	50%	0.496	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-43.7	174.4	0	0	0	0	0	112.3	E373 G374 E381	E373-A377 PolarHBondContact O-N 3.34Å; G374-A377 PolarHBondContact O-N 2.88Å; A377-E381 PolarHBondContact O-N 2.84Å
378	F	46.2	Very low	44.1	Very low	101 Å²	101	109 Å²	109	44%	0.443	53%	0.534	S	S	.	.	H	α-helix	trans	-73.3	-33.5	180	-165.6	-97.8	0	0	0	113.5	G374 K375 Q380 E381 K382	G374-F378 WeakPolarHBondContact O-CB 3.39Å; G374-F378 PolarHBondContact O-N 3.46Å; K375-F378 PolarHBondContact O-N 3.3Å; F378-Q380 VanDerWaalsContact C-N 3.34Å; F378-E381 WeakPolarHBondContact O-CB 3.43Å; F378-E381 PolarHBondContact O-N 3.28Å; F378-K382 HydrophobicContact CD1-CD 4.43Å; F378-K382 HydrophobicContact CE1-CD 3.97Å; F378-K382 HydrophobicContact CE1-CG 4.34Å; F378-K382 PolarHBondContact O-N 2.85Å; F378-K382 VanDerWaalsContact O-N 3.09Å
379	S	46.6	Very low	43.3	Very low	70 Å²	70	116.8 Å²	116.8	49%	0.49	57%	0.57	S	S	.	*	H	α-helix	trans	-70.3	-30	178.3	-61.5	0	0	0	0	112.6	K375 S383	K375-S379 VanDerWaalsContact O-CB 3.24Å; K375-S379 WeakPolarHBondContact O-CB 3.37Å; K375-S379 PolarHBondContact O-N 2.97Å; K375-S379 PolarHBondContact O-OG 2.84Å; S379-S383 PolarHBondContact O-N 3.04Å; S379-S383 PolarHBondContact O-OG 2.92Å
380	Q	48.5	Very low	42.3	Very low	147 Å²	147	117.2 Å²	117.2	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-70.3	-35.5	170.7	-74.1	-175	2.1	0	0	112.1	A376 F378 S383 R384	A376-Q380 PolarHBondContact O-N 3.49Å; F378-Q380 VanDerWaalsContact C-N 3.34Å; Q380-S383 PolarHBondContact O-N 3.09Å; Q380-R384 PolarHBondContact O-N 3.06Å; Q380-R384 VanDerWaalsContact O-N 3.14Å
381	E	43.9	Very low	41.8	Very low	98 Å²	98	114.5 Å²	114.5	46%	0.458	58%	0.576	S	S	.	*	H	α-helix	trans	-65.8	-43.3	176	-168.1	66.2	-157.3	0	0	112.1	A377 F378 R384 R385	A377-E381 PolarHBondContact O-N 2.84Å; F378-E381 WeakPolarHBondContact O-CB 3.43Å; F378-E381 PolarHBondContact O-N 3.28Å; E381-R384 PolarHBondContact O-N 3.01Å; E381-R385 PolarHBondContact O-N 2.96Å
382	K	40.1	Very low	41	Very low	133 Å²	133	122.1 Å²	122.1	58%	0.578	61%	0.609	S	S	*	*	H	α-helix	trans	-66.4	-37	174.5	-89.4	-177.7	174.9	175.4	0	112.9	F378 R384 R385 V386	F378-K382 HydrophobicContact CD1-CD 4.43Å; F378-K382 HydrophobicContact CE1-CD 3.97Å; F378-K382 HydrophobicContact CE1-CG 4.34Å; F378-K382 PolarHBondContact O-N 2.85Å; F378-K382 VanDerWaalsContact O-N 3.09Å; K382-R384 VanDerWaalsContact C-N 3.27Å; K382-R384 PolarHBondContact O-N 3.07Å; K382-R385 PolarHBondContact O-N 2.87Å; K382-V386 PolarHBondContact O-N 3.43Å
383	S	36.5	Very low	40.2	Very low	84 Å²	84	122.1 Å²	122.1	59%	0.587	61%	0.613	S	S	*	*	H	α-helix	trans	-68.9	-24.1	176.8	-65	0	0	0	0	113.1	S379 Q380	S379-S383 PolarHBondContact O-N 3.04Å; S379-S383 PolarHBondContact O-OG 2.92Å; Q380-S383 PolarHBondContact O-N 3.09Å
384	R	41.4	Very low	39.6	Very low	144 Å²	144	121.2 Å²	121.2	54%	0.543	63%	0.625	S	S	.	*	H	α-helix	trans	-76.4	-41.3	171.6	-105.8	179.8	77.7	156.1	-0.1	112.6	D39 Q380 E381 K382 V386 K387	D39-R384 IonicContact OD2-NH1 3.49Å; D39-R384 PolarHBondContact OD2-NH1 2.95Å; Q380-R384 PolarHBondContact O-N 3.06Å; Q380-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 PolarHBondContact O-N 3.01Å; K382-R384 VanDerWaalsContact C-N 3.27Å; K382-R384 PolarHBondContact O-N 3.07Å; R384-V386 VanDerWaalsContact C-N 3.32Å; R384-V386 PolarHBondContact O-N 2.87Å; R384-K387 PolarHBondContact O-N 2.85Å; R384-K387 VanDerWaalsContact O-N 3.13Å
385	R	37.6	Very low	38.7	Very low	187 Å²	187	127.3 Å²	127.3	71%	0.706	66%	0.66	S	S	*	*	H	α-helix	trans	-64.5	-30.8	-180	-73.9	-174.3	-176.2	-174	1.2	114	E381 K382 K387	E381-R385 PolarHBondContact O-N 2.96Å; K382-R385 PolarHBondContact O-N 2.87Å; R385-K387 VanDerWaalsContact C-N 3.27Å; R385-K387 PolarHBondContact O-N 3.45Å
386	V	38.4	Very low	37.5	Very low	128 Å²	128	127.3 Å²	127.3	78%	0.776	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-14.2	177.4	-176.9	0	0	0	0	112.3	K382 R384	K382-V386 PolarHBondContact O-N 3.43Å; R384-V386 VanDerWaalsContact C-N 3.32Å; R384-V386 PolarHBondContact O-N 2.87Å
387	K	37	Very low	36.3	Very low	190 Å²	190	129.1 Å²	129.1	83%	0.826	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-3.1	-177.8	-111.5	179.6	178.7	179.3	0	115	R384 R385	R384-K387 PolarHBondContact O-N 2.85Å; R384-K387 VanDerWaalsContact O-N 3.13Å; R385-K387 VanDerWaalsContact C-N 3.27Å; R385-K387 PolarHBondContact O-N 3.45Å
388	E	38.6	Very low	35.2	Very low	156 Å²	156	131.5 Å²	131.5	73%	0.729	70%	0.702	S	S	*	*	S	Bend	trans	-114.5	11.7	-175.6	-82.9	-173.7	167	0	0	115.6
389	E	31.9	Very low	34.2	Very low	182 Å²	182	133 Å²	133	85%	0.85	72%	0.72	S	S	*	*	S	Bend	trans	-111.1	102.8	168.8	-74.1	-169	166.2	0	0	112.9
390	N	28.6	Very low	33.4	Very low	156 Å²	156	137 Å²	137	83%	0.834	73%	0.734	S	S	*	*			trans	80.3	118	151.8	-129.4	24.2	0	0	0	120.6
391	P	34.2	Very low	32.7	Very low	105 Å²	105	135.3 Å²	135.3	68%	0.682	74%	0.735	S	S	*	*			trans	-95	156	162.1	36.5	-27.5	0	0	0	112.3
392	E	28.6	Very low	32	Very low	179 Å²	179	138.3 Å²	138.3	84%	0.836	75%	0.75	S	S	*	*			trans	87.7	105.7	167	-52.6	-167.6	169.1	0	0	118.5
393	I	28.3	Very low	31.4	Very low	164 Å²	164	141.5 Å²	141.5	84%	0.841	77%	0.767	S	S	*	*				-170.8	127.8	98.8	-82.1	153	0	0	0	107.6
394	A	29.9	Very low	31	Very low	95 Å²	95	144 Å²	144	79%	0.785	77%	0.772	S	S	*	*			trans	-97	128.7	176.6	0	0	0	0	0	111
395	V	26.7	Very low	30.3	Very low	133 Å²	133	145.3 Å²	145.3	81%	0.806	78%	0.784	S	S	*	*			trans	-155.7	123.9	144	-147.9	0	0	0	0	112.4
396	S	24.5	Very low	29.7	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.781	S	S	*	*			trans	12.8	124.9	149.6	-41.3	0	0	0	0	123.8
397	A	26.2	Very low	29.1	Very low	92 Å²	92	142.8 Å²	142.8	76%	0.76	79%	0.787	S	S	*	*				46.1	134	127.1	0	0	0	0	0	123.3
398	S	25.2	Very low	28.5	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	78%	0.78	S	S	*	*			trans	88.2	120.1	149.9	69.7	0	0	0	0	119.5
399	T	25	Very low	28.1	Very low	132 Å²	132	136 Å²	136	81%	0.81	78%	0.776	S	S	*	*			trans	137.6	115	130.5	-50.4	0	0	0	0	113.5
400	I	30.1	Very low	27.9	Very low	153 Å²	153	135.4 Å²	135.4	79%	0.785	77%	0.773	S	S	*	*			trans	-68.9	142.6	161.6	-70.1	171	0	0	0	107.7
401	P	34.4	Very low	27.8	Very low	112 Å²	112	134.4 Å²	134.4	73%	0.727	77%	0.767	S	S	*	*				-155.4	158.9	80.9	36.7	-12.6	0	0	0	121.2
402	E	28.6	Very low	27.4	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.752	78%	0.776	S	S	*	*			trans	-2.9	144.6	150.9	-59.5	176.4	146.8	0	0	119.9
403	Q	27.2	Very low	27.4	Very low	201 Å²	201	136 Å²	136	94%	0.939	78%	0.78	S	S	*	*				-161.3	148	123.8	-106.9	167.2	9.8	0	0	113.8
404	I	29	Very low	27.3	Very low	136 Å²	136	131.6 Å²	131.6	70%	0.697	78%	0.775	S	S	*	*			trans	-102.6	174.3	-162.7	-70.4	164.4	0	0	0	110.4
405	Q	26.7	Very low	27.4	Very low	171 Å²	171	133.3 Å²	133.3	80%	0.799	78%	0.778	S	S	*	*			trans	104.8	99.7	157.7	-91.8	145.4	15.3	0	0	114.6
406	S	25.1	Very low	28.2	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	77%	0.774	S	S	*	*				72.3	127.1	68.2	78.9	0	0	0	0	113.8
407	L	25.3	Very low	28.3	Very low	170 Å²	170	135.6 Å²	135.6	89%	0.89	78%	0.783	S	S	*	*				-172.5	137.6	120.5	-96.1	154.2	0	0	0	110.4
408	S	24.9	Very low	28.5	Very low	98 Å²	98	135 Å²	135	69%	0.685	78%	0.778	S	S	*	*			trans	-97.1	176.1	-173	36.3	0	0	0	0	111.9
409	V	29.6	Very low	28.7	Very low	105 Å²	105	137.1 Å²	137.1	64%	0.636	78%	0.781	S	S	*	*				133.5	125.5	124.5	-175.8	0	0	0	0	117.6
410	H	28.4	Very low	29	Very low	169 Å²	169	139.2 Å²	139.2	78%	0.782	78%	0.781	S	S	*	*			trans	58.5	128.4	152.4	-60.4	-37.7	0	0	0	121.1
411	D	26.2	Very low	29.3	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	78%	0.782	S	S	*	*			cis	80.1	120.8	42.1	-155.1	18.2	0	0	0	114.6
412	S	25.7	Very low	29	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	79%	0.787	S	S	*	*			trans	-175.6	133.4	160.9	-76.2	0	0	0	0	112.7
413	Q	27.9	Very low	29.3	Very low	194 Å²	194	147 Å²	147	91%	0.907	79%	0.792	S	S	*	*			trans	-91	161.1	-172.5	-62.8	172.8	-26.3	0	0	115.1
414	G	26.3	Very low	29.6	Very low	71 Å²	71	146.2 Å²	146.2	73%	0.732	79%	0.789	S	S	*	*			trans	-178.2	144.9	155.7	0	0	0	0	0	113.4
415	P	33.1	Very low	30	Very low	131 Å²	131	144 Å²	144	85%	0.851	79%	0.791	S	S	*	*			trans	-118.4	-157	-144.8	44.7	-30	0	0	0	114.8
416	P	42	Very low	30.7	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	79%	0.792	S	S	*	*				-102.9	156	-111.4	34.9	-16.6	0	0	0	114.5
417	N	28.1	Very low	32	Very low	175 Å²	175	139.9 Å²	139.9	94%	0.936	78%	0.781	S	S	*	*			trans	-144.6	141.7	159.8	-108.2	-13.7	0	0	0	111.4
418	A	30.5	Very low	33.9	Very low	80 Å²	80	137.1 Å²	137.1	66%	0.661	77%	0.774	S	S	*	*			trans	-81.8	162.6	-157.5	0	0	0	0	0	115.4
419	N	28.8	Very low	36.3	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	75%	0.752	S	S	*	*			trans	76.6	125.6	171.3	-51.8	-16.1	0	0	0	113.6
420	E	31.8	Very low	38.8	Very low	175 Å²	175	129.4 Å²	129.4	82%	0.818	73%	0.726	S	S	*	*			cis	-145.5	145	27.8	-71.4	176.5	145.9	0	0	111.3	Y422	E420-Y422 PolarHBondContact O-N 2.91Å; E420-Y422 VanDerWaalsContact O-N 3.16Å
421	D	34.7	Very low	41.4	Very low	151 Å²	151	124.9 Å²	124.9	81%	0.807	71%	0.708	S	S	*	*			trans	-61.9	105.5	164.1	-87.8	-48.2	0	0	0	110.7
422	Y	30.2	Very low	44.2	Very low	209 Å²	209	118.6 Å²	118.6	82%	0.82	67%	0.674	S	S	*	*			trans	-136.3	93.2	148.3	-91.8	-86	0	0	0	108	E420 E424	E420-Y422 PolarHBondContact O-N 2.91Å; E420-Y422 VanDerWaalsContact O-N 3.16Å; Y422-E424 PolarHBondContact O-N 2.86Å; Y422-E424 VanDerWaalsContact O-N 3.12Å
423	R	33	Very low	47.1	Very low	230 Å²	230	113.4 Å²	113.4	87%	0.868	64%	0.637	S	S	*	*			trans	-69.3	100.9	161.2	-72.2	-176	177.8	-176.2	-0.8	107.4	A425	R423-A425 PolarHBondContact O-N 3.47Å
424	E	35.1	Very low	50	Low	185 Å²	185	104.2 Å²	104.2	86%	0.864	59%	0.594	S	S	*	*			trans	-62.5	90.3	154.5	-85	-178.7	151.5	0	0	107.6	Y422 S426	Y422-E424 PolarHBondContact O-N 2.86Å; Y422-E424 VanDerWaalsContact O-N 3.12Å; E424-S426 PolarHBondContact O-N 3.45Å; E424-S426 VanDerWaalsContact O-N 3.13Å
425	A	37.8	Very low	53	Low	89 Å²	89	105.3 Å²	105.3	74%	0.736	58%	0.576	S	S	*	*			trans	-67.5	103.8	159	0	0	0	0	0	106.2	R423 S427	R423-A425 PolarHBondContact O-N 3.47Å; A425-S427 PolarHBondContact O-N 3.28Å
426	S	41.4	Very low	55.7	Low	120 Å²	120	99.5 Å²	99.5	84%	0.839	54%	0.538	S	S	*	.			trans	-53.6	105.5	167.8	-50.9	0	0	0	0	108.3	E424 C428	E424-S426 PolarHBondContact O-N 3.45Å; E424-S426 VanDerWaalsContact O-N 3.13Å; S426-C428 PolarHBondContact O-N 2.79Å; S426-C428 VanDerWaalsContact O-N 3.12Å
427	S	51.9	Low	57.7	Low	58 Å²	58	97.8 Å²	97.8	41%	0.406	52%	0.516	S	S	.	.			trans	-72.5	105.3	179.3	50.4	0	0	0	0	108.4	A425 A429 P452	A425-S427 PolarHBondContact O-N 3.28Å; S427-A429 PolarHBondContact O-N 2.8Å; S427-P452 VanDerWaalsContact CB-O 3.26Å; S427-P452 WeakPolarHBondContact CB-O 3.32Å; S427-P452 PolarHBondContact OG-O 3.47Å
428	C	64.2	Low	60	Low	111 Å²	111	90.9 Å²	90.9	75%	0.75	48%	0.48	S	S	*	.			trans	-61.9	127.8	171.7	-169.2	0	0	0	0	108.2	S426	S426-C428 PolarHBondContact O-N 2.79Å; S426-C428 VanDerWaalsContact O-N 3.12Å
429	A	75.9	Confident	61.9	Low	26 Å²	26	93 Å²	93	22%	0.215	49%	0.489	C	S	.	.			trans	-62	146.5	175.7	0	0	0	0	0	110.9	S427 E449 F450	S427-A429 PolarHBondContact O-N 2.8Å; A429-E449 VanDerWaalsContact CB-CD 3.48Å; A429-E449 HydrophobicContact CB-CG 3.54Å; A429-E449 WeakPolarHBondContact CB-OE1 3.44Å; A429-F450 CarbonylContact C-O 3.5Å; A429-F450 WeakPolarHBondContact CA-O 3.46Å
430	V	81.4	Confident	64	Low	16 Å²	16	92.5 Å²	92.5	10%	0.097	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.5	-175.8	-173.3	0	0	0	0	108.4	L432 F450 P489 V522	V430-L432 HydrophobicContact CG1-CD2 3.81Å; V430-L432 HydrophobicContact CG1-CG 4.02Å; V430-F450 PolarHBondContact N-O 2.85Å; V430-F450 PolarHBondContact O-N 3.32Å; V430-P489 HydrophobicContact CG1-CB 4.2Å; V430-V522 HydrophobicContact CG1-CG1 3.96Å; V430-V522 HydrophobicContact CG1-CG2 4.43Å
431	N	83.3	Confident	66.1	Low	74 Å²	74	87.8 Å²	87.8	40%	0.396	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.8	174.5	-67.2	-55.1	0	0	0	109.7	V522 S523	N431-V522 WeakPolarHBondContact O-CA 3.47Å; N431-S523 PolarHBondContact O-N 3.16Å
432	L	85.2	Confident	68.2	Low	2 Å²	2	85.6 Å²	85.6	1%	0.01	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.7	-174.7	-65.2	174	0	0	0	111.1	V430 R447 F448 F450 L482 I485 V486 L520 S521 V522	V430-L432 HydrophobicContact CG1-CD2 3.81Å; V430-L432 HydrophobicContact CG1-CG 4.02Å; L432-R447 CarbonylContact O-C 3.57Å; L432-R447 WeakPolarHBondContact O-CA 3.32Å; L432-F448 HydrophobicContact CB-CD2 4.3Å; L432-F448 HydrophobicContact CB-CE1 4.17Å; L432-F448 HydrophobicContact CB-CE2 3.89Å; L432-F448 HydrophobicContact CB-CZ 3.82Å; L432-F448 HydrophobicContact CD1-CE2 3.77Å; L432-F448 HydrophobicContact CD1-CZ 4.12Å; L432-F448 HydrophobicContact CG-CE2 4.46Å; L432-F448 PolarHBondContact N-O 3.11Å; L432-F448 PolarHBondContact O-N 2.8Å; L432-F450 HydrophobicContact CD1-CB 3.87Å; L432-L482 HydrophobicContact CD1-CD1 3.28Å; L432-I485 HydrophobicContact CD1-CG2 4.12Å; L432-I485 HydrophobicContact CD2-CD1 4.33Å; L432-I485 HydrophobicContact CD2-CG2 3.74Å; L432-V486 HydrophobicContact CD1-CG2 3.98Å; L432-L520 HydrophobicContact CB-CD1 4.36Å; L432-S521 CarbonylContact C-O 3.56Å; L432-S521 WeakPolarHBondContact CA-O 3.36Å; L432-V522 HydrophobicContact CD2-CB 4.41Å; L432-V522 HydrophobicContact CD2-CG2 3.84Å
433	V	86.5	Confident	70.6	Confident	16 Å²	16	79.5 Å²	79.5	10%	0.097	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.6	172.4	-168.2	0	0	0	0	108.8	D445 I446 R447 L520 S521	V433-D445 HydrophobicContact CG1-CB 3.97Å; V433-I446 CarbonylContact C-O 3.55Å; V433-I446 WeakPolarHBondContact CA-O 3.26Å; V433-R447 HydrophobicContact CG1-CG 4.19Å; V433-R447 HydrophobicContact CG2-CG 4.02Å; V433-L520 CarbonylContact O-C 3.57Å; V433-L520 WeakPolarHBondContact O-CA 3.42Å; V433-S521 PolarHBondContact N-O 2.92Å; V433-S521 PolarHBondContact O-N 3.26Å; V433-S521 PolarHBondContact O-OG 3.12Å
434	L	88.4	Confident	72.5	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.3	169.9	179	67.5	0	0	0	109.2	L436 I446 F448 L464 V470 V478 F497 A518 L520	L434-L436 HydrophobicContact CD2-CD2 3.85Å; L434-L436 HydrophobicContact CG-CD2 3.74Å; L434-I446 HydrophobicContact CB-CB 4.42Å; L434-I446 HydrophobicContact CD2-CD1 4.33Å; L434-I446 PolarHBondContact N-O 3.27Å; L434-I446 PolarHBondContact O-N 3.49Å; L434-F448 HydrophobicContact CB-CE1 3.87Å; L434-L464 HydrophobicContact CD2-CD1 3.98Å; L434-V470 HydrophobicContact CD2-CG2 3.96Å; L434-V478 HydrophobicContact CD2-CG1 4.15Å; L434-F497 HydrophobicContact CD1-CE1 4.38Å; L434-F497 HydrophobicContact CD1-CZ 4.06Å; L434-A518 HydrophobicContact CD1-CB 4.19Å; L434-L520 HydrophobicContact CB-CD1 3.88Å; L434-L520 HydrophobicContact CD1-CB 4.43Å; L434-L520 HydrophobicContact CD1-CD1 4.11Å
435	R	90.1	Very high	74.7	Confident	94 Å²	94	62 Å²	62	36%	0.355	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.8	175.9	178.8	175.5	-77.7	172.6	-2.3	110.2	L443 N444 D445 L514 A518 Q519	R435-L443 HydrophobicContact CG-CD2 4.22Å; R435-N444 VanDerWaalsContact CA-O 3.26Å; R435-N444 WeakPolarHBondContact CA-O 3.33Å; R435-D445 WeakPolarHBondContact CB-OD1 3.49Å; R435-D445 WeakPolarHBondContact CD-OD1 3.47Å; R435-D445 WeakPolarHBondContact CG-OD1 3.35Å; R435-D445 IonicContact CZ-OD1 2.87Å; R435-D445 IonicContact CZ-OD2 2.98Å; R435-D445 IonicContact NE-OD1 3.62Å; R435-D445 PolarHBondContact NE-OD1 3.18Å; R435-D445 IonicContact NE-OD2 3.12Å; R435-D445 PolarHBondContact NE-OD2 3.02Å; R435-D445 IonicContact NH2-OD1 2.72Å; R435-D445 PolarHBondContact NH2-OD1 2.75Å; R435-D445 IonicContact NH2-OD2 2.69Å; R435-D445 PolarHBondContact NH2-OD2 3.4Å; R435-L514 HydrophobicContact CB-CD1 4.31Å; R435-L514 HydrophobicContact CG-CD1 3.57Å; R435-A518 CarbonylContact O-C 3.59Å; R435-A518 WeakPolarHBondContact O-CA 3.33Å; R435-Q519 HydrophobicContact CB-CB 4.41Å; R435-Q519 PolarHBondContact N-O 3.32Å; R435-Q519 PolarHBondContact O-N 3.24Å
436	L	89.3	Confident	76.8	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.1	175.4	71.1	155	0	0	0	111.6	L434 N444 I446 A518	L434-L436 HydrophobicContact CD2-CD2 3.85Å; L434-L436 HydrophobicContact CG-CD2 3.74Å; L436-N444 PolarHBondContact N-O 3.43Å; L436-N444 PolarHBondContact O-N 2.9Å; L436-I446 HydrophobicContact CD2-CD1 3.61Å; L436-A518 HydrophobicContact CB-CB 3.8Å
437	R	83.6	Confident	78.6	Confident	77 Å²	77	56.8 Å²	56.8	29%	0.291	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.1	172.9	-71.2	-176.1	-176.8	-88.9	-4.4	111.1	K441 E442 L443 K513 L514	R437-K441 PolarHBondContact NH1-O 3.46Å; R437-E442 CarbonylContact C-O 3.53Å; R437-E442 WeakPolarHBondContact CA-O 3.49Å; R437-L443 HydrophobicContact CG-CD2 3.83Å; R437-L443 HydrophobicContact CG-CG 4.29Å; R437-K513 VanDerWaalsContact CZ-O 3.31Å; R437-K513 PolarHBondContact NE-O 3.02Å; R437-K513 PolarHBondContact NH2-O 2.81Å; R437-L514 WeakPolarHBondContact CD-O 3.32Å; R437-L514 WeakPolarHBondContact CG-O 3.24Å; R437-L514 PolarHBondContact NE-O 2.84Å
438	N	77.4	Confident	79.9	Confident	30 Å²	30	54.1 Å²	54.1	16%	0.16	27%	0.273	C	S	.	.			trans	-77.4	177.6	172.6	69.6	18.9	0	0	0	111.6	R440 K441 E442 N444	N438-R440 PolarHBondContact O-N 2.74Å; N438-R440 VanDerWaalsContact OD1-C 3.27Å; N438-R440 VanDerWaalsContact OD1-CA 3.23Å; N438-R440 WeakPolarHBondContact OD1-CA 3.19Å; N438-R440 VanDerWaalsContact OD1-CB 3.28Å; N438-R440 WeakPolarHBondContact OD1-CB 3.4Å; N438-R440 PolarHBondContact OD1-N 2.96Å; N438-K441 WeakPolarHBondContact O-CA 3.26Å; N438-K441 PolarHBondContact O-N 3.49Å; N438-K441 PolarHBondContact OD1-N 3.34Å; N438-K441 VanDerWaalsContact OD1-N 3.1Å; N438-E442 PolarHBondContact N-O 2.83Å; N438-E442 PolarHBondContact ND2-OE2 3.12Å; N438-E442 PolarHBondContact OD1-N 2.92Å; N438-N444 PolarHBondContact ND2-ND2 2.58Å; N438-N444 PolarHBondContact ND2-OD1 3.28Å
439	S	70.8	Confident	80.7	Confident	124 Å²	124	53 Å²	53	87%	0.867	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	176.8	57.6	0	0	0	0	114.6
440	R	71.3	Confident	81	Confident	146 Å²	146	52 Å²	52	55%	0.551	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	6.3	172.9	-54.2	-177.6	-175.1	-179.2	3.9	113	N438 E442	N438-R440 PolarHBondContact O-N 2.74Å; N438-R440 VanDerWaalsContact OD1-C 3.27Å; N438-R440 VanDerWaalsContact OD1-CA 3.23Å; N438-R440 WeakPolarHBondContact OD1-CA 3.19Å; N438-R440 VanDerWaalsContact OD1-CB 3.28Å; N438-R440 WeakPolarHBondContact OD1-CB 3.4Å; N438-R440 PolarHBondContact OD1-N 2.96Å; R440-E442 HydrophobicContact CB-CG 4.39Å; R440-E442 PolarHBondContact O-N 2.86Å
441	K	77.3	Confident	81	Confident	76 Å²	76	52.5 Å²	52.5	33%	0.33	25%	0.251	S	S	.	.	S	Bend	trans	66.8	18.8	-179.9	-46.7	-177.1	174.7	-147.9	0	113.7	R437 N438 D504 E507	R437-K441 PolarHBondContact NH1-O 3.46Å; N438-K441 WeakPolarHBondContact O-CA 3.26Å; N438-K441 PolarHBondContact O-N 3.49Å; N438-K441 PolarHBondContact OD1-N 3.34Å; N438-K441 VanDerWaalsContact OD1-N 3.1Å; K441-D504 WeakPolarHBondContact CE-OD2 3.26Å; K441-D504 IonicContact NZ-OD2 2.74Å; K441-D504 PolarHBondContact NZ-OD2 3.46Å; K441-E507 VanDerWaalsContact CD-OE1 3.31Å; K441-E507 WeakPolarHBondContact CD-OE1 3.21Å; K441-E507 IonicContact NZ-OE1 2.73Å; K441-E507 PolarHBondContact NZ-OE1 3.03Å; K441-E507 IonicContact NZ-OE2 3.07Å; K441-E507 PolarHBondContact NZ-OE2 2.84Å
442	E	78	Confident	80.7	Confident	105 Å²	105	50.9 Å²	50.9	49%	0.491	24%	0.244	S	C	.	.			trans	-90.5	143.1	175	-61.4	167.6	148	0	0	109.6	R437 N438 R440	R437-E442 CarbonylContact C-O 3.53Å; R437-E442 WeakPolarHBondContact CA-O 3.49Å; N438-E442 PolarHBondContact N-O 2.83Å; N438-E442 PolarHBondContact ND2-OE2 3.12Å; N438-E442 PolarHBondContact OD1-N 2.92Å; R440-E442 HydrophobicContact CB-CG 4.39Å; R440-E442 PolarHBondContact O-N 2.86Å
443	L	80	Confident	80.1	Confident	80 Å²	80	55.1 Å²	55.1	42%	0.419	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.1	174.1	-77.3	168.4	0	0	0	109.5	R435 R437 L514	R435-L443 HydrophobicContact CG-CD2 4.22Å; R437-L443 HydrophobicContact CG-CD2 3.83Å; R437-L443 HydrophobicContact CG-CG 4.29Å; L443-L514 HydrophobicContact CD2-CB 3.98Å; L443-L514 HydrophobicContact CD2-CD1 3.94Å
444	N	74.3	Confident	79.6	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.3	178.7	-79.2	4.1	0	0	0	110.1	G347 R435 L436 N438	G347-N444 VanDerWaalsContact CA-ND2 3.28Å; G347-N444 WeakPolarHBondContact CA-ND2 3.24Å; G347-N444 PolarHBondContact O-ND2 2.85Å; R435-N444 VanDerWaalsContact CA-O 3.26Å; R435-N444 WeakPolarHBondContact CA-O 3.33Å; L436-N444 PolarHBondContact N-O 3.43Å; L436-N444 PolarHBondContact O-N 2.9Å; N438-N444 PolarHBondContact ND2-ND2 2.58Å; N438-N444 PolarHBondContact ND2-OD1 3.28Å
445	D	81.4	Confident	79.1	Confident	32 Å²	32	62.2 Å²	62.2	17%	0.171	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.9	172	-67.3	-5.6	0	0	0	109.2	V433 R435	V433-D445 HydrophobicContact CG1-CB 3.97Å; R435-D445 WeakPolarHBondContact CB-OD1 3.49Å; R435-D445 WeakPolarHBondContact CD-OD1 3.47Å; R435-D445 WeakPolarHBondContact CG-OD1 3.35Å; R435-D445 IonicContact CZ-OD1 2.87Å; R435-D445 IonicContact CZ-OD2 2.98Å; R435-D445 IonicContact NE-OD1 3.62Å; R435-D445 PolarHBondContact NE-OD1 3.18Å; R435-D445 IonicContact NE-OD2 3.12Å; R435-D445 PolarHBondContact NE-OD2 3.02Å; R435-D445 IonicContact NH2-OD1 2.72Å; R435-D445 PolarHBondContact NH2-OD1 2.75Å; R435-D445 IonicContact NH2-OD2 2.69Å; R435-D445 PolarHBondContact NH2-OD2 3.4Å
446	I	80.4	Confident	78.9	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.1	176.7	-55.4	160.3	0	0	0	107	V433 L434 L436 F448 L464 L469	V433-I446 CarbonylContact C-O 3.55Å; V433-I446 WeakPolarHBondContact CA-O 3.26Å; L434-I446 HydrophobicContact CB-CB 4.42Å; L434-I446 HydrophobicContact CD2-CD1 4.33Å; L434-I446 PolarHBondContact N-O 3.27Å; L434-I446 PolarHBondContact O-N 3.49Å; L436-I446 HydrophobicContact CD2-CD1 3.61Å; I446-F448 HydrophobicContact CG2-CD1 4.24Å; I446-L464 HydrophobicContact CG2-CD2 3.86Å; I446-L469 HydrophobicContact CD1-CB 3.73Å; I446-L469 HydrophobicContact CD1-CD1 4.28Å; I446-L469 HydrophobicContact CD1-CG 4.43Å; I446-L469 HydrophobicContact CG1-CD1 4.46Å; I446-L469 HydrophobicContact CG2-CD1 4.12Å
447	R	79.8	Confident	78.7	Confident	90 Å²	90	61.5 Å²	61.5	34%	0.34	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.5	177.7	-63.3	-174.5	-105.4	-103.5	5.5	109.8	G350 H351 L352 D365 L432 V433	G350-R447 PolarHBondContact O-N 3.48Å; H351-R447 WeakPolarHBondContact CA-O 3Å; H351-R447 PolarHBondContact ND1-O 3.34Å; H351-R447 VanDerWaalsContact ND1-O 3.12Å; L352-R447 PolarHBondContact N-O 3.06Å; D365-R447 IonicContact OD1-NH2 2.8Å; D365-R447 IonicContact OD2-CZ 3.5Å; D365-R447 IonicContact OD2-NH2 3.5Å; D365-R447 PolarHBondContact OD2-NH2 3.36Å; L432-R447 CarbonylContact O-C 3.57Å; L432-R447 WeakPolarHBondContact O-CA 3.32Å; V433-R447 HydrophobicContact CG1-CG 4.19Å; V433-R447 HydrophobicContact CG2-CG 4.02Å
448	F	79.4	Confident	78.6	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.009	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	155.4	177.9	60.2	-83.9	0	0	0	111.4	L352 L432 L434 I446 V460 L482 L520	L352-F448 HydrophobicContact CB-CB 4.1Å; L432-F448 HydrophobicContact CB-CD2 4.3Å; L432-F448 HydrophobicContact CB-CE1 4.17Å; L432-F448 HydrophobicContact CB-CE2 3.89Å; L432-F448 HydrophobicContact CB-CZ 3.82Å; L432-F448 HydrophobicContact CD1-CE2 3.77Å; L432-F448 HydrophobicContact CD1-CZ 4.12Å; L432-F448 HydrophobicContact CG-CE2 4.46Å; L432-F448 PolarHBondContact N-O 3.11Å; L432-F448 PolarHBondContact O-N 2.8Å; L434-F448 HydrophobicContact CB-CE1 3.87Å; I446-F448 HydrophobicContact CG2-CD1 4.24Å; F448-V460 HydrophobicContact CD2-CG1 3.93Å; F448-V460 HydrophobicContact CE2-CG1 3.73Å; F448-V460 HydrophobicContact CZ-CG1 4.43Å; F448-L482 HydrophobicContact CE2-CD1 3.87Å; F448-L482 HydrophobicContact CE2-CD2 4.26Å; F448-L482 HydrophobicContact CZ-CD1 3.96Å; F448-L482 HydrophobicContact CZ-CD2 4.5Å; F448-L520 HydrophobicContact CE1-CD1 4.35Å; F448-L520 HydrophobicContact CZ-CD1 4.05Å
449	E	81.6	Confident	78.5	Confident	89 Å²	89	63 Å²	63	42%	0.416	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.3	176.4	-174.3	177	-132.6	0	0	109.9	A429	A429-E449 VanDerWaalsContact CB-CD 3.48Å; A429-E449 HydrophobicContact CB-CG 3.54Å; A429-E449 WeakPolarHBondContact CB-OE1 3.44Å
450	F	81.6	Confident	78.9	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.6	175.3	-172.1	-76.5	0	0	0	110	A429 V430 L432 P452 D455 V460 L482 V486	A429-F450 CarbonylContact C-O 3.5Å; A429-F450 WeakPolarHBondContact CA-O 3.46Å; V430-F450 PolarHBondContact N-O 2.85Å; V430-F450 PolarHBondContact O-N 3.32Å; L432-F450 HydrophobicContact CD1-CB 3.87Å; F450-P452 HydrophobicContact CD1-CG 4.31Å; F450-P452 HydrophobicContact CE1-CG 4.4Å; F450-P452 WeakPolarHBondContact O-CD 3.29Å; F450-D455 HydrophobicContact CD1-CB 4.39Å; F450-D455 HydrophobicContact CD2-CB 3.97Å; F450-D455 HydrophobicContact CE1-CB 4.14Å; F450-D455 HydrophobicContact CE2-CB 3.74Å; F450-D455 HydrophobicContact CG-CB 4.29Å; F450-D455 HydrophobicContact CZ-CB 3.83Å; F450-D455 VanDerWaalsContact CZ-O 3.24Å; F450-D455 WeakPolarHBondContact CZ-O 3.35Å; F450-V460 HydrophobicContact CD2-CG2 3.92Å; F450-V460 HydrophobicContact CE2-CG2 4.01Å; F450-L482 HydrophobicContact CD2-CD1 4.36Å; F450-L482 HydrophobicContact CD2-CD2 4.28Å; F450-L482 HydrophobicContact CD2-CG 4.42Å; F450-L482 HydrophobicContact CE2-CD2 4.35Å; F450-L482 HydrophobicContact CE2-CG 4.49Å; F450-V486 HydrophobicContact CB-CG2 4.33Å; F450-V486 HydrophobicContact CD1-CB 4.25Å; F450-V486 HydrophobicContact CD1-CG1 3.52Å; F450-V486 HydrophobicContact CD1-CG2 3.64Å; F450-V486 HydrophobicContact CD2-CG2 4.15Å; F450-V486 HydrophobicContact CE1-CB 4.23Å; F450-V486 HydrophobicContact CE1-CG1 3.31Å; F450-V486 HydrophobicContact CE1-CG2 3.99Å; F450-V486 HydrophobicContact CE2-CG2 4.42Å; F450-V486 HydrophobicContact CG-CG1 4.45Å; F450-V486 HydrophobicContact CG-CG2 3.75Å; F450-V486 HydrophobicContact CZ-CG1 4.07Å; F450-V486 HydrophobicContact CZ-CG2 4.35Å
451	T	81.4	Confident	79.4	Confident	27 Å²	27	50.3 Å²	50.3	17%	0.166	28%	0.275	C	S	.	.			trans	-106.1	105.8	179	-53.7	0	0	0	0	110.4	G453 R454 D455	T451-G453 PolarHBondContact O-N 2.9Å; T451-R454 HydrophobicContact CG2-CB 4Å; T451-R454 PolarHBondContact O-N 2.75Å; T451-D455 WeakPolarHBondContact CA-OD2 3.41Å; T451-D455 WeakPolarHBondContact CB-OD2 3.49Å; T451-D455 PolarHBondContact N-OD2 2.98Å; T451-D455 PolarHBondContact O-N 3.18Å
452	P	77.6	Confident	79.3	Confident	40 Å²	40	51 Å²	51	26%	0.26	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-56.1	130.9	178.5	-23.4	32.6	0	0	0	112.1	S427 F450 R454 V486	S427-P452 VanDerWaalsContact CB-O 3.26Å; S427-P452 WeakPolarHBondContact CB-O 3.32Å; S427-P452 PolarHBondContact OG-O 3.47Å; F450-P452 HydrophobicContact CD1-CG 4.31Å; F450-P452 HydrophobicContact CE1-CG 4.4Å; F450-P452 WeakPolarHBondContact O-CD 3.29Å; P452-R454 VanDerWaalsContact C-N 3.31Å; P452-R454 PolarHBondContact O-N 3.42Å; P452-V486 HydrophobicContact CG-CG1 4.22Å
453	G	72.8	Confident	79.2	Confident	91 Å²	91	49.8 Å²	49.8	94%	0.938	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-18.7	-178	0	0	0	0	0	115	T451	T451-G453 PolarHBondContact O-N 2.9Å
454	R	74.8	Confident	79	Confident	152 Å²	152	46 Å²	46	57%	0.574	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-36.3	170	-173.6	-176.2	-175.7	-163.2	1.5	111.8	T451 P452	T451-R454 HydrophobicContact CG2-CB 4Å; T451-R454 PolarHBondContact O-N 2.75Å; P452-R454 VanDerWaalsContact C-N 3.31Å; P452-R454 PolarHBondContact O-N 3.42Å
455	D	77.9	Confident	79.2	Confident	15 Å²	15	49.3 Å²	49.3	8%	0.08	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-106.7	145.9	-179.2	-59.8	-46	0	0	0	110.9	K354 F450 T451 V460	K354-D455 IonicContact NZ-OD1 2.58Å; K354-D455 PolarHBondContact NZ-OD1 2.89Å; F450-D455 HydrophobicContact CD1-CB 4.39Å; F450-D455 HydrophobicContact CD2-CB 3.97Å; F450-D455 HydrophobicContact CE1-CB 4.14Å; F450-D455 HydrophobicContact CE2-CB 3.74Å; F450-D455 HydrophobicContact CG-CB 4.29Å; F450-D455 HydrophobicContact CZ-CB 3.83Å; F450-D455 VanDerWaalsContact CZ-O 3.24Å; F450-D455 WeakPolarHBondContact CZ-O 3.35Å; T451-D455 WeakPolarHBondContact CA-OD2 3.41Å; T451-D455 WeakPolarHBondContact CB-OD2 3.49Å; T451-D455 PolarHBondContact N-OD2 2.98Å; T451-D455 PolarHBondContact O-N 3.18Å; D455-V460 HydrophobicContact CB-CG2 4.17Å
456	T	86.5	Confident	78.4	Confident	87 Å²	87	51.6 Å²	51.6	53%	0.534	29%	0.286	S	S	.	.			trans	-113.7	143.6	170	61.8	0	0	0	0	108.9	D458 G459 V460	T456-D458 VanDerWaalsContact C-N 3.25Å; T456-D458 PolarHBondContact O-N 3.35Å; T456-G459 PolarHBondContact O-N 3.31Å; T456-G459 VanDerWaalsContact O-N 3.1Å; T456-G459 PolarHBondContact OG1-N 3.03Å; T456-G459 VanDerWaalsContact OG1-N 3.1Å; T456-V460 PolarHBondContact O-N 3.41Å
457	A	84.4	Confident	77.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-36.8	179.9	0	0	0	0	0	112.1	S461 A479 L482 Q483	A457-S461 VanDerWaalsContact O-CB 3.28Å; A457-S461 WeakPolarHBondContact O-CB 3.27Å; A457-S461 PolarHBondContact O-N 2.92Å; A457-A479 WeakPolarHBondContact CB-O 3.41Å; A457-L482 HydrophobicContact CB-CB 4.11Å; A457-L482 HydrophobicContact CB-CD2 4.12Å; A457-L482 HydrophobicContact CB-CG 3.96Å; A457-Q483 HydrophobicContact CB-CB 3.8Å; A457-Q483 VanDerWaalsContact CB-OE1 3.31Å
458	D	81.9	Confident	77.1	Confident	111 Å²	111	51.2 Å²	51.2	59%	0.594	31%	0.308	S	S	*	.	H	α-helix	trans	-62.6	-43.9	172	-65.1	-79	0	0	0	112.2	T456 S461 Q462	T456-D458 VanDerWaalsContact C-N 3.25Å; T456-D458 PolarHBondContact O-N 3.35Å; D458-S461 PolarHBondContact O-N 2.93Å; D458-Q462 VanDerWaalsContact O-CB 3.29Å; D458-Q462 WeakPolarHBondContact O-CB 3.34Å; D458-Q462 PolarHBondContact O-N 2.74Å
459	G	76.2	Confident	76.8	Confident	29 Å²	29	52.4 Å²	52.4	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-51.3	177.8	0	0	0	0	0	111.5	T456 S461 Q462 E463	T456-G459 PolarHBondContact O-N 3.31Å; T456-G459 VanDerWaalsContact O-N 3.1Å; T456-G459 PolarHBondContact OG1-N 3.03Å; T456-G459 VanDerWaalsContact OG1-N 3.1Å; G459-S461 VanDerWaalsContact C-N 3.34Å; G459-S461 PolarHBondContact O-N 3.47Å; G459-Q462 PolarHBondContact O-N 3.49Å; G459-E463 VanDerWaalsContact O-CG 3.32Å; G459-E463 WeakPolarHBondContact O-CG 3.39Å; G459-E463 PolarHBondContact O-N 2.69Å
460	V	78.9	Confident	76.8	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-41.5	179	175.6	0	0	0	0	111.6	W360 F448 F450 D455 T456 Q462 E463 L464 L482	W360-V460 HydrophobicContact CH2-CG2 4.44Å; W360-V460 HydrophobicContact CZ2-CG2 4.05Å; F448-V460 HydrophobicContact CD2-CG1 3.93Å; F448-V460 HydrophobicContact CE2-CG1 3.73Å; F448-V460 HydrophobicContact CZ-CG1 4.43Å; F450-V460 HydrophobicContact CD2-CG2 3.92Å; F450-V460 HydrophobicContact CE2-CG2 4.01Å; D455-V460 HydrophobicContact CB-CG2 4.17Å; T456-V460 PolarHBondContact O-N 3.41Å; V460-Q462 PolarHBondContact O-N 3.24Å; V460-E463 PolarHBondContact O-N 3.48Å; V460-L464 HydrophobicContact CG1-CD1 4.34Å; V460-L464 WeakPolarHBondContact O-CG 3.27Å; V460-L464 PolarHBondContact O-N 3.37Å; V460-L482 HydrophobicContact CB-CD2 3.76Å; V460-L482 HydrophobicContact CG1-CD2 3.71Å
461	S	80.8	Confident	76.8	Confident	0 Å²	0	52 Å²	52	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-39.8	177	-167	0	0	0	0	112.7	A457 D458 G459 E463 L464 F465 V475 A479	A457-S461 VanDerWaalsContact O-CB 3.28Å; A457-S461 WeakPolarHBondContact O-CB 3.27Å; A457-S461 PolarHBondContact O-N 2.92Å; D458-S461 PolarHBondContact O-N 2.93Å; G459-S461 VanDerWaalsContact C-N 3.34Å; G459-S461 PolarHBondContact O-N 3.47Å; S461-E463 VanDerWaalsContact C-N 3.31Å; S461-E463 PolarHBondContact O-N 3.48Å; S461-L464 PolarHBondContact O-N 2.97Å; S461-F465 PolarHBondContact O-N 3.09Å; S461-V475 WeakPolarHBondContact OG-CA 3.39Å; S461-V475 PolarHBondContact OG-O 2.74Å; S461-A479 PolarHBondContact OG-N 3.43Å
462	Q	75.3	Confident	76.8	Confident	90 Å²	90	52.6 Å²	52.6	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-35	176.7	-169.4	64.3	31.2	0	0	112.1	D458 G459 V460 F465 S466	D458-Q462 VanDerWaalsContact O-CB 3.29Å; D458-Q462 WeakPolarHBondContact O-CB 3.34Å; D458-Q462 PolarHBondContact O-N 2.74Å; G459-Q462 PolarHBondContact O-N 3.49Å; V460-Q462 PolarHBondContact O-N 3.24Å; Q462-F465 PolarHBondContact O-N 2.85Å; Q462-S466 WeakPolarHBondContact O-CB 3.37Å; Q462-S466 PolarHBondContact O-N 2.75Å; Q462-S466 PolarHBondContact O-OG 2.82Å
463	E	76.4	Confident	77.3	Confident	80 Å²	80	57.4 Å²	57.4	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-70.2	-41.8	174.6	-68.1	-60.6	154	0	0	111.8	G459 V460 S461 F465 S466 A467	G459-E463 VanDerWaalsContact O-CG 3.32Å; G459-E463 WeakPolarHBondContact O-CG 3.39Å; G459-E463 PolarHBondContact O-N 2.69Å; V460-E463 PolarHBondContact O-N 3.48Å; S461-E463 VanDerWaalsContact C-N 3.31Å; S461-E463 PolarHBondContact O-N 3.48Å; E463-F465 VanDerWaalsContact C-N 3.25Å; E463-F465 PolarHBondContact O-N 3.36Å; E463-S466 PolarHBondContact O-N 2.68Å; E463-S466 VanDerWaalsContact O-N 3.11Å; E463-A467 WeakPolarHBondContact O-CB 3.43Å; E463-A467 PolarHBondContact O-N 2.87Å
464	L	76.4	Confident	78	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-37.7	173.2	-70.6	172.4	0	0	0	112.1	L352 L434 I446 V460 S461 G468 L469 V470 V478	L352-L464 HydrophobicContact CD2-CD2 4.07Å; L434-L464 HydrophobicContact CD2-CD1 3.98Å; I446-L464 HydrophobicContact CG2-CD2 3.86Å; V460-L464 HydrophobicContact CG1-CD1 4.34Å; V460-L464 WeakPolarHBondContact O-CG 3.27Å; V460-L464 PolarHBondContact O-N 3.37Å; S461-L464 PolarHBondContact O-N 2.97Å; L464-G468 PolarHBondContact O-N 2.85Å; L464-L469 HydrophobicContact CD2-CD1 4.02Å; L464-L469 WeakPolarHBondContact O-CB 3.09Å; L464-L469 PolarHBondContact O-N 2.83Å; L464-V470 HydrophobicContact CB-CB 4.2Å; L464-V470 HydrophobicContact CB-CG2 3.75Å; L464-V470 HydrophobicContact CD1-CG2 4.3Å; L464-V470 PolarHBondContact O-N 3.33Å; L464-V478 HydrophobicContact CD1-CG1 4.37Å
465	F	78.1	Confident	78.6	Confident	87 Å²	87	46.8 Å²	46.8	38%	0.382	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-45	171.6	166.9	-107.8	0	0	0	112.7	S461 Q462 E463 A467 G468 V470 G472 V475	S461-F465 PolarHBondContact O-N 3.09Å; Q462-F465 PolarHBondContact O-N 2.85Å; E463-F465 VanDerWaalsContact C-N 3.25Å; E463-F465 PolarHBondContact O-N 3.36Å; F465-A467 PolarHBondContact O-N 3.33Å; F465-G468 WeakPolarHBondContact O-CA 3.43Å; F465-G468 PolarHBondContact O-N 2.85Å; F465-V470 WeakPolarHBondContact CD2-O 3.35Å; F465-G472 VanDerWaalsContact CD2-CA 3.42Å; F465-V475 HydrophobicContact CB-CG2 3.56Å; F465-V475 HydrophobicContact CD1-CG2 4.44Å; F465-V475 HydrophobicContact CD2-CG2 4.15Å; F465-V475 HydrophobicContact CG-CG2 3.79Å
466	S	64.9	Low	79.2	Confident	79 Å²	79	51.5 Å²	51.5	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-62.7	-30.3	179.2	-59.4	0	0	0	0	112.3	Q462 E463 G468	Q462-S466 WeakPolarHBondContact O-CB 3.37Å; Q462-S466 PolarHBondContact O-N 2.75Å; Q462-S466 PolarHBondContact O-OG 2.82Å; E463-S466 PolarHBondContact O-N 2.68Å; E463-S466 VanDerWaalsContact O-N 3.11Å; S466-G468 VanDerWaalsContact C-N 3.26Å; S466-G468 PolarHBondContact O-N 2.88Å
467	A	61.4	Low	79.4	Confident	46 Å²	46	49.9 Å²	49.9	38%	0.38	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.4	171.9	0	0	0	0	0	113.9	E463 F465 L469	E463-A467 WeakPolarHBondContact O-CB 3.43Å; E463-A467 PolarHBondContact O-N 2.87Å; F465-A467 PolarHBondContact O-N 3.33Å; A467-L469 VanDerWaalsContact C-N 3.28Å; A467-L469 HydrophobicContact CB-CD1 3.95Å; A467-L469 HydrophobicContact CB-CG 3.93Å; A467-L469 PolarHBondContact O-N 2.96Å
468	G	70.3	Confident	79.7	Confident	45 Å²	45	50.1 Å²	50.1	46%	0.464	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	21.3	-178.2	0	0	0	0	0	114	L464 F465 S466	L464-G468 PolarHBondContact O-N 2.85Å; F465-G468 WeakPolarHBondContact O-CA 3.43Å; F465-G468 PolarHBondContact O-N 2.85Å; S466-G468 VanDerWaalsContact C-N 3.26Å; S466-G468 PolarHBondContact O-N 2.88Å
469	L	74.4	Confident	80.1	Confident	27 Å²	27	45 Å²	45	14%	0.141	27%	0.27	C	S	.	.	S	Bend	trans	-92.5	-24.9	-178.2	-60.9	175.3	0	0	0	112.7	I446 L464 A467	I446-L469 HydrophobicContact CD1-CB 3.73Å; I446-L469 HydrophobicContact CD1-CD1 4.28Å; I446-L469 HydrophobicContact CD1-CG 4.43Å; I446-L469 HydrophobicContact CG1-CD1 4.46Å; I446-L469 HydrophobicContact CG2-CD1 4.12Å; L464-L469 HydrophobicContact CD2-CD1 4.02Å; L464-L469 WeakPolarHBondContact O-CB 3.09Å; L464-L469 PolarHBondContact O-N 2.83Å; A467-L469 VanDerWaalsContact C-N 3.28Å; A467-L469 HydrophobicContact CB-CD1 3.95Å; A467-L469 HydrophobicContact CB-CG 3.93Å; A467-L469 PolarHBondContact O-N 2.96Å
470	V	79.9	Confident	80.8	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.042	27%	0.272	C	S	.	.	S	Bend	trans	-124.8	142.6	177.9	171.8	0	0	0	0	109	L434 L464 F465 D474 V478	L434-V470 HydrophobicContact CD2-CG2 3.96Å; L464-V470 HydrophobicContact CB-CB 4.2Å; L464-V470 HydrophobicContact CB-CG2 3.75Å; L464-V470 HydrophobicContact CD1-CG2 4.3Å; L464-V470 PolarHBondContact O-N 3.33Å; F465-V470 WeakPolarHBondContact CD2-O 3.35Å; V470-D474 HydrophobicContact CG1-CB 3.86Å; V470-V478 HydrophobicContact CG1-CG2 3.91Å
471	D	82.7	Confident	81.4	Confident	77 Å²	77	45.9 Å²	45.9	41%	0.412	27%	0.274	S	S	.	.			trans	-70.1	147.2	176.6	-169	-82.5	0	0	0	111.2	H473 D474 V475	D471-H473 PolarHBondContact O-N 3.41Å; D471-H473 WeakPolarHBondContact OD1-CB 3.29Å; D471-H473 IonicContact OD1-CE1 3.48Å; D471-H473 IonicContact OD1-CG 2.68Å; D471-H473 PolarHBondContact OD1-N 2.83Å; D471-H473 IonicContact OD1-ND1 3.48Å; D471-H473 PolarHBondContact OD1-ND1 2.86Å; D471-D474 HydrophobicContact CB-CB 4.41Å; D471-D474 PolarHBondContact O-N 2.92Å; D471-V475 PolarHBondContact O-N 2.71Å
472	G	82.1	Confident	81.8	Confident	38 Å²	38	45.9 Å²	45.9	39%	0.392	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.4	-179.9	0	0	0	0	0	113.9	F465 D474	F465-G472 VanDerWaalsContact CD2-CA 3.42Å; G472-D474 VanDerWaalsContact C-N 3.26Å; G472-D474 PolarHBondContact O-N 3.27Å
473	H	86.3	Confident	82.6	Confident	142 Å²	142	44.9 Å²	44.9	66%	0.657	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.9	175.4	-57.9	89.6	0	0	0	112.4	D471 A500	D471-H473 PolarHBondContact O-N 3.41Å; D471-H473 WeakPolarHBondContact OD1-CB 3.29Å; D471-H473 IonicContact OD1-CE1 3.48Å; D471-H473 IonicContact OD1-CG 2.68Å; D471-H473 PolarHBondContact OD1-N 2.83Å; D471-H473 IonicContact OD1-ND1 3.48Å; D471-H473 PolarHBondContact OD1-ND1 2.86Å; H473-A500 WeakPolarHBondContact O-CB 3.41Å
474	D	89.1	Confident	83.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.011	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-7.1	-173.4	-66.3	-36.1	0	0	0	113.8	V470 D471 G472 V476 I477 V478 L499 A500 S501	V470-D474 HydrophobicContact CG1-CB 3.86Å; D471-D474 HydrophobicContact CB-CB 4.41Å; D471-D474 PolarHBondContact O-N 2.92Å; G472-D474 VanDerWaalsContact C-N 3.26Å; G472-D474 PolarHBondContact O-N 3.27Å; D474-V476 VanDerWaalsContact C-N 3.33Å; D474-V476 PolarHBondContact O-N 2.88Å; D474-I477 HydrophobicContact CB-CG2 4.17Å; D474-I477 WeakPolarHBondContact O-CG2 3.46Å; D474-I477 PolarHBondContact O-N 3.21Å; D474-V478 HydrophobicContact CB-CG2 4.39Å; D474-V478 WeakPolarHBondContact O-CB 3.28Å; D474-V478 VanDerWaalsContact O-CG2 3.29Å; D474-V478 WeakPolarHBondContact O-CG2 3.34Å; D474-V478 PolarHBondContact O-N 2.98Å; D474-L499 HydrophobicContact CB-CD2 4.02Å; D474-L499 WeakPolarHBondContact OD1-CB 3.26Å; D474-A500 WeakPolarHBondContact OD1-CA 3.2Å; D474-A500 PolarHBondContact OD1-N 3.46Å; D474-S501 VanDerWaalsContact CG-OG 3.3Å; D474-S501 PolarHBondContact OD1-N 3.27Å; D474-S501 PolarHBondContact OD1-OG 3.07Å; D474-S501 VanDerWaalsContact OD2-CB 3.26Å; D474-S501 WeakPolarHBondContact OD2-CB 3.49Å; D474-S501 PolarHBondContact OD2-OG 2.68Å
475	V	87.1	Confident	83.6	Confident	17 Å²	17	46.2 Å²	46.2	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-53.8	-47.8	-177.2	178.5	0	0	0	0	112.2	S461 F465 D471 A479	S461-V475 WeakPolarHBondContact OG-CA 3.39Å; S461-V475 PolarHBondContact OG-O 2.74Å; F465-V475 HydrophobicContact CB-CG2 3.56Å; F465-V475 HydrophobicContact CD1-CG2 4.44Å; F465-V475 HydrophobicContact CD2-CG2 4.15Å; F465-V475 HydrophobicContact CG-CG2 3.79Å; D471-V475 PolarHBondContact O-N 2.71Å; V475-A479 WeakPolarHBondContact O-CB 3.34Å; V475-A479 PolarHBondContact O-N 2.96Å
476	V	91	Very high	84	Confident	114 Å²	114	42.7 Å²	42.7	69%	0.691	26%	0.259	S	S	*	.	H	α-helix	trans	-68.5	-40.8	-176.5	-178.9	0	0	0	0	111.2	D474 A480	D474-V476 VanDerWaalsContact C-N 3.33Å; D474-V476 PolarHBondContact O-N 2.88Å; V476-A480 WeakPolarHBondContact O-CB 3.39Å; V476-A480 PolarHBondContact O-N 3.35Å
477	I	90.4	Very high	84.9	Confident	54 Å²	54	44.3 Å²	44.3	28%	0.277	26%	0.262	S	S	.	.	H	α-helix	trans	-74.4	-33.6	-178.1	-166.1	62.4	0	0	0	111.4	D474 N481 F497 L499 A500	D474-I477 HydrophobicContact CB-CG2 4.17Å; D474-I477 WeakPolarHBondContact O-CG2 3.46Å; D474-I477 PolarHBondContact O-N 3.21Å; I477-N481 PolarHBondContact O-N 2.65Å; I477-N481 PolarHBondContact O-ND2 2.97Å; I477-F497 HydrophobicContact CG1-CD2 4.05Å; I477-F497 HydrophobicContact CG2-CE2 4.47Å; I477-L499 HydrophobicContact CG2-CD2 4.49Å; I477-A500 HydrophobicContact CG2-CB 4.47Å
478	V	89.8	Confident	85.9	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-46.8	172.5	171.3	0	0	0	0	110.3	L434 L464 V470 D474 A480 N481 L482 F497	L434-V478 HydrophobicContact CD2-CG1 4.15Å; L464-V478 HydrophobicContact CD1-CG1 4.37Å; V470-V478 HydrophobicContact CG1-CG2 3.91Å; D474-V478 HydrophobicContact CB-CG2 4.39Å; D474-V478 WeakPolarHBondContact O-CB 3.28Å; D474-V478 VanDerWaalsContact O-CG2 3.29Å; D474-V478 WeakPolarHBondContact O-CG2 3.34Å; D474-V478 PolarHBondContact O-N 2.98Å; V478-A480 PolarHBondContact O-N 3.1Å; V478-N481 PolarHBondContact O-N 2.58Å; V478-L482 VanDerWaalsContact O-CB 3.23Å; V478-L482 WeakPolarHBondContact O-CB 3.41Å; V478-L482 PolarHBondContact O-N 3.44Å; V478-F497 HydrophobicContact CG2-CE2 3.94Å; V478-F497 HydrophobicContact CG2-CZ 4.07Å
479	A	90.3	Very high	86.1	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-47.3	176.7	0	0	0	0	0	111.9	A457 S461 V475 N481 L482 Q483	A457-A479 WeakPolarHBondContact CB-O 3.41Å; S461-A479 PolarHBondContact OG-N 3.43Å; V475-A479 WeakPolarHBondContact O-CB 3.34Å; V475-A479 PolarHBondContact O-N 2.96Å; A479-N481 VanDerWaalsContact C-N 3.33Å; A479-N481 PolarHBondContact O-N 3.1Å; A479-L482 PolarHBondContact O-N 2.82Å; A479-Q483 PolarHBondContact O-N 2.77Å
480	A	91.2	Very high	85.9	Confident	43 Å²	43	53.6 Å²	53.6	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-37	-179.4	0	0	0	0	0	113.2	V476 V478 K484	V476-A480 WeakPolarHBondContact O-CB 3.39Å; V476-A480 PolarHBondContact O-N 3.35Å; V478-A480 PolarHBondContact O-N 3.1Å; A480-K484 WeakPolarHBondContact O-CG 3.44Å; A480-K484 PolarHBondContact O-N 2.9Å
481	N	91.9	Very high	85.6	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.043	31%	0.314	C	S	.	.	H	α-helix	trans	-83	-27	179	-71	-61.9	0	0	0	112.6	I477 V478 A479 K484 I485 L495 F497	I477-N481 PolarHBondContact O-N 2.65Å; I477-N481 PolarHBondContact O-ND2 2.97Å; V478-N481 PolarHBondContact O-N 2.58Å; A479-N481 VanDerWaalsContact C-N 3.33Å; A479-N481 PolarHBondContact O-N 3.1Å; N481-K484 PolarHBondContact OD1-NZ 3.1Å; N481-K484 VanDerWaalsContact OD1-NZ 3.15Å; N481-I485 PolarHBondContact O-N 3.3Å; N481-L495 HydrophobicContact CB-CD2 3.7Å; N481-F497 HydrophobicContact CB-CD1 3.63Å; N481-F497 HydrophobicContact CB-CD2 4.36Å; N481-F497 HydrophobicContact CB-CE1 3.75Å; N481-F497 HydrophobicContact CB-CE2 4.45Å; N481-F497 HydrophobicContact CB-CG 3.95Å; N481-F497 HydrophobicContact CB-CZ 4.17Å; N481-F497 WeakPolarHBondContact ND2-CD2 3.36Å; N481-F497 VanDerWaalsContact ND2-CG 3.3Å; N481-F497 WeakPolarHBondContact ND2-CG 3.24Å
482	L	89.8	Confident	85.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-44.4	168.2	178.5	59.4	0	0	0	111.5	L432 F448 F450 A457 V460 V478 A479 K484 I485 V486 L520	L432-L482 HydrophobicContact CD1-CD1 3.28Å; F448-L482 HydrophobicContact CE2-CD1 3.87Å; F448-L482 HydrophobicContact CE2-CD2 4.26Å; F448-L482 HydrophobicContact CZ-CD1 3.96Å; F448-L482 HydrophobicContact CZ-CD2 4.5Å; F450-L482 HydrophobicContact CD2-CD1 4.36Å; F450-L482 HydrophobicContact CD2-CD2 4.28Å; F450-L482 HydrophobicContact CD2-CG 4.42Å; F450-L482 HydrophobicContact CE2-CD2 4.35Å; F450-L482 HydrophobicContact CE2-CG 4.49Å; A457-L482 HydrophobicContact CB-CB 4.11Å; A457-L482 HydrophobicContact CB-CD2 4.12Å; A457-L482 HydrophobicContact CB-CG 3.96Å; V460-L482 HydrophobicContact CB-CD2 3.76Å; V460-L482 HydrophobicContact CG1-CD2 3.71Å; V478-L482 VanDerWaalsContact O-CB 3.23Å; V478-L482 WeakPolarHBondContact O-CB 3.41Å; V478-L482 PolarHBondContact O-N 3.44Å; A479-L482 PolarHBondContact O-N 2.82Å; L482-K484 VanDerWaalsContact C-N 3.32Å; L482-K484 PolarHBondContact O-N 2.85Å; L482-I485 HydrophobicContact CD1-CG2 4.3Å; L482-I485 WeakPolarHBondContact O-CG2 3.33Å; L482-I485 PolarHBondContact O-N 2.9Å; L482-V486 HydrophobicContact CD1-CG2 4.04Å; L482-V486 WeakPolarHBondContact O-CB 3.36Å; L482-V486 VanDerWaalsContact O-CG2 3.27Å; L482-V486 WeakPolarHBondContact O-CG2 3.37Å; L482-V486 PolarHBondContact O-N 2.77Å; L482-V486 VanDerWaalsContact O-N 3.11Å; L482-L520 HydrophobicContact CB-CD2 4.16Å; L482-L520 HydrophobicContact CD1-CD2 3.92Å
483	Q	90.2	Very high	85.1	Confident	68 Å²	68	61.4 Å²	61.4	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-44.3	176.4	-167.4	60.9	55.1	0	0	111.4	A457 A479 I485 V486 D487	A457-Q483 HydrophobicContact CB-CB 3.8Å; A457-Q483 VanDerWaalsContact CB-OE1 3.31Å; A479-Q483 PolarHBondContact O-N 2.77Å; Q483-I485 PolarHBondContact O-N 3.4Å; Q483-V486 PolarHBondContact O-N 3.11Å; Q483-D487 PolarHBondContact NE2-OD1 2.85Å; Q483-D487 WeakPolarHBondContact O-CB 3.48Å; Q483-D487 PolarHBondContact O-N 3.29Å
484	K	87.8	Confident	85.1	Confident	108 Å²	108	58.2 Å²	58.2	47%	0.47	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-43.1	177.9	-70.8	172.2	-165.2	168.3	0	113.4	A480 N481 L482 V486 L492 L495	A480-K484 WeakPolarHBondContact O-CG 3.44Å; A480-K484 PolarHBondContact O-N 2.9Å; N481-K484 PolarHBondContact OD1-NZ 3.1Å; N481-K484 VanDerWaalsContact OD1-NZ 3.15Å; L482-K484 VanDerWaalsContact C-N 3.32Å; L482-K484 PolarHBondContact O-N 2.85Å; K484-V486 VanDerWaalsContact C-N 3.33Å; K484-L492 WeakPolarHBondContact O-CD1 3.39Å; K484-L495 HydrophobicContact CB-CD2 4.3Å; K484-L495 HydrophobicContact CD-CD2 4.46Å
485	I	87.2	Confident	85.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.3	-31.9	-178.1	-148.7	171.4	0	0	0	111.6	L432 N481 L482 Q483 D488 P489 L492 L495 L520 V522	L432-I485 HydrophobicContact CD1-CG2 4.12Å; L432-I485 HydrophobicContact CD2-CD1 4.33Å; L432-I485 HydrophobicContact CD2-CG2 3.74Å; N481-I485 PolarHBondContact O-N 3.3Å; L482-I485 HydrophobicContact CD1-CG2 4.3Å; L482-I485 WeakPolarHBondContact O-CG2 3.33Å; L482-I485 PolarHBondContact O-N 2.9Å; Q483-I485 PolarHBondContact O-N 3.4Å; I485-D488 CarbonylContact O-C 2.96Å; I485-P489 WeakPolarHBondContact O-CA 3.3Å; I485-P489 VanDerWaalsContact O-N 3.16Å; I485-L492 HydrophobicContact CG1-CB 4.09Å; I485-L492 WeakPolarHBondContact CG1-O 3.23Å; I485-L495 HydrophobicContact CD1-CB 4.49Å; I485-L520 HydrophobicContact CB-CD2 4.01Å; I485-L520 HydrophobicContact CD1-CB 4.24Å; I485-L520 HydrophobicContact CD1-CD2 4.19Å; I485-L520 HydrophobicContact CD1-CG 3.88Å; I485-L520 HydrophobicContact CG2-CD2 3.37Å; I485-L520 HydrophobicContact CG2-CG 4.04Å; I485-V522 HydrophobicContact CD1-CG2 3.85Å; I485-V522 HydrophobicContact CG1-CG2 3.87Å
486	V	85.9	Confident	85.5	Confident	14 Å²	14	60.9 Å²	60.9	9%	0.085	33%	0.328	C	S	.	.	H	α-helix	trans	-78	-31.2	179.4	169.8	0	0	0	0	112	L432 F450 P452 L482 Q483 K484 D488 P489	L432-V486 HydrophobicContact CD1-CG2 3.98Å; F450-V486 HydrophobicContact CB-CG2 4.33Å; F450-V486 HydrophobicContact CD1-CB 4.25Å; F450-V486 HydrophobicContact CD1-CG1 3.52Å; F450-V486 HydrophobicContact CD1-CG2 3.64Å; F450-V486 HydrophobicContact CD2-CG2 4.15Å; F450-V486 HydrophobicContact CE1-CB 4.23Å; F450-V486 HydrophobicContact CE1-CG1 3.31Å; F450-V486 HydrophobicContact CE1-CG2 3.99Å; F450-V486 HydrophobicContact CE2-CG2 4.42Å; F450-V486 HydrophobicContact CG-CG1 4.45Å; F450-V486 HydrophobicContact CG-CG2 3.75Å; F450-V486 HydrophobicContact CZ-CG1 4.07Å; F450-V486 HydrophobicContact CZ-CG2 4.35Å; P452-V486 HydrophobicContact CG-CG1 4.22Å; L482-V486 HydrophobicContact CD1-CG2 4.04Å; L482-V486 WeakPolarHBondContact O-CB 3.36Å; L482-V486 VanDerWaalsContact O-CG2 3.27Å; L482-V486 WeakPolarHBondContact O-CG2 3.37Å; L482-V486 PolarHBondContact O-N 2.77Å; L482-V486 VanDerWaalsContact O-N 3.11Å; Q483-V486 PolarHBondContact O-N 3.11Å; K484-V486 VanDerWaalsContact C-N 3.33Å; V486-D488 VanDerWaalsContact C-N 3.32Å; V486-P489 WeakPolarHBondContact O-CD 3.27Å
487	D	84.8	Confident	85.6	Confident	113 Å²	113	56.1 Å²	56.1	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-67.6	-32.3	177.5	-71.8	-17.9	0	0	0	112.1	Q483	Q483-D487 PolarHBondContact NE2-OD1 2.85Å; Q483-D487 WeakPolarHBondContact O-CB 3.48Å; Q483-D487 PolarHBondContact O-N 3.29Å
488	D	81.7	Confident	85.7	Confident	75 Å²	75	59.7 Å²	59.7	40%	0.401	31%	0.312	S	S	.	.			trans	-143.3	72.9	175.5	-165.6	-10.2	0	0	0	113	I485 V486 K490 A491 L492	I485-D488 CarbonylContact O-C 2.96Å; V486-D488 VanDerWaalsContact C-N 3.32Å; D488-K490 PolarHBondContact O-N 3.3Å; D488-A491 HydrophobicContact CB-CB 4.37Å; D488-A491 PolarHBondContact O-N 3.18Å; D488-A491 WeakPolarHBondContact OD1-CB 3.39Å; D488-A491 PolarHBondContact OD1-N 3.35Å; D488-A491 WeakPolarHBondContact OD2-CB 3.46Å; D488-L492 PolarHBondContact O-N 3.43Å
489	P	74.4	Confident	85.7	Confident	45 Å²	45	60.2 Å²	60.2	29%	0.292	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.9	-175.8	26.9	-33.5	0	0	0	112.8	V430 I485 V486 V522	V430-P489 HydrophobicContact CG1-CB 4.2Å; I485-P489 WeakPolarHBondContact O-CA 3.3Å; I485-P489 VanDerWaalsContact O-N 3.16Å; V486-P489 WeakPolarHBondContact O-CD 3.27Å; P489-V522 HydrophobicContact CB-CG2 4.23Å
490	K	70.9	Confident	85.5	Confident	193 Å²	193	63.5 Å²	63.5	84%	0.839	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-34.5	178.2	-69.4	-177.6	-178.6	175.5	0	111.9	D488	D488-K490 PolarHBondContact O-N 3.3Å
491	A	73.9	Confident	85	Confident	71 Å²	71	64.1 Å²	64.1	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-31.9	176	0	0	0	0	0	113.1	D488	D488-A491 HydrophobicContact CB-CB 4.37Å; D488-A491 PolarHBondContact O-N 3.18Å; D488-A491 WeakPolarHBondContact OD1-CB 3.39Å; D488-A491 PolarHBondContact OD1-N 3.35Å; D488-A491 WeakPolarHBondContact OD2-CB 3.46Å
492	L	75.4	Confident	84.2	Confident	60 Å²	60	65.1 Å²	65.1	31%	0.314	36%	0.355	S	S	.	.			trans	-109.1	78.6	-175.5	-67.8	167.6	0	0	0	111.6	K484 I485 D488 T494	K484-L492 WeakPolarHBondContact O-CD1 3.39Å; I485-L492 HydrophobicContact CG1-CB 4.09Å; I485-L492 WeakPolarHBondContact CG1-O 3.23Å; D488-L492 PolarHBondContact O-N 3.43Å; L492-T494 VanDerWaalsContact C-N 3.3Å; L492-T494 PolarHBondContact O-N 2.95Å
493	K	78.6	Confident	83.3	Confident	154 Å²	154	67 Å²	67	67%	0.67	37%	0.368	S	S	*	.	S	Bend	trans	-68.1	-29.5	175.8	-68.8	-169.4	176.6	-171.9	0	113.5	S521 V522	K493-S521 VanDerWaalsContact O-CA 3.31Å; K493-S521 WeakPolarHBondContact O-CA 3.45Å; K493-V522 PolarHBondContact O-N 3Å
494	T	86.6	Confident	82.1	Confident	76 Å²	76	68.2 Å²	68.2	47%	0.466	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	137.1	-178.8	-52.2	0	0	0	0	109.7	L492 Q519 L520	L492-T494 VanDerWaalsContact C-N 3.3Å; L492-T494 PolarHBondContact O-N 2.95Å; T494-Q519 HydrophobicContact CG2-CG 3.52Å; T494-L520 CarbonylContact C-O 3.44Å; T494-L520 WeakPolarHBondContact CA-O 3.41Å
495	L	90.8	Very high	80.8	Confident	34 Å²	34	67.7 Å²	67.7	18%	0.178	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	111.7	-179.3	-175	68.4	0	0	0	109.2	N481 K484 I485 Q519 L520	N481-L495 HydrophobicContact CB-CD2 3.7Å; K484-L495 HydrophobicContact CB-CD2 4.3Å; K484-L495 HydrophobicContact CD-CD2 4.46Å; I485-L495 HydrophobicContact CD1-CB 4.49Å; L495-Q519 CarbonylContact O-C 3.58Å; L495-Q519 WeakPolarHBondContact O-CA 3.33Å; L495-L520 PolarHBondContact N-O 3.44Å; L495-L520 PolarHBondContact O-N 3.32Å
496	T	92.6	Very high	79.7	Confident	41 Å²	41	72.6 Å²	72.6	25%	0.252	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.2	171.3	-53.6	0	0	0	0	109.2	E511 L514 F517 A518 Q519	T496-E511 HydrophobicContact CG2-CG 3.64Å; T496-L514 HydrophobicContact CG2-CD2 3.74Å; T496-F517 HydrophobicContact CG2-CB 4.19Å; T496-F517 HydrophobicContact CG2-CD1 4.35Å; T496-A518 CarbonylContact C-O 3.42Å; T496-A518 WeakPolarHBondContact CA-O 3.4Å; T496-Q519 PolarHBondContact OG1-NE2 2.89Å; T496-Q519 VanDerWaalsContact OG1-NE2 3.1Å
497	F	93.7	Very high	79.2	Confident	14 Å²	14	75 Å²	75	6%	0.061	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.4	-178.6	58.9	-87.6	0	0	0	111.7	L434 I477 V478 N481 L499 F517 A518 L520	L434-F497 HydrophobicContact CD1-CE1 4.38Å; L434-F497 HydrophobicContact CD1-CZ 4.06Å; I477-F497 HydrophobicContact CG1-CD2 4.05Å; I477-F497 HydrophobicContact CG2-CE2 4.47Å; V478-F497 HydrophobicContact CG2-CE2 3.94Å; V478-F497 HydrophobicContact CG2-CZ 4.07Å; N481-F497 HydrophobicContact CB-CD1 3.63Å; N481-F497 HydrophobicContact CB-CD2 4.36Å; N481-F497 HydrophobicContact CB-CE1 3.75Å; N481-F497 HydrophobicContact CB-CE2 4.45Å; N481-F497 HydrophobicContact CB-CG 3.95Å; N481-F497 HydrophobicContact CB-CZ 4.17Å; N481-F497 WeakPolarHBondContact ND2-CD2 3.36Å; N481-F497 VanDerWaalsContact ND2-CG 3.3Å; N481-F497 WeakPolarHBondContact ND2-CG 3.24Å; F497-L499 HydrophobicContact CE2-CD2 4.03Å; F497-F517 CarbonylContact O-C 3.58Å; F497-F517 VanDerWaalsContact O-CA 3.27Å; F497-F517 WeakPolarHBondContact O-CA 3.43Å; F497-F517 WeakPolarHBondContact O-CB 3.12Å; F497-A518 HydrophobicContact CD2-CB 4.48Å; F497-A518 HydrophobicContact CE1-CB 4.21Å; F497-A518 HydrophobicContact CE2-CB 3.89Å; F497-A518 HydrophobicContact CZ-CB 3.74Å; F497-A518 PolarHBondContact N-O 3.04Å; F497-A518 PolarHBondContact O-N 3.02Å; F497-L520 HydrophobicContact CE1-CB 4.13Å
498	K	91.8	Very high	79	Confident	128 Å²	128	76.5 Å²	76.5	56%	0.557	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.6	-179.8	-168.2	177.9	178.6	179.9	0	110.4	F517	K498-F517 HydrophobicContact CB-CD1 3.94Å; K498-F517 HydrophobicContact CB-CE1 3.79Å; K498-F517 HydrophobicContact CB-CZ 4.47Å; K498-F517 HydrophobicContact CG-CD1 4.4Å; K498-F517 HydrophobicContact CG-CE1 4.12Å; K498-F517 HydrophobicContact CG-CZ 4.33Å
499	L	90.1	Very high	79.2	Confident	15 Å²	15	76 Å²	76	8%	0.079	46%	0.455	C	S	.	.			trans	-80.4	144.6	174.1	-65.8	176.6	0	0	0	110.4	D474 I477 F497 G502 G516 A518	D474-L499 HydrophobicContact CB-CD2 4.02Å; D474-L499 WeakPolarHBondContact OD1-CB 3.26Å; I477-L499 HydrophobicContact CG2-CD2 4.49Å; F497-L499 HydrophobicContact CE2-CD2 4.03Å; L499-G502 PolarHBondContact O-N 2.89Å; L499-G516 PolarHBondContact N-O 3.19Å; L499-A518 HydrophobicContact CD1-CB 4.34Å; L499-A518 HydrophobicContact CD2-CB 3.77Å; L499-A518 HydrophobicContact CG-CB 4.15Å
500	A	85.9	Confident	79.8	Confident	73 Å²	73	75.9 Å²	75.9	60%	0.603	45%	0.451	S	S	*	.	S	Bend	trans	-75.9	-29	177.5	0	0	0	0	0	112	H473 D474 I477 G502	H473-A500 WeakPolarHBondContact O-CB 3.41Å; D474-A500 WeakPolarHBondContact OD1-CA 3.2Å; D474-A500 PolarHBondContact OD1-N 3.46Å; I477-A500 HydrophobicContact CG2-CB 4.47Å; A500-G502 PolarHBondContact O-N 3.32Å
501	S	81.4	Confident	80.6	Confident	55 Å²	55	72.1 Å²	72.1	39%	0.385	44%	0.437	S	S	.	.	S	Bend	trans	-60.4	-23.3	170.1	59.5	0	0	0	0	113	D474	D474-S501 VanDerWaalsContact CG-OG 3.3Å; D474-S501 PolarHBondContact OD1-N 3.27Å; D474-S501 PolarHBondContact OD1-OG 3.07Å; D474-S501 VanDerWaalsContact OD2-CB 3.26Å; D474-S501 WeakPolarHBondContact OD2-CB 3.49Å; D474-S501 PolarHBondContact OD2-OG 2.68Å
502	G	75.1	Confident	81	Confident	29 Å²	29	75.4 Å²	75.4	30%	0.299	45%	0.449	S	S	.	.			trans	72.4	-153.2	177.9	0	0	0	0	0	113.3	L499 A500	L499-G502 PolarHBondContact O-N 2.89Å; A500-G502 PolarHBondContact O-N 3.32Å
503	C	69.7	Low	81.4	Confident	40 Å²	40	78.1 Å²	78.1	27%	0.27	46%	0.458	S	S	.	.			trans	-125.4	155.5	171.3	62.9	0	0	0	0	109.2	E507 I515	C503-E507 HydrophobicContact CB-CB 4.16Å; C503-E507 PolarHBondContact SG-O 3.15Å; C503-E507 VanDerWaalsContact SG-O 3.33Å; C503-I515 HydrophobicContact CB-CG2 4.08Å
504	D	65.3	Low	81.8	Confident	95 Å²	95	71.1 Å²	71.1	51%	0.508	43%	0.428	S	S	.	.			trans	-52.7	146	175.7	-75.2	-31.3	0	0	0	110.4	K441 S506 E507	K441-D504 WeakPolarHBondContact CE-OD2 3.26Å; K441-D504 IonicContact NZ-OD2 2.74Å; K441-D504 PolarHBondContact NZ-OD2 3.46Å; D504-S506 PolarHBondContact O-N 3.01Å; D504-E507 PolarHBondContact O-N 2.76Å
505	G	60.1	Low	81.8	Confident	97 Å²	97	69 Å²	69	100%	1	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-4.8	-177.9	0	0	0	0	0	116
506	S	65.8	Low	81.6	Confident	103 Å²	103	67.9 Å²	67.9	72%	0.72	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.9	172.7	59.2	0	0	0	0	114.5	D504	D504-S506 PolarHBondContact O-N 3.01Å
507	E	75.3	Confident	81.6	Confident	63 Å²	63	67.6 Å²	67.6	29%	0.294	41%	0.406	S	S	.	.	S	Bend	trans	-110.2	143.9	-174.7	-70	-178.1	158.1	0	0	112	K441 C503 D504 I515	K441-E507 VanDerWaalsContact CD-OE1 3.31Å; K441-E507 WeakPolarHBondContact CD-OE1 3.21Å; K441-E507 IonicContact NZ-OE1 2.73Å; K441-E507 PolarHBondContact NZ-OE1 3.03Å; K441-E507 IonicContact NZ-OE2 3.07Å; K441-E507 PolarHBondContact NZ-OE2 2.84Å; C503-E507 HydrophobicContact CB-CB 4.16Å; C503-E507 PolarHBondContact SG-O 3.15Å; C503-E507 VanDerWaalsContact SG-O 3.33Å; D504-E507 PolarHBondContact O-N 2.76Å; E507-I515 HydrophobicContact CB-CG2 4.01Å
508	I	80.1	Confident	81.6	Confident	145 Å²	145	66.9 Å²	66.9	74%	0.744	40%	0.403	S	S	*	.			trans	-92.2	122.9	174	-57.8	171.4	0	0	0	106.5	D510	I508-D510 PolarHBondContact O-N 2.89Å
509	P	85.2	Confident	81.7	Confident	66 Å²	66	63.1 Å²	63.1	43%	0.429	39%	0.387	S	S	.	.			trans	-54.3	132.2	175	-22.2	29	0	0	0	111.1	I515 F517	P509-I515 WeakPolarHBondContact CA-O 3.2Å; P509-F517 HydrophobicContact CB-CE2 3.96Å
510	D	86.8	Confident	81.8	Confident	42 Å²	42	62.6 Å²	62.6	23%	0.225	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-141.9	112.9	-177.2	-175	-35.5	0	0	0	108.8	I508 V512 K513 L514 I515	I508-D510 PolarHBondContact O-N 2.89Å; D510-V512 PolarHBondContact OD1-N 3.25Å; D510-K513 HydrophobicContact CB-CB 4.1Å; D510-K513 PolarHBondContact OD1-N 3.2Å; D510-K513 WeakPolarHBondContact OD2-CG 3.32Å; D510-K513 IonicContact OD2-NZ 3.97Å; D510-K513 PolarHBondContact OD2-NZ 3.37Å; D510-L514 CarbonylContact O-C 3.56Å; D510-L514 WeakPolarHBondContact O-CA 3.16Å; D510-L514 PolarHBondContact O-N 3.12Å; D510-I515 HydrophobicContact CB-CB 4.17Å; D510-I515 HydrophobicContact CB-CD1 4.15Å; D510-I515 HydrophobicContact CB-CG1 4.36Å; D510-I515 PolarHBondContact N-O 3.13Å; D510-I515 VanDerWaalsContact N-O 3.09Å; D510-I515 PolarHBondContact O-N 2.91Å
511	E	87.6	Confident	82	Confident	114 Å²	114	60.3 Å²	60.3	53%	0.533	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-36.8	-177	-171.5	178.6	171.6	0	0	112.1	T496 L514 F517	T496-E511 HydrophobicContact CG2-CG 3.64Å; E511-L514 WeakPolarHBondContact O-CD2 3.31Å; E511-L514 PolarHBondContact O-N 2.75Å; E511-F517 HydrophobicContact CB-CD1 4.38Å; E511-F517 HydrophobicContact CB-CD2 4.35Å; E511-F517 HydrophobicContact CB-CE1 4.27Å; E511-F517 HydrophobicContact CB-CE2 4.25Å; E511-F517 HydrophobicContact CB-CG 4.43Å; E511-F517 HydrophobicContact CB-CZ 4.21Å; E511-F517 HydrophobicContact CG-CD1 4.13Å; E511-F517 HydrophobicContact CG-CE1 4.23Å; E511-F517 HydrophobicContact CG-CG 4.47Å
512	V	84.2	Confident	82.2	Confident	139 Å²	139	59.7 Å²	59.7	84%	0.842	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-38.6	-178.6	-179	0	0	0	0	110.6	D510 L514	D510-V512 PolarHBondContact OD1-N 3.25Å; V512-L514 VanDerWaalsContact C-N 3.29Å
513	K	83.3	Confident	81.9	Confident	117 Å²	117	64.3 Å²	64.3	51%	0.509	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.8	176.3	-59.3	-165.6	-167	89.2	0	113.4	R437 D510 I515	R437-K513 VanDerWaalsContact CZ-O 3.31Å; R437-K513 PolarHBondContact NE-O 3.02Å; R437-K513 PolarHBondContact NH2-O 2.81Å; D510-K513 HydrophobicContact CB-CB 4.1Å; D510-K513 PolarHBondContact OD1-N 3.2Å; D510-K513 WeakPolarHBondContact OD2-CG 3.32Å; D510-K513 IonicContact OD2-NZ 3.97Å; D510-K513 PolarHBondContact OD2-NZ 3.37Å; K513-I515 VanDerWaalsContact C-N 3.27Å; K513-I515 HydrophobicContact CB-CD1 4.01Å; K513-I515 HydrophobicContact CB-CG1 3.95Å; K513-I515 HydrophobicContact CD-CD1 4.34Å; K513-I515 PolarHBondContact O-N 3.38Å
514	L	87.4	Confident	82.5	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.042	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.7	-174.9	-58.6	173.4	0	0	0	113.2	R435 R437 L443 T496 D510 E511 V512 F517 Q519	R435-L514 HydrophobicContact CB-CD1 4.31Å; R435-L514 HydrophobicContact CG-CD1 3.57Å; R437-L514 WeakPolarHBondContact CD-O 3.32Å; R437-L514 WeakPolarHBondContact CG-O 3.24Å; R437-L514 PolarHBondContact NE-O 2.84Å; L443-L514 HydrophobicContact CD2-CB 3.98Å; L443-L514 HydrophobicContact CD2-CD1 3.94Å; T496-L514 HydrophobicContact CG2-CD2 3.74Å; D510-L514 CarbonylContact O-C 3.56Å; D510-L514 WeakPolarHBondContact O-CA 3.16Å; D510-L514 PolarHBondContact O-N 3.12Å; E511-L514 WeakPolarHBondContact O-CD2 3.31Å; E511-L514 PolarHBondContact O-N 2.75Å; V512-L514 VanDerWaalsContact C-N 3.29Å; L514-F517 HydrophobicContact CD2-CB 3.97Å; L514-Q519 HydrophobicContact CD1-CB 4Å; L514-Q519 HydrophobicContact CD2-CB 3.94Å
515	I	85.9	Confident	83.5	Confident	30 Å²	30	63.9 Å²	63.9	15%	0.154	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-90.9	105	173.5	-59.6	174.9	0	0	0	107.4	C503 E507 P509 D510 K513 F517	C503-I515 HydrophobicContact CB-CG2 4.08Å; E507-I515 HydrophobicContact CB-CG2 4.01Å; P509-I515 WeakPolarHBondContact CA-O 3.2Å; D510-I515 HydrophobicContact CB-CB 4.17Å; D510-I515 HydrophobicContact CB-CD1 4.15Å; D510-I515 HydrophobicContact CB-CG1 4.36Å; D510-I515 PolarHBondContact N-O 3.13Å; D510-I515 VanDerWaalsContact N-O 3.09Å; D510-I515 PolarHBondContact O-N 2.91Å; K513-I515 VanDerWaalsContact C-N 3.27Å; K513-I515 HydrophobicContact CB-CD1 4.01Å; K513-I515 HydrophobicContact CB-CG1 3.95Å; K513-I515 HydrophobicContact CD-CD1 4.34Å; K513-I515 PolarHBondContact O-N 3.38Å; I515-F517 VanDerWaalsContact C-N 3.29Å; I515-F517 VanDerWaalsContact O-CD2 3.27Å; I515-F517 WeakPolarHBondContact O-CD2 3.33Å
516	G	87.1	Confident	84.7	Confident	12 Å²	12	62.1 Å²	62.1	12%	0.124	35%	0.351	C	S	.	.	S	Bend	trans	77.2	13.5	-171.8	0	0	0	0	0	114.1	L499	L499-G516 PolarHBondContact N-O 3.19Å
517	F	92.9	Very high	85.9	Confident	34 Å²	34	59.7 Å²	59.7	15%	0.149	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.8	177.2	-65	-100.7	0	0	0	110.2	T496 F497 K498 P509 E511 L514 I515	T496-F517 HydrophobicContact CG2-CB 4.19Å; T496-F517 HydrophobicContact CG2-CD1 4.35Å; F497-F517 CarbonylContact O-C 3.58Å; F497-F517 VanDerWaalsContact O-CA 3.27Å; F497-F517 WeakPolarHBondContact O-CA 3.43Å; F497-F517 WeakPolarHBondContact O-CB 3.12Å; K498-F517 HydrophobicContact CB-CD1 3.94Å; K498-F517 HydrophobicContact CB-CE1 3.79Å; K498-F517 HydrophobicContact CB-CZ 4.47Å; K498-F517 HydrophobicContact CG-CD1 4.4Å; K498-F517 HydrophobicContact CG-CE1 4.12Å; K498-F517 HydrophobicContact CG-CZ 4.33Å; P509-F517 HydrophobicContact CB-CE2 3.96Å; E511-F517 HydrophobicContact CB-CD1 4.38Å; E511-F517 HydrophobicContact CB-CD2 4.35Å; E511-F517 HydrophobicContact CB-CE1 4.27Å; E511-F517 HydrophobicContact CB-CE2 4.25Å; E511-F517 HydrophobicContact CB-CG 4.43Å; E511-F517 HydrophobicContact CB-CZ 4.21Å; E511-F517 HydrophobicContact CG-CD1 4.13Å; E511-F517 HydrophobicContact CG-CE1 4.23Å; E511-F517 HydrophobicContact CG-CG 4.47Å; L514-F517 HydrophobicContact CD2-CB 3.97Å; I515-F517 VanDerWaalsContact C-N 3.29Å; I515-F517 VanDerWaalsContact O-CD2 3.27Å; I515-F517 WeakPolarHBondContact O-CD2 3.33Å
518	A	92.4	Very high	86.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	156.5	167.8	0	0	0	0	0	109.5	L434 R435 L436 T496 F497 L499	L434-A518 HydrophobicContact CD1-CB 4.19Å; R435-A518 CarbonylContact O-C 3.59Å; R435-A518 WeakPolarHBondContact O-CA 3.33Å; L436-A518 HydrophobicContact CB-CB 3.8Å; T496-A518 CarbonylContact C-O 3.42Å; T496-A518 WeakPolarHBondContact CA-O 3.4Å; F497-A518 HydrophobicContact CD2-CB 4.48Å; F497-A518 HydrophobicContact CE1-CB 4.21Å; F497-A518 HydrophobicContact CE2-CB 3.89Å; F497-A518 HydrophobicContact CZ-CB 3.74Å; F497-A518 PolarHBondContact N-O 3.04Å; F497-A518 PolarHBondContact O-N 3.02Å; L499-A518 HydrophobicContact CD1-CB 4.34Å; L499-A518 HydrophobicContact CD2-CB 3.77Å; L499-A518 HydrophobicContact CG-CB 4.15Å
519	Q	94.1	Very high	87	Confident	48 Å²	48	53.8 Å²	53.8	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.5	177.7	176.5	173.2	87.9	0	0	109.4	R435 T494 L495 T496 L514	R435-Q519 HydrophobicContact CB-CB 4.41Å; R435-Q519 PolarHBondContact N-O 3.32Å; R435-Q519 PolarHBondContact O-N 3.24Å; T494-Q519 HydrophobicContact CG2-CG 3.52Å; L495-Q519 CarbonylContact O-C 3.58Å; L495-Q519 WeakPolarHBondContact O-CA 3.33Å; T496-Q519 PolarHBondContact OG1-NE2 2.89Å; T496-Q519 VanDerWaalsContact OG1-NE2 3.1Å; L514-Q519 HydrophobicContact CD1-CB 4Å; L514-Q519 HydrophobicContact CD2-CB 3.94Å
520	L	92.3	Very high	87.1	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.6	172.8	-169.5	65.6	0	0	0	108.7	L432 V433 L434 F448 L482 I485 T494 L495 F497	L432-L520 HydrophobicContact CB-CD1 4.36Å; V433-L520 CarbonylContact O-C 3.57Å; V433-L520 WeakPolarHBondContact O-CA 3.42Å; L434-L520 HydrophobicContact CB-CD1 3.88Å; L434-L520 HydrophobicContact CD1-CB 4.43Å; L434-L520 HydrophobicContact CD1-CD1 4.11Å; F448-L520 HydrophobicContact CE1-CD1 4.35Å; F448-L520 HydrophobicContact CZ-CD1 4.05Å; L482-L520 HydrophobicContact CB-CD2 4.16Å; L482-L520 HydrophobicContact CD1-CD2 3.92Å; I485-L520 HydrophobicContact CB-CD2 4.01Å; I485-L520 HydrophobicContact CD1-CB 4.24Å; I485-L520 HydrophobicContact CD1-CD2 4.19Å; I485-L520 HydrophobicContact CD1-CG 3.88Å; I485-L520 HydrophobicContact CG2-CD2 3.37Å; I485-L520 HydrophobicContact CG2-CG 4.04Å; T494-L520 CarbonylContact C-O 3.44Å; T494-L520 WeakPolarHBondContact CA-O 3.41Å; L495-L520 PolarHBondContact N-O 3.44Å; L495-L520 PolarHBondContact O-N 3.32Å; F497-L520 HydrophobicContact CE1-CB 4.13Å
521	S	89.9	Confident	87.1	Confident	25 Å²	25	53.8 Å²	53.8	18%	0.175	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.1	179.3	54.4	0	0	0	0	111.3	L432 V433 K493	L432-S521 CarbonylContact C-O 3.56Å; L432-S521 WeakPolarHBondContact CA-O 3.36Å; V433-S521 PolarHBondContact N-O 2.92Å; V433-S521 PolarHBondContact O-N 3.26Å; V433-S521 PolarHBondContact O-OG 3.12Å; K493-S521 VanDerWaalsContact O-CA 3.31Å; K493-S521 WeakPolarHBondContact O-CA 3.45Å
522	V	85.7	Confident	87.1	Confident	42 Å²	42	48.8 Å²	48.8	26%	0.255	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.2	171.1	-173.9	0	0	0	0	107.7	V430 N431 L432 I485 P489 K493	V430-V522 HydrophobicContact CG1-CG1 3.96Å; V430-V522 HydrophobicContact CG1-CG2 4.43Å; N431-V522 WeakPolarHBondContact O-CA 3.47Å; L432-V522 HydrophobicContact CD2-CB 4.41Å; L432-V522 HydrophobicContact CD2-CG2 3.84Å; I485-V522 HydrophobicContact CD1-CG2 3.85Å; I485-V522 HydrophobicContact CG1-CG2 3.87Å; P489-V522 HydrophobicContact CB-CG2 4.23Å; K493-V522 PolarHBondContact O-N 3Å
523	S	69.6	Low	87.3	Confident	126 Å²	126	40.5 Å²	40.5	88%	0.881	23%	0.23	S	C	*	.			trans	-83.6	0	179.7	-171	0	0	0	0	113.2	N431	N431-S523 PolarHBondContact O-N 3.16Å

Retrieved 523 of 523 residues in 111.7 ms (Link to these results)

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