A0A077Z1Y7_TRITR Loading...

Kunitz:Bovine pancreatic trypsin

AlphaFold DB , UniProt , Accession A0A077Z1Y7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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	59.4	Low	65	Low	234 Å²	234	136.5 Å²	136.5	100%	1.153	69%	0.69	S	S	*	*				0	7.5	0	-89.4	173.2	155.4	0	0	115.2
2	Y	58.1	Low	66	Low	219 Å²	219	131 Å²	131	86%	0.859	67%	0.674	S	S	*	*			trans	-88.2	-12.7	179.6	-88.3	-87.8	0	0	0	115.8	S4	Y2-S4 VanDerWaalsContact C-N 3.33Å; Y2-S4 PolarHBondContact O-N 2.96Å
3	L	56.9	Low	66.9	Low	158 Å²	158	129.2 Å²	129.2	83%	0.827	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-13	-177.2	-82.6	140.7	0	0	0	114.4
4	S	57.8	Low	67.7	Low	88 Å²	88	125.6 Å²	125.6	62%	0.615	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-22.6	-177.5	-165.6	0	0	0	0	113.9	Y2	Y2-S4 VanDerWaalsContact C-N 3.33Å; Y2-S4 PolarHBondContact O-N 2.96Å
5	M	58.7	Low	68.4	Low	148 Å²	148	124 Å²	124	73%	0.729	64%	0.644	S	S	*	*	H	α-helix	trans	-82.6	-21.9	-177.5	-69.9	-163.5	104.1	0	0	113.6
6	S	63.3	Low	68.9	Low	68 Å²	68	122.9 Å²	122.9	48%	0.476	64%	0.639	S	S	.	*	H	α-helix	trans	-73.7	-29.8	180	75.2	0	0	0	0	113.2	N8 I9 V10	S6-N8 PolarHBondContact O-N 2.85Å; S6-I9 PolarHBondContact O-N 3.18Å; S6-V10 WeakPolarHBondContact O-CG2 3.38Å; S6-V10 PolarHBondContact O-N 2.85Å
7	R	67.4	Low	69.3	Low	196 Å²	196	121.4 Å²	121.4	74%	0.74	63%	0.631	S	S	*	*	H	α-helix	trans	-66.3	-34.4	-179.8	-83.9	-179.3	152.6	173.8	-6.2	113.5	T11	R7-T11 WeakPolarHBondContact O-CG2 3.12Å; R7-T11 PolarHBondContact O-N 2.69Å; R7-T11 PolarHBondContact O-OG1 3.01Å
8	N	70.7	Confident	69.6	Low	112 Å²	112	119.2 Å²	119.2	60%	0.599	62%	0.624	S	S	*	*	H	α-helix	trans	-74.6	-32.2	179.5	-69.2	-24	0	0	0	112.3	S6 T11 S12	S6-N8 PolarHBondContact O-N 2.85Å; N8-T11 WeakPolarHBondContact CA-OG1 3.5Å; N8-T11 PolarHBondContact O-OG1 2.63Å; N8-T11 VanDerWaalsContact O-OG1 3.07Å; N8-S12 WeakPolarHBondContact O-CB 3.41Å; N8-S12 PolarHBondContact O-N 3.34Å; N8-S12 VanDerWaalsContact O-N 3.12Å
9	I	73.7	Confident	69.5	Low	107 Å²	107	119.7 Å²	119.7	55%	0.549	62%	0.621	S	S	.	*	H	α-helix	trans	-71.7	-43.6	178.2	-61.8	172.7	0	0	0	110.3	S6 T11 S12 L13	S6-I9 PolarHBondContact O-N 3.18Å; I9-T11 PolarHBondContact O-N 3.08Å; I9-S12 PolarHBondContact O-N 3.46Å; I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 WeakPolarHBondContact O-CB 3.28Å; I9-L13 PolarHBondContact O-N 3.39Å
10	V	74	Confident	69.6	Low	96 Å²	96	119.4 Å²	119.4	58%	0.582	62%	0.619	S	S	*	*	H	α-helix	trans	-65	-40.7	-179.9	176.9	0	0	0	0	111.7	S6 L13 T14	S6-V10 WeakPolarHBondContact O-CG2 3.38Å; S6-V10 PolarHBondContact O-N 2.85Å; V10-L13 PolarHBondContact O-N 2.94Å; V10-T14 PolarHBondContact O-N 3.44Å; V10-T14 PolarHBondContact O-OG1 3.42Å
11	T	74.9	Confident	69.3	Low	76 Å²	76	118.6 Å²	118.6	47%	0.466	62%	0.615	S	S	.	*	H	α-helix	trans	-68.1	-39.3	177.6	45.1	0	0	0	0	112.6	R7 N8 I9 T14 L15	R7-T11 WeakPolarHBondContact O-CG2 3.12Å; R7-T11 PolarHBondContact O-N 2.69Å; R7-T11 PolarHBondContact O-OG1 3.01Å; N8-T11 WeakPolarHBondContact CA-OG1 3.5Å; N8-T11 PolarHBondContact O-OG1 2.63Å; N8-T11 VanDerWaalsContact O-OG1 3.07Å; I9-T11 PolarHBondContact O-N 3.08Å; T11-T14 WeakPolarHBondContact CA-OG1 3.44Å; T11-T14 PolarHBondContact O-N 3.31Å; T11-T14 PolarHBondContact O-OG1 3.3Å; T11-L15 WeakPolarHBondContact O-CB 3.46Å; T11-L15 PolarHBondContact O-N 2.91Å
12	S	77.3	Confident	69.4	Low	70 Å²	70	111.6 Å²	111.6	49%	0.49	59%	0.585	S	S	.	*	H	α-helix	trans	-67.1	-37.8	176	-163.1	0	0	0	0	112.4	N8 I9 L16	N8-S12 WeakPolarHBondContact O-CB 3.41Å; N8-S12 PolarHBondContact O-N 3.34Å; N8-S12 VanDerWaalsContact O-N 3.12Å; I9-S12 PolarHBondContact O-N 3.46Å; S12-L16 PolarHBondContact O-N 3.42Å
13	L	77.9	Confident	69.1	Low	107 Å²	107	106.2 Å²	106.2	56%	0.56	57%	0.572	S	S	*	*	H	α-helix	trans	-68.4	-39.3	175.3	-109.1	136.1	0	0	0	112.2	I9 V10 L16 L17	I9-L13 HydrophobicContact CG2-CD1 4.06Å; I9-L13 WeakPolarHBondContact O-CB 3.28Å; I9-L13 PolarHBondContact O-N 3.39Å; V10-L13 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.39Å
14	T	77.8	Confident	68.9	Low	80 Å²	80	106 Å²	106	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-67.4	-40.4	175.8	19.7	0	0	0	0	112	V10 T11 L17 V18	V10-T14 PolarHBondContact O-N 3.44Å; V10-T14 PolarHBondContact O-OG1 3.42Å; T11-T14 WeakPolarHBondContact CA-OG1 3.44Å; T11-T14 PolarHBondContact O-N 3.31Å; T11-T14 PolarHBondContact O-OG1 3.3Å; T14-L17 PolarHBondContact O-N 3.42Å; T14-V18 VanDerWaalsContact O-CG2 3.31Å; T14-V18 WeakPolarHBondContact O-CG2 3.38Å; T14-V18 PolarHBondContact O-N 3.27Å
15	L	78.1	Confident	68.3	Low	101 Å²	101	105.7 Å²	105.7	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-61.4	-44.7	173.8	-89.9	158.2	0	0	0	111.9	T11 L17 V18 F19	T11-L15 WeakPolarHBondContact O-CB 3.46Å; T11-L15 PolarHBondContact O-N 2.91Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.37Å; L15-V18 PolarHBondContact O-N 2.95Å; L15-F19 HydrophobicContact CD2-CE2 4.29Å; L15-F19 VanDerWaalsContact O-CD2 3.31Å; L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.35Å
16	L	76.1	Confident	67.5	Low	106 Å²	106	103.2 Å²	103.2	56%	0.555	57%	0.567	S	S	*	*	H	α-helix	trans	-59.9	-41.6	175.2	-106.2	155.4	0	0	0	112.2	S12 L13 F19 L20	S12-L16 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 3.42Å; L16-F19 PolarHBondContact O-N 2.91Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.47Å
17	L	76.6	Confident	66.4	Low	98 Å²	98	105.2 Å²	105.2	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-66.8	-40.2	177.6	-128.8	136.9	0	0	0	111.9	L13 T14 L15 L20 L21	L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.39Å; T14-L17 PolarHBondContact O-N 3.42Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 3.2Å; L17-L21 HydrophobicContact CD2-CD1 4.04Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 3.37Å
18	V	73.8	Confident	64.9	Low	82 Å²	82	104.2 Å²	104.2	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-42.6	173.9	172.3	0	0	0	0	111	T14 L15 L20 L21 V22	T14-V18 VanDerWaalsContact O-CG2 3.31Å; T14-V18 WeakPolarHBondContact O-CG2 3.38Å; T14-V18 PolarHBondContact O-N 3.27Å; L15-V18 PolarHBondContact O-N 2.95Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.92Å; V18-L21 PolarHBondContact O-N 3.25Å; V18-V22 HydrophobicContact CG1-CG2 4.1Å; V18-V22 WeakPolarHBondContact O-CB 3.41Å; V18-V22 WeakPolarHBondContact O-CG2 3.5Å; V18-V22 PolarHBondContact O-N 2.93Å
19	F	68.8	Low	63.2	Low	129 Å²	129	108.8 Å²	108.8	57%	0.566	59%	0.594	S	S	*	*	H	α-helix	trans	-63.7	-37.7	176.2	-93.1	-76	0	0	0	112.7	L15 L16 N23	L15-F19 HydrophobicContact CD2-CE2 4.29Å; L15-F19 VanDerWaalsContact O-CD2 3.31Å; L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.35Å; L16-F19 PolarHBondContact O-N 2.91Å; F19-N23 PolarHBondContact O-N 3.04Å; F19-N23 PolarHBondContact O-ND2 3.25Å
20	L	70.4	Confident	61.3	Low	113 Å²	113	108 Å²	108	59%	0.592	60%	0.604	S	S	*	*	H	α-helix	trans	-67.3	-42	174.6	-72.4	170.7	0	0	0	111.7	L16 L17 V18 N23 E24	L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.47Å; L17-L20 PolarHBondContact O-N 3.2Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.92Å; L20-N23 PolarHBondContact O-N 3.39Å; L20-E24 PolarHBondContact O-N 3.07Å
21	L	64.2	Low	59.9	Low	103 Å²	103	107.2 Å²	107.2	54%	0.539	60%	0.599	S	S	.	*	H	α-helix	trans	-69.1	-35.4	177.5	-69.7	172.7	0	0	0	112.9	L17 V18 E24 A25	L17-L21 HydrophobicContact CD2-CD1 4.04Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 3.37Å; V18-L21 PolarHBondContact O-N 3.25Å; L21-E24 PolarHBondContact O-N 3.12Å; L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.22Å
22	V	60.1	Low	58.6	Low	86 Å²	86	108.9 Å²	108.9	52%	0.521	61%	0.614	S	S	.	*	H	α-helix	trans	-71.3	-33.9	178.5	172.1	0	0	0	0	111.6	V18 A25 S26	V18-V22 HydrophobicContact CG1-CG2 4.1Å; V18-V22 WeakPolarHBondContact O-CB 3.41Å; V18-V22 WeakPolarHBondContact O-CG2 3.5Å; V18-V22 PolarHBondContact O-N 2.93Å; V22-A25 PolarHBondContact O-N 3.44Å; V22-S26 PolarHBondContact O-N 2.82Å
23	N	52.1	Low	57.4	Low	107 Å²	107	109.7 Å²	109.7	57%	0.572	63%	0.633	S	S	*	*	H	α-helix	trans	-72.2	-30.6	176.3	-79.9	-21.4	0	0	0	113.1	F19 L20 T27	F19-N23 PolarHBondContact O-N 3.04Å; F19-N23 PolarHBondContact O-ND2 3.25Å; L20-N23 PolarHBondContact O-N 3.39Å; N23-T27 PolarHBondContact O-OG1 3.4Å
24	E	52.5	Low	56.8	Low	153 Å²	153	106.2 Å²	106.2	72%	0.715	62%	0.62	S	S	*	*	H	α-helix	trans	-73.2	-31.5	172.1	-77	-174.1	154.5	0	0	112.1	L20 L21 S26	L20-E24 PolarHBondContact O-N 3.07Å; L21-E24 PolarHBondContact O-N 3.12Å; E24-S26 PolarHBondContact O-N 3.02Å
25	A	46.1	Very low	56.7	Low	82 Å²	82	109.4 Å²	109.4	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-74.5	-18.4	-178.3	0	0	0	0	0	114.7	L21 V22	L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.22Å; V22-A25 PolarHBondContact O-N 3.44Å
26	S	42.7	Very low	57.1	Low	96 Å²	96	107.5 Å²	107.5	67%	0.671	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	2.4	-177.9	93.8	0	0	0	0	115	V22 E24	V22-S26 PolarHBondContact O-N 2.82Å; E24-S26 PolarHBondContact O-N 3.02Å
27	T	39.2	Very low	57.9	Low	109 Å²	109	103.9 Å²	103.9	67%	0.669	60%	0.598	S	S	*	*	S	Bend	trans	-117.2	16.7	-170.6	-21.6	0	0	0	0	114.9	N23	N23-T27 PolarHBondContact O-OG1 3.4Å
28	Q	37	Very low	58.7	Low	176 Å²	176	100.9 Å²	100.9	82%	0.822	59%	0.585	S	S	*	*			trans	-133.6	63.9	174	-68.9	-171.8	-1.3	0	0	111.3	A30	Q28-A30 PolarHBondContact O-N 3.13Å
29	K	34.8	Very low	59.7	Low	207 Å²	207	106.6 Å²	106.6	90%	0.9	60%	0.598	S	S	*	*			trans	-75.9	82.9	154	-153.5	173.3	-171.5	178.5	0	106.4	T31	K29-T31 PolarHBondContact O-N 2.9Å
30	A	33.3	Very low	60.9	Low	91 Å²	91	107 Å²	107	75%	0.752	60%	0.595	S	S	*	*			trans	-52.2	99.8	174.8	0	0	0	0	0	109.3	Q28 S32	Q28-A30 PolarHBondContact O-N 3.13Å; A30-S32 PolarHBondContact O-N 3.43Å
31	T	44.9	Very low	61.9	Low	79 Å²	79	103.7 Å²	103.7	49%	0.485	58%	0.577	S	S	.	*			trans	-57.8	118	159.9	43.5	0	0	0	0	106.8	K29 G33 Y95	K29-T31 PolarHBondContact O-N 2.9Å; T31-G33 PolarHBondContact O-N 3.26Å; T31-Y95 PolarHBondContact OG1-OH 2.96Å
32	S	46.5	Very low	63.2	Low	111 Å²	111	106.5 Å²	106.5	78%	0.776	59%	0.591	S	S	*	*			trans	-34.9	105.9	172.3	50.9	0	0	0	0	112.8	A30 A34	A30-S32 PolarHBondContact O-N 3.43Å; S32-A34 PolarHBondContact O-N 2.96Å
33	G	53.1	Low	64.8	Low	87 Å²	87	105.7 Å²	105.7	90%	0.897	58%	0.58	S	S	*	*	S	Bend	trans	43.8	2.9	150.7	0	0	0	0	0	122.6	T31 H35	T31-G33 PolarHBondContact O-N 3.26Å; G33-H35 PolarHBondContact O-N 3.33Å
34	A	64.7	Low	66.6	Low	35 Å²	35	104.3 Å²	104.3	29%	0.289	57%	0.568	S	S	.	*			trans	-77.9	117.2	-176.6	0	0	0	0	0	109.9	S32 Y36	S32-A34 PolarHBondContact O-N 2.96Å; A34-Y36 HydrophobicContact CB-CE1 4.44Å; A34-Y36 HydrophobicContact CB-CE2 4.04Å; A34-Y36 PolarHBondContact O-N 2.91Å
35	H	76.8	Confident	68.4	Low	146 Å²	146	102.1 Å²	102.1	68%	0.676	56%	0.558	S	S	*	*			trans	-82.9	94.3	177.1	-173.8	-82.4	0	0	0	109.7	G33 Q84	G33-H35 PolarHBondContact O-N 3.33Å; H35-Q84 WeakPolarHBondContact O-CB 3.38Å; H35-Q84 VanDerWaalsContact O-CG 3.26Å; H35-Q84 WeakPolarHBondContact O-CG 3.17Å
36	Y	86.2	Confident	70.5	Confident	61 Å²	61	101.8 Å²	101.8	24%	0.239	55%	0.548	C	S	.	.			trans	-74.4	148	175.1	-62.8	-69.5	0	0	0	111.8	A34 Q84 L86 Y95	A34-Y36 HydrophobicContact CB-CE1 4.44Å; A34-Y36 HydrophobicContact CB-CE2 4.04Å; A34-Y36 PolarHBondContact O-N 2.91Å; Y36-Q84 WeakPolarHBondContact CA-O 3.43Å; Y36-L86 HydrophobicContact CD1-CD2 3.94Å; Y36-L86 HydrophobicContact CD1-CG 4.41Å; Y36-L86 HydrophobicContact CD2-CD2 4.18Å; Y36-L86 HydrophobicContact CG-CD2 3.66Å; Y36-L86 HydrophobicContact CG-CG 4.38Å; Y36-Y95 HydrophobicContact CD2-CD2 4.18Å; Y36-Y95 HydrophobicContact CD2-CE2 4.14Å; Y36-Y95 HydrophobicContact CE2-CE2 4.15Å
37	T	91.4	Very high	72.6	Confident	30 Å²	30	97.7 Å²	97.7	18%	0.184	52%	0.519	C	S	.	.	B	Isolated β-bridge	trans	-102.7	135.4	169.1	178.1	0	0	0	0	110.5	R39 Q41 Q84	T37-R39 VanDerWaalsContact C-N 3.27Å; T37-R39 PolarHBondContact OG1-N 2.99Å; T37-R39 VanDerWaalsContact OG1-N 3.15Å; T37-Q41 HydrophobicContact CG2-CG 4.16Å; T37-Q41 VanDerWaalsContact CG2-NE2 3.27Å; T37-Q84 HydrophobicContact CG2-CB 3.95Å; T37-Q84 PolarHBondContact N-O 3.46Å
38	C	94.1	Very high	74.9	Confident	36 Å²	36	97.2 Å²	97.2	24%	0.243	53%	0.526	C	S	.	.	S	Bend	trans	-83.5	-3.5	172.9	-65.7	0	0	0	0	113.2	L61 C96	C38-L61 HydrophobicContact CB-CB 4.29Å; C38-L61 PolarHBondContact O-N 3.43Å; C38-C96 WeakPolarHBondContact CA-SG 3.48Å; C38-C96 HydrophobicContact CB-CB 3.72Å; C38-C96 WeakPolarHBondContact CB-SG 3.34Å; C38-C96 WeakPolarHBondContact SG-CA 3.44Å; C38-C96 WeakPolarHBondContact SG-CB 3.43Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 3.05Å
39	R	94.1	Very high	77	Confident	202 Å²	202	92.1 Å²	92.1	76%	0.762	51%	0.507	S	S	*	.	S	Bend	trans	-96.4	144.3	-179.8	-65.3	-177	177.5	174.3	-0.8	110.8	T37 Q41	T37-R39 VanDerWaalsContact C-N 3.27Å; T37-R39 PolarHBondContact OG1-N 2.99Å; T37-R39 VanDerWaalsContact OG1-N 3.15Å; R39-Q41 PolarHBondContact O-N 3.23Å
40	R	94.3	Very high	79.3	Confident	136 Å²	136	83.4 Å²	83.4	51%	0.513	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-55.9	133.3	168.7	178.4	169.1	179.1	-167.7	-0.5	110.4	Y60 Y69	R40-Y60 HydrophobicContact CB-CD1 4.44Å; R40-Y60 HydrophobicContact CB-CD2 3.64Å; R40-Y60 HydrophobicContact CB-CE2 3.94Å; R40-Y60 HydrophobicContact CB-CG 3.88Å; R40-Y69 HydrophobicContact CG-CD1 4.33Å; R40-Y69 HydrophobicContact CG-CD2 3.56Å; R40-Y69 HydrophobicContact CG-CE2 3.83Å; R40-Y69 HydrophobicContact CG-CG 3.81Å
41	Q	92.3	Very high	81.6	Confident	44 Å²	44	79.8 Å²	79.8	21%	0.206	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-94	153.6	171.1	-60.5	-173.7	6.1	0	0	110.7	T37 R39 Y69 Y71	T37-Q41 HydrophobicContact CG2-CG 4.16Å; T37-Q41 VanDerWaalsContact CG2-NE2 3.27Å; R39-Q41 PolarHBondContact O-N 3.23Å; Q41-Y69 HydrophobicContact CB-CE2 4.4Å; Q41-Y69 PolarHBondContact N-OH 3.44Å; Q41-Y69 WeakPolarHBondContact O-CE2 3.4Å; Q41-Y71 HydrophobicContact CB-CD2 4.45Å; Q41-Y71 HydrophobicContact CB-CE2 4.01Å; Q41-Y71 PolarHBondContact OE1-OH 3.37Å; Q41-Y71 VanDerWaalsContact OE1-OH 3.14Å
42	L	91.5	Very high	83.6	Confident	162 Å²	162	80.4 Å²	80.4	85%	0.848	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-64.8	142.2	172.7	-68.8	172.3	0	0	0	110.4	K44	L42-K44 PolarHBondContact O-N 3.42Å
43	Y	92.4	Very high	85.7	Confident	70 Å²	70	75.4 Å²	75.4	28%	0.275	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70.7	120.9	176.7	-174.7	-96.7	0	0	0	109.8	E45 F55 P70 Y71	Y43-E45 HydrophobicContact CD1-CG 3.74Å; Y43-E45 HydrophobicContact CE1-CB 4.42Å; Y43-E45 HydrophobicContact CE1-CG 3.74Å; Y43-F55 HydrophobicContact CE2-CD2 4.41Å; Y43-P70 HydrophobicContact CD2-CB 4.31Å; Y43-P70 HydrophobicContact CE2-CB 4.49Å; Y43-Y71 VanDerWaalsContact CE2-C 3.47Å
44	K	91.3	Very high	87.4	Confident	77 Å²	77	71.8 Å²	71.8	34%	0.335	36%	0.364	S	S	.	.			trans	-86.4	112.4	172.8	-59.6	177.3	-171.9	170.6	0	108.4	L42 S53 G72 D78	L42-K44 PolarHBondContact O-N 3.42Å; K44-S53 WeakPolarHBondContact O-CB 3.32Å; K44-S53 PolarHBondContact O-OG 3.3Å; K44-G72 WeakPolarHBondContact O-CA 3.03Å; K44-D78 IonicContact NZ-OD1 2.98Å; K44-D78 PolarHBondContact NZ-OD1 3.45Å; K44-D78 IonicContact NZ-OD2 3.74Å
45	E	89.9	Confident	88.7	Confident	108 Å²	108	71 Å²	71	51%	0.505	35%	0.354	S	S	.	.	S	Bend	trans	-75.6	-37	174.1	-67.8	-176.8	-176.4	0	0	111.9	Y43 S53	Y43-E45 HydrophobicContact CD1-CG 3.74Å; Y43-E45 HydrophobicContact CE1-CB 4.42Å; Y43-E45 HydrophobicContact CE1-CG 3.74Å; E45-S53 PolarHBondContact O-N 3.42Å; E45-S53 PolarHBondContact O-OG 2.84Å
46	V	89.9	Confident	89.4	Confident	75 Å²	75	64.3 Å²	64.3	46%	0.455	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-128.6	136.1	-176.9	-173.6	0	0	0	0	108.6	L51	V46-L51 CarbonylContact C-O 3.53Å; V46-L51 WeakPolarHBondContact CA-O 3.36Å
47	C	88	Confident	89.8	Confident	9 Å²	9	65 Å²	65	6%	0.061	33%	0.326	C	S	.	.			trans	-78.2	159.2	177.1	-54.9	0	0	0	0	110.4	T49 G50 L51 C74 E77	C47-T49 WeakPolarHBondContact CB-OG1 3.34Å; C47-T49 PolarHBondContact O-N 3.45Å; C47-T49 VanDerWaalsContact O-N 3.09Å; C47-G50 PolarHBondContact O-N 2.84Å; C47-L51 HydrophobicContact CB-CB 4.34Å; C47-L51 WeakPolarHBondContact CB-O 3.49Å; C47-L51 PolarHBondContact N-O 2.93Å; C47-L51 PolarHBondContact SG-O 3.49Å; C47-C74 WeakPolarHBondContact CA-SG 3.39Å; C47-C74 HydrophobicContact CB-CB 3.6Å; C47-C74 WeakPolarHBondContact CB-SG 3.35Å; C47-C74 WeakPolarHBondContact SG-CA 3.33Å; C47-C74 WeakPolarHBondContact SG-CB 3.47Å; C47-C74 CovalentContact SG-SG 2.03Å; C47-C74 PolarHBondContact SG-SG 2.94Å; C47-E77 WeakPolarHBondContact CB-OE1 3.26Å
48	A	86.5	Confident	90	Very high	99 Å²	99	63.6 Å²	63.6	82%	0.818	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.4	177.8	0	0	0	0	0	113.3	G50 E77	A48-G50 PolarHBondContact O-N 3.41Å; A48-E77 WeakPolarHBondContact CA-OE1 3.47Å; A48-E77 WeakPolarHBondContact CB-OE2 3.24Å; A48-E77 PolarHBondContact N-OE1 2.9Å; A48-E77 PolarHBondContact N-OE2 2.86Å
49	T	81	Confident	90.1	Very high	70 Å²	70	64.3 Å²	64.3	43%	0.429	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.2	172.7	46.6	0	0	0	0	114.6	C47 L51 E77	C47-T49 WeakPolarHBondContact CB-OG1 3.34Å; C47-T49 PolarHBondContact O-N 3.45Å; C47-T49 VanDerWaalsContact O-N 3.09Å; T49-L51 VanDerWaalsContact C-N 3.31Å; T49-L51 WeakPolarHBondContact OG1-CD1 3.42Å; T49-L51 VanDerWaalsContact OG1-CG 3.3Å; T49-L51 WeakPolarHBondContact OG1-CG 3.48Å; T49-E77 WeakPolarHBondContact CB-OE1 3.05Å; T49-E77 HydrophobicContact CG2-CG 4.4Å; T49-E77 VanDerWaalsContact CG2-OE1 3.27Å; T49-E77 WeakPolarHBondContact CG2-OE1 3.21Å; T49-E77 PolarHBondContact N-OE1 3.29Å; T49-E77 PolarHBondContact OG1-OE1 2.86Å
50	G	83.4	Confident	90.2	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	28%	0.282	C	S	.	.	S	Bend	trans	80.9	9.7	-173	0	0	0	0	0	113.7	C47 A48	C47-G50 PolarHBondContact O-N 2.84Å; A48-G50 PolarHBondContact O-N 3.41Å
51	L	80.7	Confident	90.2	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.084	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-88.1	150.1	179.2	-55.7	176.1	0	0	0	110.9	V46 C47 T49 G299 R301	V46-L51 CarbonylContact C-O 3.53Å; V46-L51 WeakPolarHBondContact CA-O 3.36Å; C47-L51 HydrophobicContact CB-CB 4.34Å; C47-L51 WeakPolarHBondContact CB-O 3.49Å; C47-L51 PolarHBondContact N-O 2.93Å; C47-L51 PolarHBondContact SG-O 3.49Å; T49-L51 VanDerWaalsContact C-N 3.31Å; T49-L51 WeakPolarHBondContact OG1-CD1 3.42Å; T49-L51 VanDerWaalsContact OG1-CG 3.3Å; T49-L51 WeakPolarHBondContact OG1-CG 3.48Å; L51-G299 WeakPolarHBondContact CD1-O 3.4Å; L51-R301 WeakPolarHBondContact CD2-O 3.34Å
52	K	87.5	Confident	90.3	Very high	92 Å²	92	51.4 Å²	51.4	40%	0.4	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-68.9	133.3	171.8	-174.4	173.3	-177.4	174	0	110.4	Y280 F303	K52-Y280 HydrophobicContact CB-CD1 4.4Å; K52-Y280 HydrophobicContact CB-CE1 3.96Å; K52-Y280 HydrophobicContact CD-CD1 4.29Å; K52-Y280 HydrophobicContact CD-CE1 4.5Å; K52-Y280 HydrophobicContact CG-CE1 4.22Å; K52-Y280 WeakPolarHBondContact O-CE1 2.98Å; K52-Y280 PolarHBondContact O-OH 2.87Å; K52-F303 HydrophobicContact CB-CD2 4.22Å; K52-F303 HydrophobicContact CB-CE2 3.43Å; K52-F303 VanDerWaalsContact CB-CE2 3.43Å; K52-F303 HydrophobicContact CB-CZ 3.93Å; K52-F303 HydrophobicContact CD-CE2 4.49Å; K52-F303 HydrophobicContact CD-CZ 4.15Å
53	S	90.3	Very high	90.4	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.035	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.9	157.9	175.7	73.7	0	0	0	0	111.7	K44 E45 G72	K44-S53 WeakPolarHBondContact O-CB 3.32Å; K44-S53 PolarHBondContact O-OG 3.3Å; E45-S53 PolarHBondContact O-N 3.42Å; E45-S53 PolarHBondContact O-OG 2.84Å; S53-G72 WeakPolarHBondContact OG-CA 3.37Å
54	Q	89.1	Confident	90.3	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.1	171.7	-78.6	168.7	52.7	0	0	110	V56 Y73 R279 Y280	Q54-V56 PolarHBondContact O-N 3.06Å; Q54-Y73 PolarHBondContact N-O 2.99Å; Q54-Y73 PolarHBondContact O-N 3.27Å; Q54-R279 VanDerWaalsContact NE2-CD 3.26Å; Q54-R279 VanDerWaalsContact NE2-NH1 3.13Å; Q54-Y280 HydrophobicContact CG-CE1 4.22Å; Q54-Y280 PolarHBondContact NE2-OH 3.48Å
55	F	91.6	Very high	90.5	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.088	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125.8	172.1	175.5	-87	0	0	0	110.4	Y43 W57 P70 L183 I185 F247 T248 L249	Y43-F55 HydrophobicContact CE2-CD2 4.41Å; F55-W57 AromaticContact CE1-CD1 3.99Å; F55-W57 AromaticContact CE1-NE1 3.7Å; F55-W57 HydrophobicContact CZ-CD2 4.17Å; F55-W57 AromaticContact CZ-CE2 3.67Å; F55-W57 AromaticContact CZ-CZ2 3.91Å; F55-W57 HydrophobicContact CZ-CZ2 3.91Å; F55-W57 AromaticContact CZ-NE1 3.74Å; F55-P70 HydrophobicContact CD2-CB 4.2Å; F55-P70 HydrophobicContact CE2-CB 3.49Å; F55-P70 VanDerWaalsContact CE2-CB 3.49Å; F55-P70 HydrophobicContact CZ-CB 4.27Å; F55-L183 HydrophobicContact CD2-CD2 4.2Å; F55-L183 HydrophobicContact CE2-CD2 4.23Å; F55-I185 HydrophobicContact CE2-CD1 4Å; F55-I185 HydrophobicContact CZ-CD1 3.97Å; F55-F247 HydrophobicContact CE1-CD1 4.04Å; F55-F247 AromaticContact CE1-CE1 3.86Å; F55-F247 HydrophobicContact CE1-CE1 3.86Å; F55-T248 WeakPolarHBondContact O-CB 3.31Å; F55-T248 PolarHBondContact O-OG1 2.98Å; F55-L249 HydrophobicContact CD1-CD1 4.17Å; F55-L249 HydrophobicContact CD1-CG 4.02Å; F55-L249 HydrophobicContact CG-CD1 4.45Å
56	V	92.8	Very high	90.9	Very high	4 Å²	4	47 Å²	47	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.3	169.6	-58.9	0	0	0	0	110.3	Q54 R58 Y71 Q246	Q54-V56 PolarHBondContact O-N 3.06Å; V56-R58 HydrophobicContact CG2-CG 4.41Å; V56-Y71 HydrophobicContact CG2-CD1 3.74Å; V56-Y71 HydrophobicContact CG2-CG 4.31Å; V56-Y71 PolarHBondContact N-O 3.21Å; V56-Y71 WeakPolarHBondContact O-CB 3.47Å; V56-Y71 PolarHBondContact O-N 3.19Å; V56-Q246 HydrophobicContact CB-CG 4.35Å
57	W	93.9	Very high	91.2	Very high	76 Å²	76	48 Å²	48	29%	0.288	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.2	167.4	-71.1	106.8	0	0	0	111.3	F55 Y69 F247	F55-W57 AromaticContact CE1-CD1 3.99Å; F55-W57 AromaticContact CE1-NE1 3.7Å; F55-W57 HydrophobicContact CZ-CD2 4.17Å; F55-W57 AromaticContact CZ-CE2 3.67Å; F55-W57 AromaticContact CZ-CZ2 3.91Å; F55-W57 HydrophobicContact CZ-CZ2 3.91Å; F55-W57 AromaticContact CZ-NE1 3.74Å; W57-Y69 VanDerWaalsContact CE3-O 3.31Å; W57-Y69 VanDerWaalsContact CZ3-C 3.47Å; W57-F247 AromaticContact CD1-CD1 3.14Å; W57-F247 AromaticContact CD1-CE1 3.84Å; W57-F247 AromaticContact CD1-CG 3.59Å; W57-F247 HydrophobicContact CG-CD1 4.4Å; W57-F247 PolarHBondContact N-O 3.5Å; W57-F247 AromaticContact NE1-CD1 3.38Å; W57-F247 AromaticContact NE1-CE1 3.56Å
58	R	94.8	Very high	91.6	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.2	171.5	-71.2	-69.6	-176.3	-121.5	0.8	109.7	V56 T68 Y69 Y71 D83 A85 L86 R87	V56-R58 HydrophobicContact CG2-CG 4.41Å; R58-T68 CarbonylContact O-C 3.58Å; R58-T68 VanDerWaalsContact O-CA 3.25Å; R58-T68 WeakPolarHBondContact O-CA 3.49Å; R58-Y69 HydrophobicContact CB-CD1 4.03Å; R58-Y69 HydrophobicContact CB-CE1 3.44Å; R58-Y69 VanDerWaalsContact CB-CE1 3.44Å; R58-Y69 PolarHBondContact N-O 3.42Å; R58-Y69 VanDerWaalsContact N-O 3.11Å; R58-Y69 VanDerWaalsContact O-CD1 3.28Å; R58-Y69 WeakPolarHBondContact O-CD1 3.2Å; R58-Y69 PolarHBondContact O-N 2.65Å; R58-Y71 HydrophobicContact CB-CG 4.37Å; R58-Y71 VanDerWaalsContact CG-CB 3.4Å; R58-Y71 HydrophobicContact CG-CD1 3.76Å; R58-Y71 HydrophobicContact CG-CD2 4.16Å; R58-Y71 HydrophobicContact CG-CG 3.5Å; R58-D83 IonicContact CZ-OD2 3.37Å; R58-D83 IonicContact NE-OD1 3.07Å; R58-D83 IonicContact NE-OD2 3.68Å; R58-D83 IonicContact NH2-OD2 3.45Å; R58-D83 PolarHBondContact NH2-OD2 3.5Å; R58-A85 HydrophobicContact CB-CB 4.18Å; R58-A85 HydrophobicContact CG-CB 3.76Å; R58-L86 WeakPolarHBondContact CA-O 3.31Å; R58-L86 WeakPolarHBondContact CD-O 3.17Å; R58-R87 VanDerWaalsContact NH1-CG 3.31Å
59	W	95.9	Very high	92	Very high	51 Å²	51	46.1 Å²	46.1	19%	0.193	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.4	-179.7	-65.8	83.5	0	0	0	111.1	C66 R67 T68 L86 Y88 Q89 C92	W59-C66 HydrophobicContact CE3-CB 4.01Å; W59-C66 HydrophobicContact CZ3-CB 4.4Å; W59-C66 WeakPolarHBondContact CZ3-O 3.27Å; W59-R67 CarbonylContact C-O 3.59Å; W59-R67 VanDerWaalsContact CA-O 3.31Å; W59-R67 WeakPolarHBondContact CA-O 3.47Å; W59-T68 HydrophobicContact CD2-CG2 3.73Å; W59-T68 VanDerWaalsContact CE2-CG2 3.49Å; W59-T68 HydrophobicContact CE3-CG2 3.84Å; W59-T68 HydrophobicContact CH2-CG2 3.58Å; W59-T68 HydrophobicContact CZ2-CG2 3.41Å; W59-T68 VanDerWaalsContact CZ2-CG2 3.41Å; W59-T68 HydrophobicContact CZ3-CG2 3.78Å; W59-L86 HydrophobicContact CB-CB 4.19Å; W59-L86 PolarHBondContact N-O 3.02Å; W59-Y88 VanDerWaalsContact CD1-C 3.46Å; W59-Q89 HydrophobicContact CD2-CB 3.93Å; W59-Q89 HydrophobicContact CD2-CG 4.37Å; W59-Q89 HydrophobicContact CE3-CB 4.06Å; W59-Q89 HydrophobicContact CE3-CG 3.98Å; W59-Q89 HydrophobicContact CH2-CB 3.69Å; W59-Q89 HydrophobicContact CH2-CG 3.7Å; W59-Q89 VanDerWaalsContact CH2-OE1 3.28Å; W59-Q89 HydrophobicContact CZ2-CB 3.58Å; W59-Q89 HydrophobicContact CZ2-CG 4.14Å; W59-Q89 HydrophobicContact CZ3-CB 3.93Å; W59-Q89 HydrophobicContact CZ3-CG 3.62Å; W59-C92 HydrophobicContact CB-CB 3.78Å
60	Y	96.2	Very high	92.7	Very high	21 Å²	21	44.3 Å²	44.3	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.8	173.4	75.7	-68.3	0	0	0	109.8	R40 E62 C66 R67 Y69	R40-Y60 HydrophobicContact CB-CD1 4.44Å; R40-Y60 HydrophobicContact CB-CD2 3.64Å; R40-Y60 HydrophobicContact CB-CE2 3.94Å; R40-Y60 HydrophobicContact CB-CG 3.88Å; Y60-E62 HydrophobicContact CD2-CB 4.19Å; Y60-E62 HydrophobicContact CE2-CB 3.6Å; Y60-E62 HydrophobicContact CE2-CG 4.14Å; Y60-E62 WeakPolarHBondContact CE2-OE1 3.4Å; Y60-E62 PolarHBondContact OH-OE1 3Å; Y60-E62 PolarHBondContact OH-OE2 3.47Å; Y60-E62 VanDerWaalsContact OH-OE2 3.08Å; Y60-C66 CarbonylContact O-C 3.58Å; Y60-C66 WeakPolarHBondContact O-CA 3.33Å; Y60-R67 HydrophobicContact CD1-CB 4.23Å; Y60-R67 WeakPolarHBondContact CD1-O 3.38Å; Y60-R67 HydrophobicContact CE1-CB 3.7Å; Y60-R67 PolarHBondContact N-O 2.97Å; Y60-R67 PolarHBondContact O-N 3.45Å; Y60-Y69 AromaticContact CD1-CD1 3.43Å; Y60-Y69 HydrophobicContact CD1-CD1 3.43Å; Y60-Y69 VanDerWaalsContact CD1-CD1 3.43Å; Y60-Y69 HydrophobicContact CD1-CE1 4.23Å; Y60-Y69 HydrophobicContact CD1-CG 4.06Å; Y60-Y69 HydrophobicContact CE1-CD1 4.14Å; Y60-Y69 HydrophobicContact CE1-CG 4.34Å; Y60-Y69 HydrophobicContact CG-CD1 4.06Å; Y60-Y69 HydrophobicContact CG-CE1 4.46Å
61	L	95.4	Very high	93.2	Very high	25 Å²	25	43.3 Å²	43.3	13%	0.131	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.3	176.2	-172.8	71.6	0	0	0	110.2	C38 C96 I97 E100	C38-L61 HydrophobicContact CB-CB 4.29Å; C38-L61 PolarHBondContact O-N 3.43Å; L61-C96 HydrophobicContact CB-CB 3.87Å; L61-C96 HydrophobicContact CD1-CB 4.38Å; L61-C96 HydrophobicContact CD2-CB 3.93Å; L61-C96 HydrophobicContact CG-CB 4.29Å; L61-I97 HydrophobicContact CD1-CD1 4.12Å; L61-I97 HydrophobicContact CD1-CG1 3.5Å; L61-I97 VanDerWaalsContact CD1-CG1 3.5Å; L61-E100 HydrophobicContact CD2-CG 4.46Å; L61-E100 VanDerWaalsContact CD2-OE1 3.31Å; L61-E100 WeakPolarHBondContact CD2-OE1 3.47Å; L61-E100 WeakPolarHBondContact CD2-OE2 3.27Å
62	E	94.4	Very high	93.7	Very high	65 Å²	65	42.5 Å²	42.5	30%	0.304	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127.7	174.9	-170.9	171.4	-102.5	0	0	108.8	Y60 G64 E65 R67	Y60-E62 HydrophobicContact CD2-CB 4.19Å; Y60-E62 HydrophobicContact CE2-CB 3.6Å; Y60-E62 HydrophobicContact CE2-CG 4.14Å; Y60-E62 WeakPolarHBondContact CE2-OE1 3.4Å; Y60-E62 PolarHBondContact OH-OE1 3Å; Y60-E62 PolarHBondContact OH-OE2 3.47Å; Y60-E62 VanDerWaalsContact OH-OE2 3.08Å; E62-G64 PolarHBondContact O-N 3Å; E62-E65 PolarHBondContact N-O 2.95Å; E62-E65 PolarHBondContact O-N 3.38Å; E62-R67 VanDerWaalsContact OE2-CD 3.24Å; E62-R67 WeakPolarHBondContact OE2-CD 3.44Å; E62-R67 IonicContact OE2-CZ 3.34Å; E62-R67 IonicContact OE2-NE 3.3Å; E62-R67 IonicContact OE2-NH1 3.5Å; E62-R67 PolarHBondContact OE2-NH1 2.9Å
63	D	92.8	Very high	93.8	Very high	144 Å²	144	39.5 Å²	39.5	77%	0.77	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	31.1	179	-56	-36.1	0	0	0	114.8	E65	D63-E65 VanDerWaalsContact C-N 3.31Å
64	G	91.6	Very high	93.7	Very high	45 Å²	45	39.3 Å²	39.3	46%	0.464	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	4.1	-179.3	0	0	0	0	0	114.9	E62	E62-G64 PolarHBondContact O-N 3Å
65	E	95.5	Very high	93.2	Very high	117 Å²	117	40.1 Å²	40.1	55%	0.547	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.9	178.2	-63.8	-175.7	156.8	0	0	111.5	E62 D63 R67	E62-E65 PolarHBondContact N-O 2.95Å; E62-E65 PolarHBondContact O-N 3.38Å; D63-E65 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.21Å; E65-R67 IonicContact OE2-NH2 2.67Å
66	C	96.7	Very high	92.3	Very high	18 Å²	18	41.7 Å²	41.7	12%	0.122	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.1	173.6	-76.4	0	0	0	0	109.7	W59 Y60 C92 E93	W59-C66 HydrophobicContact CE3-CB 4.01Å; W59-C66 HydrophobicContact CZ3-CB 4.4Å; W59-C66 WeakPolarHBondContact CZ3-O 3.27Å; Y60-C66 CarbonylContact O-C 3.58Å; Y60-C66 WeakPolarHBondContact O-CA 3.33Å; C66-C92 HydrophobicContact CB-CB 3.87Å; C66-C92 WeakPolarHBondContact CB-SG 3.34Å; C66-C92 WeakPolarHBondContact SG-CB 3.3Å; C66-C92 CovalentContact SG-SG 2.05Å; C66-C92 PolarHBondContact SG-SG 3.44Å; C66-E93 HydrophobicContact CB-CG 4.33Å; C66-E93 PolarHBondContact SG-N 3.35Å
67	R	96.8	Very high	91.4	Very high	97 Å²	97	43.8 Å²	43.8	37%	0.366	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.9	179.8	-66.7	-172	177	176.6	-0.3	111.1	W59 Y60 E62 E65	W59-R67 CarbonylContact C-O 3.59Å; W59-R67 VanDerWaalsContact CA-O 3.31Å; W59-R67 WeakPolarHBondContact CA-O 3.47Å; Y60-R67 HydrophobicContact CD1-CB 4.23Å; Y60-R67 WeakPolarHBondContact CD1-O 3.38Å; Y60-R67 HydrophobicContact CE1-CB 3.7Å; Y60-R67 PolarHBondContact N-O 2.97Å; Y60-R67 PolarHBondContact O-N 3.45Å; E62-R67 VanDerWaalsContact OE2-CD 3.24Å; E62-R67 WeakPolarHBondContact OE2-CD 3.44Å; E62-R67 IonicContact OE2-CZ 3.34Å; E62-R67 IonicContact OE2-NE 3.3Å; E62-R67 IonicContact OE2-NH1 3.5Å; E62-R67 PolarHBondContact OE2-NH1 2.9Å; E65-R67 PolarHBondContact O-N 3.21Å; E65-R67 IonicContact OE2-NH2 2.67Å
68	T	96	Very high	90.1	Very high	63 Å²	63	40.5 Å²	40.5	39%	0.387	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	144	176.1	55.1	0	0	0	0	111.5	R58 W59	R58-T68 CarbonylContact O-C 3.58Å; R58-T68 VanDerWaalsContact O-CA 3.25Å; R58-T68 WeakPolarHBondContact O-CA 3.49Å; W59-T68 HydrophobicContact CD2-CG2 3.73Å; W59-T68 VanDerWaalsContact CE2-CG2 3.49Å; W59-T68 HydrophobicContact CE3-CG2 3.84Å; W59-T68 HydrophobicContact CH2-CG2 3.58Å; W59-T68 HydrophobicContact CZ2-CG2 3.41Å; W59-T68 VanDerWaalsContact CZ2-CG2 3.41Å; W59-T68 HydrophobicContact CZ3-CG2 3.78Å
69	Y	96	Very high	88.5	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.1	172	75.9	-77.9	0	0	0	111.7	R40 Q41 W57 R58 Y60 Y71	R40-Y69 HydrophobicContact CG-CD1 4.33Å; R40-Y69 HydrophobicContact CG-CD2 3.56Å; R40-Y69 HydrophobicContact CG-CE2 3.83Å; R40-Y69 HydrophobicContact CG-CG 3.81Å; Q41-Y69 HydrophobicContact CB-CE2 4.4Å; Q41-Y69 PolarHBondContact N-OH 3.44Å; Q41-Y69 WeakPolarHBondContact O-CE2 3.4Å; W57-Y69 VanDerWaalsContact CE3-O 3.31Å; W57-Y69 VanDerWaalsContact CZ3-C 3.47Å; R58-Y69 HydrophobicContact CB-CD1 4.03Å; R58-Y69 HydrophobicContact CB-CE1 3.44Å; R58-Y69 VanDerWaalsContact CB-CE1 3.44Å; R58-Y69 PolarHBondContact N-O 3.42Å; R58-Y69 VanDerWaalsContact N-O 3.11Å; R58-Y69 VanDerWaalsContact O-CD1 3.28Å; R58-Y69 WeakPolarHBondContact O-CD1 3.2Å; R58-Y69 PolarHBondContact O-N 2.65Å; Y60-Y69 AromaticContact CD1-CD1 3.43Å; Y60-Y69 HydrophobicContact CD1-CD1 3.43Å; Y60-Y69 VanDerWaalsContact CD1-CD1 3.43Å; Y60-Y69 HydrophobicContact CD1-CE1 4.23Å; Y60-Y69 HydrophobicContact CD1-CG 4.06Å; Y60-Y69 HydrophobicContact CE1-CD1 4.14Å; Y60-Y69 HydrophobicContact CE1-CG 4.34Å; Y60-Y69 HydrophobicContact CG-CD1 4.06Å; Y60-Y69 HydrophobicContact CG-CE1 4.46Å; Y69-Y71 AromaticContact CE2-CD2 3.87Å; Y69-Y71 HydrophobicContact CE2-CD2 3.87Å
70	P	95	Very high	86.6	Confident	32 Å²	32	47.8 Å²	47.8	21%	0.208	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.7	176.7	30.7	-37.1	0	0	0	110.3	Y43 F55	Y43-P70 HydrophobicContact CD2-CB 4.31Å; Y43-P70 HydrophobicContact CE2-CB 4.49Å; F55-P70 HydrophobicContact CD2-CB 4.2Å; F55-P70 HydrophobicContact CE2-CB 3.49Å; F55-P70 VanDerWaalsContact CE2-CB 3.49Å; F55-P70 HydrophobicContact CZ-CB 4.27Å
71	Y	93.4	Very high	84.8	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.8	-178.6	-173	-105.2	0	0	0	111	Q41 Y43 V56 R58 Y69 Y73 A85	Q41-Y71 HydrophobicContact CB-CD2 4.45Å; Q41-Y71 HydrophobicContact CB-CE2 4.01Å; Q41-Y71 PolarHBondContact OE1-OH 3.37Å; Q41-Y71 VanDerWaalsContact OE1-OH 3.14Å; Y43-Y71 VanDerWaalsContact CE2-C 3.47Å; V56-Y71 HydrophobicContact CG2-CD1 3.74Å; V56-Y71 HydrophobicContact CG2-CG 4.31Å; V56-Y71 PolarHBondContact N-O 3.21Å; V56-Y71 WeakPolarHBondContact O-CB 3.47Å; V56-Y71 PolarHBondContact O-N 3.19Å; R58-Y71 HydrophobicContact CB-CG 4.37Å; R58-Y71 VanDerWaalsContact CG-CB 3.4Å; R58-Y71 HydrophobicContact CG-CD1 3.76Å; R58-Y71 HydrophobicContact CG-CD2 4.16Å; R58-Y71 HydrophobicContact CG-CG 3.5Å; Y69-Y71 AromaticContact CE2-CD2 3.87Å; Y69-Y71 HydrophobicContact CE2-CD2 3.87Å; Y71-Y73 HydrophobicContact CE1-CD2 4.41Å; Y71-A85 HydrophobicContact CD2-CB 4.39Å; Y71-A85 HydrophobicContact CE2-CB 4.08Å
72	G	92.8	Very high	83.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	96.1	177	0	0	0	0	0	110.2	K44 S53	K44-G72 WeakPolarHBondContact O-CA 3.03Å; S53-G72 WeakPolarHBondContact OG-CA 3.37Å
73	Y	89.1	Confident	82.7	Confident	29 Å²	29	50.3 Å²	50.3	11%	0.114	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.3	-179.1	-179.6	-110.8	0	0	0	111.7	Q54 Y71 V75 D78 I272	Q54-Y73 PolarHBondContact N-O 2.99Å; Q54-Y73 PolarHBondContact O-N 3.27Å; Y71-Y73 HydrophobicContact CE1-CD2 4.41Å; Y73-V75 HydrophobicContact CD1-CG2 4.07Å; Y73-V75 HydrophobicContact CE1-CG2 3.79Å; Y73-D78 HydrophobicContact CD2-CB 3.91Å; Y73-D78 HydrophobicContact CE2-CB 3.55Å; Y73-D78 VanDerWaalsContact CE2-O 3.29Å; Y73-D78 WeakPolarHBondContact CE2-O 3.49Å; Y73-D78 PolarHBondContact OH-O 2.95Å; Y73-I272 HydrophobicContact CE1-CD1 4.48Å
74	C	87.1	Confident	82.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.288	C	S	.	.			trans	-104.7	102.5	179.7	-71.1	0	0	0	0	110.8	C47 G76 E77 D78	C47-C74 WeakPolarHBondContact CA-SG 3.39Å; C47-C74 HydrophobicContact CB-CB 3.6Å; C47-C74 WeakPolarHBondContact CB-SG 3.35Å; C47-C74 WeakPolarHBondContact SG-CA 3.33Å; C47-C74 WeakPolarHBondContact SG-CB 3.47Å; C47-C74 CovalentContact SG-SG 2.03Å; C47-C74 PolarHBondContact SG-SG 2.94Å; C74-G76 PolarHBondContact O-N 3.5Å; C74-E77 HydrophobicContact CB-CB 3.87Å; C74-E77 HydrophobicContact CB-CG 4.35Å; C74-E77 PolarHBondContact O-N 3.35Å; C74-E77 VanDerWaalsContact O-N 3.1Å; C74-D78 WeakPolarHBondContact CB-OD2 3.04Å; C74-D78 PolarHBondContact N-OD2 3.28Å; C74-D78 PolarHBondContact O-N 3.29Å
75	V	78.6	Confident	82.4	Confident	28 Å²	28	45.5 Å²	45.5	17%	0.17	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	124.4	178.8	177.5	0	0	0	0	110	Y73 E77 I272	Y73-V75 HydrophobicContact CD1-CG2 4.07Å; Y73-V75 HydrophobicContact CE1-CG2 3.79Å; V75-E77 VanDerWaalsContact C-N 3.29Å; V75-E77 PolarHBondContact O-N 2.99Å; V75-I272 HydrophobicContact CB-CD1 4.4Å; V75-I272 HydrophobicContact CG1-CD1 3.66Å; V75-I272 HydrophobicContact CG1-CG2 3.95Å; V75-I272 HydrophobicContact CG2-CD1 3.91Å
76	G	73.5	Confident	82.2	Confident	54 Å²	54	39.9 Å²	39.9	56%	0.557	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-9.5	179.1	0	0	0	0	0	115.3	C74	C74-G76 PolarHBondContact O-N 3.5Å
77	E	74.2	Confident	81.9	Confident	48 Å²	48	40.5 Å²	40.5	22%	0.224	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-43.8	167.9	-69.3	174.3	-156.6	0	0	110.6	C47 A48 T49 C74 V75 D79	C47-E77 WeakPolarHBondContact CB-OE1 3.26Å; A48-E77 WeakPolarHBondContact CA-OE1 3.47Å; A48-E77 WeakPolarHBondContact CB-OE2 3.24Å; A48-E77 PolarHBondContact N-OE1 2.9Å; A48-E77 PolarHBondContact N-OE2 2.86Å; T49-E77 WeakPolarHBondContact CB-OE1 3.05Å; T49-E77 HydrophobicContact CG2-CG 4.4Å; T49-E77 VanDerWaalsContact CG2-OE1 3.27Å; T49-E77 WeakPolarHBondContact CG2-OE1 3.21Å; T49-E77 PolarHBondContact N-OE1 3.29Å; T49-E77 PolarHBondContact OG1-OE1 2.86Å; C74-E77 HydrophobicContact CB-CB 3.87Å; C74-E77 HydrophobicContact CB-CG 4.35Å; C74-E77 PolarHBondContact O-N 3.35Å; C74-E77 VanDerWaalsContact O-N 3.1Å; V75-E77 VanDerWaalsContact C-N 3.29Å; V75-E77 PolarHBondContact O-N 2.99Å; E77-D79 VanDerWaalsContact C-N 3.33Å; E77-D79 PolarHBondContact O-N 2.97Å
78	D	65.6	Low	81.7	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	-94.9	65.2	178.5	-56.3	-45.7	0	0	0	108.7	K44 Y73 C74 D83	K44-D78 IonicContact NZ-OD1 2.98Å; K44-D78 PolarHBondContact NZ-OD1 3.45Å; K44-D78 IonicContact NZ-OD2 3.74Å; Y73-D78 HydrophobicContact CD2-CB 3.91Å; Y73-D78 HydrophobicContact CE2-CB 3.55Å; Y73-D78 VanDerWaalsContact CE2-O 3.29Å; Y73-D78 WeakPolarHBondContact CE2-O 3.49Å; Y73-D78 PolarHBondContact OH-O 2.95Å; C74-D78 WeakPolarHBondContact CB-OD2 3.04Å; C74-D78 PolarHBondContact N-OD2 3.28Å; C74-D78 PolarHBondContact O-N 3.29Å; D78-D83 HydrophobicContact CB-CB 4.28Å
79	D	61.9	Low	81.6	Confident	103 Å²	103	38.2 Å²	38.2	55%	0.551	23%	0.228	S	C	*	.			trans	-60.7	155.4	168	-82.3	-23.1	0	0	0	109.8	E77 G81 V82 D83	E77-D79 VanDerWaalsContact C-N 3.33Å; E77-D79 PolarHBondContact O-N 2.97Å; D79-G81 PolarHBondContact O-N 3.49Å; D79-V82 PolarHBondContact O-N 3.17Å; D79-D83 PolarHBondContact O-N 3.4Å
80	V	56.7	Low	81.3	Confident	102 Å²	102	43.1 Å²	43.1	62%	0.618	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.8	-169.6	-178.7	0	0	0	0	114
81	G	57	Low	81.1	Confident	64 Å²	64	43.6 Å²	43.6	66%	0.66	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-16	173.5	0	0	0	0	0	116.3	D79	D79-G81 PolarHBondContact O-N 3.49Å
82	V	68.3	Low	81.2	Confident	94 Å²	94	43.5 Å²	43.5	57%	0.57	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-28.2	-177.2	-173.2	0	0	0	0	111.5	D79 Q84	D79-V82 PolarHBondContact O-N 3.17Å; V82-Q84 WeakPolarHBondContact O-CG 3.31Å; V82-Q84 PolarHBondContact O-N 3.45Å
83	D	77.5	Confident	81.3	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.027	27%	0.267	C	S	.	.			trans	-66.8	92.5	175.2	-176.7	10	0	0	0	111	R58 D78 D79 A85 R87	R58-D83 IonicContact CZ-OD2 3.37Å; R58-D83 IonicContact NE-OD1 3.07Å; R58-D83 IonicContact NE-OD2 3.68Å; R58-D83 IonicContact NH2-OD2 3.45Å; R58-D83 PolarHBondContact NH2-OD2 3.5Å; D78-D83 HydrophobicContact CB-CB 4.28Å; D79-D83 PolarHBondContact O-N 3.4Å; D83-A85 PolarHBondContact O-N 3.48Å; D83-A85 WeakPolarHBondContact OD1-CB 3.24Å; D83-A85 PolarHBondContact OD1-N 3.3Å; D83-A85 VanDerWaalsContact OD1-N 3.17Å; D83-R87 IonicContact OD2-CZ 3.45Å; D83-R87 IonicContact OD2-NE 3.72Å; D83-R87 PolarHBondContact OD2-NE 3.32Å; D83-R87 IonicContact OD2-NH2 2.72Å; D83-R87 PolarHBondContact OD2-NH2 2.99Å; D83-R87 VanDerWaalsContact OD2-NH2 3.07Å
84	Q	86.6	Confident	81.3	Confident	87 Å²	87	47.8 Å²	47.8	41%	0.407	28%	0.276	S	S	.	.			trans	-77.3	-6.2	179.1	-57.2	-175.2	-11.8	0	0	112.9	H35 Y36 T37 V82	H35-Q84 WeakPolarHBondContact O-CB 3.38Å; H35-Q84 VanDerWaalsContact O-CG 3.26Å; H35-Q84 WeakPolarHBondContact O-CG 3.17Å; Y36-Q84 WeakPolarHBondContact CA-O 3.43Å; T37-Q84 HydrophobicContact CG2-CB 3.95Å; T37-Q84 PolarHBondContact N-O 3.46Å; V82-Q84 WeakPolarHBondContact O-CG 3.31Å; V82-Q84 PolarHBondContact O-N 3.45Å
85	A	91.3	Very high	81.5	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.008	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-79.4	135.5	-177.6	0	0	0	0	0	110.9	R58 Y71 D83 R87	R58-A85 HydrophobicContact CB-CB 4.18Å; R58-A85 HydrophobicContact CG-CB 3.76Å; Y71-A85 HydrophobicContact CD2-CB 4.39Å; Y71-A85 HydrophobicContact CE2-CB 4.08Å; D83-A85 PolarHBondContact O-N 3.48Å; D83-A85 WeakPolarHBondContact OD1-CB 3.24Å; D83-A85 PolarHBondContact OD1-N 3.3Å; D83-A85 VanDerWaalsContact OD1-N 3.17Å; A85-R87 PolarHBondContact O-N 3.48Å
86	L	92.7	Very high	82.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-72.6	131.7	-176.5	-68.7	153	0	0	0	110.8	Y36 R58 W59 D91 C92 Y95 C96	Y36-L86 HydrophobicContact CD1-CD2 3.94Å; Y36-L86 HydrophobicContact CD1-CG 4.41Å; Y36-L86 HydrophobicContact CD2-CD2 4.18Å; Y36-L86 HydrophobicContact CG-CD2 3.66Å; Y36-L86 HydrophobicContact CG-CG 4.38Å; R58-L86 WeakPolarHBondContact CA-O 3.31Å; R58-L86 WeakPolarHBondContact CD-O 3.17Å; W59-L86 HydrophobicContact CB-CB 4.19Å; W59-L86 PolarHBondContact N-O 3.02Å; L86-D91 HydrophobicContact CD2-CB 3.87Å; L86-C92 HydrophobicContact CD1-CB 4.04Å; L86-Y95 HydrophobicContact CD2-CD2 3.94Å; L86-C96 WeakPolarHBondContact CD1-SG 3.35Å
87	R	90.8	Very high	83.1	Confident	31 Å²	31	49.1 Å²	49.1	12%	0.117	26%	0.264	C	S	.	.			trans	-91	-36.1	-172.5	-50.4	-163.2	170.1	173.3	-4	112.7	R58 D83 A85	R58-R87 VanDerWaalsContact NH1-CG 3.31Å; D83-R87 IonicContact OD2-CZ 3.45Å; D83-R87 IonicContact OD2-NE 3.72Å; D83-R87 PolarHBondContact OD2-NE 3.32Å; D83-R87 IonicContact OD2-NH2 2.72Å; D83-R87 PolarHBondContact OD2-NH2 2.99Å; D83-R87 VanDerWaalsContact OD2-NH2 3.07Å; A85-R87 PolarHBondContact O-N 3.48Å
88	Y	91.3	Very high	83.8	Confident	37 Å²	37	54 Å²	54	15%	0.145	28%	0.28	C	S	.	.	S	Bend	trans	-117	151.6	-174.7	-52.8	-60.3	0	0	0	110.8	W59 E90 D91 C92 A244	W59-Y88 VanDerWaalsContact CD1-C 3.46Å; Y88-E90 VanDerWaalsContact C-N 3.31Å; Y88-D91 VanDerWaalsContact CD2-OD2 3.27Å; Y88-D91 WeakPolarHBondContact CD2-OD2 3.38Å; Y88-D91 PolarHBondContact O-N 3.45Å; Y88-C92 PolarHBondContact O-N 3.33Å; Y88-A244 WeakPolarHBondContact CE1-O 3.34Å
89	Q	93.4	Very high	84.5	Confident	74 Å²	74	59.5 Å²	59.5	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176.9	-177	175.3	-14.4	0	0	110.4	W59 D91 C92 E93	W59-Q89 HydrophobicContact CD2-CB 3.93Å; W59-Q89 HydrophobicContact CD2-CG 4.37Å; W59-Q89 HydrophobicContact CE3-CB 4.06Å; W59-Q89 HydrophobicContact CE3-CG 3.98Å; W59-Q89 HydrophobicContact CH2-CB 3.69Å; W59-Q89 HydrophobicContact CH2-CG 3.7Å; W59-Q89 VanDerWaalsContact CH2-OE1 3.28Å; W59-Q89 HydrophobicContact CZ2-CB 3.58Å; W59-Q89 HydrophobicContact CZ2-CG 4.14Å; W59-Q89 HydrophobicContact CZ3-CB 3.93Å; W59-Q89 HydrophobicContact CZ3-CG 3.62Å; Q89-D91 PolarHBondContact O-N 3.48Å; Q89-C92 WeakPolarHBondContact O-CA 3.45Å; Q89-C92 WeakPolarHBondContact O-CB 3.37Å; Q89-C92 PolarHBondContact O-N 2.79Å; Q89-E93 HydrophobicContact CG-CG 4.33Å; Q89-E93 PolarHBondContact NE2-OE1 2.91Å; Q89-E93 WeakPolarHBondContact O-CG 3.25Å; Q89-E93 PolarHBondContact O-N 3.3Å
90	E	91	Very high	85.4	Confident	107 Å²	107	59.8 Å²	59.8	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-36	-177.7	-61.8	79.4	-176.1	0	0	111.5	Y88 T94	Y88-E90 VanDerWaalsContact C-N 3.31Å; E90-T94 WeakPolarHBondContact O-CB 3.05Å; E90-T94 PolarHBondContact O-N 3.4Å; E90-T94 PolarHBondContact O-OG1 2.95Å
91	D	91.3	Very high	86.7	Confident	42 Å²	42	61.9 Å²	61.9	23%	0.225	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-46.2	173.3	-68.8	-14.9	0	0	0	110.1	L86 Y88 Q89 E93 T94 Y95	L86-D91 HydrophobicContact CD2-CB 3.87Å; Y88-D91 VanDerWaalsContact CD2-OD2 3.27Å; Y88-D91 WeakPolarHBondContact CD2-OD2 3.38Å; Y88-D91 PolarHBondContact O-N 3.45Å; Q89-D91 PolarHBondContact O-N 3.48Å; D91-E93 PolarHBondContact O-N 3.41Å; D91-T94 PolarHBondContact O-N 3.49Å; D91-Y95 HydrophobicContact CB-CD2 3.92Å; D91-Y95 HydrophobicContact CB-CE2 4.01Å; D91-Y95 WeakPolarHBondContact O-CB 3.19Å; D91-Y95 WeakPolarHBondContact O-CD2 3.31Å; D91-Y95 PolarHBondContact O-N 2.9Å
92	C	94.8	Very high	87.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-47.3	176.3	175	0	0	0	0	112.3	W59 C66 L86 Y88 Q89 T94 C96 I97	W59-C92 HydrophobicContact CB-CB 3.78Å; C66-C92 HydrophobicContact CB-CB 3.87Å; C66-C92 WeakPolarHBondContact CB-SG 3.34Å; C66-C92 WeakPolarHBondContact SG-CB 3.3Å; C66-C92 CovalentContact SG-SG 2.05Å; C66-C92 PolarHBondContact SG-SG 3.44Å; L86-C92 HydrophobicContact CD1-CB 4.04Å; Y88-C92 PolarHBondContact O-N 3.33Å; Q89-C92 WeakPolarHBondContact O-CA 3.45Å; Q89-C92 WeakPolarHBondContact O-CB 3.37Å; Q89-C92 PolarHBondContact O-N 2.79Å; C92-T94 VanDerWaalsContact C-N 3.27Å; C92-T94 PolarHBondContact O-N 2.9Å; C92-C96 WeakPolarHBondContact O-CA 2.94Å; C92-C96 WeakPolarHBondContact O-CB 3.12Å; C92-C96 PolarHBondContact O-N 2.91Å; C92-I97 PolarHBondContact O-N 3.42Å
93	E	94.2	Very high	88.5	Confident	69 Å²	69	60.6 Å²	60.6	32%	0.322	28%	0.283	S	S	.	.	I	π-helix	trans	-62.7	-39.4	179	-67.5	178	179.3	0	0	111.1	C66 Q89 D91 I97 R98	C66-E93 HydrophobicContact CB-CG 4.33Å; C66-E93 PolarHBondContact SG-N 3.35Å; Q89-E93 HydrophobicContact CG-CG 4.33Å; Q89-E93 PolarHBondContact NE2-OE1 2.91Å; Q89-E93 WeakPolarHBondContact O-CG 3.25Å; Q89-E93 PolarHBondContact O-N 3.3Å; D91-E93 PolarHBondContact O-N 3.41Å; E93-I97 HydrophobicContact CB-CD1 4.45Å; E93-I97 HydrophobicContact CG-CD1 4.17Å; E93-I97 WeakPolarHBondContact O-CB 3.37Å; E93-I97 PolarHBondContact O-N 3.36Å; E93-R98 PolarHBondContact O-N 3.48Å; E93-R98 VanDerWaalsContact O-N 3.07Å
94	T	90.7	Very high	88.8	Confident	51 Å²	51	63 Å²	63	31%	0.313	30%	0.304	S	S	.	.	I	π-helix	trans	-71.4	-50.2	-179.6	-61.5	0	0	0	0	112	E90 D91 C92 R98	E90-T94 WeakPolarHBondContact O-CB 3.05Å; E90-T94 PolarHBondContact O-N 3.4Å; E90-T94 PolarHBondContact O-OG1 2.95Å; D91-T94 PolarHBondContact O-N 3.49Å; C92-T94 VanDerWaalsContact C-N 3.27Å; C92-T94 PolarHBondContact O-N 2.9Å; T94-R98 WeakPolarHBondContact O-CB 3.38Å; T94-R98 PolarHBondContact OG1-NH1 3.36Å
95	Y	90.7	Very high	88.8	Confident	78 Å²	78	64.7 Å²	64.7	31%	0.306	31%	0.31	S	S	.	.	I	π-helix	trans	-83.4	-33.1	-173.7	-67.3	-66.4	0	0	0	113.1	T31 Y36 L86 D91 H99	T31-Y95 PolarHBondContact OG1-OH 2.96Å; Y36-Y95 HydrophobicContact CD2-CD2 4.18Å; Y36-Y95 HydrophobicContact CD2-CE2 4.14Å; Y36-Y95 HydrophobicContact CE2-CE2 4.15Å; L86-Y95 HydrophobicContact CD2-CD2 3.94Å; D91-Y95 HydrophobicContact CB-CD2 3.92Å; D91-Y95 HydrophobicContact CB-CE2 4.01Å; D91-Y95 WeakPolarHBondContact O-CB 3.19Å; D91-Y95 WeakPolarHBondContact O-CD2 3.31Å; D91-Y95 PolarHBondContact O-N 2.9Å; Y95-H99 WeakPolarHBondContact O-CB 3.28Å
96	C	93.6	Very high	88.5	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	33%	0.332	C	S	.	.	I	π-helix	trans	-96.2	-55.8	-175.3	-54.3	0	0	0	0	111.2	C38 L61 L86 C92 E100	C38-C96 WeakPolarHBondContact CA-SG 3.48Å; C38-C96 HydrophobicContact CB-CB 3.72Å; C38-C96 WeakPolarHBondContact CB-SG 3.34Å; C38-C96 WeakPolarHBondContact SG-CA 3.44Å; C38-C96 WeakPolarHBondContact SG-CB 3.43Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 3.05Å; L61-C96 HydrophobicContact CB-CB 3.87Å; L61-C96 HydrophobicContact CD1-CB 4.38Å; L61-C96 HydrophobicContact CD2-CB 3.93Å; L61-C96 HydrophobicContact CG-CB 4.29Å; L86-C96 WeakPolarHBondContact CD1-SG 3.35Å; C92-C96 WeakPolarHBondContact O-CA 2.94Å; C92-C96 WeakPolarHBondContact O-CB 3.12Å; C92-C96 PolarHBondContact O-N 2.91Å; C96-E100 VanDerWaalsContact O-CB 3.24Å; C96-E100 WeakPolarHBondContact O-CB 2.96Å; C96-E100 WeakPolarHBondContact O-CG 3.42Å; C96-E100 PolarHBondContact O-N 3.27Å
97	I	92.4	Very high	88.2	Confident	31 Å²	31	77.1 Å²	77.1	16%	0.159	36%	0.363	C	S	.	.	I	π-helix	trans	-73.1	-50.7	-174.1	-58.3	177.6	0	0	0	111.4	L61 C92 E93 H99 E100 K101	L61-I97 HydrophobicContact CD1-CD1 4.12Å; L61-I97 HydrophobicContact CD1-CG1 3.5Å; L61-I97 VanDerWaalsContact CD1-CG1 3.5Å; C92-I97 PolarHBondContact O-N 3.42Å; E93-I97 HydrophobicContact CB-CD1 4.45Å; E93-I97 HydrophobicContact CG-CD1 4.17Å; E93-I97 WeakPolarHBondContact O-CB 3.37Å; E93-I97 PolarHBondContact O-N 3.36Å; I97-H99 PolarHBondContact O-N 3.18Å; I97-E100 PolarHBondContact O-N 3.5Å; I97-K101 HydrophobicContact CG2-CD 4.09Å; I97-K101 WeakPolarHBondContact O-CG 3.27Å; I97-K101 PolarHBondContact O-N 3.33Å
98	R	87.7	Confident	88.1	Confident	149 Å²	149	81.7 Å²	81.7	56%	0.562	39%	0.386	S	S	*	.	I	π-helix	trans	-66.1	-41.2	-177.2	-61.4	-179.7	-173.7	159.7	3.7	111.4	E93 T94 K101 V102	E93-R98 PolarHBondContact O-N 3.48Å; E93-R98 VanDerWaalsContact O-N 3.07Å; T94-R98 WeakPolarHBondContact O-CB 3.38Å; T94-R98 PolarHBondContact OG1-NH1 3.36Å; R98-K101 PolarHBondContact O-N 3.33Å; R98-V102 WeakPolarHBondContact O-CG2 3.45Å; R98-V102 PolarHBondContact O-N 3.49Å
99	H	81.3	Confident	88	Confident	124 Å²	124	85.2 Å²	85.2	57%	0.574	40%	0.403	S	S	*	.	H	α-helix	trans	-66.9	-40.8	179.8	-155.8	-95.9	0	0	0	111.6	Y95 I97 K101 V102 V103	Y95-H99 WeakPolarHBondContact O-CB 3.28Å; I97-H99 PolarHBondContact O-N 3.18Å; H99-K101 PolarHBondContact O-N 2.05Å; H99-V102 PolarHBondContact O-N 3.05Å; H99-V103 WeakPolarHBondContact O-CB 3.41Å; H99-V103 VanDerWaalsContact O-CG2 3.26Å; H99-V103 WeakPolarHBondContact O-CG2 3.16Å; H99-V103 PolarHBondContact O-N 2.85Å
100	E	80.2	Confident	87.8	Confident	109 Å²	109	86.3 Å²	86.3	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-61.9	-41.7	173.2	-79.3	-172.3	176.2	0	0	112.7	L61 C96 I97 V102 V103 A104	L61-E100 HydrophobicContact CD2-CG 4.46Å; L61-E100 VanDerWaalsContact CD2-OE1 3.31Å; L61-E100 WeakPolarHBondContact CD2-OE1 3.47Å; L61-E100 WeakPolarHBondContact CD2-OE2 3.27Å; C96-E100 VanDerWaalsContact O-CB 3.24Å; C96-E100 WeakPolarHBondContact O-CB 2.96Å; C96-E100 WeakPolarHBondContact O-CG 3.42Å; C96-E100 PolarHBondContact O-N 3.27Å; I97-E100 PolarHBondContact O-N 3.5Å; E100-V102 PolarHBondContact O-N 3.48Å; E100-V103 PolarHBondContact O-N 2.94Å; E100-A104 VanDerWaalsContact O-CB 3.27Å; E100-A104 WeakPolarHBondContact O-CB 3.36Å; E100-A104 PolarHBondContact O-N 2.84Å
101	K	84.6	Confident	87.8	Confident	146 Å²	146	88.1 Å²	88.1	64%	0.635	42%	0.422	S	S	*	.	H	α-helix	trans	-62	-42.5	175.9	-74.6	176.7	-179.9	177.1	0	112.1	I97 R98 H99 A104 K105	I97-K101 HydrophobicContact CG2-CD 4.09Å; I97-K101 WeakPolarHBondContact O-CG 3.27Å; I97-K101 PolarHBondContact O-N 3.33Å; R98-K101 PolarHBondContact O-N 3.33Å; H99-K101 PolarHBondContact O-N 2.05Å; K101-A104 PolarHBondContact O-N 3.07Å; K101-K105 WeakPolarHBondContact O-CB 3.48Å; K101-K105 PolarHBondContact O-N 3.31Å
102	V	81.7	Confident	87.9	Confident	78 Å²	78	89.2 Å²	89.2	47%	0.473	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-45.3	176	172	0	0	0	0	110.6	R98 H99 E100 A104 K105 N106	R98-V102 WeakPolarHBondContact O-CG2 3.45Å; R98-V102 PolarHBondContact O-N 3.49Å; H99-V102 PolarHBondContact O-N 3.05Å; E100-V102 PolarHBondContact O-N 3.48Å; V102-A104 PolarHBondContact O-N 2.74Å; V102-K105 PolarHBondContact O-N 2.73Å; V102-N106 WeakPolarHBondContact O-CB 2.98Å; V102-N106 PolarHBondContact O-N 2.84Å; V102-N106 PolarHBondContact O-ND2 2.99Å
103	V	80.1	Confident	87.7	Confident	52 Å²	52	91.9 Å²	91.9	32%	0.315	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-41.9	177.3	171.4	0	0	0	0	111.4	H99 E100 N106 R107	H99-V103 WeakPolarHBondContact O-CB 3.41Å; H99-V103 VanDerWaalsContact O-CG2 3.26Å; H99-V103 WeakPolarHBondContact O-CG2 3.16Å; H99-V103 PolarHBondContact O-N 2.85Å; E100-V103 PolarHBondContact O-N 2.94Å; V103-N106 PolarHBondContact O-N 2.88Å; V103-R107 HydrophobicContact CG1-CG 4.5Å; V103-R107 WeakPolarHBondContact O-CB 3.26Å; V103-R107 VanDerWaalsContact O-CG 3.3Å; V103-R107 WeakPolarHBondContact O-CG 3.04Å; V103-R107 PolarHBondContact O-N 2.92Å
104	A	84.4	Confident	87.6	Confident	55 Å²	55	96.4 Å²	96.4	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-47.5	177	0	0	0	0	0	111.5	E100 K101 V102 N106 R107 E108	E100-A104 VanDerWaalsContact O-CB 3.27Å; E100-A104 WeakPolarHBondContact O-CB 3.36Å; E100-A104 PolarHBondContact O-N 2.84Å; K101-A104 PolarHBondContact O-N 3.07Å; V102-A104 PolarHBondContact O-N 2.74Å; A104-N106 VanDerWaalsContact C-N 3.35Å; A104-N106 PolarHBondContact O-N 3.43Å; A104-R107 WeakPolarHBondContact O-CB 3.36Å; A104-R107 PolarHBondContact O-N 3.29Å; A104-E108 PolarHBondContact O-N 3.4Å
105	K	87	Confident	87.8	Confident	123 Å²	123	98.6 Å²	98.6	54%	0.535	48%	0.476	S	S	.	.	H	α-helix	trans	-60.5	-43.1	176.1	-173	178	-179.3	-179	0	112	K101 V102 E108 H109	K101-K105 WeakPolarHBondContact O-CB 3.48Å; K101-K105 PolarHBondContact O-N 3.31Å; V102-K105 PolarHBondContact O-N 2.73Å; K105-E108 PolarHBondContact O-N 2.82Å; K105-H109 PolarHBondContact O-CD2 3.08Å; K105-H109 PolarHBondContact O-N 2.9Å
106	N	84.3	Confident	87.9	Confident	89 Å²	89	100.9 Å²	100.9	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-39	176.8	-72.5	-13.8	0	0	0	111.9	V102 V103 A104 E108 H109 T110	V102-N106 WeakPolarHBondContact O-CB 2.98Å; V102-N106 PolarHBondContact O-N 2.84Å; V102-N106 PolarHBondContact O-ND2 2.99Å; V103-N106 PolarHBondContact O-N 2.88Å; A104-N106 VanDerWaalsContact C-N 3.35Å; A104-N106 PolarHBondContact O-N 3.43Å; N106-E108 VanDerWaalsContact C-N 3.34Å; N106-H109 PolarHBondContact O-N 2.03Å; N106-T110 WeakPolarHBondContact O-CB 3.34Å; N106-T110 PolarHBondContact O-N 2.9Å; N106-T110 PolarHBondContact O-OG1 3.46Å
107	R	86.9	Confident	87.9	Confident	173 Å²	173	107.4 Å²	107.4	65%	0.653	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-40.9	174	-76.7	175.1	178.2	-178.6	1.2	111.7	V103 A104 T110 K111	V103-R107 HydrophobicContact CG1-CG 4.5Å; V103-R107 WeakPolarHBondContact O-CB 3.26Å; V103-R107 VanDerWaalsContact O-CG 3.3Å; V103-R107 WeakPolarHBondContact O-CG 3.04Å; V103-R107 PolarHBondContact O-N 2.92Å; A104-R107 WeakPolarHBondContact O-CB 3.36Å; A104-R107 PolarHBondContact O-N 3.29Å; R107-T110 PolarHBondContact O-N 3.15Å; R107-K111 VanDerWaalsContact O-CG 3.32Å; R107-K111 WeakPolarHBondContact O-CG 3.33Å; R107-K111 PolarHBondContact O-N 3.21Å
108	E	89	Confident	88	Confident	127 Å²	127	109.5 Å²	109.5	59%	0.593	53%	0.527	S	S	*	.	H	α-helix	trans	-65.7	-47	176.3	-172.5	175.3	-174.9	0	0	111.7	A104 K105 N106 T110 K111 T112	A104-E108 PolarHBondContact O-N 3.4Å; K105-E108 PolarHBondContact O-N 2.82Å; N106-E108 VanDerWaalsContact C-N 3.34Å; E108-T110 VanDerWaalsContact C-N 3.32Å; E108-T110 PolarHBondContact O-N 2.78Å; E108-K111 PolarHBondContact O-N 2.93Å; E108-T112 PolarHBondContact O-N 3.44Å; E108-T112 PolarHBondContact O-OG1 3.21Å; E108-T112 VanDerWaalsContact O-OG1 3.13Å
109	H	88.2	Confident	88.3	Confident	111 Å²	111	106.6 Å²	106.6	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-56.8	-44.6	174.7	-78.4	-156.1	0	0	0	111.8	K105 N106 T112 A113	K105-H109 PolarHBondContact O-CD2 3.08Å; K105-H109 PolarHBondContact O-N 2.9Å; N106-H109 PolarHBondContact O-N 2.03Å; H109-T112 PolarHBondContact O-N 3.09Å; H109-A113 WeakPolarHBondContact O-CB 3.5Å; H109-A113 PolarHBondContact O-N 3.33Å
110	T	89.2	Confident	88.9	Confident	98 Å²	98	107.4 Å²	107.4	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-65.1	-39.7	177.5	-60.1	0	0	0	0	112.3	N106 R107 E108 R114	N106-T110 WeakPolarHBondContact O-CB 3.34Å; N106-T110 PolarHBondContact O-N 2.9Å; N106-T110 PolarHBondContact O-OG1 3.46Å; R107-T110 PolarHBondContact O-N 3.15Å; E108-T110 VanDerWaalsContact C-N 3.32Å; E108-T110 PolarHBondContact O-N 2.78Å; T110-R114 WeakPolarHBondContact O-CB 2.92Å; T110-R114 PolarHBondContact O-N 3.28Å
111	K	92.2	Very high	89.5	Confident	145 Å²	145	104.1 Å²	104.1	63%	0.63	51%	0.509	S	S	*	.	H	α-helix	trans	-62.2	-45.9	173.8	-76.3	175.5	-179.7	-177.2	0	111.3	R107 E108 R114 N115	R107-K111 VanDerWaalsContact O-CG 3.32Å; R107-K111 WeakPolarHBondContact O-CG 3.33Å; R107-K111 PolarHBondContact O-N 3.21Å; E108-K111 PolarHBondContact O-N 2.93Å; K111-R114 PolarHBondContact O-N 2.84Å; K111-N115 VanDerWaalsContact O-CG 3.23Å; K111-N115 PolarHBondContact O-N 3.17Å; K111-N115 PolarHBondContact O-ND2 2.96Å
112	T	92.8	Very high	89.9	Confident	65 Å²	65	104.8 Å²	104.8	40%	0.399	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-46.2	178.4	-61.3	0	0	0	0	111.6	E108 H109 R114 N115 Q116	E108-T112 PolarHBondContact O-N 3.44Å; E108-T112 PolarHBondContact O-OG1 3.21Å; E108-T112 VanDerWaalsContact O-OG1 3.13Å; H109-T112 PolarHBondContact O-N 3.09Å; T112-R114 VanDerWaalsContact C-N 3.34Å; T112-R114 PolarHBondContact O-N 3.39Å; T112-N115 PolarHBondContact O-N 2.71Å; T112-Q116 WeakPolarHBondContact O-CG 3.44Å; T112-Q116 PolarHBondContact O-N 3.42Å
113	A	90.3	Very high	90.4	Very high	55 Å²	55	108.1 Å²	108.1	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-41.4	177.1	0	0	0	0	0	112.2	H109 Q116 F117	H109-A113 WeakPolarHBondContact O-CB 3.5Å; H109-A113 PolarHBondContact O-N 3.33Å; A113-Q116 PolarHBondContact O-N 2.82Å; A113-F117 WeakPolarHBondContact O-CB 3.41Å; A113-F117 PolarHBondContact O-N 3.34Å
114	R	93.3	Very high	90.8	Very high	165 Å²	165	107.3 Å²	107.3	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-45.8	175	-178.7	-178.9	144.9	174.9	-9.7	111.8	T110 K111 T112 Q116 F117 E118	T110-R114 WeakPolarHBondContact O-CB 2.92Å; T110-R114 PolarHBondContact O-N 3.28Å; K111-R114 PolarHBondContact O-N 2.84Å; T112-R114 VanDerWaalsContact C-N 3.34Å; T112-R114 PolarHBondContact O-N 3.39Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-Q116 PolarHBondContact O-N 2.86Å; R114-F117 PolarHBondContact O-N 3.38Å; R114-E118 IonicContact CZ-OE1 3.93Å; R114-E118 IonicContact NE-OE1 3.84Å; R114-E118 PolarHBondContact NE-OE1 3.23Å; R114-E118 IonicContact NH2-OE1 3.71Å; R114-E118 PolarHBondContact NH2-OE1 2.87Å; R114-E118 WeakPolarHBondContact O-CG 3.26Å; R114-E118 PolarHBondContact O-N 2.85Å
115	N	93.6	Very high	91	Very high	97 Å²	97	113.4 Å²	113.4	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-42.1	177.8	-70.1	-13.9	0	0	0	111.8	K111 T112 E118 E119	K111-N115 VanDerWaalsContact O-CG 3.23Å; K111-N115 PolarHBondContact O-N 3.17Å; K111-N115 PolarHBondContact O-ND2 2.96Å; T112-N115 PolarHBondContact O-N 2.71Å; N115-E118 PolarHBondContact O-N 3.5Å; N115-E119 WeakPolarHBondContact O-CB 3.41Å; N115-E119 PolarHBondContact O-N 3.11Å
116	Q	94.1	Very high	90.9	Very high	125 Å²	125	113.3 Å²	113.3	58%	0.584	53%	0.527	S	S	*	.	H	α-helix	trans	-63	-40.9	175.7	-73.3	178.5	-8.9	0	0	112.1	T112 A113 R114 E119 F120	T112-Q116 WeakPolarHBondContact O-CG 3.44Å; T112-Q116 PolarHBondContact O-N 3.42Å; A113-Q116 PolarHBondContact O-N 2.82Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-Q116 PolarHBondContact O-N 2.86Å; Q116-E119 PolarHBondContact O-N 2.88Å; Q116-F120 WeakPolarHBondContact O-CB 3.45Å; Q116-F120 PolarHBondContact O-N 2.9Å
117	F	93.5	Very high	90.6	Very high	138 Å²	138	119.1 Å²	119.1	61%	0.605	54%	0.542	S	S	*	.	H	α-helix	trans	-66.2	-42.3	176.8	-177.8	-99.1	0	0	0	112.5	A113 R114 E119 F120 T121	A113-F117 WeakPolarHBondContact O-CB 3.41Å; A113-F117 PolarHBondContact O-N 3.34Å; R114-F117 PolarHBondContact O-N 3.38Å; F117-E119 VanDerWaalsContact C-N 3.35Å; F117-F120 PolarHBondContact O-N 2.82Å; F117-T121 WeakPolarHBondContact O-CB 3.44Å; F117-T121 PolarHBondContact O-N 2.87Å; F117-T121 PolarHBondContact O-OG1 2.95Å
118	E	93.8	Very high	89.8	Confident	75 Å²	75	119.3 Å²	119.3	35%	0.35	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-40.8	174.9	-73.2	177.6	-165.2	0	0	111.5	R114 N115 T121 R122	R114-E118 IonicContact CZ-OE1 3.93Å; R114-E118 IonicContact NE-OE1 3.84Å; R114-E118 PolarHBondContact NE-OE1 3.23Å; R114-E118 IonicContact NH2-OE1 3.71Å; R114-E118 PolarHBondContact NH2-OE1 2.87Å; R114-E118 WeakPolarHBondContact O-CG 3.26Å; R114-E118 PolarHBondContact O-N 2.85Å; N115-E118 PolarHBondContact O-N 3.5Å; E118-T121 PolarHBondContact O-N 2.96Å; E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 PolarHBondContact O-N 2.83Å
119	E	94.3	Very high	88.4	Confident	88 Å²	88	117.2 Å²	117.2	41%	0.411	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-45.2	175.8	-172.8	179.3	-173.4	0	0	112.1	N115 Q116 F117 T121 R122 R123	N115-E119 WeakPolarHBondContact O-CB 3.41Å; N115-E119 PolarHBondContact O-N 3.11Å; Q116-E119 PolarHBondContact O-N 2.88Å; F117-E119 VanDerWaalsContact C-N 3.35Å; E119-T121 VanDerWaalsContact C-N 3.32Å; E119-T121 PolarHBondContact O-N 2.97Å; E119-R122 PolarHBondContact O-N 2.9Å; E119-R123 WeakPolarHBondContact O-CG 3.43Å; E119-R123 PolarHBondContact O-N 3.18Å; E119-R123 IonicContact OE1-CZ 3.26Å; E119-R123 VanDerWaalsContact OE1-CZ 3.26Å; E119-R123 IonicContact OE1-NE 3.57Å; E119-R123 PolarHBondContact OE1-NE 2.87Å; E119-R123 IonicContact OE1-NH2 2.63Å; E119-R123 PolarHBondContact OE1-NH2 3.36Å
120	F	93.7	Very high	87.1	Confident	142 Å²	142	117.3 Å²	117.3	62%	0.623	56%	0.558	S	S	*	*	H	α-helix	trans	-56.9	-47.2	174.1	175.1	-95.6	0	0	0	111.2	Q116 F117 R122 R123 A124	Q116-F120 WeakPolarHBondContact O-CB 3.45Å; Q116-F120 PolarHBondContact O-N 2.9Å; F117-F120 PolarHBondContact O-N 2.82Å; F120-R122 VanDerWaalsContact C-N 3.34Å; F120-R122 PolarHBondContact O-N 3.3Å; F120-R123 PolarHBondContact O-N 3.39Å; F120-A124 WeakPolarHBondContact O-CB 3.38Å; F120-A124 PolarHBondContact O-N 3.43Å
121	T	92.7	Very high	85.6	Confident	39 Å²	39	124.3 Å²	124.3	24%	0.239	57%	0.573	C	S	.	*	H	α-helix	trans	-62.2	-40.5	178.6	-57.6	0	0	0	0	111.7	F117 E118 E119 A124 R125	F117-T121 WeakPolarHBondContact O-CB 3.44Å; F117-T121 PolarHBondContact O-N 2.87Å; F117-T121 PolarHBondContact O-OG1 2.95Å; E118-T121 PolarHBondContact O-N 2.96Å; E119-T121 VanDerWaalsContact C-N 3.32Å; E119-T121 PolarHBondContact O-N 2.97Å; T121-A124 PolarHBondContact O-N 3.27Å; T121-R125 WeakPolarHBondContact O-CG 3.48Å; T121-R125 PolarHBondContact O-N 2.04Å
122	R	92.8	Very high	83.9	Confident	160 Å²	160	122 Å²	122	60%	0.604	58%	0.582	S	S	*	*	H	α-helix	trans	-63.8	-45.4	175.9	-168.7	-173.6	-56.9	176.3	2.9	111.8	E118 E119 F120 A124 R125 N126	E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 PolarHBondContact O-N 2.83Å; E119-R122 PolarHBondContact O-N 2.9Å; F120-R122 VanDerWaalsContact C-N 3.34Å; F120-R122 PolarHBondContact O-N 3.3Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 3.25Å; R122-R125 PolarHBondContact O-N 2.81Å; R122-N126 PolarHBondContact O-N 2.67Å; R122-N126 VanDerWaalsContact O-N 3.08Å
123	R	92	Very high	82.1	Confident	149 Å²	149	121.8 Å²	121.8	56%	0.562	59%	0.592	S	S	*	*	H	α-helix	trans	-62.4	-39.3	176.3	-70.9	176.9	-175.1	-176.9	-0	111.6	E119 F120 N126 R127	E119-R123 WeakPolarHBondContact O-CG 3.43Å; E119-R123 PolarHBondContact O-N 3.18Å; E119-R123 IonicContact OE1-CZ 3.26Å; E119-R123 VanDerWaalsContact OE1-CZ 3.26Å; E119-R123 IonicContact OE1-NE 3.57Å; E119-R123 PolarHBondContact OE1-NE 2.87Å; E119-R123 IonicContact OE1-NH2 2.63Å; E119-R123 PolarHBondContact OE1-NH2 3.36Å; F120-R123 PolarHBondContact O-N 3.39Å; R123-N126 PolarHBondContact O-N 2.8Å; R123-R127 PolarHBondContact O-N 3.11Å
124	A	89.7	Confident	80.5	Confident	35 Å²	35	124.5 Å²	124.5	29%	0.289	61%	0.608	S	S	.	*	H	α-helix	trans	-62.4	-48.2	175.7	0	0	0	0	0	111.5	F120 T121 R122 N126 R127 F128	F120-A124 WeakPolarHBondContact O-CB 3.38Å; F120-A124 PolarHBondContact O-N 3.43Å; T121-A124 PolarHBondContact O-N 3.27Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 3.25Å; A124-N126 VanDerWaalsContact C-N 3.33Å; A124-N126 PolarHBondContact O-N 2.9Å; A124-R127 PolarHBondContact O-N 3.42Å; A124-F128 VanDerWaalsContact O-CD2 3.28Å; A124-F128 WeakPolarHBondContact O-CD2 3.22Å; A124-F128 PolarHBondContact O-N 2.67Å
125	R	88.3	Confident	78.9	Confident	183 Å²	183	124.1 Å²	124.1	69%	0.691	62%	0.618	S	S	*	*	H	α-helix	trans	-58.9	-42.2	176.7	-70.6	-178.2	-163.3	167.6	5	112.8	T121 R122 R127 F128 S129	T121-R125 WeakPolarHBondContact O-CG 3.48Å; T121-R125 PolarHBondContact O-N 2.04Å; R122-R125 PolarHBondContact O-N 2.81Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 2.98Å; R125-F128 PolarHBondContact O-N 2.95Å; R125-S129 PolarHBondContact O-N 2.87Å
126	N	83.9	Confident	77	Confident	120 Å²	120	130 Å²	130	64%	0.642	63%	0.633	S	S	*	*	H	α-helix	trans	-68.3	-27.3	-179.9	-70.2	-6.9	0	0	0	113.3	R122 R123 A124	R122-N126 PolarHBondContact O-N 2.67Å; R122-N126 VanDerWaalsContact O-N 3.08Å; R123-N126 PolarHBondContact O-N 2.8Å; A124-N126 VanDerWaalsContact C-N 3.33Å; A124-N126 PolarHBondContact O-N 2.9Å
127	R	79.5	Confident	75.2	Confident	212 Å²	212	131 Å²	131	80%	0.8	64%	0.642	S	S	*	*	H	α-helix	trans	-73.8	-29.6	175.4	-76.4	-174.8	-172.3	-178.2	2.5	113.4	R123 A124 R125	R123-R127 PolarHBondContact O-N 3.11Å; A124-R127 PolarHBondContact O-N 3.42Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 2.98Å
128	F	68.6	Low	73.5	Confident	177 Å²	177	131.2 Å²	131.2	78%	0.776	65%	0.65	S	S	*	*	S	Bend	trans	-93.2	3	179.7	-73.2	-74.5	0	0	0	113.5	A124 R125 P130	A124-F128 VanDerWaalsContact O-CD2 3.28Å; A124-F128 WeakPolarHBondContact O-CD2 3.22Å; A124-F128 PolarHBondContact O-N 2.67Å; R125-F128 PolarHBondContact O-N 2.95Å; F128-P130 WeakPolarHBondContact O-CD 3.4Å; F128-P130 VanDerWaalsContact O-N 3.11Å
129	S	59.3	Low	71.8	Confident	83 Å²	83	138.6 Å²	138.6	58%	0.58	68%	0.676	S	S	*	*	S	Bend	trans	-65.5	111.8	167.1	-161.5	0	0	0	0	107	R125 R131	R125-S129 PolarHBondContact O-N 2.87Å; S129-R131 PolarHBondContact O-N 3.42Å
130	P	61.8	Low	69.8	Low	112 Å²	112	138.9 Å²	138.9	73%	0.727	69%	0.693	S	S	*	*			trans	-55.9	121.4	175	-16.6	30.3	0	0	0	105.6	F128 A132	F128-P130 WeakPolarHBondContact O-CD 3.4Å; F128-P130 VanDerWaalsContact O-N 3.11Å; P130-A132 VanDerWaalsContact C-N 3.26Å; P130-A132 PolarHBondContact O-N 3.4Å
131	R	57.6	Low	67.7	Low	245 Å²	245	136.8 Å²	136.8	93%	0.925	70%	0.702	S	S	*	*			trans	-55.2	109.6	157.8	-90.4	-179.4	173.4	170	-3	103.6	S129 G133	S129-R131 PolarHBondContact O-N 3.42Å; R131-G133 PolarHBondContact O-N 2.85Å
132	A	55.8	Low	65.9	Low	98 Å²	98	143.9 Å²	143.9	81%	0.81	73%	0.732	S	S	*	*			trans	-60.5	81.3	158.4	0	0	0	0	0	105	P130 S134	P130-A132 VanDerWaalsContact C-N 3.26Å; P130-A132 PolarHBondContact O-N 3.4Å; A132-S134 PolarHBondContact O-N 3.42Å
133	G	55.3	Low	63.8	Low	59 Å²	59	144.3 Å²	144.3	61%	0.608	74%	0.741	S	S	*	*			trans	-64.4	95.8	162.2	0	0	0	0	0	104.3	R131 D135	R131-G133 PolarHBondContact O-N 2.85Å; G133-D135 PolarHBondContact O-N 3.36Å
134	S	58.1	Low	62.1	Low	113 Å²	113	143.2 Å²	143.2	79%	0.79	75%	0.754	S	S	*	*			trans	-64.9	70.6	161.3	59.9	0	0	0	0	107.8	A132	A132-S134 PolarHBondContact O-N 3.42Å
135	D	58.4	Low	60.2	Low	156 Å²	156	146.1 Å²	146.1	83%	0.834	77%	0.772	S	S	*	*			trans	-133.4	67.9	167.5	-83.6	-34.7	0	0	0	106	G133	G133-D135 PolarHBondContact O-N 3.36Å
136	R	53.1	Low	58.2	Low	222 Å²	222	142.5 Å²	142.5	84%	0.838	78%	0.781	S	S	*	*			trans	-148.4	63.6	164.6	-140.5	177.9	170.8	175.4	-4.1	110.7
137	D	57.3	Low	56.4	Low	146 Å²	146	140.9 Å²	140.9	78%	0.781	79%	0.792	S	S	*	*			trans	-67.7	134.6	151.6	-71.9	-34.7	0	0	0	108.9
138	N	57.2	Low	54.5	Low	142 Å²	142	134 Å²	134	76%	0.759	79%	0.787	S	S	*	*			trans	66	83.5	158.1	-60.9	-38.5	0	0	0	118.5
139	Y	57.6	Low	53.7	Low	229 Å²	229	137.1 Å²	137.1	90%	0.898	80%	0.796	S	S	*	*				-147.5	115.8	128.9	-94.5	-76.3	0	0	0	109.3
140	A	52.6	Low	52.8	Low	94 Å²	94	136.7 Å²	136.7	78%	0.777	80%	0.804	S	S	*	*			trans	-88.2	154.2	177.3	0	0	0	0	0	111.4
141	A	51.1	Low	51.7	Low	98 Å²	98	134.6 Å²	134.6	81%	0.81	80%	0.803	S	S	*	*			trans	72.4	135.1	163.9	0	0	0	0	0	114.7
142	E	54.1	Low	51.3	Low	188 Å²	188	133.6 Å²	133.6	88%	0.879	81%	0.806	S	S	*	*			cis	-148.2	152.9	24	-69	173.5	118.2	0	0	110.8
143	E	49.4	Very low	50.8	Low	169 Å²	169	133.9 Å²	133.9	79%	0.79	81%	0.808	S	S	*	*			trans	-68.9	154.8	163.3	-73.2	-152.9	139.6	0	0	111.5
144	P	55.1	Low	50.1	Low	127 Å²	127	134.5 Å²	134.5	83%	0.825	82%	0.815	S	S	*	*				-142.9	127.6	101.9	26.4	-6.5	0	0	0	115.6
145	S	51.2	Low	49.9	Very low	96 Å²	96	135 Å²	135	67%	0.671	82%	0.815	S	S	*	*			trans	22.2	120.7	131.9	-80.1	0	0	0	0	121.6
146	A	45.6	Very low	49.3	Very low	106 Å²	106	133.5 Å²	133.5	88%	0.876	82%	0.817	S	S	*	*				59.3	122.9	118.7	0	0	0	0	0	121.8
147	G	45	Very low	48.9	Very low	86 Å²	86	128.1 Å²	128.1	89%	0.887	82%	0.82	S	S	*	*			trans	125.1	125.9	161.9	0	0	0	0	0	110.4
148	G	41.4	Very low	48.3	Very low	67 Å²	67	124.2 Å²	124.2	69%	0.691	81%	0.814	S	S	*	*			cis	157	147.7	10	0	0	0	0	0	106.9
149	Y	50.1	Low	47.6	Very low	244 Å²	244	123.9 Å²	123.9	96%	0.957	82%	0.82	S	S	*	*			trans	70	131.1	156.7	-83.5	-94.4	0	0	0	122.2
150	G	41.8	Very low	46.7	Very low	74 Å²	74	118.5 Å²	118.5	76%	0.763	82%	0.816	S	S	*	*				109.2	93	127.9	0	0	0	0	0	116.1
151	G	38.6	Very low	46.7	Very low	67 Å²	67	119.7 Å²	119.7	69%	0.691	82%	0.815	S	S	*	*			trans	-73.8	167.7	170.2	0	0	0	0	0	113.7
152	F	48.5	Very low	46	Very low	224 Å²	224	121.4 Å²	121.4	98%	0.982	82%	0.818	S	S	*	*			trans	-155.1	146.1	145.4	-93.5	-74.5	0	0	0	109.5
153	A	45.7	Very low	45	Very low	104 Å²	104	115.6 Å²	115.6	86%	0.86	81%	0.808	S	S	*	*			trans	-84.7	164.5	-172.2	0	0	0	0	0	113.3
154	G	41.1	Very low	44.1	Very low	73 Å²	73	116.1 Å²	116.1	75%	0.753	81%	0.811	S	S	*	*			trans	127.9	152.8	140.9	0	0	0	0	0	117
155	P	53	Low	42.9	Very low	122 Å²	122	119.3 Å²	119.3	79%	0.792	81%	0.812	S	S	*	*				-127.5	170.8	-122.1	37.4	-22.7	0	0	0	113.6
156	S	45.7	Very low	41.7	Very low	125 Å²	125	118.9 Å²	118.9	87%	0.874	81%	0.809	S	S	*	*			trans	-174	148.4	154.8	-84.3	0	0	0	0	114
157	A	44.7	Very low	40.9	Very low	109 Å²	109	123.1 Å²	123.1	90%	0.901	81%	0.808	S	S	*	*			trans	83	122.1	176.8	0	0	0	0	0	115.3
158	G	44.6	Very low	40.3	Very low	64 Å²	64	127.1 Å²	127.1	66%	0.66	80%	0.804	S	S	*	*			cis	175.9	175.2	10.1	0	0	0	0	0	107.7
159	P	42.9	Very low	39.8	Very low	136 Å²	136	132.6 Å²	132.6	88%	0.883	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.1	137.1	-152.2	32.2	-34.3	0	0	0	114.8
160	S	39	Very low	39.2	Very low	116 Å²	116	126.3 Å²	126.3	81%	0.811	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.1	137.7	164	-60.5	0	0	0	0	110.7
161	P	51.4	Low	38.7	Very low	118 Å²	118	127.2 Å²	127.2	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.2	155.3	166.7	33	-29.8	0	0	0	111.5
162	P	37.8	Very low	38.6	Very low	135 Å²	135	131 Å²	131	88%	0.877	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87.3	157	-173.3	36	-33.3	0	0	0	111.9
163	G	32.4	Very low	37.7	Very low	65 Å²	65	124.3 Å²	124.3	67%	0.67	80%	0.799	S	S	*	*			trans	140	58.3	158.6	0	0	0	0	0	116	F165	G163-F165 PolarHBondContact O-N 3.06Å
164	H	30.2	Very low	37	Very low	181 Å²	181	122.6 Å²	122.6	84%	0.838	79%	0.791	S	S	*	*			trans	-67.5	102.3	158.7	-120.6	-91.7	0	0	0	108.2
165	F	29.4	Very low	36.5	Very low	193 Å²	193	131.6 Å²	131.6	85%	0.846	80%	0.802	S	S	*	*			trans	-98.4	92.1	155.6	-86.1	-81.5	0	0	0	107.5	G163 F167	G163-F165 PolarHBondContact O-N 3.06Å; F165-F167 PolarHBondContact O-N 2.89Å
166	S	27.7	Very low	35.5	Very low	87 Å²	87	129 Å²	129	61%	0.608	80%	0.798	S	S	*	*			trans	-66.2	110	158.9	-63.7	0	0	0	0	107.3
167	F	28.8	Very low	34.9	Very low	196 Å²	196	128.2 Å²	128.2	86%	0.86	79%	0.792	S	S	*	*			trans	-98.1	98.5	156.1	-126.9	-88.6	0	0	0	106.5	F165 H169	F165-F167 PolarHBondContact O-N 2.89Å; F167-H169 PolarHBondContact O-N 3.33Å
168	E	32.5	Very low	34.7	Very low	170 Å²	170	130.8 Å²	130.8	79%	0.794	79%	0.791	S	S	*	*			trans	-53	130.7	167.4	-70.5	174	123.9	0	0	109.1	P170	E168-P170 WeakPolarHBondContact O-CD 3.15Å
169	H	30.3	Very low	34.2	Very low	181 Å²	181	132.8 Å²	132.8	84%	0.838	80%	0.795	S	S	*	*			trans	-61.3	125.7	157.9	-72.2	-45.7	0	0	0	108.7	F167 A171	F167-H169 PolarHBondContact O-N 3.33Å; H169-A171 PolarHBondContact O-N 2.68Å
170	P	37	Very low	33.8	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	78%	0.783	S	S	*	*			trans	-82.8	102.8	146.7	22.8	-8.9	0	0	0	106.9	E168 N172	E168-P170 WeakPolarHBondContact O-CD 3.15Å; P170-N172 VanDerWaalsContact C-N 3.32Å; P170-N172 PolarHBondContact O-N 2.72Å; P170-N172 VanDerWaalsContact O-N 3.09Å
171	A	30.8	Very low	33.4	Very low	93 Å²	93	128.9 Å²	128.9	77%	0.769	78%	0.776	S	S	*	*			trans	-59.3	101.9	147.2	0	0	0	0	0	107.4	H169	H169-A171 PolarHBondContact O-N 2.68Å
172	N	37.3	Very low	32.5	Very low	147 Å²	147	131.1 Å²	131.1	79%	0.786	77%	0.774	S	S	*	*			trans	-155	107.8	159.8	-97.8	-21.9	0	0	0	104.6	P170	P170-N172 VanDerWaalsContact C-N 3.32Å; P170-N172 PolarHBondContact O-N 2.72Å; P170-N172 VanDerWaalsContact O-N 3.09Å
173	G	29.6	Very low	32.3	Very low	83 Å²	83	129.2 Å²	129.2	86%	0.856	76%	0.756	S	S	*	*			cis	69.9	48.1	44.6	0	0	0	0	0	109.6
174	G	30.5	Very low	32.3	Very low	68 Å²	68	131.7 Å²	131.7	70%	0.701	75%	0.75	S	S	*	*			trans	-142.9	94.8	177.9	0	0	0	0	0	110.5	G176	G174-G176 PolarHBondContact O-N 3.17Å
175	R	31.9	Very low	32.7	Very low	261 Å²	261	127.2 Å²	127.2	99%	0.985	73%	0.731	S	S	*	*			trans	-58.3	85.9	153.8	-86.5	-179.8	171.4	-169.6	-2.5	107.3	S177	R175-S177 PolarHBondContact O-N 3.4Å
176	G	31.3	Very low	32.9	Very low	68 Å²	68	125.2 Å²	125.2	70%	0.701	73%	0.729	S	S	*	*			trans	-79.8	101.8	167.2	0	0	0	0	0	107.4	G174 D178	G174-G176 PolarHBondContact O-N 3.17Å; G176-D178 PolarHBondContact O-N 2.88Å
177	S	33.8	Very low	33.2	Very low	108 Å²	108	122.7 Å²	122.7	76%	0.755	72%	0.717	S	S	*	*			trans	-50.6	120	175.6	-159.6	0	0	0	0	110.1	R175 S179	R175-S177 PolarHBondContact O-N 3.4Å; S177-S179 PolarHBondContact O-N 2.93Å
178	D	39.2	Very low	33.4	Very low	164 Å²	164	118 Å²	118	88%	0.877	71%	0.706	S	S	*	*			trans	-61.2	80.9	163.9	-87.6	-39.5	0	0	0	109	G176 G180	G176-D178 PolarHBondContact O-N 2.88Å; D178-G180 PolarHBondContact O-N 3.33Å
179	S	35.2	Very low	33.5	Very low	105 Å²	105	119.4 Å²	119.4	73%	0.734	71%	0.712	S	S	*	*			trans	-91.5	62.6	154.5	58.1	0	0	0	0	107.3	S177 T181	S177-S179 PolarHBondContact O-N 2.93Å; S179-T181 PolarHBondContact O-N 2.83Å
180	G	32.8	Very low	34	Very low	62 Å²	62	115.8 Å²	115.8	64%	0.639	70%	0.698	S	S	*	*			trans	-62.7	114.9	167.3	0	0	0	0	0	107.9	D178 K182	D178-G180 PolarHBondContact O-N 3.33Å; G180-K182 PolarHBondContact O-N 3.14Å
181	T	31.8	Very low	33.8	Very low	109 Å²	109	115 Å²	115	67%	0.669	69%	0.693	S	S	*	*			trans	-52.1	108.1	165.6	-40.9	0	0	0	0	106.7	S179 L183	S179-T181 PolarHBondContact O-N 2.83Å; T181-L183 VanDerWaalsContact C-N 3.28Å; T181-L183 PolarHBondContact O-N 3.35Å
182	K	31.7	Very low	34.2	Very low	164 Å²	164	115.8 Å²	115.8	71%	0.713	69%	0.69	S	S	*	*			trans	-65.4	92.6	176.2	-172.4	-168.7	-176.3	-160.3	0	106.8	G180 E184	G180-K182 PolarHBondContact O-N 3.14Å; K182-E184 VanDerWaalsContact C-N 3.28Å; K182-E184 HydrophobicContact CD-CG 4.16Å; K182-E184 WeakPolarHBondContact CE-OE1 3.18Å; K182-E184 HydrophobicContact CG-CG 4.32Å; K182-E184 IonicContact NZ-OE1 2.84Å; K182-E184 PolarHBondContact NZ-OE1 2.88Å; K182-E184 PolarHBondContact O-N 3.45Å
183	L	33.5	Very low	34.3	Very low	95 Å²	95	116.7 Å²	116.7	50%	0.497	69%	0.69	S	S	.	*			trans	-71.2	91.8	169.1	-168.5	76.5	0	0	0	106.6	F55 T181 I185	F55-L183 HydrophobicContact CD2-CD2 4.2Å; F55-L183 HydrophobicContact CE2-CD2 4.23Å; T181-L183 VanDerWaalsContact C-N 3.28Å; T181-L183 PolarHBondContact O-N 3.35Å; L183-I185 VanDerWaalsContact C-N 3.32Å; L183-I185 HydrophobicContact CD2-CG1 4.12Å; L183-I185 HydrophobicContact CG-CG1 4.32Å; L183-I185 PolarHBondContact O-N 3.46Å
184	E	33.5	Very low	34.9	Very low	118 Å²	118	118.3 Å²	118.3	55%	0.551	68%	0.683	S	S	*	*			trans	-67	96.8	166.5	-87.2	-176.7	172.1	0	0	107.9	K182 L186	K182-E184 VanDerWaalsContact C-N 3.28Å; K182-E184 HydrophobicContact CD-CG 4.16Å; K182-E184 WeakPolarHBondContact CE-OE1 3.18Å; K182-E184 HydrophobicContact CG-CG 4.32Å; K182-E184 IonicContact NZ-OE1 2.84Å; K182-E184 PolarHBondContact NZ-OE1 2.88Å; K182-E184 PolarHBondContact O-N 3.45Å; E184-L186 HydrophobicContact CB-CG 4.31Å; E184-L186 PolarHBondContact O-N 3.44Å
185	I	38.9	Very low	35.4	Very low	87 Å²	87	119.7 Å²	119.7	45%	0.446	69%	0.687	S	S	.	*			trans	-70.4	85	165	-56.1	179.1	0	0	0	105.9	F55 L183 G187	F55-I185 HydrophobicContact CE2-CD1 4Å; F55-I185 HydrophobicContact CZ-CD1 3.97Å; L183-I185 VanDerWaalsContact C-N 3.32Å; L183-I185 HydrophobicContact CD2-CG1 4.12Å; L183-I185 HydrophobicContact CG-CG1 4.32Å; L183-I185 PolarHBondContact O-N 3.46Å; I185-G187 PolarHBondContact O-N 3.04Å
186	L	32.7	Very low	36.2	Very low	150 Å²	150	115.1 Å²	115.1	79%	0.785	68%	0.677	S	S	*	*			trans	-73.1	70.5	167	-66.1	169.5	0	0	0	107.9	E184	E184-L186 HydrophobicContact CB-CG 4.31Å; E184-L186 PolarHBondContact O-N 3.44Å
187	G	34.9	Very low	36.7	Very low	35 Å²	35	117.6 Å²	117.6	36%	0.361	68%	0.681	S	S	.	*			trans	-109.7	139.5	165.7	0	0	0	0	0	108.3	I185 E189	I185-G187 PolarHBondContact O-N 3.04Å; G187-E189 PolarHBondContact O-N 2.67Å
188	P	32.8	Very low	37.1	Very low	98 Å²	98	122 Å²	122	64%	0.636	69%	0.689	S	S	*	*			trans	-62.4	129.1	176	27.3	-33.5	0	0	0	109.1	I190	P188-I190 HydrophobicContact CB-CD1 4.03Å; P188-I190 HydrophobicContact CB-CG1 3.77Å; P188-I190 HydrophobicContact CG-CD1 3.67Å; P188-I190 HydrophobicContact CG-CG1 3.89Å; P188-I190 PolarHBondContact O-N 3.37Å
189	E	33.7	Very low	37.3	Very low	198 Å²	198	124.3 Å²	124.3	93%	0.925	69%	0.692	S	S	*	*			trans	-60.6	90.1	164.3	-73.2	-170.3	163.1	0	0	107.7	G187	G187-E189 PolarHBondContact O-N 2.67Å
190	I	40.4	Very low	37.4	Very low	106 Å²	106	122.8 Å²	122.8	54%	0.544	69%	0.692	S	S	.	*			trans	-106.2	113.4	174.9	-56.3	180	0	0	0	107.6	P188	P188-I190 HydrophobicContact CB-CD1 4.03Å; P188-I190 HydrophobicContact CB-CG1 3.77Å; P188-I190 HydrophobicContact CG-CD1 3.67Å; P188-I190 HydrophobicContact CG-CG1 3.89Å; P188-I190 PolarHBondContact O-N 3.37Å
191	P	34.2	Very low	38.1	Very low	97 Å²	97	131 Å²	131	63%	0.63	70%	0.704	S	S	*	*			trans	-59.6	150.6	174.2	-19.3	30.2	0	0	0	111.8	H193	P191-H193 PolarHBondContact O-N 3.45Å
192	P	38.4	Very low	38.8	Very low	109 Å²	109	133.5 Å²	133.5	71%	0.708	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	33.2	-168.1	32.4	-36.7	0	0	0	115.5
193	H	40	Very low	39.2	Very low	166 Å²	166	135.5 Å²	135.5	77%	0.769	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	16.2	-166.9	-77.5	-54.9	0	0	0	118.6	P191 A195	P191-H193 PolarHBondContact O-N 3.45Å; H193-A195 PolarHBondContact O-N 2.77Å
194	V	42.7	Very low	39.5	Very low	117 Å²	117	135.6 Å²	135.6	71%	0.709	73%	0.728	S	S	*	*			trans	-97.6	86.4	169.9	-166.8	0	0	0	0	110.3	H196	V194-H196 PolarHBondContact O-N 2.85Å
195	A	40.3	Very low	40.1	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-65	116.1	168	0	0	0	0	0	109.6	H193	H193-A195 PolarHBondContact O-N 2.77Å
196	H	48.7	Very low	40	Very low	164 Å²	164	140.2 Å²	140.2	76%	0.759	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-82.1	138.9	163.4	-82.1	-73.9	0	0	0	109.5	V194 E198	V194-H196 PolarHBondContact O-N 2.85Å; H196-E198 PolarHBondContact O-N 3.18Å
197	P	40.8	Very low	40.4	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-70.9	122	-178.9	27	-32.1	0	0	0	111.1	K199	P197-K199 PolarHBondContact O-N 3.26Å
198	E	43.6	Very low	40.8	Very low	200 Å²	200	145.7 Å²	145.7	94%	0.935	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.6	117.5	169.2	-71.7	-167.6	151.1	0	0	110.1	H196	H196-E198 PolarHBondContact O-N 3.18Å
199	K	42.6	Very low	41.5	Very low	213 Å²	213	150.3 Å²	150.3	93%	0.926	80%	0.804	S	S	*	*			trans	-92.3	110.4	164.7	-117.2	-179.5	-178.3	177.5	0	108.3	P197	P197-K199 PolarHBondContact O-N 3.26Å
200	G	38.3	Very low	42.1	Very low	72 Å²	72	145.9 Å²	145.9	74%	0.742	80%	0.795	S	S	*	*			trans	-62.9	149.3	180	0	0	0	0	0	114.2
201	R	47.1	Very low	42.1	Very low	236 Å²	236	153.2 Å²	153.2	89%	0.891	82%	0.815	S	S	*	*			trans	-152.2	98.5	154	-107.3	178.1	-175	170.8	1.2	109.7
202	D	45.4	Very low	42.7	Very low	161 Å²	161	152 Å²	152	86%	0.861	82%	0.82	S	S	*	*			trans	40.5	134.8	133.4	-55.6	-44.9	0	0	0	122.8
203	K	40.1	Very low	42.8	Very low	205 Å²	205	153.3 Å²	153.3	89%	0.891	83%	0.829	S	S	*	*			trans	-63.1	170.5	-175.7	-115.2	-162.4	156.1	172.8	0	116.3
204	P	40.4	Very low	42.8	Very low	97 Å²	97	148.9 Å²	148.9	63%	0.63	83%	0.828	S	S	*	*			trans	-102	172.9	-159	42.1	-37.3	0	0	0	114.3
205	T	45.8	Very low	43.1	Very low	143 Å²	143	148.8 Å²	148.8	88%	0.877	83%	0.833	S	S	*	*			trans	-129.9	128.7	164.7	41.9	0	0	0	0	111.8
206	N	37.7	Very low	43.2	Very low	159 Å²	159	156.2 Å²	156.2	85%	0.85	84%	0.84	S	S	*	*			trans	-66.8	148	177.3	-55.1	-51.2	0	0	0	112.1
207	A	41.2	Very low	42.8	Very low	106 Å²	106	153.9 Å²	153.9	88%	0.876	84%	0.84	S	S	*	*			trans	-145.8	108.7	149.5	0	0	0	0	0	109
208	F	42.8	Very low	42.9	Very low	194 Å²	194	153.3 Å²	153.3	85%	0.851	84%	0.839	S	S	*	*			trans	-85.9	119.7	173.9	-178.1	-89	0	0	0	107
209	E	47.6	Very low	42.7	Very low	196 Å²	196	152 Å²	152	92%	0.916	83%	0.832	S	S	*	*			trans	-136	142.5	169.3	-122.4	177.3	176.6	0	0	112.3
210	S	46.1	Very low	42.2	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	82%	0.82	S	S	*	*			trans	-82.2	162.1	-150.4	-60.3	0	0	0	0	115.8
211	R	39.5	Very low	42.5	Very low	259 Å²	259	151.9 Å²	151.9	98%	0.977	82%	0.824	S	S	*	*			trans	-53.6	140.5	177.9	-65	167.7	176.8	162.7	-1.7	114.1
212	G	48.6	Very low	42.4	Very low	71 Å²	71	149.4 Å²	149.4	73%	0.732	82%	0.82	S	S	*	*			trans	-134.3	133	152	0	0	0	0	0	109.7
213	P	40.5	Very low	42.8	Very low	137 Å²	137	144.5 Å²	144.5	89%	0.89	81%	0.807	S	S	*	*			trans	-91	142.1	177.8	34.9	-28.6	0	0	0	110.4
214	G	40.3	Very low	43.6	Very low	74 Å²	74	142.2 Å²	142.2	76%	0.763	80%	0.797	S	S	*	*			trans	115.1	94.1	160.8	0	0	0	0	0	115.3
215	S	47.4	Very low	44.9	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	80%	0.803	S	S	*	*			trans	167.6	127.7	130.6	42.9	0	0	0	0	107.9	P217	S215-P217 VanDerWaalsContact O-CD 3.3Å; S215-P217 WeakPolarHBondContact O-CD 3.34Å
216	R	43.6	Very low	46.4	Very low	252 Å²	252	137.4 Å²	137.4	95%	0.951	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.9	119	174.9	-73.5	174.1	174.5	176.5	-2.8	108.6
217	P	40	Very low	48.7	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-85.8	125.2	170.2	27.5	-17.8	0	0	0	108.3	S215 Q219	S215-P217 VanDerWaalsContact O-CD 3.3Å; S215-P217 WeakPolarHBondContact O-CD 3.34Å; P217-Q219 PolarHBondContact O-N 3.01Å
218	S	43.2	Very low	51.1	Low	109 Å²	109	132.2 Å²	132.2	76%	0.762	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-52.1	130.8	159.9	56.4	0	0	0	0	108.1	S220	S218-S220 PolarHBondContact O-N 3.35Å
219	Q	39.1	Very low	53.6	Low	172 Å²	172	124.3 Å²	124.3	80%	0.804	70%	0.699	S	S	*	*			trans	-69.5	81.2	-179.6	-72.5	179.8	-8.1	0	0	109.7	P217 F221	P217-Q219 PolarHBondContact O-N 3.01Å; Q219-F221 PolarHBondContact O-N 3.07Å
220	S	31.4	Very low	55.9	Low	96 Å²	96	117 Å²	117	67%	0.671	67%	0.669	S	S	*	*			trans	-68.7	106.3	156.4	179.9	0	0	0	0	106.4	S218 K222	S218-S220 PolarHBondContact O-N 3.35Å; S220-K222 PolarHBondContact O-N 2.82Å
221	F	45	Very low	58.3	Low	186 Å²	186	119.2 Å²	119.2	82%	0.816	67%	0.668	S	S	*	*			trans	-63.5	80	167.2	-82.8	-96.1	0	0	0	108.4	Q219 G223	Q219-F221 PolarHBondContact O-N 3.07Å; F221-G223 VanDerWaalsContact C-N 3.26Å; F221-G223 PolarHBondContact O-N 2.82Å
222	K	44.9	Very low	61.1	Low	184 Å²	184	112.5 Å²	112.5	80%	0.8	64%	0.642	S	S	*	*			trans	-63.6	95.9	160.7	-87.6	-176	175.7	179.8	0	106.1	S220 K224	S220-K222 PolarHBondContact O-N 2.82Å; K222-K224 PolarHBondContact O-N 3.24Å
223	G	53.8	Low	63.3	Low	58 Å²	58	110.8 Å²	110.8	60%	0.598	62%	0.616	S	S	*	*			trans	-52.3	115.2	176.6	0	0	0	0	0	109.1	F221 S225	F221-G223 VanDerWaalsContact C-N 3.26Å; F221-G223 PolarHBondContact O-N 2.82Å; G223-S225 PolarHBondContact O-N 2.83Å; G223-S225 VanDerWaalsContact O-N 3.14Å
224	K	57.7	Low	65.9	Low	157 Å²	157	109.1 Å²	109.1	68%	0.683	61%	0.606	S	S	*	*			trans	-64.8	114.9	173.5	-66.8	175.3	-176	168.6	0	106.9	K222	K222-K224 PolarHBondContact O-N 3.24Å
225	S	66.9	Low	68.5	Low	109 Å²	109	110.3 Å²	110.3	76%	0.762	59%	0.588	S	S	*	*			trans	-79.3	121.7	175.6	58.2	0	0	0	0	109.6	G223	G223-S225 PolarHBondContact O-N 2.83Å; G223-S225 VanDerWaalsContact O-N 3.14Å
226	V	77	Confident	70.7	Confident	30 Å²	30	108.9 Å²	108.9	18%	0.182	57%	0.565	C	S	.	*			trans	-76.3	129.7	173.1	-170.4	0	0	0	0	108.7	Y228 E273 P298	V226-Y228 HydrophobicContact CB-CE1 4.49Å; V226-Y228 HydrophobicContact CB-CE2 4.33Å; V226-Y228 HydrophobicContact CG1-CD1 4.21Å; V226-Y228 HydrophobicContact CG1-CE1 4.06Å; V226-E273 WeakPolarHBondContact CG2-O 3.33Å; V226-P298 HydrophobicContact CG2-CG 4.23Å
227	T	87	Confident	73.1	Confident	121 Å²	121	103.1 Å²	103.1	74%	0.742	55%	0.549	S	S	*	.			trans	-92.6	104.3	168.8	-57.2	0	0	0	0	107.8	P276	T227-P276 WeakPolarHBondContact O-CB 3.48Å
228	Y	91.5	Very high	75.6	Confident	35 Å²	35	104.6 Å²	104.6	14%	0.137	54%	0.543	C	S	.	.			trans	-74.3	145.9	179.6	-67.1	-73.8	0	0	0	112	V226 P276 I278 I287 P298	V226-Y228 HydrophobicContact CB-CE1 4.49Å; V226-Y228 HydrophobicContact CB-CE2 4.33Å; V226-Y228 HydrophobicContact CG1-CD1 4.21Å; V226-Y228 HydrophobicContact CG1-CE1 4.06Å; Y228-P276 CarbonylContact C-O 3.45Å; Y228-P276 WeakPolarHBondContact CA-O 3.41Å; Y228-I278 HydrophobicContact CD1-CG1 3.99Å; Y228-I278 HydrophobicContact CG-CG1 4.17Å; Y228-I287 HydrophobicContact CD2-CD1 3.44Å; Y228-I287 VanDerWaalsContact CD2-CD1 3.44Å; Y228-I287 HydrophobicContact CE2-CD1 4.01Å; Y228-I287 HydrophobicContact CG-CD1 3.79Å; Y228-P298 WeakPolarHBondContact OH-CG 3.47Å
229	S	94.6	Very high	78	Confident	29 Å²	29	99.9 Å²	99.9	20%	0.203	51%	0.51	C	S	.	.			trans	-93.4	127.9	171.7	178.8	0	0	0	0	110.6	E231 P276 I278	S229-E231 VanDerWaalsContact C-N 3.32Å; S229-E231 PolarHBondContact OG-N 2.82Å; S229-E231 VanDerWaalsContact OG-N 3.14Å; S229-E231 PolarHBondContact OG-O 3.45Å; S229-P276 PolarHBondContact N-O 3.42Å; S229-I278 WeakPolarHBondContact O-CD1 3.43Å
230	C	96.4	Very high	80.5	Confident	42 Å²	42	97.1 Å²	97.1	28%	0.284	51%	0.51	S	S	.	.	S	Bend	trans	-83	-13.5	168.6	-67.4	0	0	0	0	112.9	L253 C288	C230-L253 HydrophobicContact CB-CB 4.42Å; C230-L253 PolarHBondContact O-N 2.96Å; C230-C288 WeakPolarHBondContact CA-SG 2.87Å; C230-C288 HydrophobicContact CB-CB 3.76Å; C230-C288 WeakPolarHBondContact CB-SG 2.87Å; C230-C288 WeakPolarHBondContact SG-CA 3.31Å; C230-C288 WeakPolarHBondContact SG-CB 3.3Å; C230-C288 CovalentContact SG-SG 2.04Å; C230-C288 PolarHBondContact SG-SG 3.32Å
231	E	96.8	Very high	83.3	Confident	152 Å²	152	96.9 Å²	96.9	71%	0.71	51%	0.505	S	S	*	.	S	Bend	trans	-86.6	150.7	174.6	-62.7	-178.1	-179.9	0	0	110.8	S229 L233	S229-E231 VanDerWaalsContact C-N 3.32Å; S229-E231 PolarHBondContact OG-N 2.82Å; S229-E231 VanDerWaalsContact OG-N 3.14Å; S229-E231 PolarHBondContact OG-O 3.45Å; E231-L233 PolarHBondContact O-N 3.03Å
232	R	96.6	Very high	85.5	Confident	117 Å²	117	90.4 Å²	90.4	44%	0.442	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-63.4	125.1	174	-178.7	173.1	174.1	166.4	-2.2	110	H252 Y261	R232-H252 HydrophobicContact CB-CB 4.34Å; R232-Y261 HydrophobicContact CG-CD1 4.47Å; R232-Y261 HydrophobicContact CG-CD2 3.61Å; R232-Y261 HydrophobicContact CG-CE2 3.7Å; R232-Y261 HydrophobicContact CG-CG 3.99Å
233	L	95.7	Very high	87.6	Confident	35 Å²	35	86.1 Å²	86.1	18%	0.183	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-80.5	149.7	171.9	-59.2	-177	0	0	0	110.7	E231 Y261 Y263 P276	E231-L233 PolarHBondContact O-N 3.03Å; L233-Y261 PolarHBondContact N-OH 2.96Å; L233-Y261 WeakPolarHBondContact O-CE2 3.42Å; L233-Y263 HydrophobicContact CB-CE2 4.08Å; L233-Y263 HydrophobicContact CD1-CE2 4.04Å; L233-P276 HydrophobicContact CD1-CG 3.9Å
234	P	94.9	Very high	89.4	Confident	103 Å²	103	85.4 Å²	85.4	67%	0.669	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.5	140.1	177.9	25.8	-34	0	0	0	111.1
235	Y	94.6	Very high	91.1	Very high	98 Å²	98	78.7 Å²	78.7	38%	0.384	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-72	138.5	171.9	-179.5	-106.4	0	0	0	109.8	E237 F247 P262	Y235-E237 HydrophobicContact CD1-CG 4.19Å; Y235-E237 HydrophobicContact CE1-CG 3.63Å; Y235-F247 HydrophobicContact CE2-CD2 4.38Å; Y235-P262 HydrophobicContact CD2-CB 4.36Å
236	R	93.8	Very high	92.2	Very high	85 Å²	85	74 Å²	74	32%	0.321	40%	0.402	S	S	.	.			trans	-119.3	126.2	177.4	-62.1	176.2	-60.9	-161.2	3.9	108.3	T245 G264 D270	R236-T245 HydrophobicContact CB-CG2 3.96Å; R236-T245 WeakPolarHBondContact O-CB 3.29Å; R236-T245 WeakPolarHBondContact O-CG2 3.36Å; R236-T245 PolarHBondContact O-OG1 3.44Å; R236-G264 PolarHBondContact NE-O 2.95Å; R236-G264 PolarHBondContact NH2-O 3.1Å; R236-D270 IonicContact CZ-OD1 2.74Å; R236-D270 IonicContact CZ-OD2 3.58Å; R236-D270 IonicContact NH1-OD1 3.42Å; R236-D270 PolarHBondContact NH1-OD1 2.82Å; R236-D270 IonicContact NH2-OD1 2.71Å; R236-D270 PolarHBondContact NH2-OD1 2.82Å; R236-D270 IonicContact NH2-OD2 3.76Å; R236-D270 PolarHBondContact NH2-OD2 2.87Å
237	E	93.3	Very high	93	Very high	132 Å²	132	75.5 Å²	75.5	62%	0.617	41%	0.406	S	S	*	.	S	Bend	trans	-82.4	-32.8	174.4	-71.6	177.2	-173.8	0	0	112.1	Y235 T245	Y235-E237 HydrophobicContact CD1-CG 4.19Å; Y235-E237 HydrophobicContact CE1-CG 3.63Å; E237-T245 PolarHBondContact O-N 3.05Å
238	K	94.3	Very high	93.3	Very high	146 Å²	146	69.9 Å²	69.9	64%	0.635	37%	0.372	S	S	*	.	B	Isolated β-bridge	trans	-128.4	148.6	-179.7	-63.1	-175.9	-177.9	-178.5	0	111.7	L243	K238-L243 CarbonylContact C-O 3.59Å; K238-L243 WeakPolarHBondContact CA-O 3.46Å
239	C	92.9	Very high	93.5	Very high	11 Å²	11	70.2 Å²	70.2	7%	0.074	38%	0.376	C	S	.	.			trans	-78.7	163.6	169.5	-62.7	0	0	0	0	111.1	T241 G242 L243 C266 I269	C239-T241 WeakPolarHBondContact CB-OG1 3.11Å; C239-T241 PolarHBondContact O-N 2.98Å; C239-T241 VanDerWaalsContact O-N 3.11Å; C239-G242 PolarHBondContact O-N 3.42Å; C239-L243 PolarHBondContact N-O 2.56Å; C239-C266 WeakPolarHBondContact CA-SG 3.48Å; C239-C266 HydrophobicContact CB-CB 3.9Å; C239-C266 WeakPolarHBondContact CB-SG 3.38Å; C239-C266 WeakPolarHBondContact SG-CA 3.29Å; C239-C266 WeakPolarHBondContact SG-CB 3.32Å; C239-C266 CovalentContact SG-SG 2.04Å; C239-C266 PolarHBondContact SG-SG 3.46Å; C239-I269 HydrophobicContact CB-CD1 3.69Å
240	S	92.1	Very high	93.5	Very high	113 Å²	113	69 Å²	69	79%	0.79	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.3	174.8	55	0	0	0	0	113.2	G242 I269	S240-G242 VanDerWaalsContact C-N 3.26Å; S240-I269 WeakPolarHBondContact OG-CD1 3.39Å
241	T	90.5	Very high	93.5	Very high	92 Å²	92	69.6 Å²	69.6	56%	0.564	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.9	170.3	52.4	0	0	0	0	113.9	C239 L243 I269	C239-T241 WeakPolarHBondContact CB-OG1 3.11Å; C239-T241 PolarHBondContact O-N 2.98Å; C239-T241 VanDerWaalsContact O-N 3.11Å; T241-L243 VanDerWaalsContact C-N 3.29Å; T241-I269 HydrophobicContact CG2-CD1 3.56Å; T241-I269 HydrophobicContact CG2-CG1 4.23Å
242	G	90.5	Very high	93.6	Very high	49 Å²	49	62.9 Å²	62.9	51%	0.505	33%	0.332	S	S	.	.	S	Bend	trans	85.5	-9.2	-174	0	0	0	0	0	114.8	C239 S240	C239-G242 PolarHBondContact O-N 3.42Å; S240-G242 VanDerWaalsContact C-N 3.26Å
243	L	88.4	Confident	93.6	Very high	94 Å²	94	60 Å²	60	49%	0.492	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-69.8	150.6	174.6	-63.1	176.7	0	0	0	111.2	K238 C239 T241	K238-L243 CarbonylContact C-O 3.59Å; K238-L243 WeakPolarHBondContact CA-O 3.46Å; C239-L243 PolarHBondContact N-O 2.56Å; T241-L243 VanDerWaalsContact C-N 3.29Å
244	A	91.3	Very high	93.7	Very high	44 Å²	44	64.4 Å²	64.4	36%	0.364	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-60.3	145.1	172.8	0	0	0	0	0	111	Y88	Y88-A244 WeakPolarHBondContact CE1-O 3.34Å
245	T	93.1	Very high	93.8	Very high	16 Å²	16	66 Å²	66	10%	0.098	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-73.9	152.6	171.7	64.2	0	0	0	0	111.3	R236 E237 G264	R236-T245 HydrophobicContact CB-CG2 3.96Å; R236-T245 WeakPolarHBondContact O-CB 3.29Å; R236-T245 WeakPolarHBondContact O-CG2 3.36Å; R236-T245 PolarHBondContact O-OG1 3.44Å; E237-T245 PolarHBondContact O-N 3.05Å; T245-G264 WeakPolarHBondContact OG1-CA 3.49Å
246	Q	91.2	Very high	93.8	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.047	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.2	166.8	-177	-176.1	14.5	0	0	108.9	V56 T248 Y265 N267	V56-Q246 HydrophobicContact CB-CG 4.35Å; Q246-T248 PolarHBondContact O-N 3.08Å; Q246-Y265 WeakPolarHBondContact CB-O 3.4Å; Q246-Y265 PolarHBondContact N-O 3.25Å; Q246-Y265 PolarHBondContact O-N 3.45Å; Q246-N267 PolarHBondContact OE1-ND2 2.91Å; Q246-N267 PolarHBondContact OE1-OD1 2.83Å
247	F	93.2	Very high	94	Very high	61 Å²	61	66.1 Å²	66.1	27%	0.268	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131	172.8	179	-70.9	0	0	0	110.7	F55 W57 Y235 L249 P262 Y263	F55-F247 HydrophobicContact CE1-CD1 4.04Å; F55-F247 AromaticContact CE1-CE1 3.86Å; F55-F247 HydrophobicContact CE1-CE1 3.86Å; W57-F247 AromaticContact CD1-CD1 3.14Å; W57-F247 AromaticContact CD1-CE1 3.84Å; W57-F247 AromaticContact CD1-CG 3.59Å; W57-F247 HydrophobicContact CG-CD1 4.4Å; W57-F247 PolarHBondContact N-O 3.5Å; W57-F247 AromaticContact NE1-CD1 3.38Å; W57-F247 AromaticContact NE1-CE1 3.56Å; Y235-F247 HydrophobicContact CE2-CD2 4.38Å; F247-L249 HydrophobicContact CE1-CD2 4.18Å; F247-L249 HydrophobicContact CE1-CG 4.45Å; F247-L249 HydrophobicContact CZ-CD2 4.25Å; F247-P262 HydrophobicContact CD2-CB 4.26Å; F247-P262 HydrophobicContact CE2-CB 3.4Å; F247-P262 HydrophobicContact CZ-CB 3.79Å; F247-Y263 WeakPolarHBondContact CA-O 2.92Å
248	T	93.9	Very high	94.2	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.6	171.4	-172	0	0	0	0	109.7	F55 Q246 R250 Y263	F55-T248 WeakPolarHBondContact O-CB 3.31Å; F55-T248 PolarHBondContact O-OG1 2.98Å; Q246-T248 PolarHBondContact O-N 3.08Å; T248-R250 HydrophobicContact CG2-CG 4.49Å; T248-Y263 HydrophobicContact CG2-CD1 3.75Å; T248-Y263 HydrophobicContact CG2-CG 4.38Å; T248-Y263 PolarHBondContact N-O 3.04Å; T248-Y263 PolarHBondContact O-N 2.93Å
249	L	94.5	Very high	94.4	Very high	41 Å²	41	56.1 Å²	56.1	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.6	171.8	-67.3	175.2	0	0	0	110	F55 F247	F55-L249 HydrophobicContact CD1-CD1 4.17Å; F55-L249 HydrophobicContact CD1-CG 4.02Å; F55-L249 HydrophobicContact CG-CD1 4.45Å; F247-L249 HydrophobicContact CE1-CD2 4.18Å; F247-L249 HydrophobicContact CE1-CG 4.45Å; F247-L249 HydrophobicContact CZ-CD2 4.25Å
250	R	95.7	Very high	94.5	Very high	3 Å²	3	57 Å²	57	1%	0.011	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	167.3	171.2	-65.2	-61.6	-164.1	-139.2	7.1	109.6	T248 S260 Y261 Y263 D275 S277 I278	T248-R250 HydrophobicContact CG2-CG 4.49Å; R250-S260 CarbonylContact O-C 3.51Å; R250-S260 WeakPolarHBondContact O-CA 3.35Å; R250-Y261 HydrophobicContact CB-CD1 4.05Å; R250-Y261 HydrophobicContact CB-CE1 3.49Å; R250-Y261 VanDerWaalsContact CB-CE1 3.49Å; R250-Y261 HydrophobicContact CB-CE2 4.4Å; R250-Y261 PolarHBondContact N-O 2.82Å; R250-Y261 WeakPolarHBondContact O-CD1 3.35Å; R250-Y261 PolarHBondContact O-N 2.94Å; R250-Y263 HydrophobicContact CB-CG 4.41Å; R250-Y263 VanDerWaalsContact CG-CB 3.43Å; R250-Y263 HydrophobicContact CG-CD1 3.54Å; R250-Y263 HydrophobicContact CG-CD2 4.29Å; R250-Y263 HydrophobicContact CG-CE1 4.31Å; R250-Y263 HydrophobicContact CG-CG 3.5Å; R250-D275 IonicContact CZ-OD2 3.71Å; R250-D275 IonicContact NE-OD2 3.77Å; R250-D275 IonicContact NH2-OD2 2.82Å; R250-D275 PolarHBondContact NH2-OD2 2.73Å; R250-S277 VanDerWaalsContact CD-OG 3.31Å; R250-S277 WeakPolarHBondContact CD-OG 3.39Å; R250-S277 PolarHBondContact NE-OG 2.78Å; R250-I278 CarbonylContact C-O 3.56Å; R250-I278 VanDerWaalsContact CA-O 3.31Å; R250-I278 WeakPolarHBondContact CA-O 3.31Å; R250-I278 WeakPolarHBondContact CB-O 3.34Å; R250-I278 WeakPolarHBondContact CD-O 3.34Å
251	W	97.1	Very high	94.8	Very high	55 Å²	55	51.8 Å²	51.8	21%	0.208	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141	-177.7	-63.9	80.1	0	0	0	110.4	C258 I259 I278 R279 Y280 K281 C284	W251-C258 HydrophobicContact CE3-CB 4.33Å; W251-C258 VanDerWaalsContact CZ3-O 3.29Å; W251-C258 WeakPolarHBondContact CZ3-O 3.04Å; W251-I259 WeakPolarHBondContact CA-O 3.45Å; W251-I278 PolarHBondContact N-O 2.91Å; W251-R279 VanDerWaalsContact CD1-O 3.25Å; W251-R279 PolarHBondContact NE1-O 3.02Å; W251-Y280 VanDerWaalsContact CD1-C 3.49Å; W251-K281 HydrophobicContact CD2-CB 3.69Å; W251-K281 HydrophobicContact CD2-CG 4.09Å; W251-K281 HydrophobicContact CE3-CB 3.73Å; W251-K281 HydrophobicContact CE3-CD 4.26Å; W251-K281 HydrophobicContact CE3-CG 3.58Å; W251-K281 HydrophobicContact CG-CB 4.43Å; W251-K281 HydrophobicContact CH2-CB 3.76Å; W251-K281 HydrophobicContact CH2-CD 3.74Å; W251-K281 HydrophobicContact CH2-CG 3.85Å; W251-K281 HydrophobicContact CZ2-CB 3.72Å; W251-K281 HydrophobicContact CZ2-CG 4.32Å; W251-K281 HydrophobicContact CZ3-CB 3.76Å; W251-K281 HydrophobicContact CZ3-CD 3.59Å; W251-K281 HydrophobicContact CZ3-CG 3.45Å; W251-K281 VanDerWaalsContact CZ3-CG 3.45Å; W251-C284 HydrophobicContact CB-CB 3.76Å
252	H	97.4	Very high	95	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.9	171.8	78.7	93	0	0	0	110.1	R232 C258 I259 Y261	R232-H252 HydrophobicContact CB-CB 4.34Å; H252-C258 WeakPolarHBondContact O-CA 3.34Å; H252-I259 PolarHBondContact N-O 3.15Å; H252-I259 PolarHBondContact O-N 3.01Å; H252-Y261 HydrophobicContact CB-CD1 4.24Å; H252-Y261 HydrophobicContact CB-CE1 3.93Å; H252-Y261 AromaticContact CD2-CD1 3.4Å; H252-Y261 VanDerWaalsContact CD2-CD1 3.4Å; H252-Y261 WeakPolarHBondContact CD2-CD1 3.03Å; H252-Y261 AromaticContact CD2-CE1 3.94Å; H252-Y261 AromaticContact CD2-CG 3.89Å
253	L	97.6	Very high	95.3	Very high	56 Å²	56	47.6 Å²	47.6	29%	0.293	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.3	174	-173.8	66.7	0	0	0	109.2	C230 C288 I289	C230-L253 HydrophobicContact CB-CB 4.42Å; C230-L253 PolarHBondContact O-N 2.96Å; L253-C288 HydrophobicContact CB-CB 3.94Å; L253-C288 HydrophobicContact CD2-CB 4.13Å; L253-C288 HydrophobicContact CG-CB 4.43Å; L253-I289 HydrophobicContact CD1-CD1 4.15Å; L253-I289 HydrophobicContact CD1-CG1 3.62Å
254	Y	97.4	Very high	95.6	Very high	128 Å²	128	43.1 Å²	43.1	50%	0.502	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	122	175.2	-173.9	-108.1	0	0	0	109.3	G256 E257 I259	Y254-G256 PolarHBondContact O-N 3.14Å; Y254-G256 VanDerWaalsContact O-N 3.12Å; Y254-E257 PolarHBondContact N-O 2.96Å; Y254-E257 PolarHBondContact O-N 2.86Å; Y254-E257 VanDerWaalsContact O-O 3.06Å; Y254-I259 VanDerWaalsContact CB-CD1 3.5Å; Y254-I259 HydrophobicContact CD1-CD1 3.78Å; Y254-I259 HydrophobicContact CG-CD1 3.76Å
255	N	96.4	Very high	95.7	Very high	135 Å²	135	42 Å²	42	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.6	179.9	-64.9	-8.7	0	0	0	114.4	E257	N255-E257 VanDerWaalsContact C-N 3.28Å; N255-E257 PolarHBondContact O-N 2.64Å
256	G	95.8	Very high	95.6	Very high	53 Å²	53	41.4 Å²	41.4	55%	0.546	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-0.1	-179.6	0	0	0	0	0	114.8	Y254 I289	Y254-G256 PolarHBondContact O-N 3.14Å; Y254-G256 VanDerWaalsContact O-N 3.12Å; G256-I289 WeakPolarHBondContact O-CD1 3.42Å
257	E	97.4	Very high	95.2	Very high	134 Å²	134	42.7 Å²	42.7	63%	0.626	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.4	179.6	-61.5	-171.1	150.3	0	0	111.4	Y254 N255 I259	Y254-E257 PolarHBondContact N-O 2.96Å; Y254-E257 PolarHBondContact O-N 2.86Å; Y254-E257 VanDerWaalsContact O-O 3.06Å; N255-E257 VanDerWaalsContact C-N 3.28Å; N255-E257 PolarHBondContact O-N 2.64Å; E257-I259 HydrophobicContact CB-CG2 4.43Å; E257-I259 PolarHBondContact O-N 3.32Å
258	C	97.7	Very high	94.7	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.2	171.1	-77.6	0	0	0	0	109.5	W251 H252 K281 C284 E285	W251-C258 HydrophobicContact CE3-CB 4.33Å; W251-C258 VanDerWaalsContact CZ3-O 3.29Å; W251-C258 WeakPolarHBondContact CZ3-O 3.04Å; H252-C258 WeakPolarHBondContact O-CA 3.34Å; C258-K281 HydrophobicContact CB-CG 4.22Å; C258-C284 HydrophobicContact CB-CB 3.76Å; C258-C284 WeakPolarHBondContact CB-SG 3.45Å; C258-C284 WeakPolarHBondContact SG-CB 3.45Å; C258-C284 CovalentContact SG-SG 2.05Å; C258-C284 PolarHBondContact SG-SG 2.78Å; C258-E285 HydrophobicContact CB-CG 4.02Å; C258-E285 PolarHBondContact SG-N 2.97Å
259	I	97.5	Very high	94.4	Very high	59 Å²	59	47.1 Å²	47.1	30%	0.303	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153	179	66.3	169.6	0	0	0	110.8	W251 H252 Y254 E257	W251-I259 WeakPolarHBondContact CA-O 3.45Å; H252-I259 PolarHBondContact N-O 3.15Å; H252-I259 PolarHBondContact O-N 3.01Å; Y254-I259 VanDerWaalsContact CB-CD1 3.5Å; Y254-I259 HydrophobicContact CD1-CD1 3.78Å; Y254-I259 HydrophobicContact CG-CD1 3.76Å; E257-I259 HydrophobicContact CB-CG2 4.43Å; E257-I259 PolarHBondContact O-N 3.32Å
260	S	96.6	Very high	94	Very high	28 Å²	28	46.5 Å²	46.5	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	151.5	176.6	64.2	0	0	0	0	111.7	R250	R250-S260 CarbonylContact O-C 3.51Å; R250-S260 WeakPolarHBondContact O-CA 3.35Å
261	Y	96.8	Very high	93.4	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.02	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.6	176.1	73.6	-78.9	0	0	0	111.4	R232 L233 R250 H252 Y263	R232-Y261 HydrophobicContact CG-CD1 4.47Å; R232-Y261 HydrophobicContact CG-CD2 3.61Å; R232-Y261 HydrophobicContact CG-CE2 3.7Å; R232-Y261 HydrophobicContact CG-CG 3.99Å; L233-Y261 PolarHBondContact N-OH 2.96Å; L233-Y261 WeakPolarHBondContact O-CE2 3.42Å; R250-Y261 HydrophobicContact CB-CD1 4.05Å; R250-Y261 HydrophobicContact CB-CE1 3.49Å; R250-Y261 VanDerWaalsContact CB-CE1 3.49Å; R250-Y261 HydrophobicContact CB-CE2 4.4Å; R250-Y261 PolarHBondContact N-O 2.82Å; R250-Y261 WeakPolarHBondContact O-CD1 3.35Å; R250-Y261 PolarHBondContact O-N 2.94Å; H252-Y261 HydrophobicContact CB-CD1 4.24Å; H252-Y261 HydrophobicContact CB-CE1 3.93Å; H252-Y261 AromaticContact CD2-CD1 3.4Å; H252-Y261 VanDerWaalsContact CD2-CD1 3.4Å; H252-Y261 WeakPolarHBondContact CD2-CD1 3.03Å; H252-Y261 AromaticContact CD2-CE1 3.94Å; H252-Y261 AromaticContact CD2-CG 3.89Å; Y261-Y263 HydrophobicContact CE2-CD2 4.22Å
262	P	96	Very high	92.6	Very high	45 Å²	45	47.8 Å²	47.8	29%	0.292	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.5	176.9	28.9	-35.6	0	0	0	111.1	Y235 F247	Y235-P262 HydrophobicContact CD2-CB 4.36Å; F247-P262 HydrophobicContact CD2-CB 4.26Å; F247-P262 HydrophobicContact CE2-CB 3.4Å; F247-P262 HydrophobicContact CZ-CB 3.79Å
263	Y	95.6	Very high	91.6	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.7	-179.9	-174.1	-115.1	0	0	0	111.1	L233 F247 T248 R250 Y261 Y265 D275	L233-Y263 HydrophobicContact CB-CE2 4.08Å; L233-Y263 HydrophobicContact CD1-CE2 4.04Å; F247-Y263 WeakPolarHBondContact CA-O 2.92Å; T248-Y263 HydrophobicContact CG2-CD1 3.75Å; T248-Y263 HydrophobicContact CG2-CG 4.38Å; T248-Y263 PolarHBondContact N-O 3.04Å; T248-Y263 PolarHBondContact O-N 2.93Å; R250-Y263 HydrophobicContact CB-CG 4.41Å; R250-Y263 VanDerWaalsContact CG-CB 3.43Å; R250-Y263 HydrophobicContact CG-CD1 3.54Å; R250-Y263 HydrophobicContact CG-CD2 4.29Å; R250-Y263 HydrophobicContact CG-CE1 4.31Å; R250-Y263 HydrophobicContact CG-CG 3.5Å; Y261-Y263 HydrophobicContact CE2-CD2 4.22Å; Y263-Y265 HydrophobicContact CE1-CD2 4.21Å; Y263-D275 PolarHBondContact OH-OD1 3.35Å
264	G	95.4	Very high	90.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	98.6	177.1	0	0	0	0	0	110.9	R236 T245	R236-G264 PolarHBondContact NE-O 2.95Å; R236-G264 PolarHBondContact NH2-O 3.1Å; T245-G264 WeakPolarHBondContact OG1-CA 3.49Å
265	Y	93.1	Very high	90.5	Very high	20 Å²	20	47.2 Å²	47.2	8%	0.078	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.8	179.4	-174.4	-98.5	0	0	0	111.4	Q246 Y263 N267 D270 I272	Q246-Y265 WeakPolarHBondContact CB-O 3.4Å; Q246-Y265 PolarHBondContact N-O 3.25Å; Q246-Y265 PolarHBondContact O-N 3.45Å; Y263-Y265 HydrophobicContact CE1-CD2 4.21Å; Y265-N267 WeakPolarHBondContact CD1-OD1 3.49Å; Y265-N267 WeakPolarHBondContact CE1-OD1 3.17Å; Y265-D270 HydrophobicContact CD2-CB 3.97Å; Y265-D270 HydrophobicContact CE2-CB 3.53Å; Y265-D270 PolarHBondContact OH-O 2.87Å; Y265-I272 WeakPolarHBondContact OH-CG1 2.95Å
266	C	91.5	Very high	90.3	Very high	4 Å²	4	43 Å²	43	3%	0.027	27%	0.266	C	S	.	.			trans	-99.8	95	179.1	-75.7	0	0	0	0	111.7	C239 G268 I269 D270	C239-C266 WeakPolarHBondContact CA-SG 3.48Å; C239-C266 HydrophobicContact CB-CB 3.9Å; C239-C266 WeakPolarHBondContact CB-SG 3.38Å; C239-C266 WeakPolarHBondContact SG-CA 3.29Å; C239-C266 WeakPolarHBondContact SG-CB 3.32Å; C239-C266 CovalentContact SG-SG 2.04Å; C239-C266 PolarHBondContact SG-SG 3.46Å; C266-G268 PolarHBondContact O-N 3.28Å; C266-I269 HydrophobicContact CB-CB 3.91Å; C266-I269 HydrophobicContact CB-CD1 4.25Å; C266-I269 HydrophobicContact CB-CG1 4.34Å; C266-I269 PolarHBondContact O-N 3.12Å; C266-D270 WeakPolarHBondContact CB-OD2 3.27Å; C266-D270 PolarHBondContact N-OD2 3.02Å; C266-D270 PolarHBondContact O-N 2.05Å
267	N	83.7	Confident	90.2	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.203	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-54.7	126.2	175.5	-74.9	-52.6	0	0	0	111.6	Q246 Y265 I269	Q246-N267 PolarHBondContact OE1-ND2 2.91Å; Q246-N267 PolarHBondContact OE1-OD1 2.83Å; Y265-N267 WeakPolarHBondContact CD1-OD1 3.49Å; Y265-N267 WeakPolarHBondContact CE1-OD1 3.17Å; N267-I269 VanDerWaalsContact C-N 3.27Å; N267-I269 PolarHBondContact O-N 2.81Å
268	G	82.5	Confident	89.9	Confident	85 Å²	85	34.2 Å²	34.2	88%	0.876	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-7.2	179.8	0	0	0	0	0	115.2	C266	C266-G268 PolarHBondContact O-N 3.28Å
269	I	86.8	Confident	89.6	Confident	72 Å²	72	34.4 Å²	34.4	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-53.7	173.6	-52.2	-178.9	0	0	0	109.7	C239 S240 T241 C266 N267 S271	C239-I269 HydrophobicContact CB-CD1 3.69Å; S240-I269 WeakPolarHBondContact OG-CD1 3.39Å; T241-I269 HydrophobicContact CG2-CD1 3.56Å; T241-I269 HydrophobicContact CG2-CG1 4.23Å; C266-I269 HydrophobicContact CB-CB 3.91Å; C266-I269 HydrophobicContact CB-CD1 4.25Å; C266-I269 HydrophobicContact CB-CG1 4.34Å; C266-I269 PolarHBondContact O-N 3.12Å; N267-I269 VanDerWaalsContact C-N 3.27Å; N267-I269 PolarHBondContact O-N 2.81Å; I269-S271 PolarHBondContact O-N 3.27Å
270	D	86.4	Confident	89.3	Confident	28 Å²	28	32.9 Å²	32.9	15%	0.15	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-73.7	128.1	169.8	-61.2	-36.4	0	0	0	107.8	R236 Y265 C266	R236-D270 IonicContact CZ-OD1 2.74Å; R236-D270 IonicContact CZ-OD2 3.58Å; R236-D270 IonicContact NH1-OD1 3.42Å; R236-D270 PolarHBondContact NH1-OD1 2.82Å; R236-D270 IonicContact NH2-OD1 2.71Å; R236-D270 PolarHBondContact NH2-OD1 2.82Å; R236-D270 IonicContact NH2-OD2 3.76Å; R236-D270 PolarHBondContact NH2-OD2 2.87Å; Y265-D270 HydrophobicContact CD2-CB 3.97Å; Y265-D270 HydrophobicContact CE2-CB 3.53Å; Y265-D270 PolarHBondContact OH-O 2.87Å; C266-D270 WeakPolarHBondContact CB-OD2 3.27Å; C266-D270 PolarHBondContact N-OD2 3.02Å; C266-D270 PolarHBondContact O-N 2.05Å
271	S	83.1	Confident	89.1	Confident	46 Å²	46	35.3 Å²	35.3	32%	0.322	21%	0.208	S	C	.	.			trans	-91.9	137.5	168.5	174.5	0	0	0	0	109.2	I269 E273 T274 D275	I269-S271 PolarHBondContact O-N 3.27Å; S271-E273 PolarHBondContact O-N 3.32Å; S271-E273 VanDerWaalsContact O-N 3.15Å; S271-E273 PolarHBondContact OG-N 3.17Å; S271-T274 WeakPolarHBondContact CB-OG1 3.38Å; S271-T274 PolarHBondContact O-N 3.28Å; S271-D275 WeakPolarHBondContact O-CB 3.42Å; S271-D275 PolarHBondContact O-N 3.4Å
272	I	80	Confident	88.9	Confident	39 Å²	39	38.3 Å²	38.3	20%	0.2	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.8	173.4	-72.6	-177.1	0	0	0	111.2	Y73 V75 Y265 T274 R279 P298	Y73-I272 HydrophobicContact CE1-CD1 4.48Å; V75-I272 HydrophobicContact CB-CD1 4.4Å; V75-I272 HydrophobicContact CG1-CD1 3.66Å; V75-I272 HydrophobicContact CG1-CG2 3.95Å; V75-I272 HydrophobicContact CG2-CD1 3.91Å; Y265-I272 WeakPolarHBondContact OH-CG1 2.95Å; I272-T274 VanDerWaalsContact C-N 3.34Å; I272-R279 VanDerWaalsContact CB-NH2 3.33Å; I272-R279 PolarHBondContact O-NH2 3.23Å; I272-P298 HydrophobicContact CG2-CB 4.15Å; I272-P298 WeakPolarHBondContact O-CG 3.19Å
273	E	76.6	Confident	88.6	Confident	96 Å²	96	37 Å²	37	45%	0.449	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-8	-178.3	-57.3	-178.9	172.5	0	0	114.1	V226 S271	V226-E273 WeakPolarHBondContact CG2-O 3.33Å; S271-E273 PolarHBondContact O-N 3.32Å; S271-E273 VanDerWaalsContact O-N 3.15Å; S271-E273 PolarHBondContact OG-N 3.17Å
274	T	83.1	Confident	88.6	Confident	85 Å²	85	36.6 Å²	36.6	52%	0.521	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-6.8	-177.9	66.7	0	0	0	0	113.5	S271 I272 P276	S271-T274 WeakPolarHBondContact CB-OG1 3.38Å; S271-T274 PolarHBondContact O-N 3.28Å; I272-T274 VanDerWaalsContact C-N 3.34Å; T274-P276 VanDerWaalsContact O-CD 3.32Å; T274-P276 WeakPolarHBondContact O-CD 3.45Å
275	D	88.4	Confident	88.6	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	22%	0.223	C	C	.	.			trans	-62.6	115	175.1	-178.5	-0.5	0	0	0	109.9	R250 Y263 S271 S277	R250-D275 IonicContact CZ-OD2 3.71Å; R250-D275 IonicContact NE-OD2 3.77Å; R250-D275 IonicContact NH2-OD2 2.82Å; R250-D275 PolarHBondContact NH2-OD2 2.73Å; Y263-D275 PolarHBondContact OH-OD1 3.35Å; S271-D275 WeakPolarHBondContact O-CB 3.42Å; S271-D275 PolarHBondContact O-N 3.4Å; D275-S277 PolarHBondContact O-N 2.03Å; D275-S277 WeakPolarHBondContact OD1-CB 3.06Å; D275-S277 PolarHBondContact OD1-N 2.86Å; D275-S277 PolarHBondContact OD1-OG 2.75Å; D275-S277 PolarHBondContact OD2-OG 2.83Å
276	P	91.7	Very high	88.5	Confident	47 Å²	47	38.5 Å²	38.5	31%	0.305	22%	0.221	S	C	.	.			trans	-76.5	-6.7	-177.5	31.1	-33.4	0	0	0	112.9	T227 Y228 S229 L233 T274	T227-P276 WeakPolarHBondContact O-CB 3.48Å; Y228-P276 CarbonylContact C-O 3.45Å; Y228-P276 WeakPolarHBondContact CA-O 3.41Å; S229-P276 PolarHBondContact N-O 3.42Å; L233-P276 HydrophobicContact CD1-CG 3.9Å; T274-P276 VanDerWaalsContact O-CD 3.32Å; T274-P276 WeakPolarHBondContact O-CD 3.45Å
277	S	93.6	Very high	88.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-73.1	143.7	178.4	65.5	0	0	0	0	112.6	R250 D275	R250-S277 VanDerWaalsContact CD-OG 3.31Å; R250-S277 WeakPolarHBondContact CD-OG 3.39Å; R250-S277 PolarHBondContact NE-OG 2.78Å; D275-S277 PolarHBondContact O-N 2.03Å; D275-S277 WeakPolarHBondContact OD1-CB 3.06Å; D275-S277 PolarHBondContact OD1-N 2.86Å; D275-S277 PolarHBondContact OD1-OG 2.75Å; D275-S277 PolarHBondContact OD2-OG 2.83Å
278	I	93	Very high	89.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-90.2	130	-179.6	-54.7	175	0	0	0	109.9	Y228 S229 R250 W251 Y280 D283 C284 I287 C288	Y228-I278 HydrophobicContact CD1-CG1 3.99Å; Y228-I278 HydrophobicContact CG-CG1 4.17Å; S229-I278 WeakPolarHBondContact O-CD1 3.43Å; R250-I278 CarbonylContact C-O 3.56Å; R250-I278 VanDerWaalsContact CA-O 3.31Å; R250-I278 WeakPolarHBondContact CA-O 3.31Å; R250-I278 WeakPolarHBondContact CB-O 3.34Å; R250-I278 WeakPolarHBondContact CD-O 3.34Å; W251-I278 PolarHBondContact N-O 2.91Å; I278-Y280 WeakPolarHBondContact CG2-O 3.44Å; I278-D283 HydrophobicContact CG2-CB 3.67Å; I278-C284 HydrophobicContact CD1-CB 4.24Å; I278-C284 HydrophobicContact CG2-CB 3.93Å; I278-I287 HydrophobicContact CD1-CB 4.48Å; I278-I287 HydrophobicContact CD1-CD1 4.13Å; I278-I287 HydrophobicContact CG1-CD1 4.4Å; I278-C288 VanDerWaalsContact CD1-SG 3.54Å
279	R	90.8	Very high	89.7	Confident	14 Å²	14	38.9 Å²	38.9	5%	0.053	20%	0.203	C	C	.	.			trans	-93.3	-32.8	-168.4	-46.2	-168.8	177.7	-155.7	4.8	113.9	Q54 W251 I272	Q54-R279 VanDerWaalsContact NE2-CD 3.26Å; Q54-R279 VanDerWaalsContact NE2-NH1 3.13Å; W251-R279 VanDerWaalsContact CD1-O 3.25Å; W251-R279 PolarHBondContact NE1-O 3.02Å; I272-R279 VanDerWaalsContact CB-NH2 3.33Å; I272-R279 PolarHBondContact O-NH2 3.23Å
280	Y	90.7	Very high	90.1	Very high	27 Å²	27	43 Å²	43	11%	0.106	21%	0.214	C	C	.	.	S	Bend	trans	-119.1	145.8	-174.7	-56.1	-71.4	0	0	0	110	K52 Q54 W251 I278 E282 D283 C284	K52-Y280 HydrophobicContact CB-CD1 4.4Å; K52-Y280 HydrophobicContact CB-CE1 3.96Å; K52-Y280 HydrophobicContact CD-CD1 4.29Å; K52-Y280 HydrophobicContact CD-CE1 4.5Å; K52-Y280 HydrophobicContact CG-CE1 4.22Å; K52-Y280 WeakPolarHBondContact O-CE1 2.98Å; K52-Y280 PolarHBondContact O-OH 2.87Å; Q54-Y280 HydrophobicContact CG-CE1 4.22Å; Q54-Y280 PolarHBondContact NE2-OH 3.48Å; W251-Y280 VanDerWaalsContact CD1-C 3.49Å; I278-Y280 WeakPolarHBondContact CG2-O 3.44Å; Y280-E282 VanDerWaalsContact C-N 3.27Å; Y280-E282 PolarHBondContact O-N 2.78Å; Y280-D283 WeakPolarHBondContact CD2-OD2 3.46Å; Y280-D283 PolarHBondContact O-N 2.84Å; Y280-C284 PolarHBondContact O-N 3.09Å; Y280-C284 VanDerWaalsContact O-N 3.17Å
281	K	93.3	Very high	90.2	Very high	78 Å²	78	44.6 Å²	44.6	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-43.6	180	-173	-177.4	-173.7	-150.1	0	110.7	W251 C258 D283 C284 E285	W251-K281 HydrophobicContact CD2-CB 3.69Å; W251-K281 HydrophobicContact CD2-CG 4.09Å; W251-K281 HydrophobicContact CE3-CB 3.73Å; W251-K281 HydrophobicContact CE3-CD 4.26Å; W251-K281 HydrophobicContact CE3-CG 3.58Å; W251-K281 HydrophobicContact CG-CB 4.43Å; W251-K281 HydrophobicContact CH2-CB 3.76Å; W251-K281 HydrophobicContact CH2-CD 3.74Å; W251-K281 HydrophobicContact CH2-CG 3.85Å; W251-K281 HydrophobicContact CZ2-CB 3.72Å; W251-K281 HydrophobicContact CZ2-CG 4.32Å; W251-K281 HydrophobicContact CZ3-CB 3.76Å; W251-K281 HydrophobicContact CZ3-CD 3.59Å; W251-K281 HydrophobicContact CZ3-CG 3.45Å; W251-K281 VanDerWaalsContact CZ3-CG 3.45Å; C258-K281 HydrophobicContact CB-CG 4.22Å; K281-D283 PolarHBondContact O-N 2.89Å; K281-C284 WeakPolarHBondContact O-CA 3.41Å; K281-C284 WeakPolarHBondContact O-CB 2.98Å; K281-C284 PolarHBondContact O-N 2.9Å; K281-E285 WeakPolarHBondContact CE-OE1 3.22Å; K281-E285 HydrophobicContact CG-CG 4.4Å; K281-E285 IonicContact NZ-OE1 3.23Å; K281-E285 PolarHBondContact NZ-OE1 3.36Å; K281-E285 WeakPolarHBondContact O-CG 3.41Å; K281-E285 PolarHBondContact O-N 3.19Å
282	E	90.9	Very high	90.2	Very high	69 Å²	69	47.5 Å²	47.5	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-34.3	-176.5	-58.1	74.1	-160.4	0	0	111	Y280 T286	Y280-E282 VanDerWaalsContact C-N 3.27Å; Y280-E282 PolarHBondContact O-N 2.78Å; E282-T286 VanDerWaalsContact O-CB 3.3Å; E282-T286 WeakPolarHBondContact O-CB 2.97Å; E282-T286 PolarHBondContact O-N 3.32Å; E282-T286 PolarHBondContact O-OG1 2.04Å
283	D	91.1	Very high	90.2	Very high	16 Å²	16	54.7 Å²	54.7	9%	0.086	28%	0.276	C	S	.	.	H	α-helix	trans	-69.6	-40.4	173.7	-69.9	-13.2	0	0	0	110.9	I278 Y280 K281 T286 I287 L294 R301	I278-D283 HydrophobicContact CG2-CB 3.67Å; Y280-D283 WeakPolarHBondContact CD2-OD2 3.46Å; Y280-D283 PolarHBondContact O-N 2.84Å; K281-D283 PolarHBondContact O-N 2.89Å; D283-T286 PolarHBondContact O-N 2.95Å; D283-I287 HydrophobicContact CB-CD1 4.43Å; D283-I287 WeakPolarHBondContact O-CB 3.39Å; D283-I287 WeakPolarHBondContact O-CD1 3.34Å; D283-I287 WeakPolarHBondContact O-CG1 3.35Å; D283-I287 PolarHBondContact O-N 3.07Å; D283-L294 HydrophobicContact CB-CD1 3.8Å; D283-R301 WeakPolarHBondContact OD1-CD 3.39Å; D283-R301 IonicContact OD1-CZ 3.48Å; D283-R301 IonicContact OD1-NE 3.67Å; D283-R301 IonicContact OD1-NH1 2.73Å; D283-R301 PolarHBondContact OD1-NH1 3.26Å
284	C	94.9	Very high	89.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-46.9	174.6	173	0	0	0	0	110.8	W251 C258 I278 Y280 K281 T286 I287 C288	W251-C284 HydrophobicContact CB-CB 3.76Å; C258-C284 HydrophobicContact CB-CB 3.76Å; C258-C284 WeakPolarHBondContact CB-SG 3.45Å; C258-C284 WeakPolarHBondContact SG-CB 3.45Å; C258-C284 CovalentContact SG-SG 2.05Å; C258-C284 PolarHBondContact SG-SG 2.78Å; I278-C284 HydrophobicContact CD1-CB 4.24Å; I278-C284 HydrophobicContact CG2-CB 3.93Å; Y280-C284 PolarHBondContact O-N 3.09Å; Y280-C284 VanDerWaalsContact O-N 3.17Å; K281-C284 WeakPolarHBondContact O-CA 3.41Å; K281-C284 WeakPolarHBondContact O-CB 2.98Å; K281-C284 PolarHBondContact O-N 2.9Å; C284-T286 VanDerWaalsContact C-N 3.27Å; C284-T286 PolarHBondContact O-N 3.35Å; C284-I287 PolarHBondContact O-N 2.77Å; C284-C288 WeakPolarHBondContact O-CA 3.46Å; C284-C288 WeakPolarHBondContact O-CB 3.41Å; C284-C288 PolarHBondContact O-N 2.73Å
285	E	94.8	Very high	88.9	Confident	53 Å²	53	55 Å²	55	25%	0.248	28%	0.277	C	S	.	.	I	π-helix	trans	-61.7	-40.2	178.3	-67.7	174.4	176.1	0	0	110.6	C258 K281 I289 R290	C258-E285 HydrophobicContact CB-CG 4.02Å; C258-E285 PolarHBondContact SG-N 2.97Å; K281-E285 WeakPolarHBondContact CE-OE1 3.22Å; K281-E285 HydrophobicContact CG-CG 4.4Å; K281-E285 IonicContact NZ-OE1 3.23Å; K281-E285 PolarHBondContact NZ-OE1 3.36Å; K281-E285 WeakPolarHBondContact O-CG 3.41Å; K281-E285 PolarHBondContact O-N 3.19Å; E285-I289 HydrophobicContact CB-CD1 4.42Å; E285-I289 HydrophobicContact CG-CD1 4.16Å; E285-I289 WeakPolarHBondContact O-CB 3.37Å; E285-I289 PolarHBondContact O-N 3.32Å; E285-R290 PolarHBondContact O-N 3.01Å
286	T	91.9	Very high	87.5	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.037	29%	0.29	C	S	.	.	I	π-helix	trans	-65.5	-48.5	177.4	-57.9	0	0	0	0	112.3	E282 D283 C284 R290 G291 Q292 L294 R301	E282-T286 VanDerWaalsContact O-CB 3.3Å; E282-T286 WeakPolarHBondContact O-CB 2.97Å; E282-T286 PolarHBondContact O-N 3.32Å; E282-T286 PolarHBondContact O-OG1 2.04Å; D283-T286 PolarHBondContact O-N 2.95Å; C284-T286 VanDerWaalsContact C-N 3.27Å; C284-T286 PolarHBondContact O-N 3.35Å; T286-R290 WeakPolarHBondContact O-CB 3.3Å; T286-G291 PolarHBondContact O-N 2.79Å; T286-Q292 HydrophobicContact CG2-CB 3.72Å; T286-Q292 PolarHBondContact O-N 2.96Å; T286-L294 HydrophobicContact CG2-CD2 3.54Å; T286-L294 HydrophobicContact CG2-CG 4.5Å; T286-R301 PolarHBondContact OG1-NH1 2.84Å
287	I	93	Very high	86	Confident	26 Å²	26	60.1 Å²	60.1	13%	0.133	30%	0.298	C	S	.	.	I	π-helix	trans	-77.4	-50.8	-173.8	-64.4	161.6	0	0	0	110.7	Y228 I278 D283 C284 G291 Q292 L294	Y228-I287 HydrophobicContact CD2-CD1 3.44Å; Y228-I287 VanDerWaalsContact CD2-CD1 3.44Å; Y228-I287 HydrophobicContact CE2-CD1 4.01Å; Y228-I287 HydrophobicContact CG-CD1 3.79Å; I278-I287 HydrophobicContact CD1-CB 4.48Å; I278-I287 HydrophobicContact CD1-CD1 4.13Å; I278-I287 HydrophobicContact CG1-CD1 4.4Å; D283-I287 HydrophobicContact CB-CD1 4.43Å; D283-I287 WeakPolarHBondContact O-CB 3.39Å; D283-I287 WeakPolarHBondContact O-CD1 3.34Å; D283-I287 WeakPolarHBondContact O-CG1 3.35Å; D283-I287 PolarHBondContact O-N 3.07Å; C284-I287 PolarHBondContact O-N 2.77Å; I287-G291 VanDerWaalsContact O-CA 3.24Å; I287-G291 WeakPolarHBondContact O-CA 3.39Å; I287-G291 PolarHBondContact O-N 2.68Å; I287-Q292 WeakPolarHBondContact CA-O 3.24Å; I287-L294 HydrophobicContact CD1-CD1 3.56Å; I287-L294 HydrophobicContact CD1-CG 3.89Å; I287-L294 HydrophobicContact CG1-CD1 3.85Å; I287-L294 HydrophobicContact CG1-CG 3.68Å
288	C	95.7	Very high	84.1	Confident	22 Å²	22	61 Å²	61	15%	0.149	30%	0.304	C	S	.	.	I	π-helix	trans	-93.1	-32	-164.4	-57.8	0	0	0	0	113.4	C230 L253 I278 C284	C230-C288 WeakPolarHBondContact CA-SG 2.87Å; C230-C288 HydrophobicContact CB-CB 3.76Å; C230-C288 WeakPolarHBondContact CB-SG 2.87Å; C230-C288 WeakPolarHBondContact SG-CA 3.31Å; C230-C288 WeakPolarHBondContact SG-CB 3.3Å; C230-C288 CovalentContact SG-SG 2.04Å; C230-C288 PolarHBondContact SG-SG 3.32Å; L253-C288 HydrophobicContact CB-CB 3.94Å; L253-C288 HydrophobicContact CD2-CB 4.13Å; L253-C288 HydrophobicContact CG-CB 4.43Å; I278-C288 VanDerWaalsContact CD1-SG 3.54Å; C284-C288 WeakPolarHBondContact O-CA 3.46Å; C284-C288 WeakPolarHBondContact O-CB 3.41Å; C284-C288 PolarHBondContact O-N 2.73Å
289	I	94.7	Very high	82.2	Confident	88 Å²	88	61.7 Å²	61.7	45%	0.451	31%	0.311	S	S	.	.	I	π-helix	trans	-93.4	-48.1	177.8	-57	177.2	0	0	0	110.3	L253 G256 E285	L253-I289 HydrophobicContact CD1-CD1 4.15Å; L253-I289 HydrophobicContact CD1-CG1 3.62Å; G256-I289 WeakPolarHBondContact O-CD1 3.42Å; E285-I289 HydrophobicContact CB-CD1 4.42Å; E285-I289 HydrophobicContact CG-CD1 4.16Å; E285-I289 WeakPolarHBondContact O-CB 3.37Å; E285-I289 PolarHBondContact O-N 3.32Å
290	R	94	Very high	80.7	Confident	157 Å²	157	66.7 Å²	66.7	59%	0.592	34%	0.335	S	S	*	.	S	Bend	trans	-85.6	-9.9	-177.9	-56	176.4	-172.7	163.5	2.8	113.9	E285 T286 Q292	E285-R290 PolarHBondContact O-N 3.01Å; T286-R290 WeakPolarHBondContact O-CB 3.3Å; R290-Q292 HydrophobicContact CB-CG 4.09Å; R290-Q292 PolarHBondContact O-N 2.88Å
291	G	89	Confident	79.3	Confident	62 Å²	62	69.2 Å²	69.2	64%	0.639	34%	0.344	S	S	*	.			trans	67.4	19.6	179.9	0	0	0	0	0	114.3	T286 I287	T286-G291 PolarHBondContact O-N 2.79Å; I287-G291 VanDerWaalsContact O-CA 3.24Å; I287-G291 WeakPolarHBondContact O-CA 3.39Å; I287-G291 PolarHBondContact O-N 2.68Å
292	Q	83.6	Confident	77.5	Confident	107 Å²	107	73.8 Å²	73.8	50%	0.5	36%	0.364	S	S	.	.			trans	-88.7	130.3	-176	-66	-178.1	-13	0	0	110.9	T286 I287 R290 L294	T286-Q292 HydrophobicContact CG2-CB 3.72Å; T286-Q292 PolarHBondContact O-N 2.96Å; I287-Q292 WeakPolarHBondContact CA-O 3.24Å; R290-Q292 HydrophobicContact CB-CG 4.09Å; R290-Q292 PolarHBondContact O-N 2.88Å; Q292-L294 PolarHBondContact O-N 3.26Å
293	K	79.2	Confident	75.8	Confident	191 Å²	191	74.9 Å²	74.9	83%	0.83	37%	0.368	S	S	*	.			trans	-72.6	126	170.1	-68.1	-174.1	179.2	-178	0	109.7	N295	K293-N295 PolarHBondContact O-N 3.23Å
294	L	71	Confident	74	Confident	29 Å²	29	80.4 Å²	80.4	15%	0.152	40%	0.398	C	S	.	.			trans	-79.2	113	169.8	-63	-172.8	0	0	0	109.6	D283 T286 I287 Q292 I296 R301	D283-L294 HydrophobicContact CB-CD1 3.8Å; T286-L294 HydrophobicContact CG2-CD2 3.54Å; T286-L294 HydrophobicContact CG2-CG 4.5Å; I287-L294 HydrophobicContact CD1-CD1 3.56Å; I287-L294 HydrophobicContact CD1-CG 3.89Å; I287-L294 HydrophobicContact CG1-CD1 3.85Å; I287-L294 HydrophobicContact CG1-CG 3.68Å; Q292-L294 PolarHBondContact O-N 3.26Å; L294-I296 PolarHBondContact O-N 3.46Å; L294-R301 VanDerWaalsContact CD2-CZ 3.43Å
295	N	61.5	Low	71.9	Confident	158 Å²	158	87.5 Å²	87.5	85%	0.845	43%	0.43	S	S	*	.			trans	-86.3	37.3	167.4	-67.2	-25.2	0	0	0	110.9	K293	K293-N295 PolarHBondContact O-N 3.23Å
296	I	60.1	Low	69.7	Low	58 Å²	58	92.7 Å²	92.7	30%	0.297	46%	0.455	S	S	.	.	S	Bend	trans	-124.5	129.7	-174.1	-53.4	173.8	0	0	0	106.8	L294 Q300 R301	L294-I296 PolarHBondContact O-N 3.46Å; I296-Q300 HydrophobicContact CG2-CB 3.57Å; I296-R301 HydrophobicContact CD1-CG 3.47Å; I296-R301 VanDerWaalsContact CD1-CG 3.47Å; I296-R301 VanDerWaalsContact CD1-NE 3.28Å; I296-R301 HydrophobicContact CG2-CG 4.1Å
297	Q	59.8	Low	67.3	Low	100 Å²	100	99.9 Å²	99.9	47%	0.467	49%	0.487	S	S	.	.			trans	-61.9	141.8	172.1	-64.9	-168.2	-2.1	0	0	108.9	G299 Q300	Q297-G299 PolarHBondContact O-N 3.3Å; Q297-Q300 HydrophobicContact CB-CG 4.14Å; Q297-Q300 PolarHBondContact O-N 3.1Å; Q297-Q300 VanDerWaalsContact O-N 3.1Å
298	P	53.8	Low	64.9	Low	19 Å²	19	106.9 Å²	106.9	12%	0.123	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	120.2	174.9	-22.9	26.8	0	0	0	110.8	V226 Y228 I272	V226-P298 HydrophobicContact CG2-CG 4.23Å; Y228-P298 WeakPolarHBondContact OH-CG 3.47Å; I272-P298 HydrophobicContact CG2-CB 4.15Å; I272-P298 WeakPolarHBondContact O-CG 3.19Å
299	G	52.4	Low	62.3	Low	16 Å²	16	113.5 Å²	113.5	17%	0.165	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	34.3	-178.2	0	0	0	0	0	115.8	L51 Q297	L51-G299 WeakPolarHBondContact CD1-O 3.4Å; Q297-G299 PolarHBondContact O-N 3.3Å
300	Q	59.2	Low	59.9	Low	118 Å²	118	116.1 Å²	116.1	55%	0.551	56%	0.558	S	S	*	*			trans	-121.7	10.6	172.8	-71.2	-167.1	-28	0	0	115.2	I296 Q297 K302	I296-Q300 HydrophobicContact CG2-CB 3.57Å; Q297-Q300 HydrophobicContact CB-CG 4.14Å; Q297-Q300 PolarHBondContact O-N 3.1Å; Q297-Q300 VanDerWaalsContact O-N 3.1Å; Q300-K302 PolarHBondContact O-N 3.02Å
301	R	60.5	Low	57.2	Low	81 Å²	81	115 Å²	115	31%	0.306	56%	0.563	S	S	.	*			trans	-85.8	97.3	177	-83.3	-173.5	162.7	-175	-13.5	112.3	L51 D283 T286 L294 I296 F303	L51-R301 WeakPolarHBondContact CD2-O 3.34Å; D283-R301 WeakPolarHBondContact OD1-CD 3.39Å; D283-R301 IonicContact OD1-CZ 3.48Å; D283-R301 IonicContact OD1-NE 3.67Å; D283-R301 IonicContact OD1-NH1 2.73Å; D283-R301 PolarHBondContact OD1-NH1 3.26Å; T286-R301 PolarHBondContact OG1-NH1 2.84Å; L294-R301 VanDerWaalsContact CD2-CZ 3.43Å; I296-R301 HydrophobicContact CD1-CG 3.47Å; I296-R301 VanDerWaalsContact CD1-CG 3.47Å; I296-R301 VanDerWaalsContact CD1-NE 3.28Å; I296-R301 HydrophobicContact CG2-CG 4.1Å; R301-F303 PolarHBondContact O-N 3.39Å
302	K	56.7	Low	55.4	Low	173 Å²	173	120.2 Å²	120.2	75%	0.752	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-52.9	130.1	166.4	-71.7	-173.6	177.5	-175.7	0	109.4	Q300	Q300-K302 PolarHBondContact O-N 3.02Å
303	F	56	Low	53.5	Low	92 Å²	92	121.8 Å²	121.8	40%	0.404	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-74.6	125.7	171.5	-94.3	-97.3	0	0	0	109.4	K52 R301 H305	K52-F303 HydrophobicContact CB-CD2 4.22Å; K52-F303 HydrophobicContact CB-CE2 3.43Å; K52-F303 VanDerWaalsContact CB-CE2 3.43Å; K52-F303 HydrophobicContact CB-CZ 3.93Å; K52-F303 HydrophobicContact CD-CE2 4.49Å; K52-F303 HydrophobicContact CD-CZ 4.15Å; R301-F303 PolarHBondContact O-N 3.39Å; F303-H305 PolarHBondContact O-N 3.4Å
304	D	53	Low	51.7	Low	132 Å²	132	123.9 Å²	123.9	71%	0.706	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-72.9	117.1	159.2	-75.1	-35	0	0	0	107.4	H306	D304-H306 PolarHBondContact O-N 3.32Å
305	H	50.7	Low	50.4	Low	149 Å²	149	133.3 Å²	133.3	69%	0.69	62%	0.619	S	S	*	*			trans	-69.3	41.3	175	-79	-66.3	0	0	0	112.8	F303 H307	F303-H305 PolarHBondContact O-N 3.4Å; H305-H307 VanDerWaalsContact C-N 3.33Å; H305-H307 PolarHBondContact O-N 3.38Å
306	H	47.2	Very low	49.8	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.755	62%	0.622	S	S	*	*			trans	-69.6	100.2	168.7	-78.1	-53.1	0	0	0	108.4	D304 H308	D304-H306 PolarHBondContact O-N 3.32Å; H306-H308 PolarHBondContact O-N 3.14Å
307	H	42.1	Very low	49.2	Very low	157 Å²	157	145 Å²	145	73%	0.727	65%	0.649	S	S	*	*			trans	-37.1	105.4	168.3	-82.9	37.7	0	0	0	110.1	H305 H309	H305-H307 VanDerWaalsContact C-N 3.33Å; H305-H307 PolarHBondContact O-N 3.38Å; H307-H309 PolarHBondContact O-N 3.05Å
308	H	43.6	Very low	49.1	Very low	173 Å²	173	150.2 Å²	150.2	80%	0.801	69%	0.688	S	S	*	*			trans	-68.7	83.2	144.2	-90.7	-54.7	0	0	0	106.2	H306 H310	H306-H308 PolarHBondContact O-N 3.14Å; H308-H310 PolarHBondContact O-N 3.39Å
309	H	40	Very low	48.9	Very low	160 Å²	160	156.8 Å²	156.8	74%	0.741	72%	0.716	S	S	*	*			trans	-56.1	97.3	148	-111	-71.4	0	0	0	104.9	H307 D311	H307-H309 PolarHBondContact O-N 3.05Å; H309-D311 VanDerWaalsContact C-N 3.26Å; H309-D311 PolarHBondContact O-N 2.9Å
310	H	45.1	Very low	48.7	Very low	144 Å²	144	164.2 Å²	164.2	67%	0.667	75%	0.745	S	S	*	*			trans	-59.8	102.2	161.9	-96.2	-72.6	0	0	0	105.8	H308 H312	H308-H310 PolarHBondContact O-N 3.39Å; H310-H312 PolarHBondContact O-N 3.34Å
311	D	37.8	Very low	48.1	Very low	133 Å²	133	166.7 Å²	166.7	71%	0.711	76%	0.755	S	S	*	*			trans	-64.9	86.9	167.7	-163.1	-1.5	0	0	0	107	H309 N313	H309-D311 VanDerWaalsContact C-N 3.26Å; H309-D311 PolarHBondContact O-N 2.9Å; D311-N313 PolarHBondContact O-N 2.76Å; D311-N313 VanDerWaalsContact O-N 3.08Å; D311-N313 WeakPolarHBondContact OD1-CB 3.3Å
312	H	50.8	Low	47.4	Very low	172 Å²	172	171.8 Å²	171.8	80%	0.796	78%	0.782	S	S	*	*			trans	-73.1	16.8	175.9	-94.3	-66.9	0	0	0	112.5	H310	H310-H312 PolarHBondContact O-N 3.34Å
313	N	42.5	Very low	46.8	Very low	140 Å²	140	171.7 Å²	171.7	75%	0.749	78%	0.784	S	S	*	*			trans	-116.5	51	-169	-125.5	-1.6	0	0	0	113.2	D311	D311-N313 PolarHBondContact O-N 2.76Å; D311-N313 VanDerWaalsContact O-N 3.08Å; D311-N313 WeakPolarHBondContact OD1-CB 3.3Å
314	R	41.7	Very low	46.2	Very low	234 Å²	234	177 Å²	177	88%	0.883	81%	0.809	S	S	*	*			trans	-161.2	78.2	164.4	-119.4	174.6	-168.8	-172.9	4.1	113.6
315	R	43.2	Very low	45.7	Very low	227 Å²	227	180.2 Å²	180.2	86%	0.857	82%	0.817	S	S	*	*			trans	-167.1	75.9	148.6	-102.3	170.7	-151.6	-162.9	6.9	108.4	Y317	R315-Y317 PolarHBondContact O-N 2.77Å
316	R	51	Low	45.3	Very low	244 Å²	244	182.6 Å²	182.6	92%	0.921	83%	0.826	S	S	*	*			trans	-73	115.2	151.7	-82.4	-173.6	-175.9	175.1	1.8	105.9	T318	R316-T318 PolarHBondContact O-N 3.23Å
317	Y	46.7	Very low	45.2	Very low	219 Å²	219	184.3 Å²	184.3	86%	0.859	83%	0.832	S	S	*	*			trans	-61.6	124	159.7	-84.6	-96	0	0	0	108.2	R315	R315-Y317 PolarHBondContact O-N 2.77Å
318	T	57.6	Low	45.5	Very low	208 Å²	208	186.7 Å²	186.7	100%	1.276	84%	0.842	S	S	*	*			trans	-132.6	0	151.6	47.1	0	0	0	0	106	R316	R316-T318 PolarHBondContact O-N 3.23Å

Retrieved 318 of 318 residues in 491.5 ms (Link to these results)

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