A0A087XW17_POEFO Loading...

Tumor protein p53 inducible protein 13

AlphaFold DB , UniProt , Accession A0A087XW17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 555 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	49.2	Very low	230 Å²	230	122.9 Å²	122.9	100%	1.133	72%	0.721	S	S	*	*				0	119.3	0	-68.7	-56.4	-178.4	0	0	107.5
2	P	40	Very low	50.5	Low	127 Å²	127	117.5 Å²	117.5	83%	0.825	70%	0.701	S	S	*	*				-113.6	165	100	34.2	-36.3	0	0	0	112.8
3	S	39.4	Very low	51.8	Low	102 Å²	102	115.2 Å²	115.2	71%	0.713	69%	0.688	S	S	*	*			trans	-84.2	136.6	-177.8	36.3	0	0	0	0	112.5	T5	S3-T5 PolarHBondContact O-N 3.33Å
4	Q	43.9	Very low	53	Low	198 Å²	198	115 Å²	115	93%	0.925	68%	0.682	S	S	*	*			trans	-74.7	114.6	164.4	-67.5	-175.9	2.6	0	0	108.8
5	T	42	Very low	53.7	Low	118 Å²	118	114.3 Å²	114.3	72%	0.724	67%	0.672	S	S	*	*			trans	-86.8	130.2	175.2	43.7	0	0	0	0	110.9	S3 S7	S3-T5 PolarHBondContact O-N 3.33Å; T5-S7 PolarHBondContact O-N 3.17Å
6	S	52.5	Low	54.6	Low	108 Å²	108	110.3 Å²	110.3	76%	0.755	66%	0.656	S	S	*	*			trans	-76.7	79.7	-173.3	39.5	0	0	0	0	112.7	P9	S6-P9 WeakPolarHBondContact O-CD 3.48Å
7	S	52.6	Low	55.3	Low	79 Å²	79	107.1 Å²	107.1	55%	0.552	65%	0.645	S	S	*	*			trans	-82.6	-18.4	-177.2	58.7	0	0	0	0	115.6	T5 L10 A11	T5-S7 PolarHBondContact O-N 3.17Å; S7-L10 PolarHBondContact O-N 2.82Å; S7-L10 VanDerWaalsContact O-N 3.14Å; S7-A11 PolarHBondContact O-N 3.38Å
8	L	51.7	Low	55.6	Low	141 Å²	141	106.7 Å²	106.7	74%	0.738	64%	0.638	S	S	*	*	H	α-helix	trans	-48.6	-50	-179.2	-95.3	75.9	0	0	0	115.5	L10 A11 A12	L8-L10 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 3.43Å; L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 3.03Å
9	P	58.3	Low	55.8	Low	82 Å²	82	110.8 Å²	110.8	53%	0.532	64%	0.642	S	S	.	*	H	α-helix	trans	-65.3	-28.8	-176.9	25.4	-34.8	0	0	0	112.7	S6 T13	S6-P9 WeakPolarHBondContact O-CD 3.48Å; P9-T13 WeakPolarHBondContact O-CB 3.39Å; P9-T13 WeakPolarHBondContact O-CG2 3.13Å; P9-T13 PolarHBondContact O-N 2.9Å; P9-T13 PolarHBondContact O-OG1 3.05Å
10	L	56	Low	56	Low	113 Å²	113	111 Å²	111	59%	0.592	64%	0.639	S	S	*	*	H	α-helix	trans	-76.2	-40.7	-180	-135.5	166.8	0	0	0	110.9	S7 L8 T13 L14	S7-L10 PolarHBondContact O-N 2.82Å; S7-L10 VanDerWaalsContact O-N 3.14Å; L8-L10 PolarHBondContact O-N 3.3Å; L10-T13 WeakPolarHBondContact CA-OG1 3.47Å; L10-T13 PolarHBondContact O-OG1 3.42Å; L10-L14 HydrophobicContact CD2-CD1 3.76Å; L10-L14 HydrophobicContact CD2-CG 4.09Å; L10-L14 WeakPolarHBondContact O-CB 3.44Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.09Å
11	A	59.6	Low	56	Low	54 Å²	54	108.4 Å²	108.4	45%	0.446	63%	0.631	S	S	.	*	H	α-helix	trans	-63.4	-43.4	171.5	0	0	0	0	0	112.2	S7 L8 L15	S7-A11 PolarHBondContact O-N 3.38Å; L8-A11 PolarHBondContact O-N 3.43Å; A11-L15 WeakPolarHBondContact O-CB 3.37Å; A11-L15 WeakPolarHBondContact O-CG 3.49Å; A11-L15 PolarHBondContact O-N 2.92Å
12	A	64.8	Low	56.5	Low	58 Å²	58	103.1 Å²	103.1	48%	0.479	61%	0.607	S	S	.	*	H	α-helix	trans	-65.5	-41.7	178.9	0	0	0	0	0	112.7	L8 L15 A16	L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 3.03Å; A12-L15 PolarHBondContact O-N 3.15Å; A12-A16 WeakPolarHBondContact O-CB 3.44Å; A12-A16 PolarHBondContact O-N 3.01Å
13	T	67.4	Low	56.7	Low	87 Å²	87	99.9 Å²	99.9	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-70.4	-37.2	177.4	46.4	0	0	0	0	112.7	P9 L10 A16 A17	P9-T13 WeakPolarHBondContact O-CB 3.39Å; P9-T13 WeakPolarHBondContact O-CG2 3.13Å; P9-T13 PolarHBondContact O-N 2.9Å; P9-T13 PolarHBondContact O-OG1 3.05Å; L10-T13 WeakPolarHBondContact CA-OG1 3.47Å; L10-T13 PolarHBondContact O-OG1 3.42Å; T13-A16 PolarHBondContact O-N 3.2Å; T13-A17 WeakPolarHBondContact O-CB 3.29Å; T13-A17 PolarHBondContact O-N 3.15Å
14	L	68.3	Low	56.9	Low	113 Å²	113	105.3 Å²	105.3	59%	0.592	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-42	171.7	-74.7	170.3	0	0	0	112.2	L10 A17 L18	L10-L14 HydrophobicContact CD2-CD1 3.76Å; L10-L14 HydrophobicContact CD2-CG 4.09Å; L10-L14 WeakPolarHBondContact O-CB 3.44Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 3.35Å; L14-L18 WeakPolarHBondContact O-CB 3.44Å; L14-L18 PolarHBondContact O-N 3Å
15	L	64.8	Low	56.8	Low	104 Å²	104	101.2 Å²	101.2	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-64	-43.3	173.8	-78.7	166.5	0	0	0	111.9	A11 A12 L18 W19	A11-L15 WeakPolarHBondContact O-CB 3.37Å; A11-L15 WeakPolarHBondContact O-CG 3.49Å; A11-L15 PolarHBondContact O-N 2.92Å; A12-L15 PolarHBondContact O-N 3.15Å; L15-L18 PolarHBondContact O-N 2.94Å; L15-W19 WeakPolarHBondContact O-CB 3.24Å; L15-W19 PolarHBondContact O-N 3.22Å
16	A	68.1	Low	56.9	Low	50 Å²	50	98 Å²	98	41%	0.413	58%	0.584	S	S	.	*	H	α-helix	trans	-63	-42	176	0	0	0	0	0	112.2	A12 T13 W19 L20	A12-A16 WeakPolarHBondContact O-CB 3.44Å; A12-A16 PolarHBondContact O-N 3.01Å; T13-A16 PolarHBondContact O-N 3.2Å; A16-W19 PolarHBondContact O-N 2.97Å; A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 WeakPolarHBondContact O-CG 3.42Å; A16-L20 PolarHBondContact O-N 3.24Å
17	A	65.2	Low	56.6	Low	57 Å²	57	98 Å²	98	47%	0.471	59%	0.59	S	S	.	*	H	α-helix	trans	-63.9	-40.9	174.8	0	0	0	0	0	112.1	T13 L14 L20 A21	T13-A17 WeakPolarHBondContact O-CB 3.29Å; T13-A17 PolarHBondContact O-N 3.15Å; L14-A17 PolarHBondContact O-N 3.35Å; A17-L20 PolarHBondContact O-N 3.01Å; A17-A21 WeakPolarHBondContact O-CB 3.44Å; A17-A21 PolarHBondContact O-N 2.89Å
18	L	61.9	Low	55.9	Low	99 Å²	99	100 Å²	100	52%	0.518	60%	0.604	S	S	.	*	H	α-helix	trans	-65.5	-40.4	175.9	-164.7	73.9	0	0	0	111.8	L14 L15 A21 L22	L14-L18 WeakPolarHBondContact O-CB 3.44Å; L14-L18 PolarHBondContact O-N 3Å; L15-L18 PolarHBondContact O-N 2.94Å; L18-A21 PolarHBondContact O-N 3.24Å; L18-L22 HydrophobicContact CG-CD1 4.09Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.9Å
19	W	59.5	Low	55.2	Low	186 Å²	186	101.8 Å²	101.8	71%	0.705	61%	0.609	S	S	*	*	H	α-helix	trans	-65.7	-37.5	173.3	-92.3	85.3	0	0	0	112.7	L15 A16 G23	L15-W19 WeakPolarHBondContact O-CB 3.24Å; L15-W19 PolarHBondContact O-N 3.22Å; A16-W19 PolarHBondContact O-N 2.97Å; W19-G23 WeakPolarHBondContact O-CA 3.25Å; W19-G23 PolarHBondContact O-N 3.22Å
20	L	59.3	Low	54.2	Low	113 Å²	113	101.9 Å²	101.9	59%	0.592	61%	0.612	S	S	*	*	H	α-helix	trans	-69.8	-36.7	174.4	-75.1	166.8	0	0	0	112.3	A16 A17 R24	A16-L20 WeakPolarHBondContact O-CB 3.49Å; A16-L20 WeakPolarHBondContact O-CG 3.42Å; A16-L20 PolarHBondContact O-N 3.24Å; A17-L20 PolarHBondContact O-N 3.01Å; L20-R24 WeakPolarHBondContact O-CB 3.49Å; L20-R24 WeakPolarHBondContact O-CG 3.29Å; L20-R24 PolarHBondContact O-N 3.4Å
21	A	55.1	Low	53.6	Low	57 Å²	57	102 Å²	102	47%	0.471	61%	0.613	S	S	.	*	H	α-helix	trans	-66	-52.2	174	0	0	0	0	0	111.4	A17 L18 G23 R24 C25	A17-A21 WeakPolarHBondContact O-CB 3.44Å; A17-A21 PolarHBondContact O-N 2.89Å; L18-A21 PolarHBondContact O-N 3.24Å; A21-G23 VanDerWaalsContact C-N 3.3Å; A21-G23 PolarHBondContact O-N 2.99Å; A21-R24 PolarHBondContact O-N 2.98Å; A21-C25 PolarHBondContact O-N 3.44Å; A21-C25 PolarHBondContact O-SG 3.11Å; A21-C25 VanDerWaalsContact O-SG 3.42Å
22	L	55.4	Low	53.2	Low	120 Å²	120	100.3 Å²	100.3	63%	0.628	60%	0.6	S	S	*	*	H	α-helix	trans	-63.8	-34.7	177.1	-71.4	166.8	0	0	0	112.4	L18 R24 C25	L18-L22 HydrophobicContact CG-CD1 4.09Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.9Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-C25 PolarHBondContact O-N 2.67Å
23	G	44.6	Very low	52.7	Low	58 Å²	58	100 Å²	100	60%	0.598	59%	0.593	S	S	*	*	H	α-helix	trans	-69.2	-28	175	0	0	0	0	0	114	W19 A21	W19-G23 WeakPolarHBondContact O-CA 3.25Å; W19-G23 PolarHBondContact O-N 3.22Å; A21-G23 VanDerWaalsContact C-N 3.3Å; A21-G23 PolarHBondContact O-N 2.99Å
24	R	44.1	Very low	52.7	Low	216 Å²	216	99.1 Å²	99.1	82%	0.815	60%	0.601	S	S	*	*	H	α-helix	trans	-90.3	-1.1	176.1	-73.9	-175.1	175.9	-154.1	-0.2	114.6	L20 A21 L22 G26	L20-R24 WeakPolarHBondContact O-CB 3.49Å; L20-R24 WeakPolarHBondContact O-CG 3.29Å; L20-R24 PolarHBondContact O-N 3.4Å; A21-R24 PolarHBondContact O-N 2.98Å; L22-R24 VanDerWaalsContact C-N 3.35Å; R24-G26 PolarHBondContact O-N 2.94Å
25	C	42.1	Very low	53.6	Low	112 Å²	112	95.4 Å²	95.4	76%	0.757	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-0.3	168.9	-69.7	0	0	0	0	113.7	A21 L22	A21-C25 PolarHBondContact O-N 3.44Å; A21-C25 PolarHBondContact O-SG 3.11Å; A21-C25 VanDerWaalsContact O-SG 3.42Å; L22-C25 PolarHBondContact O-N 2.67Å
26	G	44.3	Very low	54.8	Low	52 Å²	52	90.7 Å²	90.7	54%	0.536	56%	0.56	S	S	.	*	S	Bend	trans	-88.9	134.5	169.2	0	0	0	0	0	112.2	R24	R24-G26 PolarHBondContact O-N 2.94Å
27	A	45.2	Very low	55.7	Low	107 Å²	107	90.4 Å²	90.4	88%	0.884	55%	0.551	S	S	*	*	S	Bend	trans	61.6	69.1	169.6	0	0	0	0	0	117.3
28	S	38.8	Very low	56.8	Low	121 Å²	121	87.8 Å²	87.8	85%	0.846	53%	0.529	S	S	*	.			trans	-141.2	51.8	137.3	-158.4	0	0	0	0	111.3	S30	S28-S30 PolarHBondContact O-N 2.97Å
29	E	37.5	Very low	58	Low	178 Å²	178	86.7 Å²	86.7	83%	0.832	52%	0.52	S	S	*	.			trans	-63.3	121.6	151.5	-71.7	-169	129.2	0	0	106.9	L31	E29-L31 PolarHBondContact O-N 3.29Å
30	S	37	Very low	59.4	Low	85 Å²	85	82.5 Å²	82.5	59%	0.594	51%	0.511	S	S	*	.			trans	-70.2	86.3	177.1	74.2	0	0	0	0	109.5	S28 G32	S28-S30 PolarHBondContact O-N 2.97Å; S30-G32 PolarHBondContact O-N 3.13Å
31	L	43.4	Very low	60.8	Low	116 Å²	116	83.4 Å²	83.4	61%	0.607	51%	0.508	S	S	*	.			trans	-53.8	114.4	173.9	-161.5	74	0	0	0	107.5	E29	E29-L31 PolarHBondContact O-N 3.29Å
32	G	50.8	Low	62.4	Low	18 Å²	18	81.3 Å²	81.3	19%	0.186	49%	0.489	C	S	.	.			trans	-54.9	141.9	162.7	0	0	0	0	0	108	S30 G34	S30-G32 PolarHBondContact O-N 3.13Å; G32-G34 PolarHBondContact O-N 2.91Å; G32-G34 VanDerWaalsContact O-N 3.07Å
33	P	54.8	Low	63.9	Low	52 Å²	52	81.3 Å²	81.3	34%	0.338	49%	0.489	S	S	.	.			trans	-40.3	117	-165.7	-33.4	34.6	0	0	0	112.3	C35 D36 E81 P102	P33-C35 PolarHBondContact O-N 3.42Å; P33-D36 PolarHBondContact O-N 3.35Å; P33-E81 WeakPolarHBondContact CG-OE2 3.24Å; P33-P102 HydrophobicContact CB-CB 4.15Å; P33-P102 HydrophobicContact CB-CG 3.94Å; P33-P102 HydrophobicContact CG-CB 3.89Å; P33-P102 HydrophobicContact CG-CG 4.05Å
34	G	66.9	Low	66.1	Low	67 Å²	67	83.2 Å²	83.2	69%	0.691	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-10.9	-160.8	0	0	0	0	0	115.7	G32	G32-G34 PolarHBondContact O-N 2.91Å; G32-G34 VanDerWaalsContact O-N 3.07Å
35	C	86.9	Confident	68.3	Low	36 Å²	36	73.4 Å²	73.4	24%	0.243	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.1	172.3	62.8	0	0	0	0	115.5	P33 C83 M84	P33-C35 PolarHBondContact O-N 3.42Å; C35-C83 HydrophobicContact CB-CB 3.42Å; C35-C83 VanDerWaalsContact CB-CB 3.42Å; C35-C83 WeakPolarHBondContact CB-SG 3.41Å; C35-C83 WeakPolarHBondContact SG-CA 3.39Å; C35-C83 WeakPolarHBondContact SG-CB 3.24Å; C35-C83 CovalentContact SG-SG 2.03Å; C35-C83 PolarHBondContact SG-SG 3.27Å; C35-M84 VanDerWaalsContact O-CG 3.32Å; C35-M84 WeakPolarHBondContact O-CG 3.46Å
36	D	89.5	Confident	70.5	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.027	41%	0.413	C	S	.	.			trans	-142.6	121.7	175.3	-178.4	25.8	0	0	0	112.8	P33 G38 M84 P102 V103 R117	P33-D36 PolarHBondContact O-N 3.35Å; D36-G38 PolarHBondContact OD1-N 3.02Å; D36-M84 HydrophobicContact CB-CG 4.13Å; D36-P102 HydrophobicContact CB-CB 4.27Å; D36-P102 HydrophobicContact CB-CG 3.98Å; D36-P102 WeakPolarHBondContact OD2-CD 3.49Å; D36-V103 WeakPolarHBondContact O-CG2 3.37Å; D36-V103 VanDerWaalsContact OD2-CB 3.29Å; D36-V103 WeakPolarHBondContact OD2-CB 3.36Å; D36-V103 PolarHBondContact OD2-N 3.41Å; D36-R117 VanDerWaalsContact CG-NH1 3.28Å; D36-R117 IonicContact OD1-CZ 4Å; D36-R117 IonicContact OD1-NH1 2.55Å; D36-R117 PolarHBondContact OD1-NH1 3.02Å; D36-R117 IonicContact OD1-NH2 2.7Å; D36-R117 PolarHBondContact OD1-NH2 3.23Å; D36-R117 IonicContact OD2-CZ 3.82Å; D36-R117 IonicContact OD2-NH1 2.66Å; D36-R117 PolarHBondContact OD2-NH1 3.26Å; D36-R117 IonicContact OD2-NH2 3.79Å
37	N	87.8	Confident	72.4	Confident	44 Å²	44	69.3 Å²	69.3	24%	0.235	40%	0.403	C	S	.	.			trans	-115.3	4.3	174.3	66.2	6.7	0	0	0	113.5	K39 L40	N37-K39 PolarHBondContact O-N 2.85Å; N37-K39 PolarHBondContact OD1-N 3.17Å; N37-L40 WeakPolarHBondContact ND2-CD1 3.25Å; N37-L40 PolarHBondContact OD1-N 3.46Å
38	G	88.3	Confident	74	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.01	40%	0.404	C	S	.	.	S	Bend	trans	68.1	10.6	-176.7	0	0	0	0	0	115.5	D36	D36-G38 PolarHBondContact OD1-N 3.02Å
39	K	87.4	Confident	75.7	Confident	76 Å²	76	69.4 Å²	69.4	33%	0.33	38%	0.384	S	S	.	.	S	Bend	trans	-129.4	-30.4	-178	-69	-177.4	-179.3	168.9	0	114.7	N37 D515 D517	N37-K39 PolarHBondContact O-N 2.85Å; N37-K39 PolarHBondContact OD1-N 3.17Å; K39-D515 WeakPolarHBondContact CD-OD1 3.34Å; K39-D515 VanDerWaalsContact CE-OD1 3.24Å; K39-D515 WeakPolarHBondContact CE-OD1 3.27Å; K39-D515 PolarHBondContact NZ-O 3.49Å; K39-D515 IonicContact NZ-OD1 3.76Å; K39-D515 PolarHBondContact NZ-OD1 2.96Å; K39-D517 IonicContact NZ-OD1 3.87Å
40	L	87.6	Confident	77.4	Confident	98 Å²	98	61.1 Å²	61.1	51%	0.513	35%	0.346	S	S	.	.	S	Bend	trans	-96.6	157.2	178.6	-63.4	176	0	0	0	112.1	N37 L42	N37-L40 WeakPolarHBondContact ND2-CD1 3.25Å; N37-L40 PolarHBondContact OD1-N 3.46Å; L40-L42 PolarHBondContact O-N 3.09Å
41	Y	88.6	Confident	79	Confident	133 Å²	133	59.6 Å²	59.6	52%	0.522	33%	0.333	S	S	.	.	S	Bend	trans	52.7	24	176.3	-52.8	-62.2	0	0	0	115.7	D43 R44 M84	Y41-D43 VanDerWaalsContact CA-OD1 3.26Å; Y41-D43 WeakPolarHBondContact CA-OD1 3.48Å; Y41-D43 PolarHBondContact O-N 3.39Å; Y41-R44 WeakPolarHBondContact O-CB 3.34Å; Y41-R44 WeakPolarHBondContact O-CG 3.36Å; Y41-R44 PolarHBondContact O-N 3.19Å; Y41-M84 HydrophobicContact CD2-CB 4.28Å; Y41-M84 WeakPolarHBondContact O-CE 3.34Å
42	L	89.4	Confident	80.5	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.068	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.1	-176	-58.2	-177.1	0	0	0	112.8	L40 R44 D45 L46 Y210 F212	L40-L42 PolarHBondContact O-N 3.09Å; L42-R44 PolarHBondContact O-N 3.4Å; L42-R44 VanDerWaalsContact O-N 3.16Å; L42-D45 PolarHBondContact O-N 3.44Å; L42-L46 HydrophobicContact CB-CD1 3.77Å; L42-L46 WeakPolarHBondContact O-CB 3.49Å; L42-L46 WeakPolarHBondContact O-CD1 3.39Å; L42-L46 WeakPolarHBondContact O-CG 3.5Å; L42-L46 PolarHBondContact O-N 3.22Å; L42-Y210 HydrophobicContact CD1-CD2 4.47Å; L42-Y210 HydrophobicContact CD1-CE2 4.07Å; L42-Y210 HydrophobicContact CD2-CD2 3.97Å; L42-Y210 HydrophobicContact CD2-CE2 3.94Å; L42-F212 HydrophobicContact CD1-CB 3.68Å; L42-F212 HydrophobicContact CD1-CD1 4.15Å; L42-F212 HydrophobicContact CD1-CD2 4.13Å; L42-F212 HydrophobicContact CD1-CG 3.74Å
43	D	88.1	Confident	81.4	Confident	119 Å²	119	64.1 Å²	64.1	64%	0.636	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-52.4	-23.7	169	48.5	-73.4	0	0	0	114.1	Y41	Y41-D43 VanDerWaalsContact CA-OD1 3.26Å; Y41-D43 WeakPolarHBondContact CA-OD1 3.48Å; Y41-D43 PolarHBondContact O-N 3.39Å
44	R	89.1	Confident	82.1	Confident	98 Å²	98	64 Å²	64	37%	0.37	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-76	-26.7	175.1	-62.7	179.7	165	-126.6	-2.3	114.4	Y41 L42 M84 D85 L87	Y41-R44 WeakPolarHBondContact O-CB 3.34Å; Y41-R44 WeakPolarHBondContact O-CG 3.36Å; Y41-R44 PolarHBondContact O-N 3.19Å; L42-R44 PolarHBondContact O-N 3.4Å; L42-R44 VanDerWaalsContact O-N 3.16Å; R44-M84 WeakPolarHBondContact CD-O 3.24Å; R44-M84 PolarHBondContact NE-O 2.96Å; R44-M84 PolarHBondContact NH1-O 3.46Å; R44-D85 PolarHBondContact NH1-O 3.37Å; R44-L87 HydrophobicContact CB-CD2 4.4Å
45	D	90.8	Very high	82.6	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.059	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-18.8	179.2	-65.6	-20	0	0	0	111.8	L42 R101 P114 R117	L42-D45 PolarHBondContact O-N 3.44Å; D45-R101 IonicContact OD1-CZ 3.25Å; D45-R101 VanDerWaalsContact OD1-CZ 3.22Å; D45-R101 IonicContact OD1-NE 2.74Å; D45-R101 PolarHBondContact OD1-NE 3.22Å; D45-R101 IonicContact OD1-NH2 2.85Å; D45-R101 PolarHBondContact OD1-NH2 3.24Å; D45-R101 WeakPolarHBondContact OD2-CG 3.44Å; D45-R101 IonicContact OD2-NE 3.62Å; D45-R101 PolarHBondContact OD2-NE 3.25Å; D45-R101 VanDerWaalsContact OD2-NE 3.11Å; D45-P114 HydrophobicContact CB-CB 4Å; D45-P114 HydrophobicContact CB-CG 3.83Å; D45-P114 WeakPolarHBondContact O-CB 3.44Å; D45-R117 IonicContact OD2-NE 2.75Å; D45-R117 IonicContact OD2-NH2 2.71Å
46	L	89.5	Confident	81.9	Confident	28 Å²	28	71.7 Å²	71.7	15%	0.147	36%	0.363	C	S	.	.	S	Bend	trans	-100.9	118.7	-173.3	-68.9	170.6	0	0	0	111.8	L42 Y112 P114 F212 L213	L42-L46 HydrophobicContact CB-CD1 3.77Å; L42-L46 WeakPolarHBondContact O-CB 3.49Å; L42-L46 WeakPolarHBondContact O-CD1 3.39Å; L42-L46 WeakPolarHBondContact O-CG 3.5Å; L42-L46 PolarHBondContact O-N 3.22Å; L46-Y112 HydrophobicContact CD2-CD1 3.77Å; L46-Y112 HydrophobicContact CD2-CE1 4.18Å; L46-P114 HydrophobicContact CD2-CG 4.18Å; L46-F212 HydrophobicContact CD1-CD1 3.62Å; L46-F212 HydrophobicContact CD1-CE1 3.51Å; L46-L213 HydrophobicContact CD2-CD1 4.39Å
47	P	83.8	Confident	80.9	Confident	49 Å²	49	74.6 Å²	74.6	32%	0.318	38%	0.38	S	S	.	.			trans	-66.1	145.5	171.4	27.5	-30.3	0	0	0	110.4	D49 A50 W53 Y112	P47-D49 PolarHBondContact O-N 3.33Å; P47-A50 HydrophobicContact CG-CB 4.1Å; P47-A50 VanDerWaalsContact O-CB 3.23Å; P47-A50 WeakPolarHBondContact O-CB 3.01Å; P47-A50 PolarHBondContact O-N 2.85Å; P47-W53 HydrophobicContact CB-CZ2 4.38Å; P47-W53 HydrophobicContact CG-CH2 3.92Å; P47-W53 HydrophobicContact CG-CZ2 3.47Å; P47-W53 VanDerWaalsContact CG-CZ2 3.47Å; P47-Y112 VanDerWaalsContact CD-CE1 3.44Å; P47-Y112 HydrophobicContact CG-CE1 4.02Å
48	T	78.2	Confident	79.4	Confident	149 Å²	149	85 Å²	85	91%	0.914	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.9	-173.2	-43.3	0	0	0	0	113.7
49	D	75.3	Confident	77.8	Confident	81 Å²	81	89.3 Å²	89.3	43%	0.433	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7.4	-177	74.9	-30.6	0	0	0	114.5	P47 V51 Y52 W53	P47-D49 PolarHBondContact O-N 3.33Å; D49-V51 PolarHBondContact O-N 2.98Å; D49-Y52 WeakPolarHBondContact O-CA 2.96Å; D49-Y52 PolarHBondContact O-N 3.44Å; D49-W53 PolarHBondContact O-NE1 3.26Å; D49-W53 PolarHBondContact OD1-NE1 2.96Å; D49-W53 VanDerWaalsContact OD2-CD1 3.26Å; D49-W53 PolarHBondContact OD2-NE1 3.41Å
50	A	73.4	Confident	76.1	Confident	4 Å²	4	91 Å²	91	3%	0.033	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-19.1	-178.9	0	0	0	0	0	115.6	P47 Y112 L213	P47-A50 HydrophobicContact CG-CB 4.1Å; P47-A50 VanDerWaalsContact O-CB 3.23Å; P47-A50 WeakPolarHBondContact O-CB 3.01Å; P47-A50 PolarHBondContact O-N 2.85Å; A50-Y112 HydrophobicContact CB-CD1 3.72Å; A50-Y112 HydrophobicContact CB-CE1 4.48Å; A50-Y112 HydrophobicContact CB-CG 4.22Å; A50-L213 HydrophobicContact CB-CD1 4.35Å
51	V	70.7	Confident	74.3	Confident	53 Å²	53	91.1 Å²	91.1	32%	0.321	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-24.5	175.3	-178.3	0	0	0	0	112	D49 L111 L213 R532	D49-V51 PolarHBondContact O-N 2.98Å; V51-L111 HydrophobicContact CG1-CD2 4.23Å; V51-L213 HydrophobicContact CG2-CD2 4.39Å; V51-R532 PolarHBondContact O-NH2 3.13Å
52	Y	73.7	Confident	72.2	Confident	185 Å²	185	94.7 Å²	94.7	73%	0.725	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	3.4	-169	-61.8	-74.2	0	0	0	114.6	D49 G54	D49-Y52 WeakPolarHBondContact O-CA 2.96Å; D49-Y52 PolarHBondContact O-N 3.44Å; Y52-G54 VanDerWaalsContact C-N 3.31Å; Y52-G54 PolarHBondContact O-N 2.96Å
53	W	70.4	Confident	70.6	Confident	45 Å²	45	98.9 Å²	98.9	17%	0.17	51%	0.509	C	S	.	.			trans	-65.5	84.3	175.4	-64.3	-4.3	0	0	0	112.7	P47 D49 Y112 P133 P158 P160	P47-W53 HydrophobicContact CB-CZ2 4.38Å; P47-W53 HydrophobicContact CG-CH2 3.92Å; P47-W53 HydrophobicContact CG-CZ2 3.47Å; P47-W53 VanDerWaalsContact CG-CZ2 3.47Å; D49-W53 PolarHBondContact O-NE1 3.26Å; D49-W53 PolarHBondContact OD1-NE1 2.96Å; D49-W53 VanDerWaalsContact OD2-CD1 3.26Å; D49-W53 PolarHBondContact OD2-NE1 3.41Å; W53-Y112 AromaticContact CE3-CD2 3.92Å; W53-Y112 HydrophobicContact CE3-CD2 3.92Å; W53-Y112 HydrophobicContact CE3-CE2 4.35Å; W53-Y112 HydrophobicContact CE3-CG 4.35Å; W53-Y112 HydrophobicContact CH2-CD1 4.44Å; W53-Y112 AromaticContact CH2-CD2 3.75Å; W53-Y112 HydrophobicContact CH2-CD2 3.75Å; W53-Y112 HydrophobicContact CH2-CE1 4.14Å; W53-Y112 AromaticContact CH2-CE2 3.4Å; W53-Y112 HydrophobicContact CH2-CE2 3.4Å; W53-Y112 VanDerWaalsContact CH2-CE2 3.4Å; W53-Y112 HydrophobicContact CH2-CG 4.24Å; W53-Y112 AromaticContact CH2-CZ 3.57Å; W53-Y112 HydrophobicContact CZ3-CD1 4.46Å; W53-Y112 AromaticContact CZ3-CD2 3.15Å; W53-Y112 HydrophobicContact CZ3-CD2 3.15Å; W53-Y112 HydrophobicContact CZ3-CE1 4.48Å; W53-Y112 AromaticContact CZ3-CE2 3.19Å; W53-Y112 HydrophobicContact CZ3-CE2 3.19Å; W53-Y112 AromaticContact CZ3-CG 3.82Å; W53-Y112 HydrophobicContact CZ3-CG 3.82Å; W53-Y112 AromaticContact CZ3-CZ 3.87Å; W53-P133 HydrophobicContact CB-CG 4.39Å; W53-P158 HydrophobicContact CE3-CB 4.43Å; W53-P158 HydrophobicContact CE3-CG 4.11Å; W53-P160 HydrophobicContact CD2-CG 3.43Å; W53-P160 VanDerWaalsContact CD2-CG 3.43Å; W53-P160 VanDerWaalsContact CE3-CD 3.47Å; W53-P160 HydrophobicContact CE3-CG 3.38Å; W53-P160 HydrophobicContact CG-CG 4.06Å; W53-P160 HydrophobicContact CH2-CG 3.76Å; W53-P160 HydrophobicContact CZ2-CG 3.82Å; W53-P160 HydrophobicContact CZ3-CG 3.53Å
54	G	69.4	Low	68.8	Low	48 Å²	48	95.7 Å²	95.7	50%	0.495	50%	0.499	S	S	.	.			trans	-126.9	155.2	165.4	0	0	0	0	0	110	Y52 K56	Y52-G54 VanDerWaalsContact C-N 3.31Å; Y52-G54 PolarHBondContact O-N 2.96Å; G54-K56 PolarHBondContact O-N 3.45Å
55	C	77.8	Confident	67.3	Low	54 Å²	54	99.3 Å²	99.3	37%	0.365	52%	0.52	S	S	.	.			trans	-63.4	129	179.2	-164.7	0	0	0	0	112.2	V57 C134	C55-V57 PolarHBondContact SG-O 3.24Å; C55-C134 VanDerWaalsContact CA-SG 3.55Å; C55-C134 HydrophobicContact CB-CB 3.75Å; C55-C134 WeakPolarHBondContact CB-SG 3.31Å; C55-C134 WeakPolarHBondContact SG-CB 3.37Å; C55-C134 CovalentContact SG-SG 2.02Å; C55-C134 PolarHBondContact SG-SG 2.82Å
56	K	71.9	Confident	66.2	Low	212 Å²	212	109.3 Å²	109.3	92%	0.922	56%	0.558	S	S	*	*	S	Bend	trans	-83.3	-12.3	175.9	-64.7	-178	-179.7	176.7	0	113.7	G54	G54-K56 PolarHBondContact O-N 3.45Å
57	V	67.5	Low	65.8	Low	66 Å²	66	112 Å²	112	40%	0.4	57%	0.572	S	S	.	*			trans	-116.5	142.1	-175.3	-177.6	0	0	0	0	109.5	C55	C55-V57 PolarHBondContact SG-O 3.24Å
58	R	56.3	Low	65.9	Low	261 Å²	261	114.2 Å²	114.2	99%	0.985	59%	0.586	S	S	*	*			trans	-98.4	-16.2	-175.2	-86.6	-172.1	171.3	-171.6	-0.6	115.8
59	S	55.5	Low	66.6	Low	93 Å²	93	108.6 Å²	108.6	65%	0.65	55%	0.553	S	S	*	*			trans	-123.2	125.3	-177.5	39	0	0	0	0	110.9
60	R	52	Low	67.5	Low	110 Å²	110	108.7 Å²	108.7	42%	0.415	55%	0.552	S	S	.	*			trans	-79.4	135.7	153.2	-171.7	-175.6	-178.6	101.7	4.7	106.1	R164	R60-R164 PolarHBondContact NH1-O 3.31Å
61	P	48.8	Very low	68.5	Low	101 Å²	101	111.7 Å²	111.7	66%	0.656	57%	0.568	S	S	*	*			trans	-62.4	138.7	167.5	27.4	-32.9	0	0	0	109	S63	P61-S63 PolarHBondContact O-N 3.25Å
62	E	45.3	Very low	69.7	Low	208 Å²	208	112 Å²	112	97%	0.972	57%	0.57	S	S	*	*	S	Bend	trans	-77.5	27.2	-171.9	-156.7	167.1	-172.2	0	0	113.3
63	S	55.2	Low	70.6	Confident	101 Å²	101	108.3 Å²	108.3	71%	0.706	57%	0.567	S	S	*	*			trans	-141.9	107.2	173.6	-173.9	0	0	0	0	109.5	P61	P61-S63 PolarHBondContact O-N 3.25Å
64	A	50.9	Low	71.4	Confident	52 Å²	52	107.7 Å²	107.7	43%	0.43	57%	0.568	S	S	.	*			trans	-136.8	122	156.2	0	0	0	0	0	105.5
65	Q	57.1	Low	72.4	Confident	174 Å²	174	112.1 Å²	112.1	81%	0.813	59%	0.586	S	S	*	*			trans	-57.1	146.8	169.9	-67.7	172.2	-12.4	0	0	108.5	L67	Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 3.43Å
66	R	67.2	Low	72.9	Confident	222 Å²	222	112.6 Å²	112.6	84%	0.838	59%	0.588	S	S	*	*			trans	-68.1	94	173	-77.6	-173	-178.6	139.3	0.3	108.8
67	L	81.3	Confident	73.8	Confident	84 Å²	84	106 Å²	106	44%	0.44	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-54.4	139.1	164.1	-68.8	161.9	0	0	0	108.7	Q65 D165 M166 T180	Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 3.43Å; L67-D165 HydrophobicContact CD1-CB 3.71Å; L67-M166 HydrophobicContact CB-SD 3.91Å; L67-M166 HydrophobicContact CD1-CG 4.43Å; L67-M166 HydrophobicContact CD1-SD 4.2Å; L67-T180 HydrophobicContact CB-CG2 3.83Å; L67-T180 WeakPolarHBondContact O-CG2 3.29Å
68	P	87.3	Confident	74.8	Confident	96 Å²	96	107 Å²	107	62%	0.623	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-62.7	159.7	174.3	29	-35.4	0	0	0	110.4	M166	P68-M166 WeakPolarHBondContact O-CE 3.04Å
69	S	91.9	Very high	76.5	Confident	31 Å²	31	96.5 Å²	96.5	22%	0.217	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-63	149.6	170.3	70.2	0	0	0	0	111	E178 E186	S69-E178 WeakPolarHBondContact CA-O 3.34Å; S69-E186 WeakPolarHBondContact CB-OE1 3.41Å; S69-E186 WeakPolarHBondContact CB-OE2 3.24Å; S69-E186 PolarHBondContact OG-OE1 3.34Å
70	I	94.1	Very high	78.3	Confident	83 Å²	83	100.1 Å²	100.1	43%	0.426	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	94.6	176.7	-59.3	171.2	0	0	0	107.9	M166 L177 E178	I70-M166 HydrophobicContact CB-CE 4.45Å; I70-M166 HydrophobicContact CD1-CE 4.02Å; I70-M166 HydrophobicContact CG1-CE 3.94Å; I70-L177 WeakPolarHBondContact O-CA 3.21Å; I70-E178 HydrophobicContact CB-CB 4.38Å; I70-E178 PolarHBondContact N-O 2.62Å; I70-E178 PolarHBondContact O-N 2.54Å
71	D	95.4	Very high	80.2	Confident	67 Å²	67	99.5 Å²	99.5	36%	0.358	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.6	172.5	-174.2	21.8	0	0	0	110	R175 T176 L177 W190	D71-R175 WeakPolarHBondContact OD1-CG 3.5Å; D71-R175 IonicContact OD1-CZ 2.8Å; D71-R175 IonicContact OD1-NE 3.96Å; D71-R175 PolarHBondContact OD1-NE 3.35Å; D71-R175 IonicContact OD1-NH2 3.59Å; D71-R175 IonicContact OD2-CZ 3.22Å; D71-R175 VanDerWaalsContact OD2-CZ 3.28Å; D71-R175 IonicContact OD2-NE 2.93Å; D71-R175 PolarHBondContact OD2-NE 3.45Å; D71-R175 VanDerWaalsContact OD2-NE 3.14Å; D71-R175 IonicContact OD2-NH2 2.72Å; D71-R175 PolarHBondContact OD2-NH2 2.99Å; D71-T176 CarbonylContact C-O 3.58Å; D71-T176 WeakPolarHBondContact CA-O 3.32Å; D71-L177 HydrophobicContact CB-CD1 3.79Å; D71-W190 VanDerWaalsContact OD1-CD1 3.29Å; D71-W190 PolarHBondContact OD1-NE1 2.04Å
72	T	94.8	Very high	82.4	Confident	58 Å²	58	96.9 Å²	96.9	36%	0.356	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.2	-180	-54.1	0	0	0	0	109.7	R175 T176	T72-R175 VanDerWaalsContact O-CA 3.32Å; T72-R175 WeakPolarHBondContact O-CA 3.23Å; T72-R175 WeakPolarHBondContact O-CG 3.21Å; T72-T176 PolarHBondContact N-O 2.94Å; T72-T176 PolarHBondContact O-N 3.36Å
73	V	93.7	Very high	84.6	Confident	109 Å²	109	89 Å²	89	66%	0.661	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.4	170	-177.9	0	0	0	0	108.3	R175	V73-R175 HydrophobicContact CG2-CG 4.06Å
74	C	87.4	Confident	86.3	Confident	31 Å²	31	84.3 Å²	84.3	21%	0.209	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-100.3	142.4	177.6	-54.1	0	0	0	0	110.1	P76 G174	C74-P76 VanDerWaalsContact O-CD 3.31Å; C74-P76 WeakPolarHBondContact O-CD 3.29Å; C74-G174 PolarHBondContact N-O 3.47Å
75	V	89.5	Confident	88.1	Confident	142 Å²	142	86 Å²	86	86%	0.861	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-63.9	117.6	161.5	-179.6	0	0	0	0	107.2	E77	V75-E77 PolarHBondContact O-N 3.14Å
76	P	87.3	Confident	89.7	Confident	64 Å²	64	85.4 Å²	85.4	42%	0.416	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-75.6	126.8	-168.1	27.5	-33.3	0	0	0	111.7	C74 S97	C74-P76 VanDerWaalsContact O-CD 3.31Å; C74-P76 WeakPolarHBondContact O-CD 3.29Å; P76-S97 WeakPolarHBondContact CA-OG 3.41Å
77	E	90.7	Very high	90.8	Very high	73 Å²	73	80.9 Å²	80.9	34%	0.341	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-63.5	143.1	171	-72.9	-165.5	162.9	0	0	110.5	V75 A79 K91 S97 G98 W173	V75-E77 PolarHBondContact O-N 3.14Å; E77-A79 PolarHBondContact O-N 3.36Å; E77-K91 IonicContact OE1-NZ 3.46Å; E77-K91 PolarHBondContact OE1-NZ 3.17Å; E77-S97 PolarHBondContact N-OG 3.06Å; E77-G98 PolarHBondContact O-N 2.98Å; E77-G98 VanDerWaalsContact O-N 3.14Å; E77-W173 WeakPolarHBondContact O-CZ2 3.27Å
78	P	90.3	Very high	91.5	Very high	88 Å²	88	77.4 Å²	77.4	57%	0.571	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-56.4	131.2	-174.9	-27.9	35.5	0	0	0	113.7	R80	P78-R80 PolarHBondContact O-N 2.96Å
79	A	92	Very high	91.7	Very high	40 Å²	40	78.2 Å²	78.2	33%	0.331	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-60.7	121.7	172.5	0	0	0	0	0	110.4	E77 F100 W173	E77-A79 PolarHBondContact O-N 3.36Å; A79-F100 HydrophobicContact CB-CE1 3.77Å; A79-F100 HydrophobicContact CB-CZ 4.15Å; A79-W173 HydrophobicContact CB-CH2 3.85Å; A79-W173 HydrophobicContact CB-CZ2 3.84Å
80	R	92.3	Very high	91.7	Very high	168 Å²	168	79.2 Å²	79.2	63%	0.634	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	126.7	178.1	-66.8	-177	179.9	-176	0.2	109.9	P78 A99 F100	P78-R80 PolarHBondContact O-N 2.96Å; R80-A99 HydrophobicContact CB-CB 4.19Å; R80-A99 CarbonylContact O-C 3.55Å; R80-A99 VanDerWaalsContact O-CA 3.24Å; R80-A99 WeakPolarHBondContact O-CA 3.24Å; R80-A99 WeakPolarHBondContact O-CB 3.45Å; R80-F100 PolarHBondContact O-N 3.14Å
81	E	92.8	Very high	91.5	Very high	97 Å²	97	83.1 Å²	83.1	45%	0.453	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.4	172.8	-74.3	-176	-166	0	0	110	P33 F100 P102	P33-E81 WeakPolarHBondContact CG-OE2 3.24Å; E81-F100 CarbonylContact C-O 3.58Å; E81-F100 WeakPolarHBondContact CA-O 3.45Å; E81-F100 HydrophobicContact CG-CD2 4.08Å; E81-F100 HydrophobicContact CG-CE2 3.57Å; E81-F100 HydrophobicContact CG-CZ 4.45Å; E81-P102 HydrophobicContact CB-CG 4.25Å
82	I	93.4	Very high	91.2	Very high	47 Å²	47	85.5 Å²	85.5	24%	0.241	45%	0.447	C	S	.	.			trans	-124.7	117	-179.2	-63.7	-174.3	0	0	0	110.8	I88 A99 F100 R101	I82-I88 HydrophobicContact CB-CD1 3.82Å; I82-I88 HydrophobicContact CB-CG1 4.1Å; I82-I88 HydrophobicContact CD1-CG1 4.4Å; I82-I88 HydrophobicContact CG2-CD1 4.2Å; I82-I88 HydrophobicContact CG2-CG1 3.98Å; I82-A99 HydrophobicContact CD1-CB 3.47Å; I82-A99 VanDerWaalsContact CD1-CB 3.47Å; I82-A99 HydrophobicContact CG1-CB 3.98Å; I82-F100 PolarHBondContact N-O 3.34Å; I82-R101 VanDerWaalsContact O-CD 3.3Å; I82-R101 WeakPolarHBondContact O-CD 3.44Å; I82-R101 PolarHBondContact O-NH1 3.34Å
83	C	92.2	Very high	91.1	Very high	42 Å²	42	86.2 Å²	86.2	28%	0.284	45%	0.454	S	S	.	.			trans	-51.3	151.1	174.3	-72.1	0	0	0	0	113.9	C35 D85 Y86 R101	C35-C83 HydrophobicContact CB-CB 3.42Å; C35-C83 VanDerWaalsContact CB-CB 3.42Å; C35-C83 WeakPolarHBondContact CB-SG 3.41Å; C35-C83 WeakPolarHBondContact SG-CA 3.39Å; C35-C83 WeakPolarHBondContact SG-CB 3.24Å; C35-C83 CovalentContact SG-SG 2.03Å; C35-C83 PolarHBondContact SG-SG 3.27Å; C83-D85 PolarHBondContact O-N 3.49Å; C83-Y86 PolarHBondContact O-N 2.71Å; C83-Y86 VanDerWaalsContact O-N 3.16Å; C83-R101 PolarHBondContact O-NH1 2.84Å
84	M	90.9	Very high	91.2	Very high	2 Å²	2	81.7 Å²	81.7	1%	0.01	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.2	-177.2	-65.4	-54.2	-65.4	0	0	113.6	C35 D36 Y41 R44 Y86 R101 R117	C35-M84 VanDerWaalsContact O-CG 3.32Å; C35-M84 WeakPolarHBondContact O-CG 3.46Å; D36-M84 HydrophobicContact CB-CG 4.13Å; Y41-M84 HydrophobicContact CD2-CB 4.28Å; Y41-M84 WeakPolarHBondContact O-CE 3.34Å; R44-M84 WeakPolarHBondContact CD-O 3.24Å; R44-M84 PolarHBondContact NE-O 2.96Å; R44-M84 PolarHBondContact NH1-O 3.46Å; M84-Y86 PolarHBondContact O-N 2.97Å; M84-Y86 VanDerWaalsContact O-N 3.1Å; M84-R101 HydrophobicContact SD-CG 4.04Å; M84-R117 PolarHBondContact SD-NH2 3.24Å
85	D	88.4	Confident	91.6	Very high	88 Å²	88	80.5 Å²	80.5	47%	0.471	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.2	-179.9	-47.3	-74.1	0	0	0	114	R44 C83	R44-D85 PolarHBondContact NH1-O 3.37Å; C83-D85 PolarHBondContact O-N 3.49Å
86	Y	90.6	Very high	91.8	Very high	161 Å²	161	74 Å²	74	63%	0.631	38%	0.379	S	S	*	.	S	Bend	trans	-116	148.2	177	-60.1	-88.6	0	0	0	112.5	C83 M84 R101	C83-Y86 PolarHBondContact O-N 2.71Å; C83-Y86 VanDerWaalsContact O-N 3.16Å; M84-Y86 PolarHBondContact O-N 2.97Å; M84-Y86 VanDerWaalsContact O-N 3.1Å; Y86-R101 PolarHBondContact O-NH1 3.05Å; Y86-R101 PolarHBondContact O-NH2 2.7Å
87	L	91.8	Very high	92.2	Very high	127 Å²	127	71.5 Å²	71.5	67%	0.665	36%	0.363	S	S	*	.			trans	-78.4	148.3	167.7	-61.4	178.1	0	0	0	110	R44	R44-L87 HydrophobicContact CB-CD2 4.4Å
88	I	94.4	Very high	92.4	Very high	11 Å²	11	68 Å²	68	6%	0.056	35%	0.347	C	S	.	.			trans	-117.9	102.1	174.2	-47.3	177.8	0	0	0	108.4	I82 Y90 A99 Q116	I82-I88 HydrophobicContact CB-CD1 3.82Å; I82-I88 HydrophobicContact CB-CG1 4.1Å; I82-I88 HydrophobicContact CD1-CG1 4.4Å; I82-I88 HydrophobicContact CG2-CD1 4.2Å; I82-I88 HydrophobicContact CG2-CG1 3.98Å; I88-Y90 HydrophobicContact CG2-CE1 3.84Å; I88-Y90 HydrophobicContact CG2-CE2 4.2Å; I88-Y90 WeakPolarHBondContact CG2-OH 3.3Å; I88-A99 HydrophobicContact CG2-CB 3.91Å; I88-Q116 HydrophobicContact CB-CG 3.86Å; I88-Q116 HydrophobicContact CD1-CB 4.21Å; I88-Q116 HydrophobicContact CD1-CG 4.01Å; I88-Q116 HydrophobicContact CG1-CG 4.25Å; I88-Q116 PolarHBondContact O-NE2 3.11Å
89	P	92.1	Very high	92.7	Very high	114 Å²	114	64.7 Å²	64.7	74%	0.74	33%	0.327	S	S	*	.			trans	-80.5	152.8	172.4	33.5	-33.7	0	0	0	111.1
90	Y	92.6	Very high	92.9	Very high	52 Å²	52	63 Å²	63	20%	0.204	31%	0.312	C	S	.	.			trans	-129.4	143.1	173.4	-59.3	-71.5	0	0	0	110.3	I88 P95 A99 P115 Q116 L119	I88-Y90 HydrophobicContact CG2-CE1 3.84Å; I88-Y90 HydrophobicContact CG2-CE2 4.2Å; I88-Y90 WeakPolarHBondContact CG2-OH 3.3Å; Y90-P95 HydrophobicContact CD1-CB 3.77Å; Y90-P95 HydrophobicContact CD1-CG 4.49Å; Y90-P95 HydrophobicContact CD2-CB 4.26Å; Y90-P95 HydrophobicContact CD2-CG 4.11Å; Y90-P95 HydrophobicContact CE1-CB 4.35Å; Y90-P95 HydrophobicContact CG-CB 3.72Å; Y90-P95 HydrophobicContact CG-CG 4.06Å; Y90-A99 WeakPolarHBondContact CE1-O 3.4Å; Y90-A99 PolarHBondContact OH-O 2.82Å; Y90-P115 HydrophobicContact CD2-CB 4.12Å; Y90-P115 HydrophobicContact CE2-CB 3.69Å; Y90-Q116 HydrophobicContact CE2-CG 3.93Å; Y90-Q116 WeakPolarHBondContact OH-CA 3.28Å; Y90-L119 HydrophobicContact CD1-CD2 4.29Å; Y90-L119 HydrophobicContact CE1-CD2 3.45Å; Y90-L119 VanDerWaalsContact CE1-CD2 3.45Å
91	K	88.9	Confident	93	Very high	165 Å²	165	55 Å²	55	72%	0.717	28%	0.282	S	S	*	.	S	Bend	trans	-78.7	-32.9	-179.8	-60.9	165.6	-174.2	159.5	0	113	E77	E77-K91 IonicContact OE1-NZ 3.46Å; E77-K91 PolarHBondContact OE1-NZ 3.17Å
92	H	90	Very high	93	Very high	116 Å²	116	51.1 Å²	51.1	54%	0.537	27%	0.265	S	S	.	.	S	Bend	trans	-101.3	140.6	-174	-55.6	-74.6	0	0	0	111	I94	H92-I94 PolarHBondContact O-N 2.91Å
93	S	91.1	Very high	92.9	Very high	73 Å²	73	49.1 Å²	49.1	51%	0.51	26%	0.255	S	S	.	.	S	Bend	trans	-56.4	-34.9	174	-51.1	0	0	0	0	112.4	P95 H159 Q161	S93-P95 WeakPolarHBondContact O-CD 3.43Å; S93-H159 PolarHBondContact O-CE1 3.48Å; S93-H159 PolarHBondContact O-NE2 2.68Å; S93-Q161 PolarHBondContact O-OE1 2.89Å
94	I	95.9	Very high	92.9	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.077	25%	0.253	C	S	.	.	S	Bend	trans	-112.9	92	171	-50.7	177.1	0	0	0	108.3	H92 S96 L130 L162 A169 V171 T176 E178	H92-I94 PolarHBondContact O-N 2.91Å; I94-S96 PolarHBondContact O-N 3.13Å; I94-L130 HydrophobicContact CG1-CD1 4.5Å; I94-L130 HydrophobicContact CG2-CD1 3.78Å; I94-L162 HydrophobicContact CD1-CD2 3.51Å; I94-L162 HydrophobicContact CG1-CD2 4.14Å; I94-A169 HydrophobicContact CD1-CB 3.83Å; I94-V171 HydrophobicContact CG2-CG1 4.48Å; I94-V171 HydrophobicContact CG2-CG2 3.6Å; I94-T176 HydrophobicContact CB-CG2 4.15Å; I94-T176 HydrophobicContact CG2-CG2 3.54Å; I94-E178 HydrophobicContact CD1-CG 3.81Å; I94-E178 VanDerWaalsContact CD1-OE1 3.29Å; I94-E178 WeakPolarHBondContact CD1-OE1 3.47Å
95	P	95.7	Very high	93.1	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.039	25%	0.253	C	S	.	.			trans	-70.9	122.1	176.2	28.1	-33.4	0	0	0	110.5	Y90 S93 P115 L119	Y90-P95 HydrophobicContact CD1-CB 3.77Å; Y90-P95 HydrophobicContact CD1-CG 4.49Å; Y90-P95 HydrophobicContact CD2-CB 4.26Å; Y90-P95 HydrophobicContact CD2-CG 4.11Å; Y90-P95 HydrophobicContact CE1-CB 4.35Å; Y90-P95 HydrophobicContact CG-CB 3.72Å; Y90-P95 HydrophobicContact CG-CG 4.06Å; S93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-P115 HydrophobicContact CG-CB 3.71Å; P95-P115 HydrophobicContact CG-CG 4.13Å; P95-L119 HydrophobicContact CB-CD1 4Å; P95-L119 HydrophobicContact CB-CD2 4.36Å; P95-L119 HydrophobicContact CG-CD1 3.94Å; P95-L119 WeakPolarHBondContact O-CD1 3.4Å
96	S	95.7	Very high	93.4	Very high	4 Å²	4	47 Å²	47	3%	0.028	24%	0.239	C	C	.	.			trans	-108	-8.1	-179.8	63.7	0	0	0	0	113.6	I94 W173 G174	I94-S96 PolarHBondContact O-N 3.13Å; S96-W173 CarbonylContact O-C 3.58Å; S96-W173 WeakPolarHBondContact O-CA 3.22Å; S96-G174 PolarHBondContact O-N 2.82Å
97	S	95.4	Very high	93.6	Very high	12 Å²	12	40.9 Å²	40.9	8%	0.084	22%	0.22	C	C	.	.	S	Bend	trans	-161.1	177.6	-176.8	58.6	0	0	0	0	111	P76 E77 L119	P76-S97 WeakPolarHBondContact CA-OG 3.41Å; E77-S97 PolarHBondContact N-OG 3.06Å; S97-L119 WeakPolarHBondContact O-CD2 3.38Å
98	G	95.1	Very high	93.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	19%	0.188	C	C	.	.	S	Bend	trans	103.4	-155.4	-178.8	0	0	0	0	0	114.1	E77 F100 W173	E77-G98 PolarHBondContact O-N 2.98Å; E77-G98 VanDerWaalsContact O-N 3.14Å; G98-F100 WeakPolarHBondContact O-CD1 3.46Å; G98-W173 WeakPolarHBondContact O-CH2 3.25Å
99	A	95.7	Very high	93.9	Very high	17 Å²	17	35.7 Å²	35.7	14%	0.14	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	152.6	-173.9	0	0	0	0	0	113.9	R80 I82 I88 Y90	R80-A99 HydrophobicContact CB-CB 4.19Å; R80-A99 CarbonylContact O-C 3.55Å; R80-A99 VanDerWaalsContact O-CA 3.24Å; R80-A99 WeakPolarHBondContact O-CA 3.24Å; R80-A99 WeakPolarHBondContact O-CB 3.45Å; I82-A99 HydrophobicContact CD1-CB 3.47Å; I82-A99 VanDerWaalsContact CD1-CB 3.47Å; I82-A99 HydrophobicContact CG1-CB 3.98Å; I88-A99 HydrophobicContact CG2-CB 3.91Å; Y90-A99 WeakPolarHBondContact CE1-O 3.4Å; Y90-A99 PolarHBondContact OH-O 2.82Å
100	F	95.6	Very high	94.1	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	167.2	-177.6	51	-106.3	0	0	0	113.4	A79 R80 E81 I82 G98 L119 N120 H123 W173	A79-F100 HydrophobicContact CB-CE1 3.77Å; A79-F100 HydrophobicContact CB-CZ 4.15Å; R80-F100 PolarHBondContact O-N 3.14Å; E81-F100 CarbonylContact C-O 3.58Å; E81-F100 WeakPolarHBondContact CA-O 3.45Å; E81-F100 HydrophobicContact CG-CD2 4.08Å; E81-F100 HydrophobicContact CG-CE2 3.57Å; E81-F100 HydrophobicContact CG-CZ 4.45Å; I82-F100 PolarHBondContact N-O 3.34Å; G98-F100 WeakPolarHBondContact O-CD1 3.46Å; F100-L119 HydrophobicContact CB-CB 3.81Å; F100-L119 HydrophobicContact CD1-CB 4.27Å; F100-L119 HydrophobicContact CG-CB 4.47Å; F100-N120 HydrophobicContact CB-CB 4.11Å; F100-N120 HydrophobicContact CD2-CB 3.52Å; F100-N120 HydrophobicContact CE2-CB 4.02Å; F100-N120 HydrophobicContact CG-CB 3.85Å; F100-H123 HydrophobicContact CE1-CB 3.72Å; F100-H123 AromaticContact CE1-CG 3.86Å; F100-H123 HydrophobicContact CZ-CB 3.97Å; F100-H123 AromaticContact CZ-CG 3.85Å; F100-H123 AromaticContact CZ-ND1 3.79Å; F100-W173 HydrophobicContact CD1-CH2 4.23Å; F100-W173 HydrophobicContact CD1-CZ3 4.18Å; F100-W173 AromaticContact CE1-CH2 3.94Å; F100-W173 HydrophobicContact CE1-CH2 3.94Å; F100-W173 HydrophobicContact CE1-CZ3 4.06Å
101	R	95.1	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.			trans	-74.3	142.1	173.9	-59.5	-47.9	-176.1	-174.8	1.6	111.5	D45 I82 C83 M84 Y86 V103 Q116 N120	D45-R101 IonicContact OD1-CZ 3.25Å; D45-R101 VanDerWaalsContact OD1-CZ 3.22Å; D45-R101 IonicContact OD1-NE 2.74Å; D45-R101 PolarHBondContact OD1-NE 3.22Å; D45-R101 IonicContact OD1-NH2 2.85Å; D45-R101 PolarHBondContact OD1-NH2 3.24Å; D45-R101 WeakPolarHBondContact OD2-CG 3.44Å; D45-R101 IonicContact OD2-NE 3.62Å; D45-R101 PolarHBondContact OD2-NE 3.25Å; D45-R101 VanDerWaalsContact OD2-NE 3.11Å; I82-R101 VanDerWaalsContact O-CD 3.3Å; I82-R101 WeakPolarHBondContact O-CD 3.44Å; I82-R101 PolarHBondContact O-NH1 3.34Å; C83-R101 PolarHBondContact O-NH1 2.84Å; M84-R101 HydrophobicContact SD-CG 4.04Å; Y86-R101 PolarHBondContact O-NH1 3.05Å; Y86-R101 PolarHBondContact O-NH2 2.7Å; R101-V103 VanDerWaalsContact C-N 3.29Å; R101-V103 PolarHBondContact O-N 3.04Å; R101-Q116 HydrophobicContact CG-CB 3.89Å; R101-Q116 PolarHBondContact N-O 3.39Å; R101-N120 PolarHBondContact O-ND2 3.1Å
102	P	92.8	Very high	94.4	Very high	17 Å²	17	22 Å²	22	11%	0.11	12%	0.123	C	C	.	.	S	Bend	trans	-54.8	-36.8	178.2	-24.4	30.1	0	0	0	115.2	P33 D36 E81 N120	P33-P102 HydrophobicContact CB-CB 4.15Å; P33-P102 HydrophobicContact CB-CG 3.94Å; P33-P102 HydrophobicContact CG-CB 3.89Å; P33-P102 HydrophobicContact CG-CG 4.05Å; D36-P102 HydrophobicContact CB-CB 4.27Å; D36-P102 HydrophobicContact CB-CG 3.98Å; D36-P102 WeakPolarHBondContact OD2-CD 3.49Å; E81-P102 HydrophobicContact CB-CG 4.25Å; P102-N120 PolarHBondContact O-ND2 3.36Å
103	V	92.2	Very high	94.7	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.03	10%	0.097	C	C	.	.	S	Bend	trans	-92.7	106	178.5	174.2	0	0	0	0	110.7	D36 R101 R117 R208	D36-V103 WeakPolarHBondContact O-CG2 3.37Å; D36-V103 VanDerWaalsContact OD2-CB 3.29Å; D36-V103 WeakPolarHBondContact OD2-CB 3.36Å; D36-V103 PolarHBondContact OD2-N 3.41Å; R101-V103 VanDerWaalsContact C-N 3.29Å; R101-V103 PolarHBondContact O-N 3.04Å; V103-R117 WeakPolarHBondContact O-CD 3.44Å; V103-R117 PolarHBondContact O-NH1 3.01Å; V103-R208 HydrophobicContact CG1-CB 4.36Å; V103-R208 HydrophobicContact CG2-CB 4.22Å
104	M	91.9	Very high	94.9	Very high	47 Å²	47	13 Å²	13	23%	0.232	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-61.3	159.6	174.2	68.1	177	63	0	0	113.4	N120 Y210	M104-N120 HydrophobicContact CB-CB 4Å; M104-Y210 PolarHBondContact O-N 2.99Å
105	A	95.4	Very high	94.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-72.4	146.7	172.3	0	0	0	0	0	112.2	C113 R117 N121 I155 Y210	A105-C113 VanDerWaalsContact CB-SG 3.58Å; A105-R117 HydrophobicContact CB-CB 4.37Å; A105-N121 WeakPolarHBondContact CB-OD1 3.16Å; A105-N121 PolarHBondContact N-OD1 3.36Å; A105-N121 PolarHBondContact O-ND2 3.08Å; A105-I155 HydrophobicContact CB-CD1 3.67Å; A105-I155 HydrophobicContact CB-CG1 4.47Å; A105-Y210 CarbonylContact C-O 3.35Å; A105-Y210 WeakPolarHBondContact CA-O 3.45Å; A105-Y210 HydrophobicContact CB-CD1 3.99Å
106	E	94.5	Very high	94.9	Very high	40 Å²	40	13.8 Å²	13.8	19%	0.187	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-66.5	133.8	167.9	-169.2	-173.8	147.6	0	0	109.8	G108 Y110 I155 K209 Y210 N211 L214 S217	E106-G108 PolarHBondContact O-N 3.47Å; E106-Y110 PolarHBondContact N-OH 3.26Å; E106-Y110 WeakPolarHBondContact O-CE2 3.32Å; E106-Y110 PolarHBondContact O-OH 3.48Å; E106-I155 VanDerWaalsContact O-CD1 3.28Å; E106-I155 WeakPolarHBondContact O-CD1 3.27Å; E106-K209 HydrophobicContact CB-CB 4.07Å; E106-K209 HydrophobicContact CB-CD 4.17Å; E106-K209 HydrophobicContact CG-CD 4.04Å; E106-Y210 PolarHBondContact N-O 2.94Å; E106-N211 HydrophobicContact CB-CB 4.09Å; E106-N211 VanDerWaalsContact OE2-CB 3.31Å; E106-N211 WeakPolarHBondContact OE2-CB 3.36Å; E106-N211 PolarHBondContact OE2-ND2 3.34Å; E106-L214 HydrophobicContact CB-CD2 4.28Å; E106-L214 HydrophobicContact CG-CD2 4.27Å; E106-S217 WeakPolarHBondContact OE1-CB 3.21Å; E106-S217 PolarHBondContact OE1-OG 2.02Å
107	S	94.5	Very high	94.9	Very high	31 Å²	31	13.6 Å²	13.6	22%	0.217	8%	0.075	C	C	.	.	S	Bend	trans	-62	133.4	-179.7	-176	0	0	0	0	111.7	H154 A218	S107-H154 CarbonylContact C-O 3.49Å; S107-H154 VanDerWaalsContact CA-O 3.23Å; S107-H154 WeakPolarHBondContact CA-O 3.49Å; S107-H154 WeakPolarHBondContact CB-O 3.38Å; S107-H154 PolarHBondContact OG-N 2.89Å; S107-H154 PolarHBondContact OG-O 2.88Å; S107-A218 WeakPolarHBondContact O-CB 3.24Å; S107-A218 PolarHBondContact O-N 2.85Å
108	G	95.9	Very high	94.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-163.2	179.3	0	0	0	0	0	115.4	E106 H154 I155 I156 R216	E106-G108 PolarHBondContact O-N 3.47Å; G108-H154 PolarHBondContact N-O 3.02Å; G108-I155 WeakPolarHBondContact O-CA 3.37Å; G108-I156 PolarHBondContact O-N 3.27Å; G108-R216 CarbonylContact C-O 3.51Å; G108-R216 VanDerWaalsContact CA-O 3.27Å; G108-R216 WeakPolarHBondContact CA-O 3.37Å
109	E	96.2	Very high	95	Very high	30 Å²	30	13 Å²	13	14%	0.14	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.9	-178.7	-51.5	166.7	-161.4	0	0	111.2	S144 R148 I156 T215 R216	E109-S144 PolarHBondContact OE1-OG 3.01Å; E109-R148 VanDerWaalsContact OE1-CD 3.25Å; E109-R148 WeakPolarHBondContact OE1-CD 3.13Å; E109-I156 HydrophobicContact CB-CB 4.43Å; E109-I156 HydrophobicContact CG-CB 4.27Å; E109-I156 HydrophobicContact CG-CD1 3.92Å; E109-T215 WeakPolarHBondContact O-CA 3.4Å; E109-T215 PolarHBondContact O-N 2.84Å; E109-T215 PolarHBondContact O-OG1 2.91Å; E109-R216 HydrophobicContact CB-CB 4.1Å; E109-R216 VanDerWaalsContact CD-CD 3.4Å; E109-R216 HydrophobicContact CG-CB 4.37Å; E109-R216 PolarHBondContact N-O 2.87Å; E109-R216 PolarHBondContact O-N 2.81Å; E109-R216 WeakPolarHBondContact OE1-CD 3.46Å; E109-R216 IonicContact OE1-CZ 2.9Å; E109-R216 IonicContact OE1-NE 3.76Å; E109-R216 IonicContact OE1-NH1 2.67Å; E109-R216 PolarHBondContact OE1-NH1 2.79Å; E109-R216 IonicContact OE2-NH1 3.53Å
110	Y	95.5	Very high	94.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	155.1	-179.3	-73.9	-102.7	0	0	0	112.4	E106 Y112 C113 I155 I156 Y210 F212 L214	E106-Y110 PolarHBondContact N-OH 3.26Å; E106-Y110 WeakPolarHBondContact O-CE2 3.32Å; E106-Y110 PolarHBondContact O-OH 3.48Å; Y110-Y112 WeakPolarHBondContact CD1-O 3.47Å; Y110-C113 HydrophobicContact CD1-CB 3.91Å; Y110-C113 HydrophobicContact CD2-CB 4.07Å; Y110-C113 HydrophobicContact CE1-CB 4.41Å; Y110-C113 HydrophobicContact CG-CB 3.75Å; Y110-I155 HydrophobicContact CD2-CG2 3.91Å; Y110-I155 HydrophobicContact CE2-CD1 3.86Å; Y110-I155 HydrophobicContact CE2-CG2 4.12Å; Y110-I156 PolarHBondContact N-O 3.11Å; Y110-Y210 HydrophobicContact CD1-CE1 4.31Å; Y110-Y210 HydrophobicContact CE1-CD1 4.09Å; Y110-Y210 AromaticContact CE1-CE1 3.73Å; Y110-Y210 HydrophobicContact CE1-CE1 3.73Å; Y110-Y210 PolarHBondContact OH-O 3.01Å; Y110-Y210 VanDerWaalsContact OH-O 3.09Å; Y110-F212 WeakPolarHBondContact CD1-O 3.26Å; Y110-F212 WeakPolarHBondContact CE1-O 3.09Å; Y110-L214 HydrophobicContact CD1-CB 4.18Å; Y110-L214 HydrophobicContact CD1-CD1 4.48Å; Y110-L214 HydrophobicContact CD2-CD1 3.93Å; Y110-L214 HydrophobicContact CE1-CB 3.77Å; Y110-L214 HydrophobicContact CE1-CD1 4.08Å; Y110-L214 HydrophobicContact CE2-CD1 3.47Å; Y110-L214 VanDerWaalsContact CE2-CD1 3.47Å; Y110-L214 HydrophobicContact CG-CD1 4.38Å
111	L	93.5	Very high	94.9	Very high	28 Å²	28	12.6 Å²	12.6	15%	0.147	7%	0.066	C	C	.	.	S	Bend	trans	-73.1	-38.9	158.8	175.7	57.9	0	0	0	110.4	V51 P158 L213 T215	V51-L111 HydrophobicContact CG1-CD2 4.23Å; L111-P158 WeakPolarHBondContact O-CD 3.36Å; L111-P158 WeakPolarHBondContact O-CG 3.34Å; L111-L213 HydrophobicContact CB-CB 4.27Å; L111-L213 HydrophobicContact CD2-CD2 4.41Å; L111-L213 PolarHBondContact N-O 2.65Å; L111-T215 HydrophobicContact CB-CG2 3.9Å
112	Y	94.4	Very high	94.8	Very high	15 Å²	15	12.7 Å²	12.7	6%	0.059	7%	0.067	C	C	.	.			trans	-156.6	141.5	160.3	177.3	-122.6	0	0	0	110.1	L46 P47 A50 W53 Y110 P114 P115 T157 L213	L46-Y112 HydrophobicContact CD2-CD1 3.77Å; L46-Y112 HydrophobicContact CD2-CE1 4.18Å; P47-Y112 VanDerWaalsContact CD-CE1 3.44Å; P47-Y112 HydrophobicContact CG-CE1 4.02Å; A50-Y112 HydrophobicContact CB-CD1 3.72Å; A50-Y112 HydrophobicContact CB-CE1 4.48Å; A50-Y112 HydrophobicContact CB-CG 4.22Å; W53-Y112 AromaticContact CE3-CD2 3.92Å; W53-Y112 HydrophobicContact CE3-CD2 3.92Å; W53-Y112 HydrophobicContact CE3-CE2 4.35Å; W53-Y112 HydrophobicContact CE3-CG 4.35Å; W53-Y112 HydrophobicContact CH2-CD1 4.44Å; W53-Y112 AromaticContact CH2-CD2 3.75Å; W53-Y112 HydrophobicContact CH2-CD2 3.75Å; W53-Y112 HydrophobicContact CH2-CE1 4.14Å; W53-Y112 AromaticContact CH2-CE2 3.4Å; W53-Y112 HydrophobicContact CH2-CE2 3.4Å; W53-Y112 VanDerWaalsContact CH2-CE2 3.4Å; W53-Y112 HydrophobicContact CH2-CG 4.24Å; W53-Y112 AromaticContact CH2-CZ 3.57Å; W53-Y112 HydrophobicContact CZ3-CD1 4.46Å; W53-Y112 AromaticContact CZ3-CD2 3.15Å; W53-Y112 HydrophobicContact CZ3-CD2 3.15Å; W53-Y112 HydrophobicContact CZ3-CE1 4.48Å; W53-Y112 AromaticContact CZ3-CE2 3.19Å; W53-Y112 HydrophobicContact CZ3-CE2 3.19Å; W53-Y112 AromaticContact CZ3-CG 3.82Å; W53-Y112 HydrophobicContact CZ3-CG 3.82Å; W53-Y112 AromaticContact CZ3-CZ 3.87Å; Y110-Y112 WeakPolarHBondContact CD1-O 3.47Å; Y112-P114 HydrophobicContact CE1-CB 3.71Å; Y112-P115 WeakPolarHBondContact OH-CD 3.22Å; Y112-T157 WeakPolarHBondContact CD2-OG1 3.3Å; Y112-L213 WeakPolarHBondContact O-CB 3.15Å
113	C	96.1	Very high	94.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.			trans	-123.9	120.4	168	-166.8	0	0	0	0	108.1	A105 Y110 W118 I155 T157	A105-C113 VanDerWaalsContact CB-SG 3.58Å; Y110-C113 HydrophobicContact CD1-CB 3.91Å; Y110-C113 HydrophobicContact CD2-CB 4.07Å; Y110-C113 HydrophobicContact CE1-CB 4.41Å; Y110-C113 HydrophobicContact CG-CB 3.75Å; C113-W118 PolarHBondContact O-NE1 3.5Å; C113-I155 HydrophobicContact CB-CG2 3.98Å; C113-T157 HydrophobicContact CB-CG2 4.28Å; C113-T157 PolarHBondContact N-OG1 2.84Å
114	P	95.3	Very high	94.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.			trans	-75.3	145.7	-177.1	29.8	-33.9	0	0	0	112	D45 L46 Y112 Q116 R117 W118	D45-P114 HydrophobicContact CB-CB 4Å; D45-P114 HydrophobicContact CB-CG 3.83Å; D45-P114 WeakPolarHBondContact O-CB 3.44Å; L46-P114 HydrophobicContact CD2-CG 4.18Å; Y112-P114 HydrophobicContact CE1-CB 3.71Å; P114-Q116 PolarHBondContact O-N 3.17Å; P114-Q116 VanDerWaalsContact O-N 3.12Å; P114-R117 HydrophobicContact CG-CB 4.3Å; P114-R117 HydrophobicContact CG-CG 3.76Å; P114-R117 WeakPolarHBondContact O-CB 3.2Å; P114-R117 PolarHBondContact O-N 3.04Å; P114-W118 VanDerWaalsContact C-CD1 3.41Å; P114-W118 PolarHBondContact O-N 2.79Å
115	P	96.3	Very high	94.6	Very high	12 Å²	12	16 Å²	16	8%	0.078	9%	0.085	C	C	.	.	H	α-helix	trans	-46.2	-43.6	-178.7	-33.3	37.4	0	0	0	114.6	Y90 P95 Y112 R117 W118 L119	Y90-P115 HydrophobicContact CD2-CB 4.12Å; Y90-P115 HydrophobicContact CE2-CB 3.69Å; P95-P115 HydrophobicContact CG-CB 3.71Å; P95-P115 HydrophobicContact CG-CG 4.13Å; Y112-P115 WeakPolarHBondContact OH-CD 3.22Å; P115-R117 PolarHBondContact O-N 3.39Å; P115-W118 HydrophobicContact CB-CZ2 4.41Å; P115-W118 HydrophobicContact CG-CZ2 4.19Å; P115-W118 PolarHBondContact O-N 2.84Å; P115-W118 VanDerWaalsContact O-N 3.08Å; P115-L119 HydrophobicContact CB-CD1 4.08Å; P115-L119 WeakPolarHBondContact O-CD1 3.18Å; P115-L119 PolarHBondContact O-N 3.4Å
116	Q	95.8	Very high	94.4	Very high	26 Å²	26	16.4 Å²	16.4	12%	0.121	9%	0.089	C	C	.	.	H	α-helix	trans	-56.1	-24.8	-179.8	-59.3	80.2	-1.8	0	0	112.7	I88 Y90 R101 P114	I88-Q116 HydrophobicContact CB-CG 3.86Å; I88-Q116 HydrophobicContact CD1-CB 4.21Å; I88-Q116 HydrophobicContact CD1-CG 4.01Å; I88-Q116 HydrophobicContact CG1-CG 4.25Å; I88-Q116 PolarHBondContact O-NE2 3.11Å; Y90-Q116 HydrophobicContact CE2-CG 3.93Å; Y90-Q116 WeakPolarHBondContact OH-CA 3.28Å; R101-Q116 HydrophobicContact CG-CB 3.89Å; R101-Q116 PolarHBondContact N-O 3.39Å; P114-Q116 PolarHBondContact O-N 3.17Å; P114-Q116 VanDerWaalsContact O-N 3.12Å
117	R	95.4	Very high	94.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-90.4	-42.8	175.4	-62.5	-68.8	171.9	176.5	-3	112.9	D36 D45 M84 V103 A105 P114 P115 N121 Y210	D36-R117 VanDerWaalsContact CG-NH1 3.28Å; D36-R117 IonicContact OD1-CZ 4Å; D36-R117 IonicContact OD1-NH1 2.55Å; D36-R117 PolarHBondContact OD1-NH1 3.02Å; D36-R117 IonicContact OD1-NH2 2.7Å; D36-R117 PolarHBondContact OD1-NH2 3.23Å; D36-R117 IonicContact OD2-CZ 3.82Å; D36-R117 IonicContact OD2-NH1 2.66Å; D36-R117 PolarHBondContact OD2-NH1 3.26Å; D36-R117 IonicContact OD2-NH2 3.79Å; D45-R117 IonicContact OD2-NE 2.75Å; D45-R117 IonicContact OD2-NH2 2.71Å; M84-R117 PolarHBondContact SD-NH2 3.24Å; V103-R117 WeakPolarHBondContact O-CD 3.44Å; V103-R117 PolarHBondContact O-NH1 3.01Å; A105-R117 HydrophobicContact CB-CB 4.37Å; P114-R117 HydrophobicContact CG-CB 4.3Å; P114-R117 HydrophobicContact CG-CG 3.76Å; P114-R117 WeakPolarHBondContact O-CB 3.2Å; P114-R117 PolarHBondContact O-N 3.04Å; P115-R117 PolarHBondContact O-N 3.39Å; R117-N121 PolarHBondContact O-OD1 2.74Å; R117-N121 VanDerWaalsContact O-OD1 3.12Å; R117-Y210 HydrophobicContact CB-CD1 4.2Å; R117-Y210 HydrophobicContact CB-CG 4.46Å; R117-Y210 HydrophobicContact CG-CD1 4.05Å; R117-Y210 HydrophobicContact CG-CD2 4.04Å; R117-Y210 HydrophobicContact CG-CE1 4.31Å; R117-Y210 HydrophobicContact CG-CE2 4.27Å; R117-Y210 HydrophobicContact CG-CG 3.92Å
118	W	96.3	Very high	94.7	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-85.5	-16.7	-175.1	59.9	-97.9	0	0	0	115.2	C113 P114 P115 N120 N121 L122 V128 L130 I155 V171	C113-W118 PolarHBondContact O-NE1 3.5Å; P114-W118 VanDerWaalsContact C-CD1 3.41Å; P114-W118 PolarHBondContact O-N 2.79Å; P115-W118 HydrophobicContact CB-CZ2 4.41Å; P115-W118 HydrophobicContact CG-CZ2 4.19Å; P115-W118 PolarHBondContact O-N 2.84Å; P115-W118 VanDerWaalsContact O-N 3.08Å; W118-N120 PolarHBondContact O-N 3.39Å; W118-N121 WeakPolarHBondContact O-CA 3.47Å; W118-N121 WeakPolarHBondContact O-CB 3.48Å; W118-N121 PolarHBondContact O-N 2.9Å; W118-L122 HydrophobicContact CE3-CD1 3.92Å; W118-L122 HydrophobicContact CE3-CG 4.17Å; W118-L122 HydrophobicContact CZ3-CD1 3.91Å; W118-L122 WeakPolarHBondContact O-CG 3.45Å; W118-L122 PolarHBondContact O-N 2.59Å; W118-V128 HydrophobicContact CB-CG2 4.05Å; W118-V128 HydrophobicContact CD2-CB 4.39Å; W118-V128 HydrophobicContact CD2-CG1 3.84Å; W118-V128 HydrophobicContact CD2-CG2 4.16Å; W118-V128 HydrophobicContact CE3-CB 3.8Å; W118-V128 HydrophobicContact CE3-CG1 3.7Å; W118-V128 HydrophobicContact CE3-CG2 3.64Å; W118-V128 HydrophobicContact CG-CG1 4.31Å; W118-V128 HydrophobicContact CG-CG2 4.38Å; W118-V128 HydrophobicContact CZ3-CB 4.15Å; W118-V128 HydrophobicContact CZ3-CG1 4.06Å; W118-V128 HydrophobicContact CZ3-CG2 4.42Å; W118-L130 HydrophobicContact CH2-CD1 3.83Å; W118-L130 HydrophobicContact CH2-CD2 4.01Å; W118-L130 HydrophobicContact CH2-CG 4.39Å; W118-L130 HydrophobicContact CZ2-CD1 4.14Å; W118-L130 HydrophobicContact CZ2-CD2 3.74Å; W118-I155 HydrophobicContact CB-CG1 4.27Å; W118-I155 HydrophobicContact CB-CG2 4.43Å; W118-V171 HydrophobicContact CH2-CG2 4.41Å; W118-V171 HydrophobicContact CZ3-CB 4.23Å; W118-V171 HydrophobicContact CZ3-CG1 4.11Å; W118-V171 HydrophobicContact CZ3-CG2 4.21Å
119	L	96.1	Very high	94.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-33.6	166.9	-94.9	71.9	0	0	0	112.5	Y90 P95 S97 F100 P115 N121 L122 H123	Y90-L119 HydrophobicContact CD1-CD2 4.29Å; Y90-L119 HydrophobicContact CE1-CD2 3.45Å; Y90-L119 VanDerWaalsContact CE1-CD2 3.45Å; P95-L119 HydrophobicContact CB-CD1 4Å; P95-L119 HydrophobicContact CB-CD2 4.36Å; P95-L119 HydrophobicContact CG-CD1 3.94Å; P95-L119 WeakPolarHBondContact O-CD1 3.4Å; S97-L119 WeakPolarHBondContact O-CD2 3.38Å; F100-L119 HydrophobicContact CB-CB 3.81Å; F100-L119 HydrophobicContact CD1-CB 4.27Å; F100-L119 HydrophobicContact CG-CB 4.47Å; P115-L119 HydrophobicContact CB-CD1 4.08Å; P115-L119 WeakPolarHBondContact O-CD1 3.18Å; P115-L119 PolarHBondContact O-N 3.4Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 2.91Å; L119-L122 HydrophobicContact CD1-CD1 4.39Å; L119-L122 HydrophobicContact CG-CD1 4.26Å; L119-L122 WeakPolarHBondContact O-CB 3.5Å; L119-L122 PolarHBondContact O-N 3Å; L119-H123 PolarHBondContact O-N 3.33Å
120	N	94.6	Very high	94.9	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-64	-39.6	172.6	-171.1	-27.8	0	0	0	110.8	F100 R101 P102 M104 W118 H123 H124	F100-N120 HydrophobicContact CB-CB 4.11Å; F100-N120 HydrophobicContact CD2-CB 3.52Å; F100-N120 HydrophobicContact CE2-CB 4.02Å; F100-N120 HydrophobicContact CG-CB 3.85Å; R101-N120 PolarHBondContact O-ND2 3.1Å; P102-N120 PolarHBondContact O-ND2 3.36Å; M104-N120 HydrophobicContact CB-CB 4Å; W118-N120 PolarHBondContact O-N 3.39Å; N120-H123 PolarHBondContact O-N 2.9Å; N120-H124 PolarHBondContact O-N 3.12Å; N120-H124 PolarHBondContact O-ND1 2.69Å; N120-H124 PolarHBondContact OD1-CE1 3.28Å; N120-H124 PolarHBondContact OD1-ND1 2.87Å
121	N	94.3	Very high	94.9	Very high	10 Å²	10	12 Å²	12	5%	0.053	7%	0.065	C	C	.	.	H	α-helix	trans	-63.6	-41.5	172.5	-63.6	91.8	0	0	0	112	A105 R117 W118 L119 H124 G125 A126 I155	A105-N121 WeakPolarHBondContact CB-OD1 3.16Å; A105-N121 PolarHBondContact N-OD1 3.36Å; A105-N121 PolarHBondContact O-ND2 3.08Å; R117-N121 PolarHBondContact O-OD1 2.74Å; R117-N121 VanDerWaalsContact O-OD1 3.12Å; W118-N121 WeakPolarHBondContact O-CA 3.47Å; W118-N121 WeakPolarHBondContact O-CB 3.48Å; W118-N121 PolarHBondContact O-N 2.9Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 2.91Å; N121-H124 CarbonylContact O-C 3.5Å; N121-H124 PolarHBondContact O-N 2.97Å; N121-G125 PolarHBondContact O-N 2.71Å; N121-A126 HydrophobicContact CB-CB 4.02Å; N121-A126 VanDerWaalsContact O-CB 3.31Å; N121-A126 WeakPolarHBondContact O-CB 3.19Å; N121-A126 PolarHBondContact O-N 2.83Å; N121-I155 HydrophobicContact CB-CG1 4.26Å
122	L	94.6	Very high	95	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-58.9	-46.7	174.3	-64.4	179.2	0	0	0	111.6	W118 L119 H124 G125 V128 V171 W173	W118-L122 HydrophobicContact CE3-CD1 3.92Å; W118-L122 HydrophobicContact CE3-CG 4.17Å; W118-L122 HydrophobicContact CZ3-CD1 3.91Å; W118-L122 WeakPolarHBondContact O-CG 3.45Å; W118-L122 PolarHBondContact O-N 2.59Å; L119-L122 HydrophobicContact CD1-CD1 4.39Å; L119-L122 HydrophobicContact CG-CD1 4.26Å; L119-L122 WeakPolarHBondContact O-CB 3.5Å; L119-L122 PolarHBondContact O-N 3Å; L122-H124 PolarHBondContact O-N 2.8Å; L122-G125 WeakPolarHBondContact O-CA 3.17Å; L122-G125 PolarHBondContact O-N 2.95Å; L122-V128 HydrophobicContact CD2-CB 4.12Å; L122-V128 HydrophobicContact CD2-CG2 3.62Å; L122-V128 HydrophobicContact CG-CG2 4.15Å; L122-V171 HydrophobicContact CD1-CG1 3.7Å; L122-V171 HydrophobicContact CD2-CB 4.12Å; L122-V171 HydrophobicContact CD2-CG1 3.97Å; L122-V171 VanDerWaalsContact CD2-O 3.26Å; L122-V171 WeakPolarHBondContact CD2-O 3.25Å; L122-W173 HydrophobicContact CB-CE3 3.91Å
123	H	92.1	Very high	94.9	Very high	52 Å²	52	12.2 Å²	12.2	24%	0.241	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-34.7	179.4	-177.2	-111.2	0	0	0	112.6	F100 L119 N120 G125 W173	F100-H123 HydrophobicContact CE1-CB 3.72Å; F100-H123 AromaticContact CE1-CG 3.86Å; F100-H123 HydrophobicContact CZ-CB 3.97Å; F100-H123 AromaticContact CZ-CG 3.85Å; F100-H123 AromaticContact CZ-ND1 3.79Å; L119-H123 PolarHBondContact O-N 3.33Å; N120-H123 PolarHBondContact O-N 2.9Å; H123-G125 VanDerWaalsContact C-N 3.27Å; H123-G125 PolarHBondContact O-N 2.78Å; H123-W173 HydrophobicContact CB-CD2 4.42Å; H123-W173 HydrophobicContact CB-CE3 3.78Å; H123-W173 HydrophobicContact CB-CH2 4.3Å; H123-W173 HydrophobicContact CB-CZ3 3.71Å
124	H	89.5	Confident	94.6	Very high	64 Å²	64	14.3 Å²	14.3	30%	0.296	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	14.4	175.5	-64.6	94	0	0	0	113.9	N120 N121 L122 V201	N120-H124 PolarHBondContact O-N 3.12Å; N120-H124 PolarHBondContact O-ND1 2.69Å; N120-H124 PolarHBondContact OD1-CE1 3.28Å; N120-H124 PolarHBondContact OD1-ND1 2.87Å; N121-H124 CarbonylContact O-C 3.5Å; N121-H124 PolarHBondContact O-N 2.97Å; L122-H124 PolarHBondContact O-N 2.8Å; H124-V201 HydrophobicContact CB-CG2 4.35Å; H124-V201 VanDerWaalsContact O-CG2 3.26Å; H124-V201 WeakPolarHBondContact O-CG2 3.36Å
125	G	89.8	Confident	94.3	Very high	22 Å²	22	15.1 Å²	15.1	23%	0.227	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	32.6	173.8	0	0	0	0	0	114.6	N121 L122 H123 R198	N121-G125 PolarHBondContact O-N 2.71Å; L122-G125 WeakPolarHBondContact O-CA 3.17Å; L122-G125 PolarHBondContact O-N 2.95Å; H123-G125 VanDerWaalsContact C-N 3.27Å; H123-G125 PolarHBondContact O-N 2.78Å; G125-R198 WeakPolarHBondContact O-CD 3.36Å; G125-R198 PolarHBondContact O-NE 3.48Å
126	A	92.9	Very high	93.9	Very high	11 Å²	11	20.4 Å²	20.4	9%	0.091	11%	0.111	C	C	.	.			trans	-86.3	153.9	161	0	0	0	0	0	110.3	N121 G153	N121-A126 HydrophobicContact CB-CB 4.02Å; N121-A126 VanDerWaalsContact O-CB 3.31Å; N121-A126 WeakPolarHBondContact O-CB 3.19Å; N121-A126 PolarHBondContact O-N 2.83Å; A126-G153 WeakPolarHBondContact CA-O 3.35Å; A126-G153 WeakPolarHBondContact CB-O 3.27Å
127	T	96	Very high	93.6	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.2	172.4	-48.1	0	0	0	0	109.9	L129 L151 G153 H154 I155 W190 L191	T127-L129 HydrophobicContact CG2-CD1 4.23Å; T127-L129 HydrophobicContact CG2-CG 4.37Å; T127-L151 HydrophobicContact CG2-CD1 4.3Å; T127-G153 PolarHBondContact N-O 2.8Å; T127-G153 VanDerWaalsContact N-O 3.11Å; T127-H154 WeakPolarHBondContact O-CA 3.39Å; T127-I155 PolarHBondContact O-N 2.87Å; T127-I155 VanDerWaalsContact O-N 3.09Å; T127-W190 HydrophobicContact CG2-CZ3 4.21Å; T127-L191 HydrophobicContact CG2-CD2 3.86Å
128	V	97.9	Very high	93.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.6	169.8	-177.1	0	0	0	0	109.7	W118 L122 L130 I155 T157 L170 V171	W118-V128 HydrophobicContact CB-CG2 4.05Å; W118-V128 HydrophobicContact CD2-CB 4.39Å; W118-V128 HydrophobicContact CD2-CG1 3.84Å; W118-V128 HydrophobicContact CD2-CG2 4.16Å; W118-V128 HydrophobicContact CE3-CB 3.8Å; W118-V128 HydrophobicContact CE3-CG1 3.7Å; W118-V128 HydrophobicContact CE3-CG2 3.64Å; W118-V128 HydrophobicContact CG-CG1 4.31Å; W118-V128 HydrophobicContact CG-CG2 4.38Å; W118-V128 HydrophobicContact CZ3-CB 4.15Å; W118-V128 HydrophobicContact CZ3-CG1 4.06Å; W118-V128 HydrophobicContact CZ3-CG2 4.42Å; L122-V128 HydrophobicContact CD2-CB 4.12Å; L122-V128 HydrophobicContact CD2-CG2 3.62Å; L122-V128 HydrophobicContact CG-CG2 4.15Å; V128-L130 HydrophobicContact CG1-CD2 3.65Å; V128-L130 HydrophobicContact CG1-CG 4.32Å; V128-I155 WeakPolarHBondContact CA-O 3.12Å; V128-I155 HydrophobicContact CG1-CB 4.13Å; V128-I155 HydrophobicContact CG1-CG2 4.4Å; V128-I155 HydrophobicContact CG2-CB 3.99Å; V128-I155 HydrophobicContact CG2-CG1 4.26Å; V128-T157 HydrophobicContact CG1-CG2 4.4Å; V128-L170 CarbonylContact O-C 3.56Å; V128-L170 WeakPolarHBondContact O-CA 3.49Å; V128-V171 HydrophobicContact CB-CB 4.32Å; V128-V171 PolarHBondContact N-O 3.34Å; V128-V171 PolarHBondContact O-N 2.91Å
129	L	98.1	Very high	93	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	100.7	-175.7	-57.4	96.4	0	0	0	108	T127 L143 A147 L151 H154 I155 I156 T157 L170	T127-L129 HydrophobicContact CG2-CD1 4.23Å; T127-L129 HydrophobicContact CG2-CG 4.37Å; L129-L143 HydrophobicContact CB-CD1 4.03Å; L129-L143 HydrophobicContact CB-CD2 4.01Å; L129-L143 HydrophobicContact CB-CG 3.97Å; L129-L143 HydrophobicContact CD2-CD1 3.62Å; L129-L143 HydrophobicContact CD2-CG 4.02Å; L129-L143 HydrophobicContact CG-CD1 4.44Å; L129-A147 HydrophobicContact CD1-CB 3.89Å; L129-A147 HydrophobicContact CD2-CB 4.05Å; L129-L151 HydrophobicContact CD1-CD1 3.85Å; L129-L151 HydrophobicContact CD2-CD1 4.22Å; L129-H154 HydrophobicContact CD1-CB 3.85Å; L129-I155 PolarHBondContact N-O 2.93Å; L129-I156 HydrophobicContact CB-CG1 4.03Å; L129-I156 HydrophobicContact CD1-CG1 4.28Å; L129-I156 WeakPolarHBondContact O-CA 3.41Å; L129-T157 PolarHBondContact O-N 3.27Å; L129-L170 HydrophobicContact CD2-CD1 4.46Å; L129-L170 HydrophobicContact CD2-CG 4.2Å; L129-L170 HydrophobicContact CG-CG 4.32Å
130	L	97.9	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	150.2	-179.3	-53.1	-178.8	0	0	0	110.2	I94 W118 V128 T157 H159 L162 A169 V171	I94-L130 HydrophobicContact CG1-CD1 4.5Å; I94-L130 HydrophobicContact CG2-CD1 3.78Å; W118-L130 HydrophobicContact CH2-CD1 3.83Å; W118-L130 HydrophobicContact CH2-CD2 4.01Å; W118-L130 HydrophobicContact CH2-CG 4.39Å; W118-L130 HydrophobicContact CZ2-CD1 4.14Å; W118-L130 HydrophobicContact CZ2-CD2 3.74Å; V128-L130 HydrophobicContact CG1-CD2 3.65Å; V128-L130 HydrophobicContact CG1-CG 4.32Å; L130-T157 WeakPolarHBondContact CA-O 3.37Å; L130-T157 HydrophobicContact CD2-CG2 3.46Å; L130-T157 VanDerWaalsContact CD2-CG2 3.46Å; L130-H159 HydrophobicContact CB-CB 4.03Å; L130-H159 HydrophobicContact CD1-CB 4.22Å; L130-H159 HydrophobicContact CD2-CB 4.3Å; L130-H159 HydrophobicContact CG-CB 4.42Å; L130-L162 HydrophobicContact CB-CD1 3.86Å; L130-A169 HydrophobicContact CB-CB 4.27Å; L130-A169 PolarHBondContact N-O 2.83Å; L130-A169 PolarHBondContact O-N 2.86Å; L130-V171 HydrophobicContact CD1-CG2 3.88Å; L130-V171 HydrophobicContact CG-CG2 4.16Å
131	Y	96.4	Very high	92.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.9	170.9	63.8	-85.7	0	0	0	111.6	V135 R140 L143 I156 T157 P158 H159 P167	Y131-V135 HydrophobicContact CD2-CG1 3.62Å; Y131-V135 HydrophobicContact CG-CG1 4.12Å; Y131-R140 HydrophobicContact CD2-CG 4.45Å; Y131-R140 HydrophobicContact CE2-CG 4.45Å; Y131-R140 VanDerWaalsContact CZ-CZ 3.42Å; Y131-R140 PolarHBondContact OH-NE 3.11Å; Y131-R140 PolarHBondContact OH-NH1 3.07Å; Y131-R140 PolarHBondContact OH-NH2 2.81Å; Y131-L143 HydrophobicContact CD1-CD2 4.13Å; Y131-I156 HydrophobicContact CD1-CG2 4.12Å; Y131-I156 HydrophobicContact CE1-CG2 3.7Å; Y131-T157 WeakPolarHBondContact CD1-O 3.34Å; Y131-T157 WeakPolarHBondContact CE1-O 3.5Å; Y131-T157 PolarHBondContact N-O 3.35Å; Y131-P158 HydrophobicContact CD2-CB 4.43Å; Y131-P158 HydrophobicContact CE1-CB 4.41Å; Y131-P158 HydrophobicContact CE2-CB 3.72Å; Y131-P158 CarbonylContact O-C 3.53Å; Y131-P158 VanDerWaalsContact O-CA 3.24Å; Y131-P158 WeakPolarHBondContact O-CA 3.49Å; Y131-P158 WeakPolarHBondContact OH-CD 3.34Å; Y131-H159 PolarHBondContact O-N 2.79Å; Y131-P167 CarbonylContact C-O 3.55Å; Y131-P167 VanDerWaalsContact CA-O 3.26Å; Y131-P167 WeakPolarHBondContact CA-O 3.31Å
132	H	94.9	Very high	92.7	Very high	20 Å²	20	43 Å²	43	9%	0.093	22%	0.222	C	C	.	.			trans	-67.2	140	176.2	178.8	-108.3	0	0	0	109.9	C134 V135 L162 P167	H132-C134 VanDerWaalsContact CE1-CB 3.45Å; H132-C134 WeakPolarHBondContact CE1-CB 3.44Å; H132-C134 VanDerWaalsContact CE1-SG 3.54Å; H132-C134 WeakPolarHBondContact ND1-CB 3.24Å; H132-C134 PolarHBondContact ND1-N 3.21Å; H132-C134 PolarHBondContact O-N 2.79Å; H132-V135 WeakPolarHBondContact O-CB 3.34Å; H132-V135 WeakPolarHBondContact O-CG1 3.41Å; H132-V135 PolarHBondContact O-N 2.92Å; H132-L162 HydrophobicContact CB-CB 4.01Å; H132-L162 PolarHBondContact CD2-O 3.04Å; H132-L162 VanDerWaalsContact CD2-O 3.27Å; H132-P167 HydrophobicContact CB-CB 3.95Å; H132-P167 PolarHBondContact N-O 3.39Å
133	P	92.1	Very high	92.6	Very high	28 Å²	28	43 Å²	43	18%	0.182	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14	-178.1	-27.7	35.5	0	0	0	116.5	W53 P158 P160	W53-P133 HydrophobicContact CB-CG 4.39Å; P133-P158 HydrophobicContact CG-CB 4.29Å; P133-P160 HydrophobicContact CG-CB 4.31Å; P133-P160 HydrophobicContact CG-CG 4.03Å
134	C	89.6	Confident	92.8	Very high	43 Å²	43	41.3 Å²	41.3	29%	0.291	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	9.9	172.2	-56.6	0	0	0	0	114.7	C55 H132	C55-C134 VanDerWaalsContact CA-SG 3.55Å; C55-C134 HydrophobicContact CB-CB 3.75Å; C55-C134 WeakPolarHBondContact CB-SG 3.31Å; C55-C134 WeakPolarHBondContact SG-CB 3.37Å; C55-C134 CovalentContact SG-SG 2.02Å; C55-C134 PolarHBondContact SG-SG 2.82Å; H132-C134 VanDerWaalsContact CE1-CB 3.45Å; H132-C134 WeakPolarHBondContact CE1-CB 3.44Å; H132-C134 VanDerWaalsContact CE1-SG 3.54Å; H132-C134 WeakPolarHBondContact ND1-CB 3.24Å; H132-C134 PolarHBondContact ND1-N 3.21Å; H132-C134 PolarHBondContact O-N 2.79Å
135	V	90.7	Very high	93	Very high	17 Å²	17	40 Å²	40	10%	0.103	21%	0.212	C	C	.	.	S	Bend	trans	-60.7	150	172.3	79.5	0	0	0	0	110.4	Y131 H132 E139 R140 P167 I168	Y131-V135 HydrophobicContact CD2-CG1 3.62Å; Y131-V135 HydrophobicContact CG-CG1 4.12Å; H132-V135 WeakPolarHBondContact O-CB 3.34Å; H132-V135 WeakPolarHBondContact O-CG1 3.41Å; H132-V135 PolarHBondContact O-N 2.92Å; V135-E139 HydrophobicContact CG2-CB 3.84Å; V135-E139 HydrophobicContact CG2-CG 4.5Å; V135-R140 HydrophobicContact CG1-CB 3.94Å; V135-P167 HydrophobicContact CB-CB 4.17Å; V135-P167 HydrophobicContact CG2-CB 3.95Å; V135-P167 HydrophobicContact CG2-CG 4.06Å; V135-I168 HydrophobicContact CG2-CD1 4.4Å; V135-I168 HydrophobicContact CG2-CG1 4.11Å
136	E	88	Confident	93.2	Very high	123 Å²	123	39 Å²	39	58%	0.575	20%	0.202	S	C	*	.			trans	-66.6	150.1	178.1	-63.7	-165.6	-174.8	0	0	113	G138 E139 R140	E136-G138 PolarHBondContact O-N 3.37Å; E136-E139 PolarHBondContact O-N 3.49Å; E136-R140 PolarHBondContact O-N 2.88Å
137	L	88.3	Confident	93.2	Very high	145 Å²	145	38.5 Å²	38.5	76%	0.759	20%	0.197	S	C	*	.	H	α-helix	trans	-67	-21	179.4	-62.7	178.8	0	0	0	112.9	R141	L137-R141 VanDerWaalsContact O-CB 3.24Å; L137-R141 WeakPolarHBondContact O-CB 3.41Å; L137-R141 PolarHBondContact O-N 3.26Å
138	G	88.8	Confident	93	Very high	46 Å²	46	42 Å²	42	47%	0.474	21%	0.21	S	C	.	.	H	α-helix	trans	-66.9	-60.6	171.4	0	0	0	0	0	111.3	E136 R140 R141 L142	E136-G138 PolarHBondContact O-N 3.37Å; G138-R140 PolarHBondContact O-N 3.15Å; G138-R141 WeakPolarHBondContact O-CA 3.37Å; G138-R141 WeakPolarHBondContact O-CB 3.45Å; G138-R141 PolarHBondContact O-N 2.82Å; G138-L142 PolarHBondContact O-N 3.47Å
139	E	90.8	Very high	92.7	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-53.1	-49.1	176.6	-69.7	-61.3	160.4	0	0	112.7	V135 E136 R141 L142 L143 I168 T181 V182	V135-E139 HydrophobicContact CG2-CB 3.84Å; V135-E139 HydrophobicContact CG2-CG 4.5Å; E136-E139 PolarHBondContact O-N 3.49Å; E139-R141 PolarHBondContact O-N 2.71Å; E139-L142 WeakPolarHBondContact O-CB 3.22Å; E139-L142 PolarHBondContact O-N 3.44Å; E139-L142 VanDerWaalsContact O-N 3.11Å; E139-L143 WeakPolarHBondContact O-CB 3.17Å; E139-L143 PolarHBondContact O-N 2.92Å; E139-I168 HydrophobicContact CB-CD1 4.27Å; E139-I168 HydrophobicContact CG-CD1 4.39Å; E139-T181 VanDerWaalsContact CD-OG1 3.25Å; E139-T181 VanDerWaalsContact OE1-CB 3.3Å; E139-T181 WeakPolarHBondContact OE1-CB 3.33Å; E139-T181 PolarHBondContact OE1-OG1 3.05Å; E139-T181 PolarHBondContact OE2-OG1 2.74Å; E139-V182 WeakPolarHBondContact OE2-CG2 3.39Å; E139-V182 PolarHBondContact OE2-N 2.58Å
140	R	92	Very high	92.4	Very high	97 Å²	97	45.4 Å²	45.4	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-30.6	177.6	-175.3	176.5	168	175.3	0.9	113	Y131 V135 E136 G138 S144	Y131-R140 HydrophobicContact CD2-CG 4.45Å; Y131-R140 HydrophobicContact CE2-CG 4.45Å; Y131-R140 VanDerWaalsContact CZ-CZ 3.42Å; Y131-R140 PolarHBondContact OH-NE 3.11Å; Y131-R140 PolarHBondContact OH-NH1 3.07Å; Y131-R140 PolarHBondContact OH-NH2 2.81Å; V135-R140 HydrophobicContact CG1-CB 3.94Å; E136-R140 PolarHBondContact O-N 2.88Å; G138-R140 PolarHBondContact O-N 3.15Å; R140-S144 WeakPolarHBondContact O-CB 3.31Å; R140-S144 PolarHBondContact O-N 2.89Å; R140-S144 VanDerWaalsContact O-N 3.15Å
141	R	92.4	Very high	92.1	Very high	170 Å²	170	45.7 Å²	45.7	64%	0.642	24%	0.235	S	C	*	.	H	α-helix	trans	-74.4	-40.1	174.1	178.2	-179.5	171.6	-161.4	-7.2	111.3	L137 G138 E139 S144 V145	L137-R141 VanDerWaalsContact O-CB 3.24Å; L137-R141 WeakPolarHBondContact O-CB 3.41Å; L137-R141 PolarHBondContact O-N 3.26Å; G138-R141 WeakPolarHBondContact O-CA 3.37Å; G138-R141 WeakPolarHBondContact O-CB 3.45Å; G138-R141 PolarHBondContact O-N 2.82Å; E139-R141 PolarHBondContact O-N 2.71Å; R141-S144 PolarHBondContact O-N 3.5Å; R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.2Å
142	L	93.3	Very high	91.6	Very high	14 Å²	14	49.5 Å²	49.5	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-48.4	174.4	178.8	52.5	0	0	0	110.3	G138 E139 S144 V145 L146 V182 A183 I241 L244	G138-L142 PolarHBondContact O-N 3.47Å; E139-L142 WeakPolarHBondContact O-CB 3.22Å; E139-L142 PolarHBondContact O-N 3.44Å; E139-L142 VanDerWaalsContact O-N 3.11Å; L142-S144 PolarHBondContact O-N 3.4Å; L142-V145 PolarHBondContact O-N 3.07Å; L142-L146 WeakPolarHBondContact O-CB 3.26Å; L142-L146 PolarHBondContact O-N 2.87Å; L142-V182 HydrophobicContact CB-CB 4.42Å; L142-V182 HydrophobicContact CD2-CB 3.81Å; L142-V182 HydrophobicContact CD2-CG1 4.28Å; L142-V182 HydrophobicContact CG-CB 3.82Å; L142-V182 HydrophobicContact CG-CG1 3.85Å; L142-A183 HydrophobicContact CD2-CB 3.99Å; L142-I241 HydrophobicContact CD1-CG1 4.29Å; L142-L244 HydrophobicContact CD1-CB 4.01Å; L142-L244 HydrophobicContact CD1-CD1 3.35Å; L142-L244 HydrophobicContact CD1-CG 4.3Å
143	L	94.3	Very high	91.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-54.4	-47.5	173.3	-158.3	72.2	0	0	0	112.9	L129 Y131 E139 V145 A147 I168 L170 V182	L129-L143 HydrophobicContact CB-CD1 4.03Å; L129-L143 HydrophobicContact CB-CD2 4.01Å; L129-L143 HydrophobicContact CB-CG 3.97Å; L129-L143 HydrophobicContact CD2-CD1 3.62Å; L129-L143 HydrophobicContact CD2-CG 4.02Å; L129-L143 HydrophobicContact CG-CD1 4.44Å; Y131-L143 HydrophobicContact CD1-CD2 4.13Å; E139-L143 WeakPolarHBondContact O-CB 3.17Å; E139-L143 PolarHBondContact O-N 2.92Å; L143-V145 PolarHBondContact O-N 3.09Å; L143-A147 WeakPolarHBondContact O-CB 2.98Å; L143-A147 PolarHBondContact O-N 3.41Å; L143-I168 HydrophobicContact CD1-CG2 4.13Å; L143-L170 HydrophobicContact CD1-CD1 4.38Å; L143-V182 HydrophobicContact CB-CG2 4.08Å; L143-V182 HydrophobicContact CD1-CG1 4.12Å; L143-V182 HydrophobicContact CD1-CG2 3.69Å; L143-V182 HydrophobicContact CG-CG2 4.48Å
144	S	94.3	Very high	91.5	Very high	16 Å²	16	47.9 Å²	47.9	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-35.8	178.1	164.5	0	0	0	0	113.5	E109 R140 R141 L142 R148	E109-S144 PolarHBondContact OE1-OG 3.01Å; R140-S144 WeakPolarHBondContact O-CB 3.31Å; R140-S144 PolarHBondContact O-N 2.89Å; R140-S144 VanDerWaalsContact O-N 3.15Å; R141-S144 PolarHBondContact O-N 3.5Å; L142-S144 PolarHBondContact O-N 3.4Å; S144-R148 VanDerWaalsContact O-CB 3.27Å; S144-R148 WeakPolarHBondContact O-CB 3.24Å; S144-R148 WeakPolarHBondContact O-CD 3.42Å; S144-R148 WeakPolarHBondContact O-CG 3.39Å; S144-R148 PolarHBondContact O-N 2.9Å
145	V	93.8	Very high	91.9	Very high	38 Å²	38	45.8 Å²	45.8	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-77.7	-48	178.2	179.7	0	0	0	0	110.5	R141 L142 L143 A147 R148 S149 T240 L244	R141-V145 WeakPolarHBondContact O-CG2 3.48Å; R141-V145 PolarHBondContact O-N 3.2Å; L142-V145 PolarHBondContact O-N 3.07Å; L143-V145 PolarHBondContact O-N 3.09Å; V145-A147 PolarHBondContact O-N 3.32Å; V145-R148 PolarHBondContact O-N 3.15Å; V145-R148 VanDerWaalsContact O-N 3.17Å; V145-S149 WeakPolarHBondContact O-CB 3.44Å; V145-S149 PolarHBondContact O-N 2.74Å; V145-S149 PolarHBondContact O-OG 2.88Å; V145-T240 HydrophobicContact CG1-CG2 3.87Å; V145-L244 HydrophobicContact CB-CD1 3.81Å; V145-L244 HydrophobicContact CG1-CD1 3.83Å; V145-L244 HydrophobicContact CG2-CD1 4.42Å
146	L	94.1	Very high	92.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-53.4	-53.4	178.3	-168.1	168.7	0	0	0	111.3	L142 R148 S149 C150 V182 V187 L191 T240 I241	L142-L146 WeakPolarHBondContact O-CB 3.26Å; L142-L146 PolarHBondContact O-N 2.87Å; L146-R148 VanDerWaalsContact C-N 3.31Å; L146-R148 PolarHBondContact O-N 3.17Å; L146-S149 PolarHBondContact O-N 2.9Å; L146-C150 PolarHBondContact O-N 3.43Å; L146-V182 HydrophobicContact CD1-CG1 3.72Å; L146-V187 HydrophobicContact CD1-CG1 4.11Å; L146-L191 HydrophobicContact CD2-CD1 3.64Å; L146-T240 HydrophobicContact CB-CG2 4.4Å; L146-I241 HydrophobicContact CD1-CD1 4.11Å; L146-I241 HydrophobicContact CD1-CG1 4.11Å
147	A	93.9	Very high	92.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-39.3	-180	0	0	0	0	0	113	L129 L143 V145 L151 H154 I156	L129-A147 HydrophobicContact CD1-CB 3.89Å; L129-A147 HydrophobicContact CD2-CB 4.05Å; L143-A147 WeakPolarHBondContact O-CB 2.98Å; L143-A147 PolarHBondContact O-N 3.41Å; V145-A147 PolarHBondContact O-N 3.32Å; A147-L151 HydrophobicContact CB-CD1 4Å; A147-L151 WeakPolarHBondContact O-CB 3.24Å; A147-L151 PolarHBondContact O-N 3.01Å; A147-H154 HydrophobicContact CB-CB 4.2Å; A147-H154 PolarHBondContact O-CE1 2.98Å; A147-H154 PolarHBondContact O-ND1 3.46Å; A147-H154 VanDerWaalsContact O-ND1 3.08Å; A147-I156 HydrophobicContact CB-CD1 3.8Å; A147-I156 HydrophobicContact CB-CG1 4.4Å
148	R	92.2	Very high	93	Very high	76 Å²	76	32.6 Å²	32.6	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-78.9	-23.3	-178.1	-72.6	176.9	51.5	-94	-15.5	114.1	E109 S144 V145 L146 Q221	E109-R148 VanDerWaalsContact OE1-CD 3.25Å; E109-R148 WeakPolarHBondContact OE1-CD 3.13Å; S144-R148 VanDerWaalsContact O-CB 3.27Å; S144-R148 WeakPolarHBondContact O-CB 3.24Å; S144-R148 WeakPolarHBondContact O-CD 3.42Å; S144-R148 WeakPolarHBondContact O-CG 3.39Å; S144-R148 PolarHBondContact O-N 2.9Å; V145-R148 PolarHBondContact O-N 3.15Å; V145-R148 VanDerWaalsContact O-N 3.17Å; L146-R148 VanDerWaalsContact C-N 3.31Å; L146-R148 PolarHBondContact O-N 3.17Å; R148-Q221 PolarHBondContact O-NE2 3.15Å
149	S	91.2	Very high	93.3	Very high	60 Å²	60	30.8 Å²	30.8	42%	0.42	15%	0.153	S	C	.	.	H	α-helix	trans	-83.5	-40.3	174.9	-65.6	0	0	0	0	112.4	V145 L146	V145-S149 WeakPolarHBondContact O-CB 3.44Å; V145-S149 PolarHBondContact O-N 2.74Å; V145-S149 PolarHBondContact O-OG 2.88Å; L146-S149 PolarHBondContact O-N 2.9Å
150	C	91.8	Very high	93.2	Very high	13 Å²	13	31.1 Å²	31.1	9%	0.088	16%	0.159	C	C	.	.	H	α-helix	trans	-118.4	-13.6	-161.6	-53.1	0	0	0	0	115.7	L146 C236 C237	L146-C150 PolarHBondContact O-N 3.43Å; C150-C236 WeakPolarHBondContact CA-SG 3.32Å; C150-C236 HydrophobicContact CB-CB 3.77Å; C150-C236 WeakPolarHBondContact CB-SG 3.49Å; C150-C236 WeakPolarHBondContact SG-CB 3.42Å; C150-C236 PolarHBondContact SG-O 3.15Å; C150-C236 CovalentContact SG-SG 2.04Å; C150-C236 PolarHBondContact SG-SG 3.42Å; C150-C237 PolarHBondContact SG-N 2.91Å
151	L	91.2	Very high	93.1	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	17%	0.17	C	C	.	.			trans	-109	118.8	-172.3	-54.2	-179.1	0	0	0	111.9	T127 L129 A147 G153 H154 L191 V233	T127-L151 HydrophobicContact CG2-CD1 4.3Å; L129-L151 HydrophobicContact CD1-CD1 3.85Å; L129-L151 HydrophobicContact CD2-CD1 4.22Å; A147-L151 HydrophobicContact CB-CD1 4Å; A147-L151 WeakPolarHBondContact O-CB 3.24Å; A147-L151 PolarHBondContact O-N 3.01Å; L151-G153 PolarHBondContact O-N 2.96Å; L151-G153 VanDerWaalsContact O-N 3.1Å; L151-H154 HydrophobicContact CB-CB 4.18Å; L151-H154 HydrophobicContact CD1-CB 4.28Å; L151-L191 HydrophobicContact CD1-CD2 4.19Å; L151-L191 HydrophobicContact CD2-CD1 4.22Å; L151-L191 HydrophobicContact CD2-CD2 3.78Å; L151-L191 HydrophobicContact CD2-CG 4.47Å; L151-V233 HydrophobicContact CD2-CG1 3.93Å
152	P	85.2	Confident	93.2	Very high	84 Å²	84	24.9 Å²	24.9	55%	0.545	14%	0.141	S	C	.	.	S	Bend	trans	-69.7	-8.6	-175.9	30	-37.4	0	0	0	113.9	R198	P152-R198 VanDerWaalsContact CG-NH1 3.35Å
153	G	90.1	Very high	93	Very high	12 Å²	12	26.7 Å²	26.7	12%	0.124	16%	0.155	C	C	.	.	S	Bend	trans	-164.4	121.6	170.5	0	0	0	0	0	109	A126 T127 L151	A126-G153 WeakPolarHBondContact CA-O 3.35Å; A126-G153 WeakPolarHBondContact CB-O 3.27Å; T127-G153 PolarHBondContact N-O 2.8Å; T127-G153 VanDerWaalsContact N-O 3.11Å; L151-G153 PolarHBondContact O-N 2.96Å; L151-G153 VanDerWaalsContact O-N 3.1Å
154	H	95.7	Very high	92.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.9	-178.9	61.8	-95.7	0	0	0	113.4	S107 G108 T127 L129 A147 L151	S107-H154 CarbonylContact C-O 3.49Å; S107-H154 VanDerWaalsContact CA-O 3.23Å; S107-H154 WeakPolarHBondContact CA-O 3.49Å; S107-H154 WeakPolarHBondContact CB-O 3.38Å; S107-H154 PolarHBondContact OG-N 2.89Å; S107-H154 PolarHBondContact OG-O 2.88Å; G108-H154 PolarHBondContact N-O 3.02Å; T127-H154 WeakPolarHBondContact O-CA 3.39Å; L129-H154 HydrophobicContact CD1-CB 3.85Å; A147-H154 HydrophobicContact CB-CB 4.2Å; A147-H154 PolarHBondContact O-CE1 2.98Å; A147-H154 PolarHBondContact O-ND1 3.46Å; A147-H154 VanDerWaalsContact O-ND1 3.08Å; L151-H154 HydrophobicContact CB-CB 4.18Å; L151-H154 HydrophobicContact CD1-CB 4.28Å
155	I	97.9	Very high	92.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.6	162.9	-55.2	-67.6	0	0	0	108.1	A105 E106 G108 Y110 C113 W118 N121 T127 V128 L129 T157	A105-I155 HydrophobicContact CB-CD1 3.67Å; A105-I155 HydrophobicContact CB-CG1 4.47Å; E106-I155 VanDerWaalsContact O-CD1 3.28Å; E106-I155 WeakPolarHBondContact O-CD1 3.27Å; G108-I155 WeakPolarHBondContact O-CA 3.37Å; Y110-I155 HydrophobicContact CD2-CG2 3.91Å; Y110-I155 HydrophobicContact CE2-CD1 3.86Å; Y110-I155 HydrophobicContact CE2-CG2 4.12Å; C113-I155 HydrophobicContact CB-CG2 3.98Å; W118-I155 HydrophobicContact CB-CG1 4.27Å; W118-I155 HydrophobicContact CB-CG2 4.43Å; N121-I155 HydrophobicContact CB-CG1 4.26Å; T127-I155 PolarHBondContact O-N 2.87Å; T127-I155 VanDerWaalsContact O-N 3.09Å; V128-I155 WeakPolarHBondContact CA-O 3.12Å; V128-I155 HydrophobicContact CG1-CB 4.13Å; V128-I155 HydrophobicContact CG1-CG2 4.4Å; V128-I155 HydrophobicContact CG2-CB 3.99Å; V128-I155 HydrophobicContact CG2-CG1 4.26Å; L129-I155 PolarHBondContact N-O 2.93Å; I155-T157 HydrophobicContact CG2-CG2 4.41Å
156	I	97.9	Very high	92.2	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.2	169.2	-69.9	157.4	0	0	0	108.2	G108 E109 Y110 L129 Y131 A147	G108-I156 PolarHBondContact O-N 3.27Å; E109-I156 HydrophobicContact CB-CB 4.43Å; E109-I156 HydrophobicContact CG-CB 4.27Å; E109-I156 HydrophobicContact CG-CD1 3.92Å; Y110-I156 PolarHBondContact N-O 3.11Å; L129-I156 HydrophobicContact CB-CG1 4.03Å; L129-I156 HydrophobicContact CD1-CG1 4.28Å; L129-I156 WeakPolarHBondContact O-CA 3.41Å; Y131-I156 HydrophobicContact CD1-CG2 4.12Å; Y131-I156 HydrophobicContact CE1-CG2 3.7Å; A147-I156 HydrophobicContact CB-CD1 3.8Å; A147-I156 HydrophobicContact CB-CG1 4.4Å
157	T	96.8	Very high	92.2	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.3	-178.5	179.7	0	0	0	0	110.5	Y112 C113 V128 L129 L130 Y131 I155	Y112-T157 WeakPolarHBondContact CD2-OG1 3.3Å; C113-T157 HydrophobicContact CB-CG2 4.28Å; C113-T157 PolarHBondContact N-OG1 2.84Å; V128-T157 HydrophobicContact CG1-CG2 4.4Å; L129-T157 PolarHBondContact O-N 3.27Å; L130-T157 WeakPolarHBondContact CA-O 3.37Å; L130-T157 HydrophobicContact CD2-CG2 3.46Å; L130-T157 VanDerWaalsContact CD2-CG2 3.46Å; Y131-T157 WeakPolarHBondContact CD1-O 3.34Å; Y131-T157 WeakPolarHBondContact CE1-O 3.5Å; Y131-T157 PolarHBondContact N-O 3.35Å; I155-T157 HydrophobicContact CG2-CG2 4.41Å
158	P	95.2	Very high	92.3	Very high	3 Å²	3	35 Å²	35	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	149.3	168.9	27.7	-29.5	0	0	0	110.3	W53 L111 Y131 P133	W53-P158 HydrophobicContact CE3-CB 4.43Å; W53-P158 HydrophobicContact CE3-CG 4.11Å; L111-P158 WeakPolarHBondContact O-CD 3.36Å; L111-P158 WeakPolarHBondContact O-CG 3.34Å; Y131-P158 HydrophobicContact CD2-CB 4.43Å; Y131-P158 HydrophobicContact CE1-CB 4.41Å; Y131-P158 HydrophobicContact CE2-CB 3.72Å; Y131-P158 CarbonylContact O-C 3.53Å; Y131-P158 VanDerWaalsContact O-CA 3.24Å; Y131-P158 WeakPolarHBondContact O-CA 3.49Å; Y131-P158 WeakPolarHBondContact OH-CD 3.34Å; P133-P158 HydrophobicContact CG-CB 4.29Å
159	H	94.6	Very high	92.6	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.032	17%	0.173	C	C	.	.			trans	-137.4	102.4	174.4	-164.3	41.3	0	0	0	110.7	S93 L130 Y131 Q161 L162	S93-H159 PolarHBondContact O-CE1 3.48Å; S93-H159 PolarHBondContact O-NE2 2.68Å; L130-H159 HydrophobicContact CB-CB 4.03Å; L130-H159 HydrophobicContact CD1-CB 4.22Å; L130-H159 HydrophobicContact CD2-CB 4.3Å; L130-H159 HydrophobicContact CG-CB 4.42Å; Y131-H159 PolarHBondContact O-N 2.79Å; H159-Q161 PolarHBondContact CE1-OE1 3.26Å; H159-Q161 PolarHBondContact NE2-OE1 3.39Å; H159-Q161 PolarHBondContact O-N 2.88Å; H159-L162 HydrophobicContact CB-CD1 4.17Å; H159-L162 HydrophobicContact CB-CG 4.15Å; H159-L162 PolarHBondContact O-N 3.18Å
160	P	89.8	Confident	92.9	Very high	50 Å²	50	28.6 Å²	28.6	33%	0.325	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.1	-176.1	-21.2	32	0	0	0	115.4	W53 P133 L162	W53-P160 HydrophobicContact CD2-CG 3.43Å; W53-P160 VanDerWaalsContact CD2-CG 3.43Å; W53-P160 VanDerWaalsContact CE3-CD 3.47Å; W53-P160 HydrophobicContact CE3-CG 3.38Å; W53-P160 HydrophobicContact CG-CG 4.06Å; W53-P160 HydrophobicContact CH2-CG 3.76Å; W53-P160 HydrophobicContact CZ2-CG 3.82Å; W53-P160 HydrophobicContact CZ3-CG 3.53Å; P133-P160 HydrophobicContact CG-CB 4.31Å; P133-P160 HydrophobicContact CG-CG 4.03Å; P160-L162 VanDerWaalsContact C-N 3.34Å
161	Q	90.2	Very high	93.2	Very high	127 Å²	127	28 Å²	28	59%	0.593	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.7	179.5	-64.1	173.7	-28.8	0	0	113.2	S93 H159	S93-Q161 PolarHBondContact O-OE1 2.89Å; H159-Q161 PolarHBondContact CE1-OE1 3.26Å; H159-Q161 PolarHBondContact NE2-OE1 3.39Å; H159-Q161 PolarHBondContact O-N 2.88Å
162	L	93	Very high	93.4	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.042	15%	0.153	C	C	.	.	S	Bend	trans	-68.8	146.7	169.4	-69.4	176.5	0	0	0	110.9	I94 L130 H132 H159 P160 A169	I94-L162 HydrophobicContact CD1-CD2 3.51Å; I94-L162 HydrophobicContact CG1-CD2 4.14Å; L130-L162 HydrophobicContact CB-CD1 3.86Å; H132-L162 HydrophobicContact CB-CB 4.01Å; H132-L162 PolarHBondContact CD2-O 3.04Å; H132-L162 VanDerWaalsContact CD2-O 3.27Å; H159-L162 HydrophobicContact CB-CD1 4.17Å; H159-L162 HydrophobicContact CB-CG 4.15Å; H159-L162 PolarHBondContact O-N 3.18Å; P160-L162 VanDerWaalsContact C-N 3.34Å; L162-A169 HydrophobicContact CD1-CB 4.36Å; L162-A169 HydrophobicContact CD2-CB 3.73Å
163	S	89.4	Confident	93.9	Very high	53 Å²	53	27.6 Å²	27.6	37%	0.371	14%	0.139	S	C	.	.			trans	-62.1	159	171.5	-179.6	0	0	0	0	111.4	D165 M166 P167	S163-D165 VanDerWaalsContact C-N 3.28Å; S163-D165 PolarHBondContact OG-N 3.39Å; S163-D165 VanDerWaalsContact OG-N 3.11Å; S163-D165 PolarHBondContact OG-OD2 2.89Å; S163-M166 CarbonylContact O-C 3.54Å; S163-P167 VanDerWaalsContact O-CA 3.31Å; S163-P167 WeakPolarHBondContact O-CA 3.07Å
164	R	87.1	Confident	94.1	Very high	138 Å²	138	27.3 Å²	27.3	52%	0.521	14%	0.136	S	C	.	.	S	Bend	trans	-73.5	-26.6	168.2	-66	-174.9	-179	-174.4	5.1	111.9	R60	R60-R164 PolarHBondContact NH1-O 3.31Å
165	D	87.9	Confident	94	Very high	76 Å²	76	30.2 Å²	30.2	41%	0.406	15%	0.147	S	C	.	.	S	Bend	trans	-83.9	-34.2	-176.2	-49.9	-58.8	0	0	0	110.8	L67 S163 P167	L67-D165 HydrophobicContact CD1-CB 3.71Å; S163-D165 VanDerWaalsContact C-N 3.28Å; S163-D165 PolarHBondContact OG-N 3.39Å; S163-D165 VanDerWaalsContact OG-N 3.11Å; S163-D165 PolarHBondContact OG-OD2 2.89Å; D165-P167 WeakPolarHBondContact O-CD 3.35Å
166	M	91.4	Very high	94	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.054	15%	0.149	C	C	.	.	S	Bend	trans	-110.8	69.6	167.8	-57.7	-61.3	-97.9	0	0	110.6	L67 P68 I70 S163 I168 E178 L179 T180	L67-M166 HydrophobicContact CB-SD 3.91Å; L67-M166 HydrophobicContact CD1-CG 4.43Å; L67-M166 HydrophobicContact CD1-SD 4.2Å; P68-M166 WeakPolarHBondContact O-CE 3.04Å; I70-M166 HydrophobicContact CB-CE 4.45Å; I70-M166 HydrophobicContact CD1-CE 4.02Å; I70-M166 HydrophobicContact CG1-CE 3.94Å; S163-M166 CarbonylContact O-C 3.54Å; M166-I168 PolarHBondContact O-N 3.15Å; M166-E178 HydrophobicContact CB-CB 4.32Å; M166-E178 HydrophobicContact CE-CB 4.23Å; M166-E178 VanDerWaalsContact CE-O 3.24Å; M166-E178 WeakPolarHBondContact CE-O 3.38Å; M166-L179 CarbonylContact C-O 3.5Å; M166-L179 WeakPolarHBondContact CA-O 3.07Å; M166-T180 HydrophobicContact SD-CG2 3.6Å; M166-T180 VanDerWaalsContact SD-CG2 3.6Å
167	P	94.4	Very high	93.9	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.026	15%	0.149	C	C	.	.			trans	-79.7	6.7	-169	36.2	-40.2	0	0	0	114.3	Y131 H132 V135 S163 D165 L179	Y131-P167 CarbonylContact C-O 3.55Å; Y131-P167 VanDerWaalsContact CA-O 3.26Å; Y131-P167 WeakPolarHBondContact CA-O 3.31Å; H132-P167 HydrophobicContact CB-CB 3.95Å; H132-P167 PolarHBondContact N-O 3.39Å; V135-P167 HydrophobicContact CB-CB 4.17Å; V135-P167 HydrophobicContact CG2-CB 3.95Å; V135-P167 HydrophobicContact CG2-CG 4.06Å; S163-P167 VanDerWaalsContact O-CA 3.31Å; S163-P167 WeakPolarHBondContact O-CA 3.07Å; D165-P167 WeakPolarHBondContact O-CD 3.35Å; P167-L179 WeakPolarHBondContact CD-O 3.21Å
168	I	96.4	Very high	93.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.2	-177.4	-63.6	145.4	0	0	0	108.2	V135 E139 L143 M166 L170 L179 V182	V135-I168 HydrophobicContact CG2-CD1 4.4Å; V135-I168 HydrophobicContact CG2-CG1 4.11Å; E139-I168 HydrophobicContact CB-CD1 4.27Å; E139-I168 HydrophobicContact CG-CD1 4.39Å; L143-I168 HydrophobicContact CD1-CG2 4.13Å; M166-I168 PolarHBondContact O-N 3.15Å; I168-L170 HydrophobicContact CG2-CD1 4.16Å; I168-L179 HydrophobicContact CB-CB 4.14Å; I168-L179 HydrophobicContact CG2-CB 4.25Å; I168-L179 HydrophobicContact CG2-CD1 4.13Å; I168-L179 PolarHBondContact N-O 2.81Å; I168-L179 PolarHBondContact O-N 2.83Å; I168-V182 HydrophobicContact CD1-CG2 3.69Å; I168-V182 HydrophobicContact CG1-CG2 4.23Å; I168-V182 HydrophobicContact CG2-CG2 4.16Å
169	A	97.4	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.1	167.2	0	0	0	0	0	112.2	I94 L130 L162 L177 E178	I94-A169 HydrophobicContact CD1-CB 3.83Å; L130-A169 HydrophobicContact CB-CB 4.27Å; L130-A169 PolarHBondContact N-O 2.83Å; L130-A169 PolarHBondContact O-N 2.86Å; L162-A169 HydrophobicContact CD1-CB 4.36Å; L162-A169 HydrophobicContact CD2-CB 3.73Å; A169-L177 CarbonylContact C-O 3.59Å; A169-L177 VanDerWaalsContact CA-O 3.25Å; A169-L177 WeakPolarHBondContact CA-O 3.03Å; A169-E178 HydrophobicContact CB-CG 3.98Å
170	L	97.8	Very high	93.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.8	167.2	-80.4	66.2	0	0	0	109.2	V128 L129 L143 I168 T176 L177 L179 V187 W190 L191	V128-L170 CarbonylContact O-C 3.56Å; V128-L170 WeakPolarHBondContact O-CA 3.49Å; L129-L170 HydrophobicContact CD2-CD1 4.46Å; L129-L170 HydrophobicContact CD2-CG 4.2Å; L129-L170 HydrophobicContact CG-CG 4.32Å; L143-L170 HydrophobicContact CD1-CD1 4.38Å; I168-L170 HydrophobicContact CG2-CD1 4.16Å; L170-T176 CarbonylContact O-C 3.38Å; L170-T176 VanDerWaalsContact O-CA 3.31Å; L170-T176 WeakPolarHBondContact O-CA 3.41Å; L170-L177 HydrophobicContact CB-CB 4.34Å; L170-L177 PolarHBondContact N-O 3.21Å; L170-L177 PolarHBondContact O-N 2.66Å; L170-L179 HydrophobicContact CD1-CD1 3.84Å; L170-V187 HydrophobicContact CD2-CG1 3.83Å; L170-W190 HydrophobicContact CB-CE3 4.14Å; L170-W190 HydrophobicContact CB-CH2 3.92Å; L170-W190 HydrophobicContact CB-CZ3 3.66Å; L170-W190 HydrophobicContact CD2-CE3 4.03Å; L170-W190 HydrophobicContact CD2-CZ3 4.09Å; L170-W190 HydrophobicContact CG-CZ3 4.49Å; L170-L191 HydrophobicContact CD2-CD1 4.17Å; L170-L191 HydrophobicContact CD2-CD2 3.77Å; L170-L191 HydrophobicContact CD2-CG 3.86Å
171	V	97.6	Very high	93.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134	-177.3	-165	0	0	0	0	110.8	I94 W118 L122 V128 L130 T176	I94-V171 HydrophobicContact CG2-CG1 4.48Å; I94-V171 HydrophobicContact CG2-CG2 3.6Å; W118-V171 HydrophobicContact CH2-CG2 4.41Å; W118-V171 HydrophobicContact CZ3-CB 4.23Å; W118-V171 HydrophobicContact CZ3-CG1 4.11Å; W118-V171 HydrophobicContact CZ3-CG2 4.21Å; L122-V171 HydrophobicContact CD1-CG1 3.7Å; L122-V171 HydrophobicContact CD2-CB 4.12Å; L122-V171 HydrophobicContact CD2-CG1 3.97Å; L122-V171 VanDerWaalsContact CD2-O 3.26Å; L122-V171 WeakPolarHBondContact CD2-O 3.25Å; V128-V171 HydrophobicContact CB-CB 4.32Å; V128-V171 PolarHBondContact N-O 3.34Å; V128-V171 PolarHBondContact O-N 2.91Å; L130-V171 HydrophobicContact CD1-CG2 3.88Å; L130-V171 HydrophobicContact CG-CG2 4.16Å; V171-T176 HydrophobicContact CB-CG2 4.46Å; V171-T176 HydrophobicContact CG1-CG2 3.88Å; V171-T176 HydrophobicContact CG2-CG2 4.16Å
172	S	96.2	Very high	93.8	Very high	15 Å²	15	27.1 Å²	27.1	11%	0.105	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	173.7	166.8	65.9	0	0	0	0	108.7	G174 R175 T194	S172-G174 PolarHBondContact O-N 2.88Å; S172-G174 VanDerWaalsContact O-N 3.07Å; S172-R175 PolarHBondContact N-O 2.8Å; S172-R175 PolarHBondContact O-N 3.38Å; S172-R175 VanDerWaalsContact O-O 3.08Å; S172-T194 VanDerWaalsContact OG-CG2 3.26Å; S172-T194 WeakPolarHBondContact OG-CG2 3.46Å
173	W	94.6	Very high	93.6	Very high	66 Å²	66	28.4 Å²	28.4	25%	0.25	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	118.1	175.8	-169	-97.3	0	0	0	111	E77 A79 S96 G98 F100 L122 H123 R175	E77-W173 WeakPolarHBondContact O-CZ2 3.27Å; A79-W173 HydrophobicContact CB-CH2 3.85Å; A79-W173 HydrophobicContact CB-CZ2 3.84Å; S96-W173 CarbonylContact O-C 3.58Å; S96-W173 WeakPolarHBondContact O-CA 3.22Å; G98-W173 WeakPolarHBondContact O-CH2 3.25Å; F100-W173 HydrophobicContact CD1-CH2 4.23Å; F100-W173 HydrophobicContact CD1-CZ3 4.18Å; F100-W173 AromaticContact CE1-CH2 3.94Å; F100-W173 HydrophobicContact CE1-CH2 3.94Å; F100-W173 HydrophobicContact CE1-CZ3 4.06Å; L122-W173 HydrophobicContact CB-CE3 3.91Å; H123-W173 HydrophobicContact CB-CD2 4.42Å; H123-W173 HydrophobicContact CB-CE3 3.78Å; H123-W173 HydrophobicContact CB-CH2 4.3Å; H123-W173 HydrophobicContact CB-CZ3 3.71Å; W173-R175 VanDerWaalsContact C-N 3.34Å; W173-R175 PolarHBondContact O-N 2.8Å
174	G	94.1	Very high	93.4	Very high	6 Å²	6	27 Å²	27	6%	0.062	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	13.1	-179.7	0	0	0	0	0	116.6	C74 S96 S172	C74-G174 PolarHBondContact N-O 3.47Å; S96-G174 PolarHBondContact O-N 2.82Å; S172-G174 PolarHBondContact O-N 2.88Å; S172-G174 VanDerWaalsContact O-N 3.07Å
175	R	95.1	Very high	93.4	Very high	63 Å²	63	24.1 Å²	24.1	24%	0.238	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	142.1	178	-167.4	-179.1	-175.3	175.4	-0.9	112.7	D71 T72 V73 S172 W173 W190	D71-R175 WeakPolarHBondContact OD1-CG 3.5Å; D71-R175 IonicContact OD1-CZ 2.8Å; D71-R175 IonicContact OD1-NE 3.96Å; D71-R175 PolarHBondContact OD1-NE 3.35Å; D71-R175 IonicContact OD1-NH2 3.59Å; D71-R175 IonicContact OD2-CZ 3.22Å; D71-R175 VanDerWaalsContact OD2-CZ 3.28Å; D71-R175 IonicContact OD2-NE 2.93Å; D71-R175 PolarHBondContact OD2-NE 3.45Å; D71-R175 VanDerWaalsContact OD2-NE 3.14Å; D71-R175 IonicContact OD2-NH2 2.72Å; D71-R175 PolarHBondContact OD2-NH2 2.99Å; T72-R175 VanDerWaalsContact O-CA 3.32Å; T72-R175 WeakPolarHBondContact O-CA 3.23Å; T72-R175 WeakPolarHBondContact O-CG 3.21Å; V73-R175 HydrophobicContact CG2-CG 4.06Å; S172-R175 PolarHBondContact N-O 2.8Å; S172-R175 PolarHBondContact O-N 3.38Å; S172-R175 VanDerWaalsContact O-O 3.08Å; W173-R175 VanDerWaalsContact C-N 3.34Å; W173-R175 PolarHBondContact O-N 2.8Å; R175-W190 HydrophobicContact CB-CZ2 4.26Å; R175-W190 HydrophobicContact CG-CZ2 3.99Å; R175-W190 VanDerWaalsContact NE-NE1 3.16Å
176	T	96.8	Very high	93.6	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.049	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.5	177.5	50.2	0	0	0	0	110.8	D71 T72 I94 L170 V171	D71-T176 CarbonylContact C-O 3.58Å; D71-T176 WeakPolarHBondContact CA-O 3.32Å; T72-T176 PolarHBondContact N-O 2.94Å; T72-T176 PolarHBondContact O-N 3.36Å; I94-T176 HydrophobicContact CB-CG2 4.15Å; I94-T176 HydrophobicContact CG2-CG2 3.54Å; L170-T176 CarbonylContact O-C 3.38Å; L170-T176 VanDerWaalsContact O-CA 3.31Å; L170-T176 WeakPolarHBondContact O-CA 3.41Å; V171-T176 HydrophobicContact CB-CG2 4.46Å; V171-T176 HydrophobicContact CG1-CG2 3.88Å; V171-T176 HydrophobicContact CG2-CG2 4.16Å
177	L	97.1	Very high	93.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	105.9	172.4	178.3	73.6	0	0	0	108.9	I70 D71 A169 L170 L179 W190	I70-L177 WeakPolarHBondContact O-CA 3.21Å; D71-L177 HydrophobicContact CB-CD1 3.79Å; A169-L177 CarbonylContact C-O 3.59Å; A169-L177 VanDerWaalsContact CA-O 3.25Å; A169-L177 WeakPolarHBondContact CA-O 3.03Å; L170-L177 HydrophobicContact CB-CB 4.34Å; L170-L177 PolarHBondContact N-O 3.21Å; L170-L177 PolarHBondContact O-N 2.66Å; L177-L179 HydrophobicContact CD1-CD2 4.27Å; L177-L179 HydrophobicContact CD2-CD1 4.07Å; L177-L179 HydrophobicContact CD2-CD2 4Å; L177-L179 HydrophobicContact CD2-CG 4.24Å; L177-L179 HydrophobicContact CG-CD1 4.32Å; L177-L179 HydrophobicContact CG-CD2 3.87Å; L177-L179 HydrophobicContact CG-CG 4.01Å; L177-W190 HydrophobicContact CB-CD2 4Å; L177-W190 HydrophobicContact CB-CG 4.14Å; L177-W190 HydrophobicContact CB-CZ2 4.17Å; L177-W190 HydrophobicContact CD2-CB 3.83Å; L177-W190 HydrophobicContact CD2-CD2 4.12Å; L177-W190 HydrophobicContact CD2-CG 3.76Å; L177-W190 HydrophobicContact CG-CG 4.39Å
178	E	96.4	Very high	93.9	Very high	48 Å²	48	23.7 Å²	23.7	22%	0.224	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.3	174.2	-61.9	-165.4	-135.3	0	0	111.1	S69 I70 I94 M166 A169	S69-E178 WeakPolarHBondContact CA-O 3.34Å; I70-E178 HydrophobicContact CB-CB 4.38Å; I70-E178 PolarHBondContact N-O 2.62Å; I70-E178 PolarHBondContact O-N 2.54Å; I94-E178 HydrophobicContact CD1-CG 3.81Å; I94-E178 VanDerWaalsContact CD1-OE1 3.29Å; I94-E178 WeakPolarHBondContact CD1-OE1 3.47Å; M166-E178 HydrophobicContact CB-CB 4.32Å; M166-E178 HydrophobicContact CE-CB 4.23Å; M166-E178 VanDerWaalsContact CE-O 3.24Å; M166-E178 WeakPolarHBondContact CE-O 3.38Å; A169-E178 HydrophobicContact CB-CG 3.98Å
179	L	93.8	Very high	93.8	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.1	-164.2	-63.4	170	0	0	0	113.3	M166 P167 I168 L170 L177 V187	M166-L179 CarbonylContact C-O 3.5Å; M166-L179 WeakPolarHBondContact CA-O 3.07Å; P167-L179 WeakPolarHBondContact CD-O 3.21Å; I168-L179 HydrophobicContact CB-CB 4.14Å; I168-L179 HydrophobicContact CG2-CB 4.25Å; I168-L179 HydrophobicContact CG2-CD1 4.13Å; I168-L179 PolarHBondContact N-O 2.81Å; I168-L179 PolarHBondContact O-N 2.83Å; L170-L179 HydrophobicContact CD1-CD1 3.84Å; L177-L179 HydrophobicContact CD1-CD2 4.27Å; L177-L179 HydrophobicContact CD2-CD1 4.07Å; L177-L179 HydrophobicContact CD2-CD2 4Å; L177-L179 HydrophobicContact CD2-CG 4.24Å; L177-L179 HydrophobicContact CG-CD1 4.32Å; L177-L179 HydrophobicContact CG-CD2 3.87Å; L177-L179 HydrophobicContact CG-CG 4.01Å; L179-V187 HydrophobicContact CD1-CG2 3.6Å; L179-V187 HydrophobicContact CD2-CG2 4.38Å
180	T	92	Very high	93.7	Very high	37 Å²	37	27.3 Å²	27.3	23%	0.227	15%	0.15	C	C	.	.	S	Bend	trans	-76.4	-36.7	167.4	53.4	0	0	0	0	112.8	L67 M166	L67-T180 HydrophobicContact CB-CG2 3.83Å; L67-T180 WeakPolarHBondContact O-CG2 3.29Å; M166-T180 HydrophobicContact SD-CG2 3.6Å; M166-T180 VanDerWaalsContact SD-CG2 3.6Å
181	T	90.9	Very high	93.6	Very high	27 Å²	27	27.3 Å²	27.3	17%	0.166	15%	0.15	C	C	.	.			trans	-146.7	151.8	-176.9	174.4	0	0	0	0	110.9	E139 A183	E139-T181 VanDerWaalsContact CD-OG1 3.25Å; E139-T181 VanDerWaalsContact OE1-CB 3.3Å; E139-T181 WeakPolarHBondContact OE1-CB 3.33Å; E139-T181 PolarHBondContact OE1-OG1 3.05Å; E139-T181 PolarHBondContact OE2-OG1 2.74Å; T181-A183 WeakPolarHBondContact OG1-CB 3.42Å; T181-A183 PolarHBondContact OG1-N 3.42Å; T181-A183 VanDerWaalsContact OG1-N 3.07Å
182	V	91.1	Very high	93.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.166	C	C	.	.	S	Bend	trans	-75.1	-16.2	172.1	-170.1	0	0	0	0	111.4	E139 L142 L143 L146 I168 S184	E139-V182 WeakPolarHBondContact OE2-CG2 3.39Å; E139-V182 PolarHBondContact OE2-N 2.58Å; L142-V182 HydrophobicContact CB-CB 4.42Å; L142-V182 HydrophobicContact CD2-CB 3.81Å; L142-V182 HydrophobicContact CD2-CG1 4.28Å; L142-V182 HydrophobicContact CG-CB 3.82Å; L142-V182 HydrophobicContact CG-CG1 3.85Å; L143-V182 HydrophobicContact CB-CG2 4.08Å; L143-V182 HydrophobicContact CD1-CG1 4.12Å; L143-V182 HydrophobicContact CD1-CG2 3.69Å; L143-V182 HydrophobicContact CG-CG2 4.48Å; L146-V182 HydrophobicContact CD1-CG1 3.72Å; I168-V182 HydrophobicContact CD1-CG2 3.69Å; I168-V182 HydrophobicContact CG1-CG2 4.23Å; I168-V182 HydrophobicContact CG2-CG2 4.16Å; V182-S184 PolarHBondContact O-N 2.93Å; V182-S184 VanDerWaalsContact O-N 3.09Å
183	A	87.1	Confident	93.2	Very high	35 Å²	35	31.9 Å²	31.9	29%	0.289	18%	0.177	S	C	.	.			trans	-82.5	31.3	-175.5	0	0	0	0	0	114.4	L142 T181 I241 L245	L142-A183 HydrophobicContact CD2-CB 3.99Å; T181-A183 WeakPolarHBondContact OG1-CB 3.42Å; T181-A183 PolarHBondContact OG1-N 3.42Å; T181-A183 VanDerWaalsContact OG1-N 3.07Å; A183-I241 HydrophobicContact CB-CG2 4.34Å; A183-L245 HydrophobicContact CB-CD1 4.4Å; A183-L245 HydrophobicContact CB-CD2 4.26Å
184	S	87	Confident	93	Very high	24 Å²	24	29.5 Å²	29.5	17%	0.168	17%	0.17	C	C	.	.			trans	-99.9	144.5	172.4	-179.5	0	0	0	0	111.8	V182 E186 V187	V182-S184 PolarHBondContact O-N 2.93Å; V182-S184 VanDerWaalsContact O-N 3.09Å; S184-E186 WeakPolarHBondContact CB-OE2 3.47Å; S184-E186 PolarHBondContact O-N 2.93Å; S184-E186 WeakPolarHBondContact OG-CB 3.49Å; S184-E186 VanDerWaalsContact OG-CD 3.29Å; S184-E186 WeakPolarHBondContact OG-CG 3.49Å; S184-E186 PolarHBondContact OG-N 3.41Å; S184-E186 PolarHBondContact OG-OE2 3.26Å; S184-V187 WeakPolarHBondContact O-CB 3.31Å; S184-V187 WeakPolarHBondContact O-CG2 3.21Å; S184-V187 PolarHBondContact O-N 3.42Å
185	S	87.1	Confident	92.4	Very high	78 Å²	78	30.9 Å²	30.9	55%	0.545	17%	0.174	S	C	.	.	H	α-helix	trans	-64.3	-29.4	172.2	48.5	0	0	0	0	112.7	V187 C188 D189	S185-V187 PolarHBondContact O-N 3.27Å; S185-V187 VanDerWaalsContact O-N 3.15Å; S185-C188 WeakPolarHBondContact O-CB 3.25Å; S185-C188 PolarHBondContact O-N 2.97Å; S185-D189 PolarHBondContact O-N 3.41Å
186	E	92.3	Very high	91.2	Very high	80 Å²	80	32 Å²	32	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-53.9	-34.5	176.5	-58.2	159.4	123.7	0	0	111.5	S69 S184 C188 D189 W190	S69-E186 WeakPolarHBondContact CB-OE1 3.41Å; S69-E186 WeakPolarHBondContact CB-OE2 3.24Å; S69-E186 PolarHBondContact OG-OE1 3.34Å; S184-E186 WeakPolarHBondContact CB-OE2 3.47Å; S184-E186 PolarHBondContact O-N 2.93Å; S184-E186 WeakPolarHBondContact OG-CB 3.49Å; S184-E186 VanDerWaalsContact OG-CD 3.29Å; S184-E186 WeakPolarHBondContact OG-CG 3.49Å; S184-E186 PolarHBondContact OG-N 3.41Å; S184-E186 PolarHBondContact OG-OE2 3.26Å; E186-C188 VanDerWaalsContact C-N 3.31Å; E186-C188 PolarHBondContact O-N 3.09Å; E186-D189 PolarHBondContact O-N 3.15Å; E186-W190 WeakPolarHBondContact O-CB 3.42Å; E186-W190 PolarHBondContact O-N 3.44Å
187	V	95.2	Very high	89.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-42.9	176.1	-176.4	0	0	0	0	111.1	L146 L170 L179 S184 S185 L191	L146-V187 HydrophobicContact CD1-CG1 4.11Å; L170-V187 HydrophobicContact CD2-CG1 3.83Å; L179-V187 HydrophobicContact CD1-CG2 3.6Å; L179-V187 HydrophobicContact CD2-CG2 4.38Å; S184-V187 WeakPolarHBondContact O-CB 3.31Å; S184-V187 WeakPolarHBondContact O-CG2 3.21Å; S184-V187 PolarHBondContact O-N 3.42Å; S185-V187 PolarHBondContact O-N 3.27Å; S185-V187 VanDerWaalsContact O-N 3.15Å; V187-L191 HydrophobicContact CG1-CD1 3.93Å; V187-L191 VanDerWaalsContact O-CB 3.28Å; V187-L191 WeakPolarHBondContact O-CB 3.41Å; V187-L191 WeakPolarHBondContact O-CD1 3.41Å; V187-L191 WeakPolarHBondContact O-CG 3.31Å; V187-L191 PolarHBondContact O-N 3.49Å
188	C	95.1	Very high	88.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-75.3	-37	-175.7	-56.5	0	0	0	0	112.1	S185 E186 Q192 R234 C237 E238	S185-C188 WeakPolarHBondContact O-CB 3.25Å; S185-C188 PolarHBondContact O-N 2.97Å; E186-C188 VanDerWaalsContact C-N 3.31Å; E186-C188 PolarHBondContact O-N 3.09Å; C188-Q192 WeakPolarHBondContact O-CB 3.23Å; C188-Q192 PolarHBondContact O-N 3Å; C188-Q192 VanDerWaalsContact O-N 3.12Å; C188-R234 HydrophobicContact CB-CG 4.15Å; C188-C237 WeakPolarHBondContact CA-SG 3.41Å; C188-C237 HydrophobicContact CB-CB 3.62Å; C188-C237 WeakPolarHBondContact CB-SG 3.47Å; C188-C237 WeakPolarHBondContact SG-CB 3.46Å; C188-C237 CovalentContact SG-SG 2.04Å; C188-C237 PolarHBondContact SG-SG 2.81Å; C188-E238 HydrophobicContact CB-CG 4.07Å; C188-E238 PolarHBondContact SG-N 2.99Å; C188-E238 VanDerWaalsContact SG-N 3.43Å
189	D	94.5	Very high	86.7	Confident	69 Å²	69	48 Å²	48	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-44.3	173.3	-81.7	-49.7	0	0	0	112.2	S185 E186 L191 Q192 A193 R234	S185-D189 PolarHBondContact O-N 3.41Å; E186-D189 PolarHBondContact O-N 3.15Å; D189-L191 PolarHBondContact O-N 3.3Å; D189-Q192 PolarHBondContact O-N 2.04Å; D189-A193 WeakPolarHBondContact O-CB 3.28Å; D189-A193 PolarHBondContact O-N 3.26Å; D189-R234 VanDerWaalsContact CG-NH1 3.33Å; D189-R234 WeakPolarHBondContact OD1-CD 3.45Å; D189-R234 IonicContact OD1-CZ 3.4Å; D189-R234 IonicContact OD1-NE 2.86Å; D189-R234 IonicContact OD1-NH1 2.7Å; D189-R234 PolarHBondContact OD1-NH1 2.94Å; D189-R234 IonicContact OD2-CZ 3.24Å; D189-R234 IonicContact OD2-NH1 2.66Å; D189-R234 PolarHBondContact OD2-NH1 3.45Å
190	W	95.9	Very high	84.8	Confident	8 Å²	8	57.8 Å²	57.8	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-41.1	177.4	-172.3	100.1	0	0	0	112.4	D71 T127 L170 R175 L177 E186 Q192 A193 T194	D71-W190 VanDerWaalsContact OD1-CD1 3.29Å; D71-W190 PolarHBondContact OD1-NE1 2.04Å; T127-W190 HydrophobicContact CG2-CZ3 4.21Å; L170-W190 HydrophobicContact CB-CE3 4.14Å; L170-W190 HydrophobicContact CB-CH2 3.92Å; L170-W190 HydrophobicContact CB-CZ3 3.66Å; L170-W190 HydrophobicContact CD2-CE3 4.03Å; L170-W190 HydrophobicContact CD2-CZ3 4.09Å; L170-W190 HydrophobicContact CG-CZ3 4.49Å; R175-W190 HydrophobicContact CB-CZ2 4.26Å; R175-W190 HydrophobicContact CG-CZ2 3.99Å; R175-W190 VanDerWaalsContact NE-NE1 3.16Å; L177-W190 HydrophobicContact CB-CD2 4Å; L177-W190 HydrophobicContact CB-CG 4.14Å; L177-W190 HydrophobicContact CB-CZ2 4.17Å; L177-W190 HydrophobicContact CD2-CB 3.83Å; L177-W190 HydrophobicContact CD2-CD2 4.12Å; L177-W190 HydrophobicContact CD2-CG 3.76Å; L177-W190 HydrophobicContact CG-CG 4.39Å; E186-W190 WeakPolarHBondContact O-CB 3.42Å; E186-W190 PolarHBondContact O-N 3.44Å; W190-Q192 VanDerWaalsContact C-N 3.32Å; W190-Q192 PolarHBondContact O-N 3.08Å; W190-A193 PolarHBondContact O-N 3.18Å; W190-T194 HydrophobicContact CD2-CG2 3.95Å; W190-T194 HydrophobicContact CE3-CG2 3.99Å; W190-T194 HydrophobicContact CH2-CG2 3.9Å; W190-T194 HydrophobicContact CZ2-CG2 3.87Å; W190-T194 HydrophobicContact CZ3-CG2 3.96Å; W190-T194 WeakPolarHBondContact O-CB 3.45Å; W190-T194 WeakPolarHBondContact O-CG2 3.14Å; W190-T194 PolarHBondContact O-N 3.34Å; W190-T194 PolarHBondContact O-OG1 3.07Å
191	L	94.9	Very high	83	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-36.5	174	-76.5	172.4	0	0	0	112.4	T127 L146 L151 L170 V187 D189 T194 Q195 V233	T127-L191 HydrophobicContact CG2-CD2 3.86Å; L146-L191 HydrophobicContact CD2-CD1 3.64Å; L151-L191 HydrophobicContact CD1-CD2 4.19Å; L151-L191 HydrophobicContact CD2-CD1 4.22Å; L151-L191 HydrophobicContact CD2-CD2 3.78Å; L151-L191 HydrophobicContact CD2-CG 4.47Å; L170-L191 HydrophobicContact CD2-CD1 4.17Å; L170-L191 HydrophobicContact CD2-CD2 3.77Å; L170-L191 HydrophobicContact CD2-CG 3.86Å; V187-L191 HydrophobicContact CG1-CD1 3.93Å; V187-L191 VanDerWaalsContact O-CB 3.28Å; V187-L191 WeakPolarHBondContact O-CB 3.41Å; V187-L191 WeakPolarHBondContact O-CD1 3.41Å; V187-L191 WeakPolarHBondContact O-CG 3.31Å; V187-L191 PolarHBondContact O-N 3.49Å; D189-L191 PolarHBondContact O-N 3.3Å; L191-T194 PolarHBondContact O-OG1 2.98Å; L191-Q195 WeakPolarHBondContact O-CG 3.28Å; L191-Q195 PolarHBondContact O-N 3.38Å; L191-V233 HydrophobicContact CB-CG1 4.04Å
192	Q	93.4	Very high	80.8	Confident	71 Å²	71	66.5 Å²	66.5	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-70.7	-42.2	176.4	-175.9	63.6	40.1	0	0	111.7	C188 D189 W190 A196 R234	C188-Q192 WeakPolarHBondContact O-CB 3.23Å; C188-Q192 PolarHBondContact O-N 3Å; C188-Q192 VanDerWaalsContact O-N 3.12Å; D189-Q192 PolarHBondContact O-N 2.04Å; W190-Q192 VanDerWaalsContact C-N 3.32Å; W190-Q192 PolarHBondContact O-N 3.08Å; Q192-A196 PolarHBondContact O-N 3.22Å; Q192-R234 HydrophobicContact CB-CB 3.89Å; Q192-R234 HydrophobicContact CG-CB 4.05Å
193	A	92.3	Very high	78.3	Confident	41 Å²	41	76.4 Å²	76.4	34%	0.339	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.4	0	0	0	0	0	112.3	D189 W190 Q195 A196 T197	D189-A193 WeakPolarHBondContact O-CB 3.28Å; D189-A193 PolarHBondContact O-N 3.26Å; W190-A193 PolarHBondContact O-N 3.18Å; A193-Q195 PolarHBondContact O-N 2.92Å; A193-A196 WeakPolarHBondContact O-CB 3.19Å; A193-A196 PolarHBondContact O-N 3.04Å; A193-T197 PolarHBondContact O-OG1 3.16Å
194	T	89.9	Confident	76.3	Confident	16 Å²	16	81.8 Å²	81.8	10%	0.098	41%	0.406	C	S	.	.	H	α-helix	trans	-72.3	-26	-178.2	51.8	0	0	0	0	113.8	S172 W190 L191	S172-T194 VanDerWaalsContact OG-CG2 3.26Å; S172-T194 WeakPolarHBondContact OG-CG2 3.46Å; W190-T194 HydrophobicContact CD2-CG2 3.95Å; W190-T194 HydrophobicContact CE3-CG2 3.99Å; W190-T194 HydrophobicContact CH2-CG2 3.9Å; W190-T194 HydrophobicContact CZ2-CG2 3.87Å; W190-T194 HydrophobicContact CZ3-CG2 3.96Å; W190-T194 WeakPolarHBondContact O-CB 3.45Å; W190-T194 WeakPolarHBondContact O-CG2 3.14Å; W190-T194 PolarHBondContact O-N 3.34Å; W190-T194 PolarHBondContact O-OG1 3.07Å; L191-T194 PolarHBondContact O-OG1 2.98Å
195	Q	82.4	Confident	74.1	Confident	34 Å²	34	86.7 Å²	86.7	16%	0.159	44%	0.436	C	S	.	.	H	α-helix	trans	-70.8	-28.5	171.3	-71	-74.5	-25.7	0	0	112.7	L191 A193 T197 R198 V233	L191-Q195 WeakPolarHBondContact O-CG 3.28Å; L191-Q195 PolarHBondContact O-N 3.38Å; A193-Q195 PolarHBondContact O-N 2.92Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 3.43Å; Q195-R198 WeakPolarHBondContact O-CB 3.18Å; Q195-R198 PolarHBondContact O-N 2.75Å; Q195-V233 HydrophobicContact CG-CG1 4.47Å; Q195-V233 HydrophobicContact CG-CG2 4.18Å
196	A	69.4	Low	72.3	Confident	87 Å²	87	91.7 Å²	91.7	72%	0.719	45%	0.45	S	S	*	.	H	α-helix	trans	-66.6	-32.1	177.2	0	0	0	0	0	112.7	Q192 A193 R198	Q192-A196 PolarHBondContact O-N 3.22Å; A193-A196 WeakPolarHBondContact O-CB 3.19Å; A193-A196 PolarHBondContact O-N 3.04Å; A196-R198 PolarHBondContact O-N 2.85Å
197	T	66.9	Low	70.7	Confident	115 Å²	115	90.4 Å²	90.4	71%	0.706	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.2	177.6	-31.5	0	0	0	0	113.4	A193 Q195 R199	A193-T197 PolarHBondContact O-OG1 3.16Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 3.43Å; T197-R199 PolarHBondContact O-N 3.23Å; T197-R199 VanDerWaalsContact O-N 3.12Å
198	R	68.3	Low	69.8	Low	92 Å²	92	94.4 Å²	94.4	35%	0.347	46%	0.463	S	S	.	.			trans	-70.3	109	-172.6	-175.7	166.7	-172.6	-156.2	2.7	112.4	G125 P152 Q195 A196 K200	G125-R198 WeakPolarHBondContact O-CD 3.36Å; G125-R198 PolarHBondContact O-NE 3.48Å; P152-R198 VanDerWaalsContact CG-NH1 3.35Å; Q195-R198 WeakPolarHBondContact O-CB 3.18Å; Q195-R198 PolarHBondContact O-N 2.75Å; A196-R198 PolarHBondContact O-N 2.85Å; R198-K200 PolarHBondContact O-N 2.7Å
199	R	61.7	Low	69.4	Low	189 Å²	189	99 Å²	99	71%	0.713	48%	0.483	S	S	*	.			trans	-53.1	137.1	167.1	-69.1	179	174.4	168.1	-3.4	110.2	T197 V201	T197-R199 PolarHBondContact O-N 3.23Å; T197-R199 VanDerWaalsContact O-N 3.12Å; R199-V201 PolarHBondContact O-N 3.23Å
200	K	53.5	Low	69.3	Low	207 Å²	207	95.8 Å²	95.8	90%	0.9	47%	0.466	S	S	*	.			trans	-61.9	108.7	175.4	-75.7	179.8	179.3	172.4	0	109.2	R198 E202	R198-K200 PolarHBondContact O-N 2.7Å; K200-E202 PolarHBondContact O-N 2.73Å
201	V	54.1	Low	69.2	Low	73 Å²	73	97 Å²	97	44%	0.442	47%	0.473	S	S	.	.			trans	-70.4	120.5	175.3	-179.4	0	0	0	0	108.6	H124 R199	H124-V201 HydrophobicContact CB-CG2 4.35Å; H124-V201 VanDerWaalsContact O-CG2 3.26Å; H124-V201 WeakPolarHBondContact O-CG2 3.36Å; R199-V201 PolarHBondContact O-N 3.23Å
202	E	45.2	Very low	69.1	Low	174 Å²	174	100.4 Å²	100.4	81%	0.813	49%	0.488	S	S	*	.			trans	-59.8	146.3	171.2	-65.6	-169.5	127.8	0	0	110.7	K200 R204	K200-E202 PolarHBondContact O-N 2.73Å; E202-R204 PolarHBondContact O-N 3.44Å
203	K	38.3	Very low	69	Low	210 Å²	210	98 Å²	98	91%	0.913	48%	0.477	S	S	*	.			trans	-73.7	65.2	-178	-69.8	-177.4	177.3	177.2	0	111.8	T205	K203-T205 PolarHBondContact O-N 3.24Å
204	R	44.7	Very low	69.1	Low	147 Å²	147	97 Å²	97	56%	0.555	47%	0.466	S	S	*	.			trans	-64.6	124.6	177.9	-159.8	166.5	-169.8	168	3.1	110	E202 Q206	E202-R204 PolarHBondContact O-N 3.44Å; R204-Q206 PolarHBondContact O-N 2.96Å
205	T	40.3	Very low	69.2	Low	127 Å²	127	99.7 Å²	99.7	78%	0.779	48%	0.482	S	S	*	.			trans	-64.3	113.4	-177.4	29.2	0	0	0	0	111.2	K203 T207	K203-T205 PolarHBondContact O-N 3.24Å; T205-T207 VanDerWaalsContact C-N 3.26Å; T205-T207 PolarHBondContact O-N 2.91Å
206	Q	50.4	Low	69.7	Low	183 Å²	183	103.1 Å²	103.1	86%	0.855	49%	0.494	S	S	*	.	S	Bend	trans	31.4	50.4	162.9	-145.5	159.5	5.5	0	0	116.5	R204	R204-Q206 PolarHBondContact O-N 2.96Å
207	T	58.9	Low	70.9	Confident	54 Å²	54	101.3 Å²	101.3	33%	0.331	48%	0.476	S	S	.	.			trans	-52.5	149.3	-178.9	-31.1	0	0	0	0	112.3	T205 K209	T205-T207 VanDerWaalsContact C-N 3.26Å; T205-T207 PolarHBondContact O-N 2.91Å; T207-K209 WeakPolarHBondContact O-CG 3.39Å
208	R	74.9	Confident	71.8	Confident	84 Å²	84	96.7 Å²	96.7	32%	0.317	45%	0.449	S	S	.	.			trans	-45.5	141.1	160.2	-71.4	174.5	166.1	133.3	5.3	109.9	V103 H513 D515	V103-R208 HydrophobicContact CG1-CB 4.36Å; V103-R208 HydrophobicContact CG2-CB 4.22Å; R208-H513 PolarHBondContact NH2-O 3.38Å; R208-H513 VanDerWaalsContact NH2-O 3.07Å; R208-D515 IonicContact CZ-OD2 3.01Å; R208-D515 IonicContact NE-OD2 3.11Å; R208-D515 PolarHBondContact NE-OD2 3.31Å; R208-D515 IonicContact NH2-OD2 3.73Å; R208-D515 PolarHBondContact NH2-OD2 2.91Å
209	K	86.6	Confident	71.7	Confident	99 Å²	99	94.5 Å²	94.5	43%	0.43	46%	0.455	S	S	.	.			trans	-135	137.9	178.8	-55	-172.9	-175.6	178.8	0	110.7	E106 T207 N211	E106-K209 HydrophobicContact CB-CB 4.07Å; E106-K209 HydrophobicContact CB-CD 4.17Å; E106-K209 HydrophobicContact CG-CD 4.04Å; T207-K209 WeakPolarHBondContact O-CG 3.39Å; K209-N211 PolarHBondContact O-N 2.71Å
210	Y	92.9	Very high	71.3	Confident	1 Å²	1	92.9 Å²	92.9	0%	0.004	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-69.6	119.3	167.9	167.2	-86.5	0	0	0	108.5	L42 M104 A105 E106 Y110 R117 F212	L42-Y210 HydrophobicContact CD1-CD2 4.47Å; L42-Y210 HydrophobicContact CD1-CE2 4.07Å; L42-Y210 HydrophobicContact CD2-CD2 3.97Å; L42-Y210 HydrophobicContact CD2-CE2 3.94Å; M104-Y210 PolarHBondContact O-N 2.99Å; A105-Y210 CarbonylContact C-O 3.35Å; A105-Y210 WeakPolarHBondContact CA-O 3.45Å; A105-Y210 HydrophobicContact CB-CD1 3.99Å; E106-Y210 PolarHBondContact N-O 2.94Å; Y110-Y210 HydrophobicContact CD1-CE1 4.31Å; Y110-Y210 HydrophobicContact CE1-CD1 4.09Å; Y110-Y210 AromaticContact CE1-CE1 3.73Å; Y110-Y210 HydrophobicContact CE1-CE1 3.73Å; Y110-Y210 PolarHBondContact OH-O 3.01Å; Y110-Y210 VanDerWaalsContact OH-O 3.09Å; R117-Y210 HydrophobicContact CB-CD1 4.2Å; R117-Y210 HydrophobicContact CB-CG 4.46Å; R117-Y210 HydrophobicContact CG-CD1 4.05Å; R117-Y210 HydrophobicContact CG-CD2 4.04Å; R117-Y210 HydrophobicContact CG-CE1 4.31Å; R117-Y210 HydrophobicContact CG-CE2 4.27Å; R117-Y210 HydrophobicContact CG-CG 3.92Å; Y210-F212 HydrophobicContact CD2-CB 4.33Å; Y210-F212 WeakPolarHBondContact CE1-O 3.37Å; Y210-F212 HydrophobicContact CE2-CB 3.68Å; Y210-F212 PolarHBondContact OH-O 3.09Å
211	N	93.6	Very high	71	Confident	33 Å²	33	86.5 Å²	86.5	18%	0.176	43%	0.433	C	S	.	.			trans	-134.7	22.5	176.3	69.4	14.1	0	0	0	112.8	E106 K209 L214 R525	E106-N211 HydrophobicContact CB-CB 4.09Å; E106-N211 VanDerWaalsContact OE2-CB 3.31Å; E106-N211 WeakPolarHBondContact OE2-CB 3.36Å; E106-N211 PolarHBondContact OE2-ND2 3.34Å; K209-N211 PolarHBondContact O-N 2.71Å; N211-L214 HydrophobicContact CB-CB 4.17Å; N211-L214 HydrophobicContact CB-CD2 3.97Å; N211-L214 WeakPolarHBondContact O-CB 3.36Å; N211-L214 PolarHBondContact O-N 2.85Å; N211-R525 PolarHBondContact O-NH2 3.16Å; N211-R525 PolarHBondContact OD1-NH2 3.02Å
212	F	92.5	Very high	70.1	Confident	71 Å²	71	92 Å²	92	31%	0.311	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	140.9	168.7	-168.5	-100.3	0	0	0	109.7	L42 L46 Y110 Y210 L214	L42-F212 HydrophobicContact CD1-CB 3.68Å; L42-F212 HydrophobicContact CD1-CD1 4.15Å; L42-F212 HydrophobicContact CD1-CD2 4.13Å; L42-F212 HydrophobicContact CD1-CG 3.74Å; L46-F212 HydrophobicContact CD1-CD1 3.62Å; L46-F212 HydrophobicContact CD1-CE1 3.51Å; Y110-F212 WeakPolarHBondContact CD1-O 3.26Å; Y110-F212 WeakPolarHBondContact CE1-O 3.09Å; Y210-F212 HydrophobicContact CD2-CB 4.33Å; Y210-F212 WeakPolarHBondContact CE1-O 3.37Å; Y210-F212 HydrophobicContact CE2-CB 3.68Å; Y210-F212 PolarHBondContact OH-O 3.09Å; F212-L214 PolarHBondContact O-N 2.85Å
213	L	92.7	Very high	69.9	Low	20 Å²	20	89.3 Å²	89.3	11%	0.105	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	6.9	-169.4	-60.4	-173.3	0	0	0	116.8	L46 A50 V51 L111 Y112 T215	L46-L213 HydrophobicContact CD2-CD1 4.39Å; A50-L213 HydrophobicContact CB-CD1 4.35Å; V51-L213 HydrophobicContact CG2-CD2 4.39Å; L111-L213 HydrophobicContact CB-CB 4.27Å; L111-L213 HydrophobicContact CD2-CD2 4.41Å; L111-L213 PolarHBondContact N-O 2.65Å; Y112-L213 WeakPolarHBondContact O-CB 3.15Å; L213-T215 PolarHBondContact O-N 3.05Å
214	L	94.1	Very high	69.4	Low	21 Å²	21	82.5 Å²	82.5	11%	0.11	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	123.8	169	-178	70.9	0	0	0	109.6	E106 Y110 N211 F212	E106-L214 HydrophobicContact CB-CD2 4.28Å; E106-L214 HydrophobicContact CG-CD2 4.27Å; Y110-L214 HydrophobicContact CD1-CB 4.18Å; Y110-L214 HydrophobicContact CD1-CD1 4.48Å; Y110-L214 HydrophobicContact CD2-CD1 3.93Å; Y110-L214 HydrophobicContact CE1-CB 3.77Å; Y110-L214 HydrophobicContact CE1-CD1 4.08Å; Y110-L214 HydrophobicContact CE2-CD1 3.47Å; Y110-L214 VanDerWaalsContact CE2-CD1 3.47Å; Y110-L214 HydrophobicContact CG-CD1 4.38Å; N211-L214 HydrophobicContact CB-CB 4.17Å; N211-L214 HydrophobicContact CB-CD2 3.97Å; N211-L214 WeakPolarHBondContact O-CB 3.36Å; N211-L214 PolarHBondContact O-N 2.85Å; F212-L214 PolarHBondContact O-N 2.85Å
215	T	93	Very high	69.1	Low	72 Å²	72	78.8 Å²	78.8	44%	0.442	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-27.9	177.8	61.4	0	0	0	0	112.7	E109 L111 L213	E109-T215 WeakPolarHBondContact O-CA 3.4Å; E109-T215 PolarHBondContact O-N 2.84Å; E109-T215 PolarHBondContact O-OG1 2.91Å; L111-T215 HydrophobicContact CB-CG2 3.9Å; L213-T215 PolarHBondContact O-N 3.05Å
216	R	92.8	Very high	68.8	Low	107 Å²	107	76.8 Å²	76.8	40%	0.404	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	111.1	179.7	-172.2	-166.3	-151.1	166.7	6.6	109.7	G108 E109	G108-R216 CarbonylContact C-O 3.51Å; G108-R216 VanDerWaalsContact CA-O 3.27Å; G108-R216 WeakPolarHBondContact CA-O 3.37Å; E109-R216 HydrophobicContact CB-CB 4.1Å; E109-R216 VanDerWaalsContact CD-CD 3.4Å; E109-R216 HydrophobicContact CG-CB 4.37Å; E109-R216 PolarHBondContact N-O 2.87Å; E109-R216 PolarHBondContact O-N 2.81Å; E109-R216 WeakPolarHBondContact OE1-CD 3.46Å; E109-R216 IonicContact OE1-CZ 2.9Å; E109-R216 IonicContact OE1-NE 3.76Å; E109-R216 IonicContact OE1-NH1 2.67Å; E109-R216 PolarHBondContact OE1-NH1 2.79Å; E109-R216 IonicContact OE2-NH1 3.53Å
217	S	93	Very high	68.4	Low	49 Å²	49	72.4 Å²	72.4	34%	0.343	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	143.6	166	-173.7	0	0	0	0	110.3	E106 G219	E106-S217 WeakPolarHBondContact OE1-CB 3.21Å; E106-S217 PolarHBondContact OE1-OG 2.02Å; S217-G219 PolarHBondContact O-N 3.44Å; S217-G219 PolarHBondContact OG-N 3.06Å; S217-G219 VanDerWaalsContact OG-N 3.09Å
218	A	86.6	Confident	67.5	Low	17 Å²	17	77.4 Å²	77.4	14%	0.14	43%	0.434	C	S	.	.			trans	-61.1	-21.4	165.8	0	0	0	0	0	111.8	S107	S107-A218 WeakPolarHBondContact O-CB 3.24Å; S107-A218 PolarHBondContact O-N 2.85Å
219	G	65.4	Low	66.2	Low	46 Å²	46	80.1 Å²	80.1	47%	0.474	46%	0.455	S	S	.	.			trans	80.2	160.8	-171.6	0	0	0	0	0	111.9	S217 Q221	S217-G219 PolarHBondContact O-N 3.44Å; S217-G219 PolarHBondContact OG-N 3.06Å; S217-G219 VanDerWaalsContact OG-N 3.09Å; G219-Q221 PolarHBondContact O-N 2.87Å
220	L	54.9	Low	65.2	Low	156 Å²	156	83.3 Å²	83.3	82%	0.817	47%	0.469	S	S	*	.			trans	-69.4	90.4	155.2	-95.1	165.1	0	0	0	107	H222	L220-H222 PolarHBondContact O-N 3.04Å; L220-H222 VanDerWaalsContact O-N 3.16Å
221	Q	45.4	Very low	64.6	Low	73 Å²	73	87 Å²	87	34%	0.341	49%	0.492	S	S	.	.			trans	-64.3	115.3	167.5	-60.9	-167.2	5.2	0	0	107.2	R148 G219 L223	R148-Q221 PolarHBondContact O-NE2 3.15Å; G219-Q221 PolarHBondContact O-N 2.87Å; Q221-L223 HydrophobicContact CB-CB 4.29Å; Q221-L223 PolarHBondContact O-N 3.39Å
222	H	35.8	Very low	64.4	Low	187 Å²	187	87.6 Å²	87.6	87%	0.866	50%	0.498	S	S	*	.			trans	-71.9	54.2	163.4	-87.4	-97.9	0	0	0	110	L220 G224	L220-H222 PolarHBondContact O-N 3.04Å; L220-H222 VanDerWaalsContact O-N 3.16Å; H222-G224 VanDerWaalsContact C-N 3.33Å
223	L	40.6	Very low	64.3	Low	119 Å²	119	85.5 Å²	85.5	62%	0.623	49%	0.491	S	S	*	.			trans	-103	54.5	165.3	-90.1	161.5	0	0	0	108.4	Q221 P225	Q221-L223 HydrophobicContact CB-CB 4.29Å; Q221-L223 PolarHBondContact O-N 3.39Å; L223-P225 WeakPolarHBondContact O-CD 3.48Å
224	G	29.1	Very low	64.3	Low	66 Å²	66	89 Å²	89	68%	0.68	50%	0.503	S	S	*	.			trans	-71.5	112.9	137.3	0	0	0	0	0	105.7	H222 S226	H222-G224 VanDerWaalsContact C-N 3.33Å; G224-S226 PolarHBondContact O-N 3.26Å
225	P	36.7	Very low	64.3	Low	69 Å²	69	91.9 Å²	91.9	45%	0.448	52%	0.516	S	S	.	.			trans	-61.3	138.7	176.4	-19.6	32.9	0	0	0	109	L223 A227 K230	L223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-A227 PolarHBondContact O-N 2.65Å; P225-K230 HydrophobicContact CB-CG 4.11Å; P225-K230 HydrophobicContact CG-CG 4.15Å
226	S	35.1	Very low	64.4	Low	86 Å²	86	89.6 Å²	89.6	60%	0.601	50%	0.502	S	S	*	.			trans	-53.7	142.1	151.7	-170.8	0	0	0	0	107.1	G224 E228	G224-S226 PolarHBondContact O-N 3.26Å; S226-E228 PolarHBondContact O-N 2.93Å; S226-E228 PolarHBondContact OG-OE2 3.09Å
227	A	42.8	Very low	64.5	Low	90 Å²	90	84.5 Å²	84.5	74%	0.744	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-6	-160.2	0	0	0	0	0	114.9	P225	P225-A227 PolarHBondContact O-N 2.65Å
228	E	39.8	Very low	64.6	Low	159 Å²	159	85.1 Å²	85.1	74%	0.743	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-20.5	-159.7	-63	160.7	134.4	0	0	114.7	S226	S226-E228 PolarHBondContact O-N 2.93Å; S226-E228 PolarHBondContact OG-OE2 3.09Å
229	N	46.8	Very low	64.9	Low	141 Å²	141	89.5 Å²	89.5	75%	0.754	50%	0.498	S	S	*	.			trans	-149.1	94.1	177.7	-90.6	-65.8	0	0	0	112.8	V231	N229-V231 PolarHBondContact O-N 3Å
230	K	66.1	Low	66.2	Low	166 Å²	166	88.2 Å²	88.2	72%	0.722	48%	0.481	S	S	*	.			trans	-94.5	87.9	171.7	-70.2	178.9	-175.8	165.9	0	110.7	P225 S232	P225-K230 HydrophobicContact CB-CG 4.11Å; P225-K230 HydrophobicContact CG-CG 4.15Å; K230-S232 PolarHBondContact O-N 3.48Å
231	V	78.9	Confident	68	Low	80 Å²	80	81.4 Å²	81.4	49%	0.485	45%	0.445	S	S	.	.			trans	-51.5	134	168.3	177.6	0	0	0	0	109.6	N229 Q235 C236	N229-V231 PolarHBondContact O-N 3Å; V231-Q235 HydrophobicContact CG1-CB 3.96Å; V231-Q235 HydrophobicContact CG1-CG 3.99Å; V231-C236 HydrophobicContact CG1-CB 4.17Å
232	S	89.9	Confident	70.2	Confident	45 Å²	45	81.4 Å²	81.4	32%	0.315	45%	0.454	S	S	.	.			trans	-71.8	157.5	-179.7	74.1	0	0	0	0	111.7	K230 R234 Q235 C236	K230-S232 PolarHBondContact O-N 3.48Å; S232-R234 VanDerWaalsContact C-N 3.27Å; S232-R234 PolarHBondContact O-N 2.89Å; S232-Q235 PolarHBondContact O-N 3.22Å; S232-Q235 WeakPolarHBondContact OG-CB 3.35Å; S232-Q235 PolarHBondContact OG-N 3.1Å; S232-C236 WeakPolarHBondContact O-CB 3.34Å; S232-C236 PolarHBondContact O-N 3.12Å
233	V	91.1	Very high	72.7	Confident	26 Å²	26	76.4 Å²	76.4	16%	0.158	44%	0.44	C	S	.	.	H	α-helix	trans	-65.9	-36.3	179.2	176.7	0	0	0	0	110.2	L151 L191 Q195 C237	L151-V233 HydrophobicContact CD2-CG1 3.93Å; L191-V233 HydrophobicContact CB-CG1 4.04Å; Q195-V233 HydrophobicContact CG-CG1 4.47Å; Q195-V233 HydrophobicContact CG-CG2 4.18Å; V233-C237 WeakPolarHBondContact O-CB 3.49Å; V233-C237 PolarHBondContact O-N 2.66Å
234	R	93.4	Very high	74.9	Confident	93 Å²	93	72.2 Å²	72.2	35%	0.351	42%	0.418	S	S	.	.	H	α-helix	trans	-55.6	-55.8	168.2	178.2	171	169.7	158.9	2.4	111.9	C188 D189 Q192 S232 C236 C237 E238	C188-R234 HydrophobicContact CB-CG 4.15Å; D189-R234 VanDerWaalsContact CG-NH1 3.33Å; D189-R234 WeakPolarHBondContact OD1-CD 3.45Å; D189-R234 IonicContact OD1-CZ 3.4Å; D189-R234 IonicContact OD1-NE 2.86Å; D189-R234 IonicContact OD1-NH1 2.7Å; D189-R234 PolarHBondContact OD1-NH1 2.94Å; D189-R234 IonicContact OD2-CZ 3.24Å; D189-R234 IonicContact OD2-NH1 2.66Å; D189-R234 PolarHBondContact OD2-NH1 3.45Å; Q192-R234 HydrophobicContact CB-CB 3.89Å; Q192-R234 HydrophobicContact CG-CB 4.05Å; S232-R234 VanDerWaalsContact C-N 3.27Å; S232-R234 PolarHBondContact O-N 2.89Å; R234-C236 VanDerWaalsContact C-N 3.35Å; R234-C236 PolarHBondContact O-N 3.21Å; R234-C237 WeakPolarHBondContact O-CA 3.33Å; R234-C237 WeakPolarHBondContact O-CB 3.26Å; R234-C237 PolarHBondContact O-N 2.88Å; R234-E238 HydrophobicContact CG-CG 4.27Å; R234-E238 IonicContact CZ-OE1 2.64Å; R234-E238 VanDerWaalsContact CZ-OE1 3.25Å; R234-E238 IonicContact NE-OE1 3.28Å; R234-E238 PolarHBondContact NE-OE1 3.47Å; R234-E238 IonicContact NE-OE2 3.53Å; R234-E238 IonicContact NH2-OE1 3.14Å; R234-E238 PolarHBondContact NH2-OE1 2.87Å; R234-E238 WeakPolarHBondContact O-CG 3.36Å; R234-E238 PolarHBondContact O-N 3.47Å
235	Q	94	Very high	77.5	Confident	83 Å²	83	72.7 Å²	72.7	39%	0.388	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-40.5	-176.2	-174.5	-178.8	21.1	0	0	112.1	V231 S232 C237 Q239	V231-Q235 HydrophobicContact CG1-CB 3.96Å; V231-Q235 HydrophobicContact CG1-CG 3.99Å; S232-Q235 PolarHBondContact O-N 3.22Å; S232-Q235 WeakPolarHBondContact OG-CB 3.35Å; S232-Q235 PolarHBondContact OG-N 3.1Å; Q235-C237 VanDerWaalsContact C-N 3.34Å; Q235-Q239 WeakPolarHBondContact O-CB 3.36Å; Q235-Q239 WeakPolarHBondContact O-CG 3.31Å; Q235-Q239 PolarHBondContact O-N 3.49Å
236	C	94.1	Very high	79.6	Confident	23 Å²	23	72.6 Å²	72.6	16%	0.155	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-42.1	173.4	179.4	0	0	0	0	111.9	C150 V231 S232 R234 T240	C150-C236 WeakPolarHBondContact CA-SG 3.32Å; C150-C236 HydrophobicContact CB-CB 3.77Å; C150-C236 WeakPolarHBondContact CB-SG 3.49Å; C150-C236 WeakPolarHBondContact SG-CB 3.42Å; C150-C236 PolarHBondContact SG-O 3.15Å; C150-C236 CovalentContact SG-SG 2.04Å; C150-C236 PolarHBondContact SG-SG 3.42Å; V231-C236 HydrophobicContact CG1-CB 4.17Å; S232-C236 WeakPolarHBondContact O-CB 3.34Å; S232-C236 PolarHBondContact O-N 3.12Å; R234-C236 VanDerWaalsContact C-N 3.35Å; R234-C236 PolarHBondContact O-N 3.21Å; C236-T240 VanDerWaalsContact O-CB 3.24Å; C236-T240 WeakPolarHBondContact O-CB 3.39Å; C236-T240 PolarHBondContact O-N 3.38Å; C236-T240 PolarHBondContact O-OG1 3.14Å
237	C	94.8	Very high	81.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-64	-50.8	178.2	173.4	0	0	0	0	111.3	C150 C188 V233 R234 Q235 Q239 T240 I241	C150-C237 PolarHBondContact SG-N 2.91Å; C188-C237 WeakPolarHBondContact CA-SG 3.41Å; C188-C237 HydrophobicContact CB-CB 3.62Å; C188-C237 WeakPolarHBondContact CB-SG 3.47Å; C188-C237 WeakPolarHBondContact SG-CB 3.46Å; C188-C237 CovalentContact SG-SG 2.04Å; C188-C237 PolarHBondContact SG-SG 2.81Å; V233-C237 WeakPolarHBondContact O-CB 3.49Å; V233-C237 PolarHBondContact O-N 2.66Å; R234-C237 WeakPolarHBondContact O-CA 3.33Å; R234-C237 WeakPolarHBondContact O-CB 3.26Å; R234-C237 PolarHBondContact O-N 2.88Å; Q235-C237 VanDerWaalsContact C-N 3.34Å; C237-Q239 PolarHBondContact O-N 3.26Å; C237-T240 PolarHBondContact O-N 3.08Å; C237-T240 VanDerWaalsContact O-N 3.15Å; C237-I241 WeakPolarHBondContact O-CG1 3.38Å; C237-I241 PolarHBondContact O-N 3.15Å
238	E	94.6	Very high	82.1	Confident	63 Å²	63	73.3 Å²	73.3	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-58.1	-46	177.7	-70.1	169.3	151.2	0	0	111.6	C188 R234 S242	C188-E238 HydrophobicContact CB-CG 4.07Å; C188-E238 PolarHBondContact SG-N 2.99Å; C188-E238 VanDerWaalsContact SG-N 3.43Å; R234-E238 HydrophobicContact CG-CG 4.27Å; R234-E238 IonicContact CZ-OE1 2.64Å; R234-E238 VanDerWaalsContact CZ-OE1 3.25Å; R234-E238 IonicContact NE-OE1 3.28Å; R234-E238 PolarHBondContact NE-OE1 3.47Å; R234-E238 IonicContact NE-OE2 3.53Å; R234-E238 IonicContact NH2-OE1 3.14Å; R234-E238 PolarHBondContact NH2-OE1 2.87Å; R234-E238 WeakPolarHBondContact O-CG 3.36Å; R234-E238 PolarHBondContact O-N 3.47Å; E238-S242 VanDerWaalsContact O-CB 3.25Å; E238-S242 WeakPolarHBondContact O-CB 3.26Å; E238-S242 PolarHBondContact O-N 3.16Å; E238-S242 PolarHBondContact O-OG 3.06Å
239	Q	93.4	Very high	82.7	Confident	109 Å²	109	71.2 Å²	71.2	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-63.4	-41.6	175.5	-73.5	174.7	-2.5	0	0	112.3	Q235 C237 S243	Q235-Q239 WeakPolarHBondContact O-CB 3.36Å; Q235-Q239 WeakPolarHBondContact O-CG 3.31Å; Q235-Q239 PolarHBondContact O-N 3.49Å; C237-Q239 PolarHBondContact O-N 3.26Å; Q239-S243 VanDerWaalsContact O-CB 3.24Å; Q239-S243 WeakPolarHBondContact O-CB 3.36Å; Q239-S243 PolarHBondContact O-N 3.23Å
240	T	92.9	Very high	82.3	Confident	18 Å²	18	66.7 Å²	66.7	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-44.3	-179.2	-62.2	0	0	0	0	111.8	V145 L146 C236 C237 L244	V145-T240 HydrophobicContact CG1-CG2 3.87Å; L146-T240 HydrophobicContact CB-CG2 4.4Å; C236-T240 VanDerWaalsContact O-CB 3.24Å; C236-T240 WeakPolarHBondContact O-CB 3.39Å; C236-T240 PolarHBondContact O-N 3.38Å; C236-T240 PolarHBondContact O-OG1 3.14Å; C237-T240 PolarHBondContact O-N 3.08Å; C237-T240 VanDerWaalsContact O-N 3.15Å; T240-L244 HydrophobicContact CG2-CD1 3.85Å; T240-L244 WeakPolarHBondContact O-CB 3.48Å; T240-L244 WeakPolarHBondContact O-CD1 3.19Å; T240-L244 WeakPolarHBondContact O-CG 3.42Å; T240-L244 PolarHBondContact O-N 3.05Å; T240-L244 VanDerWaalsContact O-N 3.1Å
241	I	91.9	Very high	81	Confident	13 Å²	13	63.6 Å²	63.6	7%	0.067	39%	0.393	C	S	.	.	H	α-helix	trans	-62.3	-49.8	174.8	-66.5	172.6	0	0	0	109.6	L142 L146 A183 C237 S243 L244 L245	L142-I241 HydrophobicContact CD1-CG1 4.29Å; L146-I241 HydrophobicContact CD1-CD1 4.11Å; L146-I241 HydrophobicContact CD1-CG1 4.11Å; A183-I241 HydrophobicContact CB-CG2 4.34Å; C237-I241 WeakPolarHBondContact O-CG1 3.38Å; C237-I241 PolarHBondContact O-N 3.15Å; I241-S243 PolarHBondContact O-N 2.98Å; I241-L244 PolarHBondContact O-N 3.03Å; I241-L244 VanDerWaalsContact O-N 3.12Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.17Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 2.91Å
242	S	91.7	Very high	79.3	Confident	74 Å²	74	65.2 Å²	65.2	52%	0.517	40%	0.398	S	S	.	.	H	α-helix	trans	-59.5	-42.3	-179.3	-58.5	0	0	0	0	112.8	E238 S246	E238-S242 VanDerWaalsContact O-CB 3.25Å; E238-S242 WeakPolarHBondContact O-CB 3.26Å; E238-S242 PolarHBondContact O-N 3.16Å; E238-S242 PolarHBondContact O-OG 3.06Å; S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 2.99Å; S242-S246 PolarHBondContact O-OG 2.89Å
243	S	89.9	Confident	76.8	Confident	81 Å²	81	68.9 Å²	68.9	57%	0.566	42%	0.421	S	S	*	.	H	α-helix	trans	-66.2	-35.1	176.5	-179.3	0	0	0	0	112.7	Q239 I241 S246 G247	Q239-S243 VanDerWaalsContact O-CB 3.24Å; Q239-S243 WeakPolarHBondContact O-CB 3.36Å; Q239-S243 PolarHBondContact O-N 3.23Å; I241-S243 PolarHBondContact O-N 2.98Å; S243-S246 WeakPolarHBondContact CA-OG 3.33Å; S243-S246 PolarHBondContact O-OG 3.12Å; S243-G247 PolarHBondContact O-N 2.89Å
244	L	85.2	Confident	74.4	Confident	32 Å²	32	71 Å²	71	17%	0.168	45%	0.448	C	S	.	.	H	α-helix	trans	-77	-39.9	178	-76.4	161.4	0	0	0	112.5	L142 V145 T240 I241 G247 I248	L142-L244 HydrophobicContact CD1-CB 4.01Å; L142-L244 HydrophobicContact CD1-CD1 3.35Å; L142-L244 HydrophobicContact CD1-CG 4.3Å; V145-L244 HydrophobicContact CB-CD1 3.81Å; V145-L244 HydrophobicContact CG1-CD1 3.83Å; V145-L244 HydrophobicContact CG2-CD1 4.42Å; T240-L244 HydrophobicContact CG2-CD1 3.85Å; T240-L244 WeakPolarHBondContact O-CB 3.48Å; T240-L244 WeakPolarHBondContact O-CD1 3.19Å; T240-L244 WeakPolarHBondContact O-CG 3.42Å; T240-L244 PolarHBondContact O-N 3.05Å; T240-L244 VanDerWaalsContact O-N 3.1Å; I241-L244 PolarHBondContact O-N 3.03Å; I241-L244 VanDerWaalsContact O-N 3.12Å; L244-G247 CarbonylContact O-C 3.57Å; L244-G247 PolarHBondContact O-N 3.26Å; L244-I248 WeakPolarHBondContact O-CD1 3.42Å; L244-I248 VanDerWaalsContact O-CG1 3.24Å; L244-I248 WeakPolarHBondContact O-CG1 3.46Å; L244-I248 PolarHBondContact O-N 3.08Å; L244-I248 VanDerWaalsContact O-N 3.14Å
245	L	84	Confident	71.9	Confident	75 Å²	75	72.3 Å²	72.3	39%	0.393	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-47.6	176	-67.7	176.6	0	0	0	111.6	A183 I241 G247 I248 T249	A183-L245 HydrophobicContact CB-CD1 4.4Å; A183-L245 HydrophobicContact CB-CD2 4.26Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.17Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 2.91Å; L245-G247 VanDerWaalsContact C-N 3.28Å; L245-G247 PolarHBondContact O-N 2.96Å; L245-I248 WeakPolarHBondContact O-CB 3Å; L245-I248 PolarHBondContact O-N 3.36Å; L245-T249 PolarHBondContact O-N 2.8Å; L245-T249 PolarHBondContact O-OG1 3.26Å
246	S	81.4	Confident	69.4	Low	67 Å²	67	75.9 Å²	75.9	47%	0.469	48%	0.475	S	S	.	.	H	α-helix	trans	-63.4	-32.6	173.9	54.8	0	0	0	0	112.7	S242 S243 I248 G250	S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 2.99Å; S242-S246 PolarHBondContact O-OG 2.89Å; S243-S246 WeakPolarHBondContact CA-OG 3.33Å; S243-S246 PolarHBondContact O-OG 3.12Å; S246-I248 PolarHBondContact O-N 3.33Å; S246-G250 WeakPolarHBondContact O-CA 3.49Å; S246-G250 PolarHBondContact O-N 2.9Å
247	G	68.9	Low	67	Low	61 Å²	61	83.8 Å²	83.8	63%	0.629	51%	0.507	S	S	*	.	H	α-helix	trans	-71.3	-7.4	170.6	0	0	0	0	0	115.5	S243 L244 L245	S243-G247 PolarHBondContact O-N 2.89Å; L244-G247 CarbonylContact O-C 3.57Å; L244-G247 PolarHBondContact O-N 3.26Å; L245-G247 VanDerWaalsContact C-N 3.28Å; L245-G247 PolarHBondContact O-N 2.96Å
248	I	60.9	Low	64.8	Low	131 Å²	131	88.5 Å²	88.5	67%	0.672	53%	0.532	S	S	*	.	H	α-helix	trans	-103.8	-42.1	175.9	-71.4	162.8	0	0	0	110.8	L244 L245 S246	L244-I248 WeakPolarHBondContact O-CD1 3.42Å; L244-I248 VanDerWaalsContact O-CG1 3.24Å; L244-I248 WeakPolarHBondContact O-CG1 3.46Å; L244-I248 PolarHBondContact O-N 3.08Å; L244-I248 VanDerWaalsContact O-N 3.14Å; L245-I248 WeakPolarHBondContact O-CB 3Å; L245-I248 PolarHBondContact O-N 3.36Å; S246-I248 PolarHBondContact O-N 3.33Å
249	T	52.8	Low	62.5	Low	114 Å²	114	88.8 Å²	88.8	70%	0.699	54%	0.538	S	S	*	.	H	α-helix	trans	-78.8	-18.4	175.1	56.2	0	0	0	0	113.4	L245 A251	L245-T249 PolarHBondContact O-N 2.8Å; L245-T249 PolarHBondContact O-OG1 3.26Å; T249-A251 VanDerWaalsContact C-N 3.31Å; T249-A251 PolarHBondContact O-N 3.25Å
250	G	38.2	Very low	60.1	Low	46 Å²	46	88.8 Å²	88.8	47%	0.474	54%	0.541	S	S	.	.			trans	-68.3	73.7	-178.1	0	0	0	0	0	115	S246 L252	S246-G250 WeakPolarHBondContact O-CA 3.49Å; S246-G250 PolarHBondContact O-N 2.9Å; G250-L252 PolarHBondContact O-N 2.92Å
251	A	39.5	Very low	58.2	Low	101 Å²	101	97 Å²	97	84%	0.835	57%	0.57	S	S	*	*			trans	-69.3	75.3	168	0	0	0	0	0	111.8	T249	T249-A251 VanDerWaalsContact C-N 3.31Å; T249-A251 PolarHBondContact O-N 3.25Å
252	L	43.1	Very low	56.2	Low	114 Å²	114	103.4 Å²	103.4	60%	0.597	60%	0.6	S	S	*	*			trans	64.9	90.5	161.9	-167.1	79.8	0	0	0	118.7	G250 I255	G250-L252 PolarHBondContact O-N 2.92Å; L252-I255 HydrophobicContact CD1-CB 3.69Å; L252-I255 HydrophobicContact CD1-CD1 3.77Å; L252-I255 HydrophobicContact CD1-CG1 3.58Å
253	P	36.3	Very low	54.4	Low	123 Å²	123	105 Å²	105	80%	0.799	60%	0.602	S	S	*	*	S	Bend	trans	-82.9	104.6	143	-8.6	26.9	0	0	0	110.1	I255	P253-I255 PolarHBondContact O-N 3.12Å
254	G	40.2	Very low	53	Low	69 Å²	69	108.4 Å²	108.4	71%	0.711	61%	0.606	S	S	*	*			trans	68.9	29.6	149.5	0	0	0	0	0	121	K256	G254-K256 PolarHBondContact O-N 3.07Å; G254-K256 VanDerWaalsContact O-N 3.14Å
255	I	41.3	Very low	51.6	Low	122 Å²	122	114.9 Å²	114.9	63%	0.626	63%	0.633	S	S	*	*			trans	-64.9	118.8	165.1	-59.3	174.7	0	0	0	109.1	L252 P253	L252-I255 HydrophobicContact CD1-CB 3.69Å; L252-I255 HydrophobicContact CD1-CD1 3.77Å; L252-I255 HydrophobicContact CD1-CG1 3.58Å; P253-I255 PolarHBondContact O-N 3.12Å
256	K	42	Very low	50.4	Low	158 Å²	158	112.7 Å²	112.7	69%	0.687	63%	0.628	S	S	*	*			trans	-49.7	137.3	-171	-61.5	-175.6	177.8	-174.4	0	113.1	G254 D258 T259	G254-K256 PolarHBondContact O-N 3.07Å; G254-K256 VanDerWaalsContact O-N 3.14Å; K256-D258 PolarHBondContact O-N 3.37Å; K256-T259 PolarHBondContact O-N 2.93Å; K256-T259 PolarHBondContact O-OG1 2.82Å
257	K	43.2	Very low	49.4	Very low	188 Å²	188	118 Å²	118	82%	0.817	64%	0.638	S	S	*	*	H	α-helix	trans	-51.9	-25.2	179.5	-71.6	176	176.9	172.6	0	113	T259 L260 R261	K257-T259 PolarHBondContact O-N 2.95Å; K257-L260 PolarHBondContact O-N 2.95Å; K257-R261 PolarHBondContact O-N 3.14Å
258	D	49.2	Very low	49.2	Very low	99 Å²	99	122 Å²	122	53%	0.529	64%	0.638	S	S	.	*	H	α-helix	trans	-62.1	-35.9	177.6	-47.6	-59.7	0	0	0	113.5	K256 L260 R261 Q262	K256-D258 PolarHBondContact O-N 3.37Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 2.64Å; D258-R261 PolarHBondContact O-N 2.86Å; D258-Q262 WeakPolarHBondContact O-CB 3.44Å; D258-Q262 VanDerWaalsContact O-CG 3.25Å; D258-Q262 WeakPolarHBondContact O-CG 3.32Å; D258-Q262 PolarHBondContact O-N 2.7Å
259	T	45.4	Very low	49.2	Very low	69 Å²	69	122.2 Å²	122.2	42%	0.423	63%	0.631	S	S	.	*	H	α-helix	trans	-65.8	-37.2	179.8	-48.3	0	0	0	0	111.2	K256 K257 Q262 I263	K256-T259 PolarHBondContact O-N 2.93Å; K256-T259 PolarHBondContact O-OG1 2.82Å; K257-T259 PolarHBondContact O-N 2.95Å; T259-Q262 WeakPolarHBondContact O-CB 3.46Å; T259-Q262 PolarHBondContact O-N 3.24Å; T259-I263 HydrophobicContact CG2-CD1 4.18Å; T259-I263 VanDerWaalsContact O-CG1 3.27Å; T259-I263 WeakPolarHBondContact O-CG1 3.01Å; T259-I263 PolarHBondContact O-N 2.86Å
260	L	44.9	Very low	49.7	Very low	110 Å²	110	125.7 Å²	125.7	58%	0.576	63%	0.632	S	S	*	*	H	α-helix	trans	-71	-36.8	175.2	-171.3	62.6	0	0	0	111.9	K257 D258 I263 K264	K257-L260 PolarHBondContact O-N 2.95Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 2.64Å; L260-I263 PolarHBondContact O-N 3.11Å; L260-K264 PolarHBondContact O-N 2.97Å
261	R	51.8	Low	51.2	Low	190 Å²	190	128.4 Å²	128.4	72%	0.717	63%	0.632	S	S	*	*	H	α-helix	trans	-64	-42.7	172	-74	-175.3	167.6	-157.9	-4.3	111.8	K257 D258 K264 K265	K257-R261 PolarHBondContact O-N 3.14Å; D258-R261 PolarHBondContact O-N 2.86Å; R261-K264 PolarHBondContact O-N 3.35Å; R261-K265 WeakPolarHBondContact O-CG 3.3Å; R261-K265 PolarHBondContact O-N 3.31Å
262	Q	50.8	Low	52.5	Low	147 Å²	147	127.5 Å²	127.5	69%	0.687	61%	0.612	S	S	*	*	H	α-helix	trans	-59	-46.7	172.9	-75	-97.3	0.9	0	0	111.6	D258 T259 K265 G266	D258-Q262 WeakPolarHBondContact O-CB 3.44Å; D258-Q262 VanDerWaalsContact O-CG 3.25Å; D258-Q262 WeakPolarHBondContact O-CG 3.32Å; D258-Q262 PolarHBondContact O-N 2.7Å; T259-Q262 WeakPolarHBondContact O-CB 3.46Å; T259-Q262 PolarHBondContact O-N 3.24Å; Q262-K265 PolarHBondContact O-N 2.96Å; Q262-G266 PolarHBondContact O-N 3.48Å
263	I	54.1	Low	53.6	Low	109 Å²	109	129.1 Å²	129.1	56%	0.559	61%	0.611	S	S	*	*	H	α-helix	trans	-64.5	-43.5	178.6	-69.9	164.7	0	0	0	111.5	T259 L260 G266 R267	T259-I263 HydrophobicContact CG2-CD1 4.18Å; T259-I263 VanDerWaalsContact O-CG1 3.27Å; T259-I263 WeakPolarHBondContact O-CG1 3.01Å; T259-I263 PolarHBondContact O-N 2.86Å; L260-I263 PolarHBondContact O-N 3.11Å; I263-G266 CarbonylContact O-C 3.54Å; I263-G266 PolarHBondContact O-N 3.17Å; I263-R267 PolarHBondContact O-N 3.25Å
264	K	58.8	Low	55	Low	152 Å²	152	126.3 Å²	126.3	66%	0.661	60%	0.597	S	S	*	*	H	α-helix	trans	-63.8	-45.7	176	-75.8	-170.2	175.5	-173	0	112.3	L260 R261 G266 R267 K268	L260-K264 PolarHBondContact O-N 2.97Å; R261-K264 PolarHBondContact O-N 3.35Å; K264-G266 VanDerWaalsContact C-N 3.29Å; K264-G266 PolarHBondContact O-N 3.29Å; K264-R267 PolarHBondContact O-N 2.84Å; K264-K268 PolarHBondContact O-N 3.24Å
265	K	57.6	Low	56.4	Low	167 Å²	167	125.9 Å²	125.9	73%	0.726	59%	0.587	S	S	*	*	H	α-helix	trans	-58.5	-41.5	172.3	-75.6	-172.5	174.7	-171.9	0	111.5	R261 Q262 R267 K268 Y269	R261-K265 WeakPolarHBondContact O-CG 3.3Å; R261-K265 PolarHBondContact O-N 3.31Å; Q262-K265 PolarHBondContact O-N 2.96Å; K265-R267 VanDerWaalsContact C-N 3.31Å; K265-R267 PolarHBondContact O-N 3.41Å; K265-K268 PolarHBondContact O-N 3.49Å; K265-Y269 PolarHBondContact O-N 3.12Å; K265-Y269 VanDerWaalsContact O-N 3.09Å
266	G	58.4	Low	57.7	Low	29 Å²	29	124.2 Å²	124.2	30%	0.299	58%	0.579	S	S	.	*	H	α-helix	trans	-68.1	-20.4	177.7	0	0	0	0	0	115.5	Q262 I263 K264 R270	Q262-G266 PolarHBondContact O-N 3.48Å; I263-G266 CarbonylContact O-C 3.54Å; I263-G266 PolarHBondContact O-N 3.17Å; K264-G266 VanDerWaalsContact C-N 3.29Å; K264-G266 PolarHBondContact O-N 3.29Å; G266-R270 VanDerWaalsContact O-CD 3.29Å; G266-R270 WeakPolarHBondContact O-CD 3.4Å; G266-R270 VanDerWaalsContact O-CG 3.24Å; G266-R270 WeakPolarHBondContact O-CG 3.21Å; G266-R270 PolarHBondContact O-NE 3.47Å
267	R	59.8	Low	58.9	Low	180 Å²	180	119.4 Å²	119.4	68%	0.679	57%	0.568	S	S	*	*	H	α-helix	trans	-77.9	-54.7	169.6	-126.8	-168.9	-172.7	167.4	1.7	110.7	I263 K264 K265 Y269 R270 E271	I263-R267 PolarHBondContact O-N 3.25Å; K264-R267 PolarHBondContact O-N 2.84Å; K265-R267 VanDerWaalsContact C-N 3.31Å; K265-R267 PolarHBondContact O-N 3.41Å; R267-Y269 VanDerWaalsContact C-N 3.26Å; R267-Y269 PolarHBondContact O-N 3.44Å; R267-Y269 VanDerWaalsContact O-N 3.17Å; R267-R270 WeakPolarHBondContact O-CA 3.41Å; R267-R270 WeakPolarHBondContact O-CB 3.36Å; R267-R270 PolarHBondContact O-N 3.48Å; R267-E271 VanDerWaalsContact CG-OE1 3.25Å; R267-E271 WeakPolarHBondContact CG-OE1 3.29Å; R267-E271 PolarHBondContact O-N 2.72Å
268	K	64.9	Low	60	Low	145 Å²	145	118.3 Å²	118.3	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-53.8	-40.7	-179.9	-166.3	170.5	-177.3	175.9	0	112.8	K264 K265 R270 E271 I272	K264-K268 PolarHBondContact O-N 3.24Å; K265-K268 PolarHBondContact O-N 3.49Å; K268-R270 PolarHBondContact O-N 2.81Å; K268-E271 WeakPolarHBondContact CA-OE2 3.49Å; K268-E271 PolarHBondContact O-N 2.89Å; K268-I272 HydrophobicContact CG-CD1 4.25Å; K268-I272 WeakPolarHBondContact O-CD1 3.35Å; K268-I272 VanDerWaalsContact O-CG1 3.29Å; K268-I272 WeakPolarHBondContact O-CG1 3.43Å; K268-I272 PolarHBondContact O-N 2.93Å
269	Y	59.8	Low	60.8	Low	134 Å²	134	120.8 Å²	120.8	53%	0.525	57%	0.566	S	S	.	*	H	α-helix	trans	-73.1	-20.6	177.5	-170.4	-110.4	0	0	0	114.5	K265 R267 R273	K265-Y269 PolarHBondContact O-N 3.12Å; K265-Y269 VanDerWaalsContact O-N 3.09Å; R267-Y269 VanDerWaalsContact C-N 3.26Å; R267-Y269 PolarHBondContact O-N 3.44Å; R267-Y269 VanDerWaalsContact O-N 3.17Å; Y269-R273 WeakPolarHBondContact O-CG 3.32Å; Y269-R273 PolarHBondContact O-N 3.1Å; Y269-R273 PolarHBondContact OH-NE 2.89Å; Y269-R273 PolarHBondContact OH-NH2 2.8Å
270	R	64.2	Low	61.5	Low	187 Å²	187	122.1 Å²	122.1	71%	0.706	57%	0.571	S	S	*	*	H	α-helix	trans	-80.1	-39.2	170.3	-69.7	170.5	-168.5	-169.9	4.5	111.6	G266 R267 K268 R273 A274	G266-R270 VanDerWaalsContact O-CD 3.29Å; G266-R270 WeakPolarHBondContact O-CD 3.4Å; G266-R270 VanDerWaalsContact O-CG 3.24Å; G266-R270 WeakPolarHBondContact O-CG 3.21Å; G266-R270 PolarHBondContact O-NE 3.47Å; R267-R270 WeakPolarHBondContact O-CA 3.41Å; R267-R270 WeakPolarHBondContact O-CB 3.36Å; R267-R270 PolarHBondContact O-N 3.48Å; K268-R270 PolarHBondContact O-N 2.81Å; R270-R273 PolarHBondContact O-N 2.8Å; R270-A274 PolarHBondContact O-N 3.11Å
271	E	69.8	Low	62.2	Low	103 Å²	103	126 Å²	126	48%	0.481	58%	0.578	S	S	.	*	H	α-helix	trans	-60.6	-46.1	174.3	-71.5	138.3	-151.5	0	0	110.6	R267 K268 R273 A274 A275	R267-E271 VanDerWaalsContact CG-OE1 3.25Å; R267-E271 WeakPolarHBondContact CG-OE1 3.29Å; R267-E271 PolarHBondContact O-N 2.72Å; K268-E271 WeakPolarHBondContact CA-OE2 3.49Å; K268-E271 PolarHBondContact O-N 2.89Å; E271-R273 PolarHBondContact O-N 3.01Å; E271-A274 WeakPolarHBondContact O-CB 3.49Å; E271-A274 PolarHBondContact O-N 2.81Å; E271-A274 VanDerWaalsContact O-N 3.13Å; E271-A275 PolarHBondContact O-N 2.66Å
272	I	67.5	Low	62.5	Low	82 Å²	82	119.6 Å²	119.6	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-58.2	-44.7	173.2	-69.1	163.9	0	0	0	111.8	K268 A274 A275 I276	K268-I272 HydrophobicContact CG-CD1 4.25Å; K268-I272 WeakPolarHBondContact O-CD1 3.35Å; K268-I272 VanDerWaalsContact O-CG1 3.29Å; K268-I272 WeakPolarHBondContact O-CG1 3.43Å; K268-I272 PolarHBondContact O-N 2.93Å; I272-A274 VanDerWaalsContact C-N 3.33Å; I272-A274 PolarHBondContact O-N 3.19Å; I272-A275 PolarHBondContact O-N 2.83Å; I272-I276 HydrophobicContact CG2-CD1 3.81Å; I272-I276 WeakPolarHBondContact O-CG1 3.48Å; I272-I276 PolarHBondContact O-N 2.84Å
273	R	65.4	Low	62.7	Low	149 Å²	149	116 Å²	116	56%	0.562	55%	0.551	S	S	*	*	H	α-helix	trans	-65.2	-33.8	175.9	-77.8	-177.6	179.1	-158.1	-2.2	113.4	Y269 R270 E271 A277	Y269-R273 WeakPolarHBondContact O-CG 3.32Å; Y269-R273 PolarHBondContact O-N 3.1Å; Y269-R273 PolarHBondContact OH-NE 2.89Å; Y269-R273 PolarHBondContact OH-NH2 2.8Å; R270-R273 PolarHBondContact O-N 2.8Å; E271-R273 PolarHBondContact O-N 3.01Å; R273-A277 VanDerWaalsContact O-CB 3.24Å; R273-A277 WeakPolarHBondContact O-CB 3.26Å; R273-A277 PolarHBondContact O-N 2.91Å
274	A	66.9	Low	62.6	Low	63 Å²	63	116.4 Å²	116.4	52%	0.521	55%	0.549	S	S	.	.	H	α-helix	trans	-68.9	-37.8	175.4	0	0	0	0	0	111.6	R270 E271 I272 K278	R270-A274 PolarHBondContact O-N 3.11Å; E271-A274 WeakPolarHBondContact O-CB 3.49Å; E271-A274 PolarHBondContact O-N 2.81Å; E271-A274 VanDerWaalsContact O-N 3.13Å; I272-A274 VanDerWaalsContact C-N 3.33Å; I272-A274 PolarHBondContact O-N 3.19Å; A274-K278 WeakPolarHBondContact O-CB 3.25Å; A274-K278 PolarHBondContact O-N 2.78Å; A274-K278 VanDerWaalsContact O-N 3.11Å
275	A	69.3	Low	62.2	Low	60 Å²	60	116.6 Å²	116.6	50%	0.496	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-50.2	172.9	0	0	0	0	0	111.8	E271 I272 A277 K278 Y279	E271-A275 PolarHBondContact O-N 2.66Å; I272-A275 PolarHBondContact O-N 2.83Å; A275-A277 VanDerWaalsContact C-N 3.34Å; A275-A277 PolarHBondContact O-N 2.81Å; A275-K278 WeakPolarHBondContact O-CA 3.18Å; A275-K278 WeakPolarHBondContact O-CB 3.32Å; A275-K278 PolarHBondContact O-N 2.74Å; A275-Y279 PolarHBondContact O-N 3.25Å
276	I	68.6	Low	62	Low	88 Å²	88	112.9 Å²	112.9	45%	0.451	55%	0.545	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176.9	-65	165.7	0	0	0	111	I272 K278 Y279 N280	I272-I276 HydrophobicContact CG2-CD1 3.81Å; I272-I276 WeakPolarHBondContact O-CG1 3.48Å; I272-I276 PolarHBondContact O-N 2.84Å; I276-K278 PolarHBondContact O-N 2.82Å; I276-Y279 PolarHBondContact O-N 3.49Å; I276-N280 WeakPolarHBondContact O-CB 3.23Å; I276-N280 VanDerWaalsContact O-CG 3.31Å; I276-N280 PolarHBondContact O-N 2.94Å; I276-N280 PolarHBondContact O-OD1 3.23Å
277	A	66.1	Low	61.5	Low	56 Å²	56	116.2 Å²	116.2	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-15.7	176.1	0	0	0	0	0	114.2	R273 A275 R281	R273-A277 VanDerWaalsContact O-CB 3.24Å; R273-A277 WeakPolarHBondContact O-CB 3.26Å; R273-A277 PolarHBondContact O-N 2.91Å; A275-A277 VanDerWaalsContact C-N 3.34Å; A275-A277 PolarHBondContact O-N 2.81Å; A277-R281 WeakPolarHBondContact O-CG 3.45Å
278	K	67.6	Low	60.9	Low	165 Å²	165	112 Å²	112	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-87.1	-41.6	171.3	-161.7	-179.2	-177.8	-171	0	110.9	A274 A275 I276 R281 A282	A274-K278 WeakPolarHBondContact O-CB 3.25Å; A274-K278 PolarHBondContact O-N 2.78Å; A274-K278 VanDerWaalsContact O-N 3.11Å; A275-K278 WeakPolarHBondContact O-CA 3.18Å; A275-K278 WeakPolarHBondContact O-CB 3.32Å; A275-K278 PolarHBondContact O-N 2.74Å; I276-K278 PolarHBondContact O-N 2.82Å; K278-R281 PolarHBondContact O-N 3.07Å; K278-A282 PolarHBondContact O-N 3.41Å
279	Y	64.7	Low	60	Low	151 Å²	151	110 Å²	110	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-59.2	-53.7	174	-168.9	-86.7	0	0	0	111.3	A275 I276 R281 A282 D283	A275-Y279 PolarHBondContact O-N 3.25Å; I276-Y279 PolarHBondContact O-N 3.49Å; Y279-R281 PolarHBondContact O-N 2.89Å; Y279-A282 WeakPolarHBondContact O-CB 3.33Å; Y279-A282 PolarHBondContact O-N 3.19Å; Y279-D283 WeakPolarHBondContact CE1-OD2 3.37Å; Y279-D283 PolarHBondContact O-N 3.07Å
280	N	60.7	Low	59.5	Low	97 Å²	97	107.6 Å²	107.6	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-7.6	178.5	-62.9	28.6	0	0	0	114.2	I276	I276-N280 WeakPolarHBondContact O-CB 3.23Å; I276-N280 VanDerWaalsContact O-CG 3.31Å; I276-N280 PolarHBondContact O-N 2.94Å; I276-N280 PolarHBondContact O-OD1 3.23Å
281	R	60.6	Low	58.7	Low	193 Å²	193	106.9 Å²	106.9	73%	0.728	56%	0.559	S	S	*	*	H	α-helix	trans	-90.6	-37.3	169.1	-83.3	177.9	169	172	-5.1	112.2	A277 K278 Y279 K284 M285	A277-R281 WeakPolarHBondContact O-CG 3.45Å; K278-R281 PolarHBondContact O-N 3.07Å; Y279-R281 PolarHBondContact O-N 2.89Å; R281-K284 PolarHBondContact O-N 3.09Å; R281-M285 WeakPolarHBondContact O-CG 3.22Å; R281-M285 PolarHBondContact O-N 2.85Å
282	A	56.3	Low	57.4	Low	55 Å²	55	109.6 Å²	109.6	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-62.5	-47.9	170.9	0	0	0	0	0	110.7	K278 Y279 K284 M285 T286	K278-A282 PolarHBondContact O-N 3.41Å; Y279-A282 WeakPolarHBondContact O-CB 3.33Å; Y279-A282 PolarHBondContact O-N 3.19Å; A282-K284 PolarHBondContact O-N 2.93Å; A282-K284 VanDerWaalsContact O-N 3.15Å; A282-M285 PolarHBondContact O-N 3.24Å; A282-T286 PolarHBondContact O-N 3.39Å; A282-T286 PolarHBondContact O-OG1 2.89Å
283	D	54.9	Low	56.2	Low	70 Å²	70	112.5 Å²	112.5	37%	0.374	59%	0.591	S	S	.	*	H	α-helix	trans	-60.4	-23.1	176.3	-93.8	-5	0	0	0	114.2	Y279 T286 N287	Y279-D283 WeakPolarHBondContact CE1-OD2 3.37Å; Y279-D283 PolarHBondContact O-N 3.07Å; D283-T286 WeakPolarHBondContact CA-OG1 3.49Å; D283-T286 PolarHBondContact O-OG1 3.24Å; D283-T286 VanDerWaalsContact O-OG1 3.09Å; D283-N287 PolarHBondContact O-N 2.88Å; D283-N287 PolarHBondContact O-ND2 3.12Å
284	K	52.2	Low	55	Low	119 Å²	119	114.5 Å²	114.5	52%	0.517	60%	0.604	S	S	.	*	H	α-helix	trans	-80.5	-39.2	172.6	-162.7	-179.1	-169.8	-64.2	0	111.7	R281 A282 T286 N287 D288	R281-K284 PolarHBondContact O-N 3.09Å; A282-K284 PolarHBondContact O-N 2.93Å; A282-K284 VanDerWaalsContact O-N 3.15Å; K284-T286 VanDerWaalsContact C-N 3.29Å; K284-T286 PolarHBondContact O-N 3.44Å; K284-N287 PolarHBondContact O-N 3.02Å; K284-D288 IonicContact NZ-OD1 3.69Å; K284-D288 PolarHBondContact NZ-OD1 3.3Å; K284-D288 IonicContact NZ-OD2 3.37Å; K284-D288 PolarHBondContact NZ-OD2 3.45Å; K284-D288 PolarHBondContact O-N 3.25Å
285	M	51.4	Low	53.3	Low	156 Å²	156	118.8 Å²	118.8	77%	0.768	62%	0.618	S	S	*	*	H	α-helix	trans	-69	-26.4	178	-65.6	-179.3	96.3	0	0	112.6	R281 A282	R281-M285 WeakPolarHBondContact O-CG 3.22Å; R281-M285 PolarHBondContact O-N 2.85Å; A282-M285 PolarHBondContact O-N 3.24Å
286	T	52	Low	51.6	Low	88 Å²	88	123.7 Å²	123.7	54%	0.54	64%	0.635	S	S	.	*	H	α-helix	trans	-75	-39.6	170.7	51.8	0	0	0	0	112.6	A282 D283 K284	A282-T286 PolarHBondContact O-N 3.39Å; A282-T286 PolarHBondContact O-OG1 2.89Å; D283-T286 WeakPolarHBondContact CA-OG1 3.49Å; D283-T286 PolarHBondContact O-OG1 3.24Å; D283-T286 VanDerWaalsContact O-OG1 3.09Å; K284-T286 VanDerWaalsContact C-N 3.29Å; K284-T286 PolarHBondContact O-N 3.44Å
287	N	49.4	Very low	50	Low	99 Å²	99	125.3 Å²	125.3	53%	0.529	65%	0.651	S	S	.	*	H	α-helix	trans	-76.5	-35.7	179.9	-82.4	-71.4	0	0	0	114.4	D283 K284 S289 S290	D283-N287 PolarHBondContact O-N 2.88Å; D283-N287 PolarHBondContact O-ND2 3.12Å; K284-N287 PolarHBondContact O-N 3.02Å; N287-S289 PolarHBondContact O-N 3.14Å; N287-S289 VanDerWaalsContact O-N 3.15Å; N287-S290 PolarHBondContact O-N 2.93Å; N287-S290 PolarHBondContact O-OG 3.46Å; N287-S290 VanDerWaalsContact O-OG 3.05Å
288	D	46.3	Very low	48.4	Very low	91 Å²	91	132 Å²	132	49%	0.487	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-19.5	175.1	-71.1	-30.6	0	0	0	111.6	K284	K284-D288 IonicContact NZ-OD1 3.69Å; K284-D288 PolarHBondContact NZ-OD1 3.3Å; K284-D288 IonicContact NZ-OD2 3.37Å; K284-D288 PolarHBondContact NZ-OD2 3.45Å; K284-D288 PolarHBondContact O-N 3.25Å
289	S	46.5	Very low	46.5	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-15.5	177.9	-153.6	0	0	0	0	114.1	N287	N287-S289 PolarHBondContact O-N 3.14Å; N287-S289 VanDerWaalsContact O-N 3.15Å
290	S	50.3	Low	45	Very low	82 Å²	82	134.8 Å²	134.8	57%	0.573	69%	0.692	S	S	*	*	S	Bend	trans	-102.3	-4.8	-174.2	66.4	0	0	0	0	115.1	N287	N287-S290 PolarHBondContact O-N 2.93Å; N287-S290 PolarHBondContact O-OG 3.46Å; N287-S290 VanDerWaalsContact O-OG 3.05Å
291	Q	47.1	Very low	43.7	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	70%	0.704	S	S	*	*	S	Bend	trans	-108.1	-2.6	-176.2	-68.6	-161.4	-10.6	0	0	116	N293	Q291-N293 VanDerWaalsContact C-N 3.3Å; Q291-N293 PolarHBondContact O-N 3.2Å
292	I	40.7	Very low	42.4	Very low	160 Å²	160	132.7 Å²	132.7	82%	0.821	71%	0.709	S	S	*	*	S	Bend	trans	-95.1	47.5	174.5	-41.3	-176.9	0	0	0	111.1
293	N	42.6	Very low	41.3	Very low	143 Å²	143	135.8 Å²	135.8	77%	0.765	72%	0.722	S	S	*	*			trans	-157.8	76.5	170.3	-151.8	-12.5	0	0	0	114.1	Q291	Q291-N293 VanDerWaalsContact C-N 3.3Å; Q291-N293 PolarHBondContact O-N 3.2Å
294	K	41.2	Very low	40.4	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	74%	0.74	S	S	*	*			trans	-172.2	152.7	154.7	-103.2	142.3	-167	173.1	0	112.3
295	N	31.6	Very low	39.4	Very low	152 Å²	152	140 Å²	140	81%	0.813	74%	0.744	S	S	*	*			trans	78.6	75.1	168	-55	-7	0	0	0	118.1
296	I	33.6	Very low	38.6	Very low	164 Å²	164	140.1 Å²	140.1	84%	0.841	74%	0.743	S	S	*	*			trans	-120.1	117.1	145.3	-61.7	176.7	0	0	0	107.3
297	P	34.9	Very low	37.7	Very low	122 Å²	122	140.4 Å²	140.4	79%	0.792	75%	0.748	S	S	*	*			trans	-74.5	141.6	174	-15.8	31.2	0	0	0	112
298	Q	32	Very low	37	Very low	196 Å²	196	141.2 Å²	141.2	92%	0.916	76%	0.762	S	S	*	*			trans	-81.4	145.3	176.5	-66.4	174.9	-33.9	0	0	112.2
299	R	28.1	Very low	36.2	Very low	240 Å²	240	140.8 Å²	140.8	91%	0.906	77%	0.766	S	S	*	*			trans	-150.2	122.4	145.7	-128.8	175.7	-174	172.5	2.1	112.4
300	T	33.3	Very low	35.4	Very low	134 Å²	134	145.4 Å²	145.4	82%	0.822	77%	0.773	S	S	*	*			trans	-24.1	132.5	168.6	50.7	0	0	0	0	118.5
301	A	33.7	Very low	34.2	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	78%	0.78	S	S	*	*				-175.8	120.9	107.1	0	0	0	0	0	113.2
302	D	32.4	Very low	34.6	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	78%	0.775	S	S	*	*			trans	11.4	166.3	155.8	-56.4	-64.4	0	0	0	126.6
303	V	33.8	Very low	34.2	Very low	120 Å²	120	142.9 Å²	142.9	73%	0.727	78%	0.777	S	S	*	*			trans	90.7	99.8	159.2	-167.8	0	0	0	0	118.8
304	Q	34.6	Very low	33.8	Very low	165 Å²	165	141 Å²	141	77%	0.771	78%	0.775	S	S	*	*				40.8	145	128.3	-62.1	176.3	-15.7	0	0	120.8
305	N	33.1	Very low	33.3	Very low	112 Å²	112	138.3 Å²	138.3	60%	0.599	77%	0.77	S	S	*	*			cis	-163.2	175.4	3.9	-113.9	-8.1	0	0	0	111.9
306	H	34.3	Very low	33.4	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.736	76%	0.762	S	S	*	*			trans	5	152	155.8	-46.9	-55.2	0	0	0	122
307	S	32.8	Very low	33.1	Very low	93 Å²	93	136.4 Å²	136.4	65%	0.65	76%	0.762	S	S	*	*			cis	178.6	155.7	-16.9	52.7	0	0	0	0	110.9
308	S	33.8	Very low	34.2	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	76%	0.763	S	S	*	*			trans	61.1	162	157	56.3	0	0	0	0	120.3
309	S	30	Very low	33.8	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	76%	0.757	S	S	*	*			cis	-171.8	163.7	-35	-167.9	0	0	0	0	110.7
310	F	29.8	Very low	33.9	Very low	203 Å²	203	128.6 Å²	128.6	89%	0.89	76%	0.757	S	S	*	*			trans	72.6	143.3	161.7	-52.1	-62.6	0	0	0	121.8
311	G	24.8	Very low	34.2	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	75%	0.751	S	S	*	*			trans	-115.4	-135.3	156.7	0	0	0	0	0	109.1
312	P	55.8	Low	34	Very low	110 Å²	110	134.3 Å²	134.3	71%	0.714	76%	0.758	S	S	*	*			cis	-144.9	-176.9	-8.3	42.9	-23.1	0	0	0	116.8
313	E	31.9	Very low	34.7	Very low	181 Å²	181	132 Å²	132	85%	0.846	75%	0.751	S	S	*	*			trans	71	166.9	140.9	-83.3	172.6	135.9	0	0	127.1
314	S	33.8	Very low	34.4	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	76%	0.759	S	S	*	*			trans	76.6	148.7	166.9	-76.4	0	0	0	0	121.4
315	D	31.9	Very low	34.3	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	76%	0.76	S	S	*	*			cis	-165.1	159.8	-21.2	-125	-64.6	0	0	0	117.2
316	S	32.6	Very low	35.1	Very low	92 Å²	92	133.6 Å²	133.6	64%	0.643	77%	0.766	S	S	*	*			trans	25.9	119	150.4	-66.3	0	0	0	0	129.1
317	H	28	Very low	34.8	Very low	183 Å²	183	131.2 Å²	131.2	85%	0.847	77%	0.767	S	S	*	*				57.8	-177.4	126.8	-77.7	-61.5	0	0	0	124.1
318	P	57.1	Low	34.5	Very low	124 Å²	124	135.5 Å²	135.5	81%	0.805	77%	0.774	S	S	*	*				-136	173.5	-76	42.9	-25.4	0	0	0	118.2
319	G	25	Very low	34.3	Very low	78 Å²	78	138.5 Å²	138.5	80%	0.804	78%	0.776	S	S	*	*			trans	174.8	165	167.4	0	0	0	0	0	120
320	Q	30.2	Very low	34	Very low	192 Å²	192	139.7 Å²	139.7	90%	0.897	78%	0.78	S	S	*	*			trans	-142.3	-171.4	172.1	-42.3	-176.5	-85.6	0	0	110.2
321	P	37.9	Very low	33.8	Very low	107 Å²	107	135.3 Å²	135.3	70%	0.695	77%	0.774	S	S	*	*			cis	-135.1	166.1	-20	40.2	-24	0	0	0	116.3
322	R	29.3	Very low	34	Very low	240 Å²	240	140.7 Å²	140.7	91%	0.906	78%	0.781	S	S	*	*			trans	34.3	169.3	144.7	-72	-170.5	-176.6	-166.1	1.9	123.2
323	P	48.3	Very low	32.7	Very low	107 Å²	107	140.8 Å²	140.8	70%	0.695	78%	0.784	S	S	*	*			cis	-128.2	179.1	-24.4	39.5	-24.1	0	0	0	113.8
324	L	27.2	Very low	32.7	Very low	171 Å²	171	138.4 Å²	138.4	90%	0.895	77%	0.773	S	S	*	*			trans	172.8	159.5	131.9	-95.1	164.1	0	0	0	112.8
325	D	32.5	Very low	32.5	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	77%	0.772	S	S	*	*			trans	-139.2	174.5	176	-126.1	-22.7	0	0	0	105.8
326	P	50.2	Low	32.3	Very low	111 Å²	111	142.4 Å²	142.4	72%	0.721	78%	0.775	S	S	*	*			cis	-135	-174	-0.5	43.1	-25.7	0	0	0	114.7
327	S	27	Very low	32.3	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	77%	0.773	S	S	*	*				159.3	152.7	118.4	-163	0	0	0	0	115.7
328	F	26.8	Very low	32.3	Very low	182 Å²	182	145.8 Å²	145.8	80%	0.798	78%	0.779	S	S	*	*			trans	-64.3	152.7	-176.9	-62.9	-108	0	0	0	116.7
329	Q	29.6	Very low	31.1	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	78%	0.779	S	S	*	*				166.4	120.8	106.4	-85.4	-161.8	-13.1	0	0	109.5
330	T	24.6	Very low	31.5	Very low	107 Å²	107	153.9 Å²	153.9	66%	0.656	79%	0.785	S	S	*	*				76.6	105.4	62.2	61.5	0	0	0	0	116.9
331	S	25.7	Very low	31.3	Very low	112 Å²	112	149.5 Å²	149.5	78%	0.783	77%	0.771	S	S	*	*			trans	-169.9	123.5	141.5	46.4	0	0	0	0	106.8
332	E	27.8	Very low	30.8	Very low	182 Å²	182	154.7 Å²	154.7	85%	0.85	78%	0.783	S	S	*	*			cis	78.2	106.1	39.5	-63.5	-155.2	127.4	0	0	116.2
333	S	29.8	Very low	30.7	Very low	112 Å²	112	149.4 Å²	149.4	78%	0.783	78%	0.778	S	S	*	*				-171.3	120	124.6	37.2	0	0	0	0	106.8
334	E	30.7	Very low	29.8	Very low	130 Å²	130	149.5 Å²	149.5	61%	0.607	78%	0.781	S	S	*	*				60.6	141.9	76.6	-73.2	-138.4	123.9	0	0	113.2	K337	E334-K337 WeakPolarHBondContact OE1-CE 3.41Å; E334-K337 IonicContact OE1-NZ 2.67Å; E334-K337 PolarHBondContact OE1-NZ 3.31Å
335	T	29.8	Very low	30.1	Very low	116 Å²	116	146.4 Å²	146.4	71%	0.712	77%	0.774	S	S	*	*			cis	-148.8	-179	34.6	57.5	0	0	0	0	109.6
336	R	29.2	Very low	30.3	Very low	209 Å²	209	145.3 Å²	145.3	79%	0.789	78%	0.775	S	S	*	*			cis	-167.5	164.5	-24.7	-103.2	159.7	54.6	168.5	-4.9	106.3
337	K	30.9	Very low	29.3	Very low	140 Å²	140	146.2 Å²	146.2	61%	0.609	78%	0.779	S	S	*	*			cis	-175.6	119.2	-40.5	-104.8	177	-164.5	162.9	0	105.3	E334	E334-K337 WeakPolarHBondContact OE1-CE 3.41Å; E334-K337 IonicContact OE1-NZ 2.67Å; E334-K337 PolarHBondContact OE1-NZ 3.31Å
338	Q	29.6	Very low	29.9	Very low	205 Å²	205	146.7 Å²	146.7	96%	0.958	78%	0.779	S	S	*	*			trans	-132.7	150.9	163.7	-116.5	179.4	11.2	0	0	112.4
339	H	31	Very low	29.9	Very low	175 Å²	175	147 Å²	147	81%	0.81	78%	0.782	S	S	*	*			trans	-118.5	152.4	-156.5	-73.5	-121.9	0	0	0	112.6
340	Q	33.8	Very low	29.7	Very low	197 Å²	197	146.4 Å²	146.4	92%	0.921	78%	0.784	S	S	*	*				-162.1	156.8	116.8	-105.7	171.6	17.3	0	0	110.6
341	T	26.1	Very low	29.8	Very low	101 Å²	101	147.6 Å²	147.6	62%	0.62	79%	0.791	S	S	*	*			trans	-141.6	130.1	-160.3	-48	0	0	0	0	111.4
342	F	26	Very low	29.8	Very low	215 Å²	215	146.5 Å²	146.5	94%	0.943	78%	0.783	S	S	*	*			trans	-151.9	117.4	154.1	-86.4	-67	0	0	0	111.5
343	T	28.5	Very low	30	Very low	129 Å²	129	146.9 Å²	146.9	79%	0.791	79%	0.785	S	S	*	*			trans	-86.5	169.2	158	44.2	0	0	0	0	109.1
344	S	29.7	Very low	30	Very low	109 Å²	109	148 Å²	148	76%	0.762	78%	0.782	S	S	*	*			cis	-151.1	174.5	16.4	59.3	0	0	0	0	112.3
345	S	32.2	Very low	30.1	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	79%	0.788	S	S	*	*			trans	-71.7	168.8	159.1	-52	0	0	0	0	111.6
346	P	36.7	Very low	30.1	Very low	125 Å²	125	149.6 Å²	149.6	81%	0.812	79%	0.793	S	S	*	*				-145	171.7	101.8	39.6	-25.6	0	0	0	115.8
347	T	29.5	Very low	30	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	78%	0.783	S	S	*	*			trans	-82.3	165.9	167.5	12.2	0	0	0	0	112
348	P	40.5	Very low	29.8	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	79%	0.792	S	S	*	*			trans	-85.9	159.1	-163.4	34.9	-37.4	0	0	0	114.9
349	H	25.1	Very low	29.9	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.875	79%	0.789	S	S	*	*			trans	-124.2	150.3	163.8	-96.1	-98.5	0	0	0	111.6
350	L	26.4	Very low	29.7	Very low	167 Å²	167	142.7 Å²	142.7	87%	0.874	79%	0.79	S	S	*	*			trans	-92.2	134.4	178.7	-177.1	76.4	0	0	0	109.8
351	V	26.2	Very low	29.3	Very low	132 Å²	132	140.3 Å²	140.3	80%	0.8	79%	0.789	S	S	*	*			trans	-139.5	131.4	168.6	177.7	0	0	0	0	109.2
352	S	26.7	Very low	29.3	Very low	89 Å²	89	142.5 Å²	142.5	62%	0.622	80%	0.797	S	S	*	*			trans	-95.2	165.4	172.1	46.6	0	0	0	0	111.4
353	H	31	Very low	30.6	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.875	79%	0.785	S	S	*	*			trans	-112.2	122.4	164	-88.7	-86.2	0	0	0	109.5
354	D	30.1	Very low	30.5	Very low	136 Å²	136	137 Å²	137	73%	0.727	79%	0.788	S	S	*	*			trans	-83.7	166.3	160.2	-46.8	-67.2	0	0	0	108.9
355	S	33.1	Very low	30.7	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	79%	0.793	S	S	*	*			cis	-126.7	-153.5	3.2	-51.4	0	0	0	0	109.2
356	E	29.3	Very low	30.5	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	80%	0.798	S	S	*	*			cis	-159.8	177.1	5.5	-135.6	-170.6	88.9	0	0	106
357	S	27.1	Very low	30.3	Very low	82 Å²	82	146.4 Å²	146.4	57%	0.573	80%	0.797	S	S	*	*			cis	-156.5	-164.7	10.6	-159	0	0	0	0	112.5
358	L	27.9	Very low	30.2	Very low	154 Å²	154	143.4 Å²	143.4	81%	0.806	79%	0.792	S	S	*	*			trans	-46.1	127.6	178.4	-61.2	162.3	0	0	0	116.9
359	L	29.8	Very low	29.8	Very low	169 Å²	169	142.1 Å²	142.1	89%	0.885	79%	0.791	S	S	*	*				-170.3	164.9	89.8	-101.6	176.5	0	0	0	111.9
360	Q	27.6	Very low	30	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	79%	0.79	S	S	*	*			trans	-150.9	121.3	-166.8	-175.9	179.6	20.1	0	0	112.5
361	T	25.6	Very low	30.3	Very low	148 Å²	148	137.4 Å²	137.4	91%	0.908	78%	0.781	S	S	*	*			trans	-158.7	155.1	160	5.1	0	0	0	0	111.2
362	D	27.1	Very low	30.4	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	78%	0.781	S	S	*	*			trans	-142.5	-160.8	-170.5	-163.9	36.6	0	0	0	109.4
363	P	52.1	Low	30.6	Very low	105 Å²	105	143 Å²	143	68%	0.682	79%	0.788	S	S	*	*				-106.8	178.2	-97.4	38.3	-27	0	0	0	115.1
364	S	27.4	Very low	30.6	Very low	123 Å²	123	140.7 Å²	140.7	86%	0.86	78%	0.782	S	S	*	*			trans	-166.8	163.3	145.7	41.6	0	0	0	0	113.2
365	Q	32.2	Very low	30.5	Very low	184 Å²	184	137.6 Å²	137.6	86%	0.86	78%	0.782	S	S	*	*			trans	-119.5	157.8	-179.1	-63.9	178.2	-32.9	0	0	111.7
366	H	28.6	Very low	30.7	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.866	79%	0.791	S	S	*	*			trans	156.4	157.4	147.3	-92	-72	0	0	0	107.9
367	E	32.5	Very low	30.8	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	80%	0.796	S	S	*	*			cis	159.5	137.7	-27.5	-113.2	-66.3	167.1	0	0	105.7
368	G	27.5	Very low	31.1	Very low	67 Å²	67	146.2 Å²	146.2	69%	0.691	80%	0.801	S	S	*	*			trans	65.1	165.2	177.4	0	0	0	0	0	118.5
369	A	31.7	Very low	31.2	Very low	91 Å²	91	146.7 Å²	146.7	75%	0.752	80%	0.802	S	S	*	*			cis	-168	158.9	-23.3	0	0	0	0	0	109.7
370	D	29.5	Very low	31.5	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	79%	0.793	S	S	*	*			trans	62.2	156.6	163.2	-76.6	-28.2	0	0	0	119.3
371	S	32.6	Very low	31.6	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	80%	0.795	S	S	*	*			cis	-169	-177.5	-23	-172.9	0	0	0	0	109.4
372	V	29.4	Very low	31.8	Very low	133 Å²	133	143.1 Å²	143.1	81%	0.806	79%	0.788	S	S	*	*			trans	74.7	138.4	163.9	-170.6	0	0	0	0	117.3
373	R	30.8	Very low	32	Very low	207 Å²	207	145.7 Å²	145.7	78%	0.781	80%	0.795	S	S	*	*			cis	172.6	141.7	-30.4	164.3	179.2	176.3	-179.5	4.2	109
374	D	30.6	Very low	30.8	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	80%	0.804	S	S	*	*			trans	56.9	152.5	166.3	-69.9	-46.4	0	0	0	118.2
375	G	29	Very low	30.8	Very low	70 Å²	70	146.8 Å²	146.8	72%	0.722	81%	0.805	S	S	*	*			cis	-170	-175.1	1.4	0	0	0	0	0	113.6
376	M	36.7	Very low	30.6	Very low	189 Å²	189	146 Å²	146	93%	0.931	80%	0.803	S	S	*	*			trans	-69	154	-170.1	-64.4	164.6	150.8	0	0	116.2
377	K	30.5	Very low	30.5	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	80%	0.796	S	S	*	*				-161.1	147	126.5	-109.7	158.1	-172.3	173.3	0	114.1
378	E	33.8	Very low	30.2	Very low	143 Å²	143	144.7 Å²	144.7	67%	0.668	80%	0.802	S	S	*	*			trans	-114.4	133.8	178.1	177.1	-165.4	179.8	0	0	109.2	K380	E378-K380 VanDerWaalsContact OE1-CE 3.27Å; E378-K380 WeakPolarHBondContact OE1-CE 3.11Å; E378-K380 IonicContact OE1-NZ 3.77Å; E378-K380 PolarHBondContact OE1-NZ 2.76Å
379	I	30.5	Very low	30.1	Very low	163 Å²	163	145.4 Å²	145.4	84%	0.836	81%	0.809	S	S	*	*			trans	-140.4	136	165.2	-63.6	-174.6	0	0	0	109.5
380	K	36.1	Very low	29.9	Very low	157 Å²	157	152.5 Å²	152.5	68%	0.683	82%	0.817	S	S	*	*			trans	-110.5	164.4	171	-62.7	173	177.2	118.6	0	109.6	E378	E378-K380 VanDerWaalsContact OE1-CE 3.27Å; E378-K380 WeakPolarHBondContact OE1-CE 3.11Å; E378-K380 IonicContact OE1-NZ 3.77Å; E378-K380 PolarHBondContact OE1-NZ 2.76Å
381	I	30	Very low	30.1	Very low	172 Å²	172	149.9 Å²	149.9	88%	0.882	81%	0.807	S	S	*	*			trans	147.3	140.4	161.6	-85.4	155.6	0	0	0	108.5
382	A	29.2	Very low	29.9	Very low	92 Å²	92	155.1 Å²	155.1	76%	0.76	82%	0.817	S	S	*	*			cis	-163	-173.9	-19.7	0	0	0	0	0	109.9
383	E	31.1	Very low	30	Very low	201 Å²	201	155.2 Å²	155.2	94%	0.939	81%	0.813	S	S	*	*			trans	-76.8	162.7	177.1	-56.4	169.2	104.9	0	0	113.4
384	G	27.8	Very low	30	Very low	84 Å²	84	155 Å²	155	87%	0.866	82%	0.821	S	S	*	*			trans	-175	106.9	175.5	0	0	0	0	0	117.3
385	L	26.5	Very low	29.8	Very low	167 Å²	167	157.4 Å²	157.4	87%	0.874	83%	0.828	S	S	*	*			trans	-58.1	134.8	-176.8	-74.6	146.4	0	0	0	118.8
386	M	27.2	Very low	29.9	Very low	169 Å²	169	160.1 Å²	160.1	83%	0.833	83%	0.83	S	S	*	*				33.9	143	125.1	-76.9	-153.5	174.5	0	0	124.8
387	V	26.8	Very low	29.3	Very low	119 Å²	119	157.3 Å²	157.3	72%	0.721	82%	0.823	S	S	*	*				115.3	125.4	127.5	141.4	0	0	0	0	122.2
388	K	26	Very low	29.3	Very low	207 Å²	207	154.2 Å²	154.2	90%	0.9	82%	0.817	S	S	*	*			trans	64.5	126.5	156.9	-79.6	173.3	179	170.4	0	122.5
389	G	25.3	Very low	29.1	Very low	82 Å²	82	152.5 Å²	152.5	85%	0.845	82%	0.816	S	S	*	*			trans	-164.3	110.3	160.5	0	0	0	0	0	111.9
390	R	28.8	Very low	29	Very low	240 Å²	240	153.3 Å²	153.3	91%	0.906	81%	0.814	S	S	*	*			trans	-78.8	128.3	-163.8	-116.2	-178	172.4	163.1	-5.4	115.3
391	T	32.5	Very low	28.8	Very low	105 Å²	105	154.8 Å²	154.8	64%	0.644	82%	0.823	S	S	*	*				45.9	127.8	125.7	59.4	0	0	0	0	122.7
392	K	29.3	Very low	28.7	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.896	82%	0.819	S	S	*	*				-149.4	160.4	120.8	-126.3	-177.2	-179.4	-171.2	0	110.9
393	D	31.4	Very low	28.7	Very low	136 Å²	136	160.3 Å²	160.3	73%	0.727	82%	0.82	S	S	*	*			trans	-111.2	152.9	-157	-37.6	-95.8	0	0	0	112.9
394	E	30.9	Very low	28.6	Very low	201 Å²	201	155 Å²	155	94%	0.939	81%	0.811	S	S	*	*			trans	-158.1	171	137.3	-123.9	171.3	-171	0	0	111.7
395	E	27	Very low	28.7	Very low	191 Å²	191	158.9 Å²	158.9	89%	0.893	81%	0.806	S	S	*	*			trans	-102.8	165	-143.8	-155.6	169.3	136.8	0	0	116.5
396	V	29.7	Very low	28.9	Very low	128 Å²	128	157 Å²	157	78%	0.776	79%	0.793	S	S	*	*			trans	-89.1	140	-174.4	178.1	0	0	0	0	112.2
397	V	25.7	Very low	29	Very low	130 Å²	130	154.9 Å²	154.9	79%	0.788	79%	0.785	S	S	*	*			trans	-126.3	124.4	165.1	177.7	0	0	0	0	110.2	V399	V397-V399 HydrophobicContact CG1-CG2 4.04Å
398	D	30.6	Very low	29.1	Very low	146 Å²	146	159.3 Å²	159.3	78%	0.781	79%	0.789	S	S	*	*			trans	-104.7	114.5	172.7	170.3	17.2	0	0	0	110.1
399	V	28.4	Very low	29.2	Very low	107 Å²	107	155.7 Å²	155.7	65%	0.648	78%	0.779	S	S	*	*			trans	-142.2	88.9	167.2	-172.3	0	0	0	0	111.4	V397	V397-V399 HydrophobicContact CG1-CG2 4.04Å
400	K	28.6	Very low	29.7	Very low	180 Å²	180	157.9 Å²	157.9	78%	0.783	78%	0.778	S	S	*	*				22.8	135	123.7	-170	172.9	-176.7	174	0	119.8
401	E	31.2	Very low	29.5	Very low	188 Å²	188	151 Å²	151	88%	0.879	76%	0.762	S	S	*	*			trans	-48.3	142.2	179.2	-61	167.2	111.7	0	0	117.7
402	R	28.1	Very low	29.3	Very low	211 Å²	211	152.7 Å²	152.7	80%	0.796	77%	0.772	S	S	*	*			trans	-134.9	166.5	146	-56.8	-172.2	-170.3	119.5	6.2	106
403	E	29.1	Very low	29.2	Very low	168 Å²	168	151.3 Å²	151.3	79%	0.785	77%	0.766	S	S	*	*			cis	-157.3	-179.3	27.2	-136.4	135.1	-110.8	0	0	107.4
404	A	29.2	Very low	29.8	Very low	91 Å²	91	150 Å²	150	75%	0.752	77%	0.765	S	S	*	*			cis	-151.2	177.1	15.6	0	0	0	0	0	112.5
405	E	30.5	Very low	29.5	Very low	165 Å²	165	148.2 Å²	148.2	77%	0.771	76%	0.762	S	S	*	*			trans	-113.2	165.9	-177.6	-24.9	158.6	101	0	0	113.6
406	H	31.8	Very low	30.4	Very low	126 Å²	126	144.1 Å²	144.1	58%	0.583	75%	0.751	S	S	*	*				171.7	151.1	122.9	-97.9	46.4	0	0	0	108	R408	H406-R408 PolarHBondContact NE2-NH2 3.48Å
407	N	28.2	Very low	30.1	Very low	126 Å²	126	145.2 Å²	145.2	67%	0.674	76%	0.758	S	S	*	*			cis	-153.8	166.6	15.6	-103.9	-48.7	0	0	0	107.6
408	R	29.1	Very low	30.1	Very low	211 Å²	211	148.1 Å²	148.1	80%	0.796	76%	0.761	S	S	*	*			cis	-161.9	163.6	-28	-128.9	-179.5	-153.8	-155.5	2.5	107.9	H406	H406-R408 PolarHBondContact NE2-NH2 3.48Å
409	L	28.2	Very low	29.8	Very low	132 Å²	132	146.3 Å²	146.3	69%	0.691	76%	0.759	S	S	*	*			trans	-98.7	177.8	-179.6	-147	71.7	0	0	0	112.1	T411	L409-T411 VanDerWaalsContact CD2-OG1 3.22Å; L409-T411 WeakPolarHBondContact CD2-OG1 3.5Å
410	P	36.1	Very low	29.7	Very low	128 Å²	128	146.4 Å²	146.4	83%	0.831	77%	0.765	S	S	*	*				-141.2	165.5	96.1	36.5	-21.8	0	0	0	116
411	T	24.9	Very low	29.7	Very low	94 Å²	94	143.3 Å²	143.3	58%	0.577	77%	0.766	S	S	*	*			trans	-125.6	148.6	-178.6	-85.3	0	0	0	0	110.9	L409 K413	L409-T411 VanDerWaalsContact CD2-OG1 3.22Å; L409-T411 WeakPolarHBondContact CD2-OG1 3.5Å; T411-K413 HydrophobicContact CG2-CG 4.33Å
412	V	27.8	Very low	29.5	Very low	141 Å²	141	138.9 Å²	138.9	86%	0.855	76%	0.761	S	S	*	*			trans	-138.4	147.3	155.3	-174.7	0	0	0	0	110
413	K	26.8	Very low	29.4	Very low	177 Å²	177	134.8 Å²	134.8	77%	0.77	77%	0.765	S	S	*	*			trans	-139.4	-177.4	172.1	-59.1	-176.5	178	177.5	0	108.4	T411	T411-K413 HydrophobicContact CG2-CG 4.33Å
414	P	43.2	Very low	29.3	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	77%	0.769	S	S	*	*				-135.3	172.6	-76.3	41.6	-25.5	0	0	0	115.5
415	L	25.1	Very low	29.2	Very low	164 Å²	164	137.1 Å²	137.1	86%	0.859	77%	0.769	S	S	*	*			trans	76.9	172.5	151.7	-125.8	70.4	0	0	0	117.8
416	P	46.3	Very low	29.1	Very low	104 Å²	104	138.7 Å²	138.7	68%	0.675	78%	0.776	S	S	*	*				-129.7	169	-88.9	42.9	-29.7	0	0	0	117.5
417	T	22.9	Very low	28.8	Very low	151 Å²	151	137.7 Å²	137.7	93%	0.926	78%	0.783	S	S	*	*			trans	-152.9	-179.4	160.4	0.8	0	0	0	0	114
418	K	25.5	Very low	28.7	Very low	192 Å²	192	139.4 Å²	139.4	84%	0.835	79%	0.787	S	S	*	*			trans	-119.4	153.2	-160.9	-60.8	177.2	177.1	175.7	0	116.8
419	S	26.1	Very low	28.5	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	78%	0.775	S	S	*	*			trans	74.5	158.2	135.8	57.5	0	0	0	0	123.1
420	S	25.3	Very low	28.4	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	78%	0.778	S	S	*	*			trans	72.2	123.4	177.5	65.8	0	0	0	0	115.9
421	S	28.7	Very low	28	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	78%	0.777	S	S	*	*			cis	102.3	139	31.1	71.2	0	0	0	0	112
422	A	26.1	Very low	28.1	Very low	95 Å²	95	138.9 Å²	138.9	79%	0.785	79%	0.785	S	S	*	*			cis	-165	164.3	-4	0	0	0	0	0	111.3
423	S	27	Very low	28.1	Very low	126 Å²	126	137.3 Å²	137.3	88%	0.881	78%	0.78	S	S	*	*			trans	-174.3	159.4	157.1	-83.2	0	0	0	0	111.5
424	K	26.8	Very low	28.2	Very low	201 Å²	201	133.5 Å²	133.5	87%	0.874	78%	0.776	S	S	*	*				-175.5	97.6	-60.2	174.6	-170.5	173.2	-176.5	0	109.7
425	S	27.9	Very low	27.9	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	78%	0.778	S	S	*	*			trans	-174.6	115.3	161.2	35.2	0	0	0	0	108.1
426	Q	27.5	Very low	28.3	Very low	198 Å²	198	134.3 Å²	134.3	93%	0.925	77%	0.77	S	S	*	*				86.1	157.3	80.6	-84.2	-175.7	-33.5	0	0	114.2
427	S	25.3	Very low	27.6	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	78%	0.781	S	S	*	*			trans	-154	169.7	-145.9	51.9	0	0	0	0	114.2
428	E	25.6	Very low	28.3	Very low	162 Å²	162	132.6 Å²	132.6	76%	0.757	77%	0.766	S	S	*	*			trans	75.1	155.5	167.2	-59.4	-157.1	-180	0	0	118.4
429	T	25.1	Very low	29.3	Very low	87 Å²	87	130.9 Å²	130.9	53%	0.534	77%	0.765	S	S	.	*			cis	-157.8	163.6	-17.7	25.5	0	0	0	0	112.9
430	K	27.1	Very low	30.3	Very low	176 Å²	176	130.8 Å²	130.8	77%	0.765	76%	0.764	S	S	*	*			trans	72.4	161.8	153.5	-67	144.6	-166.3	148.3	0	116.8
431	K	27.1	Very low	31.4	Very low	185 Å²	185	135.3 Å²	135.3	80%	0.804	77%	0.769	S	S	*	*			cis	-154.3	164.3	14.7	-153.8	178.7	179.4	-176.2	0	112.9
432	S	27.4	Very low	31.8	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	78%	0.775	S	S	*	*			trans	66.5	146.5	164.1	22	0	0	0	0	117.6
433	S	26.9	Very low	33.1	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	78%	0.775	S	S	*	*			cis	-178.8	158	-4.7	40.8	0	0	0	0	109.2
434	S	29	Very low	33.9	Very low	98 Å²	98	137 Å²	137	69%	0.685	77%	0.774	S	S	*	*			cis	-176.5	147.1	-15.3	49.4	0	0	0	0	110.9
435	N	37.1	Very low	34.3	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	77%	0.769	S	S	*	*			trans	67.7	157.4	161.6	-60.4	26.7	0	0	0	117.5
436	E	34.3	Very low	35	Very low	151 Å²	151	136.3 Å²	136.3	71%	0.706	76%	0.762	S	S	*	*			cis	-147.6	150.7	7.9	-153	133.6	-110.7	0	0	114.5
437	C	30.2	Very low	35.6	Very low	134 Å²	134	131.9 Å²	131.9	91%	0.905	75%	0.745	S	S	*	*			trans	-141.7	114.5	149	-177	0	0	0	0	105.6
438	S	37.6	Very low	36.5	Very low	85 Å²	85	133.2 Å²	133.2	59%	0.594	75%	0.753	S	S	*	*			trans	-99.2	148.9	-163.5	50.4	0	0	0	0	114.1
439	D	47	Very low	37.1	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	75%	0.752	S	S	*	*			trans	67.9	63.2	162.9	-61.6	-21	0	0	0	119.6
440	C	46.8	Very low	37.7	Very low	105 Å²	105	136.1 Å²	136.1	71%	0.709	77%	0.769	S	S	*	*			trans	-113.7	126.8	137.9	-74.8	0	0	0	0	109.5
441	K	50.1	Low	39	Very low	205 Å²	205	133.5 Å²	133.5	89%	0.891	77%	0.769	S	S	*	*			trans	-81.6	147.9	172.2	-83.7	-174.2	176	177.9	0	111.3
442	A	36.2	Very low	39	Very low	111 Å²	111	131 Å²	131	92%	0.917	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	132.6	179.9	0	0	0	0	0	112
443	G	53.8	Low	39.4	Very low	76 Å²	76	130 Å²	130	78%	0.784	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.9	-47	176.2	0	0	0	0	0	111.6
444	E	43.2	Very low	39.6	Very low	184 Å²	184	131.8 Å²	131.8	86%	0.86	78%	0.779	S	S	*	*	S	Bend	trans	-130.9	168.2	-177.9	-67.4	-166.1	134.9	0	0	113.8	C446	E444-C446 PolarHBondContact O-N 2.75Å
445	R	36	Very low	39.7	Very low	206 Å²	206	131.2 Å²	131.2	78%	0.777	78%	0.781	S	S	*	*			trans	-79	111.1	-170.9	175.5	175.3	164.4	142.3	4.7	111.9	D447	R445-D447 IonicContact CZ-OD2 3.26Å; R445-D447 VanDerWaalsContact CZ-OD2 3.26Å; R445-D447 IonicContact NE-OD2 2.69Å; R445-D447 PolarHBondContact NE-OD2 2.86Å; R445-D447 IonicContact NH2-OD1 3.7Å; R445-D447 IonicContact NH2-OD2 2.95Å; R445-D447 PolarHBondContact NH2-OD2 2.98Å; R445-D447 PolarHBondContact O-N 3.16Å; R445-D447 VanDerWaalsContact O-N 3.13Å
446	C	41.4	Very low	39.5	Very low	87 Å²	87	130.5 Å²	130.5	59%	0.588	79%	0.787	S	S	*	*			trans	-81.9	81.9	176.9	-66.2	0	0	0	0	112.4	E444	E444-C446 PolarHBondContact O-N 2.75Å
447	D	41	Very low	39.6	Very low	104 Å²	104	135.9 Å²	135.9	56%	0.556	80%	0.8	S	S	*	*			trans	-80.5	112.9	167.5	-93.9	-55.6	0	0	0	110.7	R445 S449	R445-D447 IonicContact CZ-OD2 3.26Å; R445-D447 VanDerWaalsContact CZ-OD2 3.26Å; R445-D447 IonicContact NE-OD2 2.69Å; R445-D447 PolarHBondContact NE-OD2 2.86Å; R445-D447 IonicContact NH2-OD1 3.7Å; R445-D447 IonicContact NH2-OD2 2.95Å; R445-D447 PolarHBondContact NH2-OD2 2.98Å; R445-D447 PolarHBondContact O-N 3.16Å; R445-D447 VanDerWaalsContact O-N 3.13Å; D447-S449 PolarHBondContact O-N 3.32Å
448	C	44.3	Very low	39.6	Very low	134 Å²	134	132.6 Å²	132.6	91%	0.905	79%	0.79	S	S	*	*			trans	-78.4	60.4	-178.7	-69	0	0	0	0	112.9
449	S	37.8	Very low	39.3	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	80%	0.801	S	S	*	*			trans	-112.9	137.5	173.7	-71.8	0	0	0	0	111.9	D447	D447-S449 PolarHBondContact O-N 3.32Å
450	K	38.5	Very low	38.7	Very low	205 Å²	205	131.8 Å²	131.8	89%	0.891	80%	0.797	S	S	*	*			trans	-71.3	161.6	176.1	-55.7	174.2	-177	175.1	0	110.9
451	P	54	Low	38.2	Very low	120 Å²	120	132.4 Å²	132.4	78%	0.779	80%	0.797	S	S	*	*			cis	-125.3	170.2	-10.8	39.4	-25.7	0	0	0	113.4
452	S	27.7	Very low	37.6	Very low	133 Å²	133	129.8 Å²	129.8	93%	0.93	79%	0.793	S	S	*	*			trans	-154.8	165.3	154.7	-89.4	0	0	0	0	111.5
453	A	33.8	Very low	37.8	Very low	85 Å²	85	131.3 Å²	131.3	70%	0.702	78%	0.784	S	S	*	*			trans	-134.7	171	-163.9	0	0	0	0	0	112.4
454	V	32.2	Very low	37.2	Very low	145 Å²	145	130.2 Å²	130.2	88%	0.879	77%	0.773	S	S	*	*			trans	68.7	131.5	175.7	-145.5	0	0	0	0	111.5
455	A	31.2	Very low	37.2	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	77%	0.773	S	S	*	*			cis	-150.5	133.9	27.3	0	0	0	0	0	113.3
456	S	31.9	Very low	37.5	Very low	124 Å²	124	127.4 Å²	127.4	87%	0.867	77%	0.773	S	S	*	*			trans	-143.1	107.3	157.5	-74.9	0	0	0	0	109.1	G458	S456-G458 VanDerWaalsContact C-N 3.31Å; S456-G458 PolarHBondContact O-N 2.74Å
457	R	36.1	Very low	37.9	Very low	263 Å²	263	134.6 Å²	134.6	99%	0.992	79%	0.788	S	S	*	*			trans	-76.3	79.6	175.8	-82.4	179.5	166.6	161.6	-5.4	110.7
458	G	31.7	Very low	38.2	Very low	66 Å²	66	134.1 Å²	134.1	68%	0.68	79%	0.789	S	S	*	*			trans	-80.2	143	155.4	0	0	0	0	0	109.9	S456	S456-G458 VanDerWaalsContact C-N 3.31Å; S456-G458 PolarHBondContact O-N 2.74Å
459	A	31.8	Very low	38.6	Very low	100 Å²	100	133.7 Å²	133.7	83%	0.826	78%	0.784	S	S	*	*			trans	-65	143.9	-174.7	0	0	0	0	0	112.7	V461	A459-V461 PolarHBondContact O-N 3.4Å; A459-V461 VanDerWaalsContact O-N 3.13Å
460	V	34.1	Very low	39.4	Very low	124 Å²	124	137.2 Å²	137.2	75%	0.752	78%	0.781	S	S	*	*			trans	-70	108.4	171.5	175.7	0	0	0	0	109.3
461	V	35.7	Very low	40.6	Very low	117 Å²	117	131.3 Å²	131.3	71%	0.709	76%	0.763	S	S	*	*			trans	-121.1	102.7	143.7	-172.9	0	0	0	0	106.7	A459 I463	A459-V461 PolarHBondContact O-N 3.4Å; A459-V461 VanDerWaalsContact O-N 3.13Å; V461-I463 HydrophobicContact CG1-CG1 3.76Å; V461-I463 PolarHBondContact O-N 3.46Å
462	N	37.3	Very low	40.9	Very low	150 Å²	150	130.3 Å²	130.3	80%	0.802	75%	0.751	S	S	*	*			trans	-70.2	79	167.7	-85.4	-43.2	0	0	0	108.7	G464	N462-G464 PolarHBondContact O-N 2.79Å
463	I	40.3	Very low	43	Very low	143 Å²	143	129.9 Å²	129.9	73%	0.733	73%	0.734	S	S	*	*			trans	-69.1	82.1	156.7	-54.4	-175.3	0	0	0	105.7	V461 L465	V461-I463 HydrophobicContact CG1-CG1 3.76Å; V461-I463 PolarHBondContact O-N 3.46Å; I463-L465 PolarHBondContact O-N 3.34Å
464	G	41.4	Very low	45.1	Very low	54 Å²	54	128.7 Å²	128.7	56%	0.557	72%	0.724	S	S	*	*			trans	-54.6	111.8	169.2	0	0	0	0	0	107.1	N462 Q466	N462-G464 PolarHBondContact O-N 2.79Å; G464-Q466 VanDerWaalsContact C-N 3.33Å; G464-Q466 PolarHBondContact O-N 2.93Å
465	L	42.8	Very low	47.4	Very low	166 Å²	166	126.3 Å²	126.3	87%	0.869	71%	0.71	S	S	*	*			trans	-68.9	94.5	-167.7	-151.9	147.6	0	0	0	107.8	I463 R467	I463-L465 PolarHBondContact O-N 3.34Å; L465-R467 PolarHBondContact O-N 2.7Å; L465-R467 VanDerWaalsContact O-N 3.14Å
466	Q	41.8	Very low	49.8	Very low	165 Å²	165	131.7 Å²	131.7	77%	0.771	71%	0.712	S	S	*	*			trans	-58.2	123.4	-167.6	-72.1	-166.2	1.7	0	0	109.1	G464 T468	G464-Q466 VanDerWaalsContact C-N 3.33Å; G464-Q466 PolarHBondContact O-N 2.93Å; Q466-T468 VanDerWaalsContact C-N 3.26Å; Q466-T468 PolarHBondContact O-N 2.75Å
467	R	50.5	Low	52.4	Low	238 Å²	238	128.3 Å²	128.3	90%	0.898	69%	0.691	S	S	*	*			trans	-68.5	89.3	174.7	-169.6	-179	-166.8	122.3	0.1	107.4	L465	L465-R467 PolarHBondContact O-N 2.7Å; L465-R467 VanDerWaalsContact O-N 3.14Å
468	T	48.4	Very low	54.8	Low	93 Å²	93	118.7 Å²	118.7	57%	0.571	67%	0.668	S	S	*	*			trans	-58.7	132	-170.8	48.5	0	0	0	0	110.2	Q466 R470	Q466-T468 VanDerWaalsContact C-N 3.26Å; Q466-T468 PolarHBondContact O-N 2.75Å; T468-R470 PolarHBondContact O-N 2.55Å
469	P	52	Low	57.3	Low	125 Å²	125	118.1 Å²	118.1	81%	0.812	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	55.6	-176.4	33.8	-37.2	0	0	0	110.9
470	R	55.1	Low	60.2	Low	179 Å²	179	115.7 Å²	115.7	68%	0.675	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	0.1	-173.1	-128	175	-167.5	139.5	8.3	114	T468 D472 E473	T468-R470 PolarHBondContact O-N 2.55Å; R470-D472 VanDerWaalsContact C-N 3.26Å; R470-E473 VanDerWaalsContact CG-OE2 3.27Å; R470-E473 WeakPolarHBondContact CG-OE2 3.46Å; R470-E473 IonicContact NE-OE2 3.26Å; R470-E473 PolarHBondContact NE-OE2 2.74Å
471	T	62.7	Low	63	Low	81 Å²	81	115.2 Å²	115.2	50%	0.497	63%	0.63	S	S	.	*	H	α-helix	trans	-65.9	-32.2	171.1	45.4	0	0	0	0	112	A474 V475	T471-A474 PolarHBondContact O-N 3.02Å; T471-V475 WeakPolarHBondContact O-CG2 3.32Å; T471-V475 PolarHBondContact O-N 2.87Å
472	D	60.9	Low	65.7	Low	100 Å²	100	111.2 Å²	111.2	54%	0.535	61%	0.612	S	S	.	*	H	α-helix	trans	-74.9	-42	-167.8	-56.3	-5.4	0	0	0	110.4	R470 A474 V475 W476	R470-D472 VanDerWaalsContact C-N 3.26Å; D472-A474 VanDerWaalsContact C-N 3.27Å; D472-A474 PolarHBondContact O-N 2.84Å; D472-V475 PolarHBondContact O-N 2.83Å; D472-W476 PolarHBondContact O-N 3.1Å
473	E	72.1	Confident	68.4	Low	124 Å²	124	110.2 Å²	110.2	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-53.4	-44.3	169.2	-60.4	-178	146.3	0	0	111.4	R470 A477	R470-E473 VanDerWaalsContact CG-OE2 3.27Å; R470-E473 WeakPolarHBondContact CG-OE2 3.46Å; R470-E473 IonicContact NE-OE2 3.26Å; R470-E473 PolarHBondContact NE-OE2 2.74Å; E473-A477 WeakPolarHBondContact O-CB 3.01Å; E473-A477 PolarHBondContact O-N 3.16Å
474	A	76.7	Confident	70.9	Confident	60 Å²	60	108.3 Å²	108.3	50%	0.496	59%	0.592	S	S	.	*	H	α-helix	trans	-70.3	-36.3	179.4	0	0	0	0	0	113.1	T471 D472 A478	T471-A474 PolarHBondContact O-N 3.02Å; D472-A474 VanDerWaalsContact C-N 3.27Å; D472-A474 PolarHBondContact O-N 2.84Å; A474-A478 WeakPolarHBondContact O-CB 2.97Å; A474-A478 PolarHBondContact O-N 2.67Å
475	V	80.8	Confident	73.4	Confident	95 Å²	95	111 Å²	111	58%	0.576	59%	0.593	S	S	*	*	H	α-helix	trans	-68.6	-42.7	174.8	168.1	0	0	0	0	110.9	T471 D472 A478 A479	T471-V475 WeakPolarHBondContact O-CG2 3.32Å; T471-V475 PolarHBondContact O-N 2.87Å; D472-V475 PolarHBondContact O-N 2.83Å; V475-A478 PolarHBondContact O-N 2.9Å; V475-A479 VanDerWaalsContact O-CB 3.32Å; V475-A479 WeakPolarHBondContact O-CB 3.41Å; V475-A479 PolarHBondContact O-N 2.8Å
476	W	81.8	Confident	75.8	Confident	198 Å²	198	106.8 Å²	106.8	75%	0.75	57%	0.574	S	S	*	*	H	α-helix	trans	-63.2	-41.6	173.6	-74.5	116.3	0	0	0	112	D472 A479 A480	D472-W476 PolarHBondContact O-N 3.1Å; W476-A479 PolarHBondContact O-N 3.04Å; W476-A480 WeakPolarHBondContact O-CB 3.39Å; W476-A480 PolarHBondContact O-N 2.03Å
477	A	87.1	Confident	78.3	Confident	53 Å²	53	102.4 Å²	102.4	44%	0.438	56%	0.555	S	S	.	*	H	α-helix	trans	-62.9	-44.4	174.5	0	0	0	0	0	112.3	E473 A480 L481	E473-A477 WeakPolarHBondContact O-CB 3.01Å; E473-A477 PolarHBondContact O-N 3.16Å; A477-A480 PolarHBondContact O-N 2.85Å; A477-L481 WeakPolarHBondContact O-CG 3.24Å; A477-L481 PolarHBondContact O-N 2.92Å
478	A	86.1	Confident	80.3	Confident	61 Å²	61	95.7 Å²	95.7	50%	0.504	54%	0.537	S	S	.	.	H	α-helix	trans	-63.9	-40.9	176.1	0	0	0	0	0	112.3	A474 V475 L481 G482	A474-A478 WeakPolarHBondContact O-CB 2.97Å; A474-A478 PolarHBondContact O-N 2.67Å; V475-A478 PolarHBondContact O-N 2.9Å; A478-L481 PolarHBondContact O-N 3.14Å; A478-G482 PolarHBondContact O-N 3.42Å
479	A	84.6	Confident	82.4	Confident	54 Å²	54	95.1 Å²	95.1	45%	0.446	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.2	0	0	0	0	0	112.1	V475 W476 G482 F483	V475-A479 VanDerWaalsContact O-CB 3.32Å; V475-A479 WeakPolarHBondContact O-CB 3.41Å; V475-A479 PolarHBondContact O-N 2.8Å; W476-A479 PolarHBondContact O-N 3.04Å; A479-G482 PolarHBondContact O-N 3.07Å; A479-F483 WeakPolarHBondContact O-CB 3.38Å; A479-F483 PolarHBondContact O-N 3.36Å
480	A	92.6	Very high	84.2	Confident	50 Å²	50	93.7 Å²	93.7	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-43.6	175.8	0	0	0	0	0	112.1	W476 A477 F483 L484	W476-A480 WeakPolarHBondContact O-CB 3.39Å; W476-A480 PolarHBondContact O-N 2.03Å; A477-A480 PolarHBondContact O-N 2.85Å; A480-F483 PolarHBondContact O-N 3.04Å; A480-L484 WeakPolarHBondContact O-CB 3.45Å; A480-L484 WeakPolarHBondContact O-CG 3.36Å; A480-L484 PolarHBondContact O-N 2.77Å
481	L	91.9	Very high	85.9	Confident	114 Å²	114	88.4 Å²	88.4	60%	0.597	51%	0.509	S	S	*	.	H	α-helix	trans	-63.4	-41.2	174	-70.6	172	0	0	0	111.9	A477 A478 L484 L485	A477-L481 WeakPolarHBondContact O-CG 3.24Å; A477-L481 PolarHBondContact O-N 2.92Å; A478-L481 PolarHBondContact O-N 3.14Å; L481-L484 PolarHBondContact O-N 3.35Å; L481-L485 WeakPolarHBondContact O-CG 3.49Å; L481-L485 PolarHBondContact O-N 2.98Å
482	G	92.6	Very high	87.2	Confident	33 Å²	33	88.4 Å²	88.4	34%	0.34	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-45.6	172.9	0	0	0	0	0	112.7	A478 A479 L485 V486	A478-G482 PolarHBondContact O-N 3.42Å; A479-G482 PolarHBondContact O-N 3.07Å; G482-L485 PolarHBondContact O-N 3.37Å; G482-V486 WeakPolarHBondContact O-CG2 3.38Å; G482-V486 PolarHBondContact O-N 3.23Å
483	F	93.9	Very high	88.6	Confident	129 Å²	129	88.8 Å²	88.8	57%	0.566	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-42.2	176.5	-179.1	-110.8	0	0	0	112.3	A479 A480 L485 V486 L487	A479-F483 WeakPolarHBondContact O-CB 3.38Å; A479-F483 PolarHBondContact O-N 3.36Å; A480-F483 PolarHBondContact O-N 3.04Å; F483-L485 PolarHBondContact O-N 2.88Å; F483-V486 PolarHBondContact O-N 3.5Å; F483-L487 HydrophobicContact CD1-CD1 3.99Å; F483-L487 HydrophobicContact CD1-CG 4.44Å; F483-L487 HydrophobicContact CE1-CD1 3.45Å; F483-L487 VanDerWaalsContact CE1-CD1 3.45Å; F483-L487 HydrophobicContact CE1-CG 4.1Å; F483-L487 HydrophobicContact CE2-CD2 4.49Å; F483-L487 HydrophobicContact CE2-CG 4.33Å; F483-L487 HydrophobicContact CZ-CD1 3.75Å; F483-L487 HydrophobicContact CZ-CD2 4.24Å; F483-L487 HydrophobicContact CZ-CG 4.04Å; F483-L487 WeakPolarHBondContact O-CG 3.25Å; F483-L487 PolarHBondContact O-N 3.44Å
484	L	93.9	Very high	89.1	Confident	102 Å²	102	88.4 Å²	88.4	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-38.1	174.9	-72	171.2	0	0	0	112.3	A480 L481 L487 L488	A480-L484 WeakPolarHBondContact O-CB 3.45Å; A480-L484 WeakPolarHBondContact O-CG 3.36Å; A480-L484 PolarHBondContact O-N 2.77Å; L481-L484 PolarHBondContact O-N 3.35Å; L484-L487 PolarHBondContact O-N 2.81Å; L484-L488 WeakPolarHBondContact O-CB 3.32Å; L484-L488 PolarHBondContact O-N 2.85Å
485	L	92.7	Very high	89.2	Confident	112 Å²	112	89.1 Å²	89.1	59%	0.586	50%	0.503	S	S	*	.	H	α-helix	trans	-66.9	-37.4	173.1	-72.2	169.8	0	0	0	112.2	L481 G482 F483 L488 T489	L481-L485 WeakPolarHBondContact O-CG 3.49Å; L481-L485 PolarHBondContact O-N 2.98Å; G482-L485 PolarHBondContact O-N 3.37Å; F483-L485 PolarHBondContact O-N 2.88Å; L485-L488 PolarHBondContact O-N 2.99Å; L485-T489 WeakPolarHBondContact O-CB 3.47Å; L485-T489 WeakPolarHBondContact O-CG2 3.47Å; L485-T489 PolarHBondContact O-N 3.48Å; L485-T489 PolarHBondContact O-OG1 3.37Å
486	V	94.5	Very high	89.1	Confident	77 Å²	77	92.5 Å²	92.5	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-46.1	172.3	170.9	0	0	0	0	110.8	G482 F483 L488 T489 L490	G482-V486 WeakPolarHBondContact O-CG2 3.38Å; G482-V486 PolarHBondContact O-N 3.23Å; F483-V486 PolarHBondContact O-N 3.5Å; V486-L488 VanDerWaalsContact C-N 3.32Å; V486-L488 PolarHBondContact O-N 2.86Å; V486-T489 WeakPolarHBondContact CA-OG1 3.27Å; V486-T489 PolarHBondContact O-N 2.82Å; V486-T489 PolarHBondContact O-OG1 3.41Å; V486-L490 HydrophobicContact CG1-CD1 3.87Å; V486-L490 HydrophobicContact CG1-CG 4.38Å; V486-L490 WeakPolarHBondContact O-CB 3.31Å; V486-L490 VanDerWaalsContact O-CG 3.27Å; V486-L490 WeakPolarHBondContact O-CG 3.21Å; V486-L490 PolarHBondContact O-N 2.84Å
487	L	92.9	Very high	88.9	Confident	73 Å²	73	87.3 Å²	87.3	38%	0.382	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-36.9	175.4	-72.7	-176.8	0	0	0	112.6	F483 L484 S491	F483-L487 HydrophobicContact CD1-CD1 3.99Å; F483-L487 HydrophobicContact CD1-CG 4.44Å; F483-L487 HydrophobicContact CE1-CD1 3.45Å; F483-L487 VanDerWaalsContact CE1-CD1 3.45Å; F483-L487 HydrophobicContact CE1-CG 4.1Å; F483-L487 HydrophobicContact CE2-CD2 4.49Å; F483-L487 HydrophobicContact CE2-CG 4.33Å; F483-L487 HydrophobicContact CZ-CD1 3.75Å; F483-L487 HydrophobicContact CZ-CD2 4.24Å; F483-L487 HydrophobicContact CZ-CG 4.04Å; F483-L487 WeakPolarHBondContact O-CG 3.25Å; F483-L487 PolarHBondContact O-N 3.44Å; L484-L487 PolarHBondContact O-N 2.81Å; L487-S491 VanDerWaalsContact O-CB 3.23Å; L487-S491 WeakPolarHBondContact O-CB 3.32Å; L487-S491 PolarHBondContact O-N 3.42Å; L487-S491 PolarHBondContact O-OG 3.46Å
488	L	92.9	Very high	88.2	Confident	97 Å²	97	90.1 Å²	90.1	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-69.1	-43.6	177	-176.4	148.8	0	0	0	111.4	L484 L485 V486 S491 I492	L484-L488 WeakPolarHBondContact O-CB 3.32Å; L484-L488 PolarHBondContact O-N 2.85Å; L485-L488 PolarHBondContact O-N 2.99Å; V486-L488 VanDerWaalsContact C-N 3.32Å; V486-L488 PolarHBondContact O-N 2.86Å; L488-S491 PolarHBondContact O-N 3.37Å; L488-I492 HydrophobicContact CD2-CD1 3.61Å; L488-I492 HydrophobicContact CD2-CG1 4.46Å; L488-I492 HydrophobicContact CG-CD1 4.45Å; L488-I492 WeakPolarHBondContact O-CG1 3.28Å; L488-I492 PolarHBondContact O-N 3.27Å
489	T	92.1	Very high	87.1	Confident	81 Å²	81	96.8 Å²	96.8	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-67.1	-39.8	175.2	50.6	0	0	0	0	111.9	L485 V486 S491 I492 L493	L485-T489 WeakPolarHBondContact O-CB 3.47Å; L485-T489 WeakPolarHBondContact O-CG2 3.47Å; L485-T489 PolarHBondContact O-N 3.48Å; L485-T489 PolarHBondContact O-OG1 3.37Å; V486-T489 WeakPolarHBondContact CA-OG1 3.27Å; V486-T489 PolarHBondContact O-N 2.82Å; V486-T489 PolarHBondContact O-OG1 3.41Å; T489-S491 VanDerWaalsContact C-N 3.32Å; T489-S491 PolarHBondContact O-N 2.89Å; T489-I492 PolarHBondContact O-N 3.45Å; T489-L493 VanDerWaalsContact O-CB 3.28Å; T489-L493 WeakPolarHBondContact O-CB 3.32Å; T489-L493 PolarHBondContact O-N 3.42Å
490	L	91.1	Very high	86	Confident	94 Å²	94	100.8 Å²	100.8	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-35.2	170.6	-72.3	173.4	0	0	0	112.3	V486 L493 H494	V486-L490 HydrophobicContact CG1-CD1 3.87Å; V486-L490 HydrophobicContact CG1-CG 4.38Å; V486-L490 WeakPolarHBondContact O-CB 3.31Å; V486-L490 VanDerWaalsContact O-CG 3.27Å; V486-L490 WeakPolarHBondContact O-CG 3.21Å; V486-L490 PolarHBondContact O-N 2.84Å; L490-L493 PolarHBondContact O-N 3.38Å; L490-H494 WeakPolarHBondContact O-CA 3.37Å; L490-H494 WeakPolarHBondContact O-CB 3.49Å; L490-H494 PolarHBondContact O-N 2.9Å
491	S	89.6	Confident	84.5	Confident	69 Å²	69	108.3 Å²	108.3	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-71.2	-37.9	175.8	-63.3	0	0	0	0	112.3	L487 L488 T489 T495	L487-S491 VanDerWaalsContact O-CB 3.23Å; L487-S491 WeakPolarHBondContact O-CB 3.32Å; L487-S491 PolarHBondContact O-N 3.42Å; L487-S491 PolarHBondContact O-OG 3.46Å; L488-S491 PolarHBondContact O-N 3.37Å; T489-S491 VanDerWaalsContact C-N 3.32Å; T489-S491 PolarHBondContact O-N 2.89Å; S491-T495 WeakPolarHBondContact O-CB 3.34Å; S491-T495 WeakPolarHBondContact O-CG2 3.39Å; S491-T495 PolarHBondContact O-N 3.27Å; S491-T495 PolarHBondContact O-OG1 2.95Å
492	I	90.4	Very high	82.5	Confident	81 Å²	81	110.5 Å²	110.5	42%	0.415	53%	0.531	S	S	.	.	H	α-helix	trans	-68.5	-42.2	172.6	-69.2	173.7	0	0	0	110.5	L488 T489 T495 R496	L488-I492 HydrophobicContact CD2-CD1 3.61Å; L488-I492 HydrophobicContact CD2-CG1 4.46Å; L488-I492 HydrophobicContact CG-CD1 4.45Å; L488-I492 WeakPolarHBondContact O-CG1 3.28Å; L488-I492 PolarHBondContact O-N 3.27Å; T489-I492 PolarHBondContact O-N 3.45Å; I492-T495 WeakPolarHBondContact CA-OG1 3.49Å; I492-T495 PolarHBondContact O-OG1 2.93Å; I492-R496 WeakPolarHBondContact O-CB 3.46Å; I492-R496 VanDerWaalsContact O-CG 3.25Å; I492-R496 WeakPolarHBondContact O-CG 3.34Å; I492-R496 PolarHBondContact O-N 3.23Å
493	L	90.3	Very high	80.4	Confident	107 Å²	107	113.8 Å²	113.8	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-64.9	-46.1	176	-177.4	61.6	0	0	0	111	T489 L490 R496 L497	T489-L493 VanDerWaalsContact O-CB 3.28Å; T489-L493 WeakPolarHBondContact O-CB 3.32Å; T489-L493 PolarHBondContact O-N 3.42Å; L490-L493 PolarHBondContact O-N 3.38Å; L493-R496 PolarHBondContact O-N 2.91Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 PolarHBondContact O-N 3.48Å
494	H	82.8	Confident	78.4	Confident	117 Å²	117	112.9 Å²	112.9	54%	0.542	55%	0.55	S	S	.	.	H	α-helix	trans	-63	-45	176.4	179.6	-108.2	0	0	0	111.4	L490 R496 L497 Y498	L490-H494 WeakPolarHBondContact O-CA 3.37Å; L490-H494 WeakPolarHBondContact O-CB 3.49Å; L490-H494 PolarHBondContact O-N 2.9Å; H494-R496 PolarHBondContact O-N 3.28Å; H494-L497 PolarHBondContact O-N 2.98Å; H494-Y498 WeakPolarHBondContact O-CA 3.35Å; H494-Y498 WeakPolarHBondContact O-CB 3.42Å; H494-Y498 PolarHBondContact O-N 3.46Å
495	T	78.4	Confident	76.3	Confident	75 Å²	75	111.6 Å²	111.6	46%	0.46	55%	0.548	S	S	.	.	H	α-helix	trans	-67.5	-33	176.8	50.3	0	0	0	0	113	S491 I492 R499	S491-T495 WeakPolarHBondContact O-CB 3.34Å; S491-T495 WeakPolarHBondContact O-CG2 3.39Å; S491-T495 PolarHBondContact O-N 3.27Å; S491-T495 PolarHBondContact O-OG1 2.95Å; I492-T495 WeakPolarHBondContact CA-OG1 3.49Å; I492-T495 PolarHBondContact O-OG1 2.93Å; T495-R499 WeakPolarHBondContact O-CB 3.41Å; T495-R499 VanDerWaalsContact O-CG 3.25Å; T495-R499 WeakPolarHBondContact O-CG 3.44Å; T495-R499 PolarHBondContact O-N 2.89Å
496	R	78.4	Confident	74.3	Confident	165 Å²	165	109.4 Å²	109.4	62%	0.623	54%	0.542	S	S	*	.	H	α-helix	trans	-68.9	-47.4	171.5	-74.6	177.1	178.8	-151.8	0	112	I492 L493 H494 R499 H500	I492-R496 WeakPolarHBondContact O-CB 3.46Å; I492-R496 VanDerWaalsContact O-CG 3.25Å; I492-R496 WeakPolarHBondContact O-CG 3.34Å; I492-R496 PolarHBondContact O-N 3.23Å; L493-R496 PolarHBondContact O-N 2.91Å; H494-R496 PolarHBondContact O-N 3.28Å; R496-R499 PolarHBondContact O-N 3.36Å; R496-H500 WeakPolarHBondContact O-CB 3.36Å; R496-H500 PolarHBondContact O-N 3.4Å
497	L	78.3	Confident	72.2	Confident	90 Å²	90	113.1 Å²	113.1	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-65.5	-42.3	178.8	-165.9	72	0	0	0	111	L493 H494 H500 W501	L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 PolarHBondContact O-N 3.48Å; H494-L497 PolarHBondContact O-N 2.98Å; L497-H500 WeakPolarHBondContact O-CB 3.39Å; L497-H500 PolarHBondContact O-N 3.32Å; L497-H500 VanDerWaalsContact O-N 3.14Å; L497-W501 WeakPolarHBondContact O-CB 3.48Å; L497-W501 PolarHBondContact O-N 3.33Å
498	Y	72.1	Confident	70.1	Confident	111 Å²	111	119.5 Å²	119.5	44%	0.435	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-42.1	173.8	-174.1	-83.6	0	0	0	111.6	H494 H500 R502	H494-Y498 WeakPolarHBondContact O-CA 3.35Å; H494-Y498 WeakPolarHBondContact O-CB 3.42Å; H494-Y498 PolarHBondContact O-N 3.46Å; Y498-H500 VanDerWaalsContact C-N 3.31Å; Y498-H500 PolarHBondContact O-N 2.86Å; Y498-R502 HydrophobicContact CE1-CB 4.45Å; Y498-R502 WeakPolarHBondContact O-CA 3.37Å; Y498-R502 WeakPolarHBondContact O-CB 3.34Å; Y498-R502 PolarHBondContact O-N 2.93Å; Y498-R502 PolarHBondContact OH-NH1 3.17Å
499	R	63.8	Low	68	Low	201 Å²	201	124.8 Å²	124.8	76%	0.758	59%	0.592	S	S	*	*	H	α-helix	trans	-62.5	-37.1	171.5	-80.5	179.3	-179.5	-159.6	1.8	112.3	T495 R496 T503	T495-R499 WeakPolarHBondContact O-CB 3.41Å; T495-R499 VanDerWaalsContact O-CG 3.25Å; T495-R499 WeakPolarHBondContact O-CG 3.44Å; T495-R499 PolarHBondContact O-N 2.89Å; R496-R499 PolarHBondContact O-N 3.36Å; R499-T503 WeakPolarHBondContact O-CG2 3.32Å
500	H	61.7	Low	65.8	Low	138 Å²	138	131.4 Å²	131.4	64%	0.639	61%	0.608	S	S	*	*	H	α-helix	trans	-71.9	-43	179.5	-169.6	71.3	0	0	0	112.3	R496 L497 Y498 T503	R496-H500 WeakPolarHBondContact O-CB 3.36Å; R496-H500 PolarHBondContact O-N 3.4Å; L497-H500 WeakPolarHBondContact O-CB 3.39Å; L497-H500 PolarHBondContact O-N 3.32Å; L497-H500 VanDerWaalsContact O-N 3.14Å; Y498-H500 VanDerWaalsContact C-N 3.31Å; Y498-H500 PolarHBondContact O-N 2.86Å; H500-T503 PolarHBondContact O-OG1 3.06Å; H500-T503 VanDerWaalsContact O-OG1 3.12Å
501	W	61	Low	63.8	Low	209 Å²	209	130.6 Å²	130.6	79%	0.792	60%	0.604	S	S	*	*	H	α-helix	trans	-86.6	-21.5	-177.9	-73.1	61.9	0	0	0	114	L497	L497-W501 WeakPolarHBondContact O-CB 3.48Å; L497-W501 PolarHBondContact O-N 3.33Å
502	R	49.9	Very low	62	Low	159 Å²	159	132.6 Å²	132.6	60%	0.6	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	54.7	164.7	-76.3	-165	174.7	-169.1	-4.7	111.8	Y498 T504	Y498-R502 HydrophobicContact CE1-CB 4.45Å; Y498-R502 WeakPolarHBondContact O-CA 3.37Å; Y498-R502 WeakPolarHBondContact O-CB 3.34Å; Y498-R502 PolarHBondContact O-N 2.93Å; Y498-R502 PolarHBondContact OH-NH1 3.17Å; R502-T504 PolarHBondContact O-N 2.82Å; R502-T504 VanDerWaalsContact O-N 3.08Å
503	T	48.3	Very low	60.2	Low	102 Å²	102	135.6 Å²	135.6	63%	0.626	63%	0.627	S	S	*	*			trans	-76.3	39	156.9	41	0	0	0	0	112.1	R499 H500 P505	R499-T503 WeakPolarHBondContact O-CG2 3.32Å; H500-T503 PolarHBondContact O-OG1 3.06Å; H500-T503 VanDerWaalsContact O-OG1 3.12Å; T503-P505 WeakPolarHBondContact O-CD 3.41Å
504	T	51.3	Low	58.2	Low	110 Å²	110	135.7 Å²	135.7	68%	0.675	63%	0.625	S	S	*	*			trans	-65.1	116.3	158.8	47.8	0	0	0	0	107.1	R502 S506	R502-T504 PolarHBondContact O-N 2.82Å; R502-T504 VanDerWaalsContact O-N 3.08Å; T504-S506 PolarHBondContact O-N 3.4Å
505	P	50.3	Low	56.8	Low	76 Å²	76	133 Å²	133	49%	0.494	61%	0.614	S	S	.	*			trans	-60.7	126.6	-172.4	24	-34.2	0	0	0	110.1	T503 L507 Y516	T503-P505 WeakPolarHBondContact O-CD 3.41Å; P505-L507 PolarHBondContact O-N 2.9Å; P505-Y516 HydrophobicContact CB-CD2 4.45Å; P505-Y516 HydrophobicContact CB-CE1 4.12Å; P505-Y516 HydrophobicContact CB-CE2 3.93Å; P505-Y516 HydrophobicContact CG-CD1 4.41Å; P505-Y516 HydrophobicContact CG-CE1 3.81Å
506	S	50.8	Low	55.6	Low	65 Å²	65	136 Å²	136	46%	0.455	62%	0.618	S	S	.	*			trans	-63.2	108.9	177.5	46.3	0	0	0	0	109.6	T504 Y508 W509	T504-S506 PolarHBondContact O-N 3.4Å; S506-Y508 PolarHBondContact O-N 3.32Å; S506-W509 PolarHBondContact O-N 2.91Å; S506-W509 PolarHBondContact OG-O 2.87Å
507	L	49	Very low	54.3	Low	156 Å²	156	131.1 Å²	131.1	82%	0.817	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-22.8	-172.4	-159.7	76.4	0	0	0	114.5	P505	P505-L507 PolarHBondContact O-N 2.9Å
508	Y	50	Low	53.5	Low	206 Å²	206	129.1 Å²	129.1	81%	0.808	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-24.2	-177.8	-75.1	-87.9	0	0	0	115.3	S506	S506-Y508 PolarHBondContact O-N 3.32Å
509	W	47.6	Very low	52.7	Low	208 Å²	208	128.6 Å²	128.6	79%	0.788	61%	0.606	S	S	*	*			trans	-105.6	117.5	-177.6	-50.5	118.8	0	0	0	110.5	S506	S506-W509 PolarHBondContact O-N 2.91Å; S506-W509 PolarHBondContact OG-O 2.87Å
510	R	46	Very low	52.4	Low	221 Å²	221	121.2 Å²	121.2	83%	0.834	59%	0.588	S	S	*	*			trans	-87.1	116.9	176.6	-176.7	-162.8	-66.1	-175.2	-0.1	109.8
511	D	49.1	Very low	52.5	Low	77 Å²	77	117.7 Å²	117.7	41%	0.412	57%	0.574	S	S	.	*			trans	-72.7	124.8	160.9	-172.6	-28.3	0	0	0	109.2	H513 Q514	D511-H513 PolarHBondContact O-N 3.41Å; D511-H513 WeakPolarHBondContact OD1-CB 3.36Å; D511-H513 IonicContact OD1-CD2 3.36Å; D511-H513 PolarHBondContact OD1-N 2.9Å; D511-Q514 HydrophobicContact CB-CB 4.33Å
512	P	51.9	Low	52.8	Low	111 Å²	111	110 Å²	110	72%	0.721	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-19.5	175.8	-23.1	34.7	0	0	0	115
513	H	53.4	Low	53.6	Low	144 Å²	144	106.5 Å²	106.5	67%	0.667	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-10.6	-170.8	-60.6	-83.4	0	0	0	114.5	R208 D511	R208-H513 PolarHBondContact NH2-O 3.38Å; R208-H513 VanDerWaalsContact NH2-O 3.07Å; D511-H513 PolarHBondContact O-N 3.41Å; D511-H513 WeakPolarHBondContact OD1-CB 3.36Å; D511-H513 IonicContact OD1-CD2 3.36Å; D511-H513 PolarHBondContact OD1-N 2.9Å
514	Q	48.4	Very low	54.3	Low	109 Å²	109	108 Å²	108	51%	0.509	54%	0.537	S	S	.	.	S	Bend	trans	-109.1	139.5	-178.7	-67.3	-158.2	-3.6	0	0	114.8	D511 Y516	D511-Q514 HydrophobicContact CB-CB 4.33Å; Q514-Y516 HydrophobicContact CB-CD2 4.29Å; Q514-Y516 HydrophobicContact CB-CE2 4.07Å; Q514-Y516 PolarHBondContact O-N 2.95Å; Q514-Y516 VanDerWaalsContact O-N 3.15Å
515	D	54.1	Low	55	Low	59 Å²	59	106.2 Å²	106.2	32%	0.316	52%	0.517	S	S	.	.			trans	-92.9	38.5	-155.4	-97.9	-63	0	0	0	116.8	K39 R208 D517	K39-D515 WeakPolarHBondContact CD-OD1 3.34Å; K39-D515 VanDerWaalsContact CE-OD1 3.24Å; K39-D515 WeakPolarHBondContact CE-OD1 3.27Å; K39-D515 PolarHBondContact NZ-O 3.49Å; K39-D515 IonicContact NZ-OD1 3.76Å; K39-D515 PolarHBondContact NZ-OD1 2.96Å; R208-D515 IonicContact CZ-OD2 3.01Å; R208-D515 IonicContact NE-OD2 3.11Å; R208-D515 PolarHBondContact NE-OD2 3.31Å; R208-D515 IonicContact NH2-OD2 3.73Å; R208-D515 PolarHBondContact NH2-OD2 2.91Å; D515-D517 PolarHBondContact O-N 2.87Å
516	Y	52.5	Low	55.5	Low	139 Å²	139	111.3 Å²	111.3	55%	0.545	53%	0.527	S	S	.	.			trans	-66.7	128	176.4	-63.6	-78.2	0	0	0	112.3	P505 Q514 S518	P505-Y516 HydrophobicContact CB-CD2 4.45Å; P505-Y516 HydrophobicContact CB-CE1 4.12Å; P505-Y516 HydrophobicContact CB-CE2 3.93Å; P505-Y516 HydrophobicContact CG-CD1 4.41Å; P505-Y516 HydrophobicContact CG-CE1 3.81Å; Q514-Y516 HydrophobicContact CB-CD2 4.29Å; Q514-Y516 HydrophobicContact CB-CE2 4.07Å; Q514-Y516 PolarHBondContact O-N 2.95Å; Q514-Y516 VanDerWaalsContact O-N 3.15Å; Y516-S518 PolarHBondContact O-N 2.92Å
517	D	51.7	Low	56.1	Low	63 Å²	63	113.1 Å²	113.1	34%	0.337	53%	0.531	S	S	.	.			trans	-66.4	113.3	169.1	-90.4	5.3	0	0	0	109.2	K39 D515 V522 R525	K39-D517 IonicContact NZ-OD1 3.87Å; D515-D517 PolarHBondContact O-N 2.87Å; D517-V522 HydrophobicContact CB-CG2 4.08Å; D517-R525 IonicContact OD2-CZ 3.48Å; D517-R525 IonicContact OD2-NH1 2.68Å; D517-R525 PolarHBondContact OD2-NH1 3.2Å; D517-R525 IonicContact OD2-NH2 2.88Å
518	S	60.9	Low	56.6	Low	47 Å²	47	111.8 Å²	111.8	33%	0.329	52%	0.515	S	S	.	.			trans	-57.1	146.7	-179.3	-175.6	0	0	0	0	111.3	Y516 A520 D521 V522	Y516-S518 PolarHBondContact O-N 2.92Å; S518-A520 PolarHBondContact O-N 3.34Å; S518-A520 VanDerWaalsContact O-N 3.15Å; S518-A520 PolarHBondContact OG-N 3.24Å; S518-D521 WeakPolarHBondContact CB-OD2 3.33Å; S518-D521 CarbonylContact O-C 3.57Å; S518-D521 WeakPolarHBondContact O-CA 3.27Å; S518-D521 PolarHBondContact O-N 2.87Å; S518-V522 PolarHBondContact O-N 3.2Å
519	V	55.8	Low	56.8	Low	100 Å²	100	105.3 Å²	105.3	61%	0.606	49%	0.493	S	S	*	.	H	α-helix	trans	-53	-36.1	169.9	179.3	0	0	0	0	110.7	D521 I523	V519-D521 VanDerWaalsContact C-N 3.33Å; V519-D521 PolarHBondContact O-N 3.37Å; V519-I523 HydrophobicContact CG1-CD1 3.81Å; V519-I523 HydrophobicContact CG1-CG1 4.41Å; V519-I523 VanDerWaalsContact O-CB 3.28Å; V519-I523 WeakPolarHBondContact O-CB 3.45Å; V519-I523 WeakPolarHBondContact O-CG1 3.48Å; V519-I523 PolarHBondContact O-N 2.85Å
520	A	57.8	Low	56.9	Low	47 Å²	47	98 Å²	98	39%	0.388	48%	0.478	S	S	.	.	H	α-helix	trans	-61.9	-37.4	173.3	0	0	0	0	0	112.7	S518 R524	S518-A520 PolarHBondContact O-N 3.34Å; S518-A520 VanDerWaalsContact O-N 3.15Å; S518-A520 PolarHBondContact OG-N 3.24Å; A520-R524 WeakPolarHBondContact O-CB 3.46Å; A520-R524 VanDerWaalsContact O-CG 3.24Å; A520-R524 WeakPolarHBondContact O-CG 3.4Å; A520-R524 PolarHBondContact O-N 3.45Å
521	D	63.1	Low	56.9	Low	63 Å²	63	96.8 Å²	96.8	34%	0.337	48%	0.479	S	S	.	.	H	α-helix	trans	-81.2	-35.8	180	-68	-51.4	0	0	0	113.1	S518 V519 I523 R524 R525	S518-D521 WeakPolarHBondContact CB-OD2 3.33Å; S518-D521 CarbonylContact O-C 3.57Å; S518-D521 WeakPolarHBondContact O-CA 3.27Å; S518-D521 PolarHBondContact O-N 2.87Å; V519-D521 VanDerWaalsContact C-N 3.33Å; V519-D521 PolarHBondContact O-N 3.37Å; D521-I523 VanDerWaalsContact C-N 3.29Å; D521-I523 PolarHBondContact O-N 2.91Å; D521-R524 PolarHBondContact O-N 2.86Å; D521-R524 IonicContact OD1-CZ 3.74Å; D521-R524 IonicContact OD1-NE 3.17Å; D521-R524 PolarHBondContact OD1-NE 3.44Å; D521-R524 IonicContact OD1-NH2 3.87Å; D521-R524 PolarHBondContact OD1-NH2 3.46Å; D521-R524 IonicContact OD2-NH2 2.82Å; D521-R524 PolarHBondContact OD2-NH2 3Å; D521-R525 WeakPolarHBondContact O-CB 3.32Å; D521-R525 PolarHBondContact O-N 2.98Å
522	V	66.9	Low	56.9	Low	48 Å²	48	100.1 Å²	100.1	29%	0.291	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-41.4	167.3	178.8	0	0	0	0	110.3	D517 S518 R526	D517-V522 HydrophobicContact CB-CG2 4.08Å; S518-V522 PolarHBondContact O-N 3.2Å; V522-R526 VanDerWaalsContact O-CB 3.29Å; V522-R526 WeakPolarHBondContact O-CB 3.33Å; V522-R526 WeakPolarHBondContact O-CG 3.41Å; V522-R526 PolarHBondContact O-N 2.78Å
523	I	65.9	Low	56.4	Low	85 Å²	85	103.9 Å²	103.9	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-48.9	173.6	-72.7	170	0	0	0	110.9	V519 D521 R525 R526 L527	V519-I523 HydrophobicContact CG1-CD1 3.81Å; V519-I523 HydrophobicContact CG1-CG1 4.41Å; V519-I523 VanDerWaalsContact O-CB 3.28Å; V519-I523 WeakPolarHBondContact O-CB 3.45Å; V519-I523 WeakPolarHBondContact O-CG1 3.48Å; V519-I523 PolarHBondContact O-N 2.85Å; D521-I523 VanDerWaalsContact C-N 3.29Å; D521-I523 PolarHBondContact O-N 2.91Å; I523-R525 PolarHBondContact O-N 3.35Å; I523-R526 PolarHBondContact O-N 3.38Å; I523-L527 HydrophobicContact CG2-CD1 3.58Å; I523-L527 HydrophobicContact CG2-CG 4.07Å; I523-L527 WeakPolarHBondContact O-CB 3.34Å; I523-L527 VanDerWaalsContact O-CG 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.39Å; I523-L527 PolarHBondContact O-N 3.14Å
524	R	63	Low	56.2	Low	134 Å²	134	102.6 Å²	102.6	51%	0.506	49%	0.49	S	S	.	.	H	α-helix	trans	-57.7	-44.7	177.1	-77	-173.1	-77.2	-143.4	5.5	111.6	A520 D521 L527 R528	A520-R524 WeakPolarHBondContact O-CB 3.46Å; A520-R524 VanDerWaalsContact O-CG 3.24Å; A520-R524 WeakPolarHBondContact O-CG 3.4Å; A520-R524 PolarHBondContact O-N 3.45Å; D521-R524 PolarHBondContact O-N 2.86Å; D521-R524 IonicContact OD1-CZ 3.74Å; D521-R524 IonicContact OD1-NE 3.17Å; D521-R524 PolarHBondContact OD1-NE 3.44Å; D521-R524 IonicContact OD1-NH2 3.87Å; D521-R524 PolarHBondContact OD1-NH2 3.46Å; D521-R524 IonicContact OD2-NH2 2.82Å; D521-R524 PolarHBondContact OD2-NH2 3Å; R524-L527 PolarHBondContact O-N 2.72Å; R524-R528 VanDerWaalsContact O-CG 3.32Å; R524-R528 WeakPolarHBondContact O-CG 3.44Å; R524-R528 PolarHBondContact O-N 2.79Å
525	R	67	Low	55.8	Low	72 Å²	72	107.8 Å²	107.8	27%	0.272	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-48.7	175	-171.2	-177.1	-90.6	138.2	-10.8	110.9	N211 D517 D521 I523 R528 I529	N211-R525 PolarHBondContact O-NH2 3.16Å; N211-R525 PolarHBondContact OD1-NH2 3.02Å; D517-R525 IonicContact OD2-CZ 3.48Å; D517-R525 IonicContact OD2-NH1 2.68Å; D517-R525 PolarHBondContact OD2-NH1 3.2Å; D517-R525 IonicContact OD2-NH2 2.88Å; D521-R525 WeakPolarHBondContact O-CB 3.32Å; D521-R525 PolarHBondContact O-N 2.98Å; I523-R525 PolarHBondContact O-N 3.35Å; R525-R528 PolarHBondContact O-N 3.38Å; R525-I529 HydrophobicContact CG-CD1 4.18Å; R525-I529 WeakPolarHBondContact O-CD1 3.4Å; R525-I529 VanDerWaalsContact O-CG1 3.3Å; R525-I529 WeakPolarHBondContact O-CG1 3.3Å; R525-I529 PolarHBondContact O-N 2.83Å; R525-I529 VanDerWaalsContact O-N 3.11Å
526	R	61.6	Low	55.2	Low	184 Å²	184	116.5 Å²	116.5	69%	0.694	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-39.2	177.8	-74.5	177	-176.1	-139.5	1.5	113.2	V522 I523 I529 A530	V522-R526 VanDerWaalsContact O-CB 3.29Å; V522-R526 WeakPolarHBondContact O-CB 3.33Å; V522-R526 WeakPolarHBondContact O-CG 3.41Å; V522-R526 PolarHBondContact O-N 2.78Å; I523-R526 PolarHBondContact O-N 3.38Å; R526-I529 PolarHBondContact O-N 2.97Å; R526-A530 WeakPolarHBondContact O-CB 3.45Å; R526-A530 PolarHBondContact O-N 3.29Å
527	L	62.4	Low	54.7	Low	103 Å²	103	113 Å²	113	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-69.1	-40.6	177.9	-72.3	174.9	0	0	0	112.3	I523 R524 I529 A530 K531	I523-L527 HydrophobicContact CG2-CD1 3.58Å; I523-L527 HydrophobicContact CG2-CG 4.07Å; I523-L527 WeakPolarHBondContact O-CB 3.34Å; I523-L527 VanDerWaalsContact O-CG 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.39Å; I523-L527 PolarHBondContact O-N 3.14Å; R524-L527 PolarHBondContact O-N 2.72Å; L527-I529 VanDerWaalsContact C-N 3.33Å; L527-I529 PolarHBondContact O-N 2.96Å; L527-A530 PolarHBondContact O-N 2.84Å; L527-K531 PolarHBondContact O-N 3.14Å
528	R	58.7	Low	54.3	Low	128 Å²	128	121.9 Å²	121.9	48%	0.483	57%	0.574	S	S	.	*	H	α-helix	trans	-60.2	-42.3	172.2	-71.9	177.5	-169.4	177.8	5.1	111.5	R524 R525	R524-R528 VanDerWaalsContact O-CG 3.32Å; R524-R528 WeakPolarHBondContact O-CG 3.44Å; R524-R528 PolarHBondContact O-N 2.79Å; R525-R528 PolarHBondContact O-N 3.38Å
529	I	54.4	Low	53.2	Low	69 Å²	69	131.2 Å²	131.2	35%	0.354	60%	0.602	S	S	.	*	H	α-helix	trans	-67.3	-39.5	175.5	-66.4	165	0	0	0	111.4	R525 R526 L527 R532	R525-I529 HydrophobicContact CG-CD1 4.18Å; R525-I529 WeakPolarHBondContact O-CD1 3.4Å; R525-I529 VanDerWaalsContact O-CG1 3.3Å; R525-I529 WeakPolarHBondContact O-CG1 3.3Å; R525-I529 PolarHBondContact O-N 2.83Å; R525-I529 VanDerWaalsContact O-N 3.11Å; R526-I529 PolarHBondContact O-N 2.97Å; L527-I529 VanDerWaalsContact C-N 3.33Å; L527-I529 PolarHBondContact O-N 2.96Å; I529-R532 PolarHBondContact O-N 2.84Å; I529-R532 VanDerWaalsContact O-N 3.17Å
530	A	50.8	Low	52.5	Low	56 Å²	56	136 Å²	136	46%	0.463	61%	0.614	S	S	.	*	H	α-helix	trans	-63.2	-41.4	178.2	0	0	0	0	0	112.4	R526 L527 R532 R533	R526-A530 WeakPolarHBondContact O-CB 3.45Å; R526-A530 PolarHBondContact O-N 3.29Å; L527-A530 PolarHBondContact O-N 2.84Å; A530-R532 PolarHBondContact O-N 2.99Å; A530-R533 PolarHBondContact O-N 3.45Å; A530-R533 VanDerWaalsContact O-N 3.13Å
531	K	46.4	Very low	51.3	Low	195 Å²	195	138.3 Å²	138.3	85%	0.848	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-12.6	175.1	-74.9	-170.6	176.3	-171	0	114.3	L527	L527-K531 PolarHBondContact O-N 3.14Å
532	R	48.6	Very low	49.7	Very low	146 Å²	146	141.1 Å²	141.1	55%	0.551	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	8.1	176.4	-66.3	-165.9	178.4	-165.2	1.7	115	V51 I529 A530 P534	V51-R532 PolarHBondContact O-NH2 3.13Å; I529-R532 PolarHBondContact O-N 2.84Å; I529-R532 VanDerWaalsContact O-N 3.17Å; A530-R532 PolarHBondContact O-N 2.99Å; R532-P534 WeakPolarHBondContact O-CD 3.22Å
533	R	41.1	Very low	48.2	Very low	190 Å²	190	145.6 Å²	145.6	72%	0.717	68%	0.684	S	S	*	*			trans	-98.8	116.3	172.4	-76.8	-174.9	174	176.6	0.1	111.1	A530 K535	A530-R533 PolarHBondContact O-N 3.45Å; A530-R533 VanDerWaalsContact O-N 3.13Å; R533-K535 PolarHBondContact O-N 2.97Å
534	P	48.5	Very low	46.7	Very low	117 Å²	117	148.9 Å²	148.9	76%	0.76	70%	0.701	S	S	*	*			trans	-51.4	140.8	154	-21.8	33.3	0	0	0	109	R532 R536	R532-P534 WeakPolarHBondContact O-CD 3.22Å; P534-R536 VanDerWaalsContact C-N 3.31Å; P534-R536 PolarHBondContact O-N 2.86Å
535	K	39.9	Very low	45.3	Very low	218 Å²	218	150.1 Å²	150.1	95%	0.948	72%	0.717	S	S	*	*			trans	-63	83.9	-172.6	-75.7	-177.4	177.1	174.9	0	112.2	R533 G537	R533-K535 PolarHBondContact O-N 2.97Å; K535-G537 PolarHBondContact O-N 3.43Å
536	R	41.6	Very low	44.2	Very low	242 Å²	242	152 Å²	152	91%	0.913	74%	0.739	S	S	*	*			trans	-64.7	114.8	173.9	-162.6	178	-165.1	-171.7	5.2	108.3	P534 R538	P534-R536 VanDerWaalsContact C-N 3.31Å; P534-R536 PolarHBondContact O-N 2.86Å; R536-R538 PolarHBondContact O-N 3.13Å
537	G	42.8	Very low	42.6	Very low	65 Å²	65	149.4 Å²	149.4	67%	0.67	75%	0.749	S	S	*	*			trans	-52	130.6	-172.3	0	0	0	0	0	113.1	K535 R539	K535-G537 PolarHBondContact O-N 3.43Å; G537-R539 PolarHBondContact O-N 2.95Å
538	R	42.6	Very low	41.2	Very low	251 Å²	251	150.2 Å²	150.2	95%	0.947	76%	0.763	S	S	*	*			trans	-62.8	97.6	-179.5	-170	179.2	-172.1	179.6	1.9	109.6	R536	R536-R538 PolarHBondContact O-N 3.13Å
539	R	38.6	Very low	39.9	Very low	242 Å²	242	150 Å²	150	91%	0.913	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.1	137.3	166.3	-77.5	-173.4	171.9	-177.8	-3.8	108.1	G537	G537-R539 PolarHBondContact O-N 2.95Å
540	K	40.4	Very low	39	Very low	201 Å²	201	151.5 Å²	151.5	87%	0.874	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.7	151.3	169.6	-68	-172.5	173	-168.8	0	109.1
541	A	34.1	Very low	38.2	Very low	96 Å²	96	154.2 Å²	154.2	79%	0.793	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68	149.5	165	0	0	0	0	0	109.7
542	C	29.4	Very low	37.6	Very low	122 Å²	122	151 Å²	151	82%	0.824	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-78.7	130.5	164.4	-59.7	0	0	0	0	108.3
543	V	34.9	Very low	36.9	Very low	141 Å²	141	152.5 Å²	152.5	86%	0.855	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-78.1	144.7	159.4	178.3	0	0	0	0	107
544	L	33.7	Very low	36.7	Very low	154 Å²	154	151.1 Å²	151.1	81%	0.806	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-98.2	152	176.9	-76.8	172.2	0	0	0	111.2
545	L	34.7	Very low	36.7	Very low	161 Å²	161	155 Å²	155	84%	0.843	85%	0.851	S	S	*	*			trans	70.1	138.8	175.5	-54.8	-179.9	0	0	0	116.8
546	P	43.1	Very low	36.5	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	85%	0.846	S	S	*	*			trans	-89.5	158	167.1	37.3	-32.8	0	0	0	111.2
547	S	28.6	Very low	36.2	Very low	128 Å²	128	147.1 Å²	147.1	90%	0.895	84%	0.843	S	S	*	*			trans	-115.9	119.7	155.2	-63.4	0	0	0	0	107.8
548	S	33.2	Very low	35.9	Very low	121 Å²	121	151.7 Å²	151.7	85%	0.846	85%	0.852	S	S	*	*			trans	-73.5	146.9	177.2	-51.6	0	0	0	0	111.1
549	S	31.7	Very low	35.5	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	85%	0.847	S	S	*	*			trans	-148.1	118.6	146.6	-166.1	0	0	0	0	106.7
550	S	34.9	Very low	35.3	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	84%	0.842	S	S	*	*			trans	-90.6	148.9	171.4	-136.8	0	0	0	0	108.1	D552	S550-D552 PolarHBondContact OG-OD2 2.69Å
551	S	32.8	Very low	34.9	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	84%	0.84	S	S	*	*			trans	-141.2	90.8	169	58.9	0	0	0	0	107.4
552	D	34.7	Very low	35	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	84%	0.844	S	S	*	*			trans	-117.6	178.9	167.2	-64.3	-74.8	0	0	0	107.2	S550	S550-D552 PolarHBondContact OG-OD2 2.69Å
553	E	34.5	Very low	35.4	Very low	177 Å²	177	139.8 Å²	139.8	83%	0.827	85%	0.845	S	S	*	*			trans	72.7	74.8	-172	-42.8	-54.5	87.1	0	0	115.6
554	D	36	Very low	35.5	Very low	161 Å²	161	139.8 Å²	139.8	86%	0.861	84%	0.844	S	S	*	*			trans	-72.1	157.2	133.3	-66.1	-62.5	0	0	0	108.8
555	P	47.8	Very low	35.6	Very low	198 Å²	198	138.5 Å²	138.5	100%	1.286	85%	0.848	S	S	*	*			cis	-121.7	0	-18	39.7	-26.5	0	0	0	114.6

Retrieved 555 of 555 residues in 896.3 ms (Link to these results)

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