A0A077Z2V0_TRITR Loading...

Nuclear cap-binding protein subunit 3

AlphaFold DB , UniProt , Accession A0A077Z2V0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 263 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	56.1	Low	55	Low	252 Å²	252	167.3 Å²	167.3	100%	1.241	86%	0.862	S	S	*	*				0	103.4	0	-100.8	171.5	-177.8	0	0	105.9
2	E	42.3	Very low	55.8	Low	180 Å²	180	166.8 Å²	166.8	84%	0.841	85%	0.853	S	S	*	*			trans	-93	161.7	-170.6	-58	168.1	123.1	0	0	111
3	C	46.9	Very low	56.1	Low	109 Å²	109	162.5 Å²	162.5	74%	0.736	84%	0.843	S	S	*	*			trans	74.9	140.5	152.8	-55.9	0	0	0	0	115.4
4	L	54.9	Low	56.3	Low	161 Å²	161	157.6 Å²	157.6	84%	0.843	84%	0.838	S	S	*	*			cis	-154.2	145.2	31.1	-72.9	162.4	0	0	0	110
5	S	50.3	Low	56.4	Low	106 Å²	106	159.9 Å²	159.9	74%	0.741	84%	0.842	S	S	*	*			trans	-88.6	124.9	170.4	39.2	0	0	0	0	110.6
6	D	62.6	Low	56.4	Low	164 Å²	164	157.1 Å²	157.1	88%	0.877	84%	0.839	S	S	*	*			trans	-86.2	106.2	170.1	-71.3	-38.5	0	0	0	109.9
7	E	60.2	Low	55.8	Low	185 Å²	185	152 Å²	152	86%	0.864	83%	0.833	S	S	*	*			trans	-84.1	114.6	166.7	-66.3	-167.9	116.6	0	0	108.9	E9	E7-E9 PolarHBondContact O-N 3.35Å
8	N	60.2	Low	55.6	Low	145 Å²	145	150.7 Å²	150.7	78%	0.775	83%	0.83	S	S	*	*			trans	-88.4	96.2	177	-162.1	20.7	0	0	0	108.6	Q10	N8-Q10 PolarHBondContact O-N 2.7Å
9	E	58.2	Low	54.9	Low	186 Å²	186	151.3 Å²	151.3	87%	0.869	83%	0.832	S	S	*	*			trans	-75.1	102.5	-179.2	-148.7	171.2	167.7	0	0	109.6	E7 M11	E7-E9 PolarHBondContact O-N 3.35Å; E9-M11 PolarHBondContact O-N 3.49Å
10	Q	57.4	Low	54.2	Low	166 Å²	166	152.9 Å²	152.9	78%	0.776	83%	0.833	S	S	*	*			trans	-74.7	110.5	174.3	-70.6	-179.5	4.8	0	0	109.3	N8 E12	N8-Q10 PolarHBondContact O-N 2.7Å; Q10-E12 PolarHBondContact O-N 2.75Å
11	M	55.8	Low	53.5	Low	186 Å²	186	153.8 Å²	153.8	92%	0.916	83%	0.831	S	S	*	*			trans	-76.2	105	176.1	-163.5	174.6	-73.6	0	0	109.3	E9	E9-M11 PolarHBondContact O-N 3.49Å
12	E	65.4	Low	52.8	Low	161 Å²	161	147.5 Å²	147.5	75%	0.752	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-61.4	133.6	172.7	-74	-70	150.1	0	0	111	Q10	Q10-E12 PolarHBondContact O-N 2.75Å
13	P	58.7	Low	53	Low	112 Å²	112	144.4 Å²	144.4	73%	0.727	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.7	132.3	179.7	30.4	-31.3	0	0	0	110.9	E15	P13-E15 PolarHBondContact O-N 2.96Å
14	A	59	Low	53.5	Low	93 Å²	93	146.6 Å²	146.6	77%	0.769	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-49.2	129.2	177.6	0	0	0	0	0	112.9	S16	A14-S16 PolarHBondContact O-N 3Å
15	E	58.2	Low	53.8	Low	192 Å²	192	150 Å²	150	90%	0.897	81%	0.814	S	S	*	*			trans	-50.3	111.8	171.9	-67.7	-175.8	150.8	0	0	110.6	P13 G17	P13-E15 PolarHBondContact O-N 2.96Å; E15-G17 PolarHBondContact O-N 3.32Å
16	S	55.7	Low	54.9	Low	115 Å²	115	148.5 Å²	148.5	80%	0.804	79%	0.794	S	S	*	*			trans	-68.2	100.3	168.9	-70.7	0	0	0	0	108.4	A14 T18	A14-S16 PolarHBondContact O-N 3Å; S16-T18 PolarHBondContact O-N 2.93Å
17	G	47.3	Very low	56	Low	71 Å²	71	145.2 Å²	145.2	73%	0.732	78%	0.776	S	S	*	*			trans	-51.4	107.9	172	0	0	0	0	0	110.4	E15 L19	E15-G17 PolarHBondContact O-N 3.32Å; G17-L19 PolarHBondContact O-N 3.32Å
18	T	51	Low	57.4	Low	128 Å²	128	137.9 Å²	137.9	79%	0.785	74%	0.743	S	S	*	*			trans	-65.6	106.7	170.5	-63	0	0	0	0	107.2	S16 Q20	S16-T18 PolarHBondContact O-N 2.93Å; T18-Q20 VanDerWaalsContact C-N 3.33Å; T18-Q20 PolarHBondContact O-N 3.23Å
19	L	43.8	Very low	58.6	Low	163 Å²	163	138.9 Å²	138.9	85%	0.853	74%	0.74	S	S	*	*			trans	-55.4	99.8	165.2	-85.5	159.6	0	0	0	107.7	G17 Q21	G17-L19 PolarHBondContact O-N 3.32Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.04Å
20	Q	39.6	Very low	60	Low	183 Å²	183	131 Å²	131	86%	0.855	71%	0.707	S	S	*	*			trans	-60.3	99.8	166	-75.4	176.3	-13.2	0	0	107	T18	T18-Q20 VanDerWaalsContact C-N 3.33Å; T18-Q20 PolarHBondContact O-N 3.23Å
21	Q	41	Very low	61.5	Low	171 Å²	171	123.5 Å²	123.5	80%	0.799	67%	0.672	S	S	*	*			trans	-63.2	131	164.6	-69.5	-162.1	-3.1	0	0	107.2	L19 S23	L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.04Å; Q21-S23 PolarHBondContact O-N 2.98Å
22	P	40.6	Very low	63.1	Low	121 Å²	121	115.9 Å²	115.9	79%	0.786	63%	0.633	S	S	*	*			trans	-61.5	108.5	-179.4	24.4	-31.7	0	0	0	108.2	D24	P22-D24 PolarHBondContact O-N 3.02Å
23	S	47.3	Very low	64.1	Low	114 Å²	114	115.5 Å²	115.5	80%	0.797	63%	0.625	S	S	*	*			trans	-76.7	51.9	176.6	57.3	0	0	0	0	110.8	Q21 R25	Q21-S23 PolarHBondContact O-N 2.98Å; S23-R25 PolarHBondContact O-N 2.91Å
24	D	55.9	Low	65.3	Low	155 Å²	155	115.3 Å²	115.3	83%	0.829	62%	0.618	S	S	*	*			trans	-70.6	81.1	155.5	-92.9	-12.5	0	0	0	105.9	P22 F26	P22-D24 PolarHBondContact O-N 3.02Å; D24-F26 PolarHBondContact O-N 2.8Å
25	R	62.7	Low	66.4	Low	234 Å²	234	111.3 Å²	111.3	88%	0.883	58%	0.583	S	S	*	*			trans	-60.1	104.4	177.8	-178.3	-176.5	177.4	-178.7	1.4	107.1	S23 D27	S23-R25 PolarHBondContact O-N 2.91Å; R25-D27 PolarHBondContact O-N 2.85Å; R25-D27 VanDerWaalsContact O-N 3.07Å
26	F	73.3	Confident	67.6	Low	74 Å²	74	103.9 Å²	103.9	33%	0.325	56%	0.558	S	S	.	*			trans	-52.7	110.8	175.7	-171.4	-113.1	0	0	0	111.3	D24 L28 L31 A94 L98	D24-F26 PolarHBondContact O-N 2.8Å; F26-L28 HydrophobicContact CD1-CD2 3.74Å; F26-L28 HydrophobicContact CD1-CG 3.86Å; F26-L28 HydrophobicContact CE1-CD2 3.42Å; F26-L28 VanDerWaalsContact CE1-CD2 3.42Å; F26-L28 HydrophobicContact CE1-CG 4.02Å; F26-L28 PolarHBondContact O-N 3.47Å; F26-L31 HydrophobicContact CE1-CD2 4.22Å; F26-L31 HydrophobicContact CZ-CD2 3.78Å; F26-A94 HydrophobicContact CE1-CB 3.53Å; F26-A94 HydrophobicContact CZ-CB 3.9Å; F26-L98 HydrophobicContact CD2-CD1 4.42Å; F26-L98 HydrophobicContact CE2-CD1 3.15Å; F26-L98 HydrophobicContact CZ-CD1 3.37Å; F26-L98 HydrophobicContact CZ-CG 4.47Å
27	D	85.8	Confident	69.1	Low	95 Å²	95	98.8 Å²	98.8	51%	0.508	52%	0.522	S	S	.	.			trans	-84.5	89.2	176.6	-172.2	-0.2	0	0	0	110.4	R25 K29 A30 L31	R25-D27 PolarHBondContact O-N 2.85Å; R25-D27 VanDerWaalsContact O-N 3.07Å; D27-K29 PolarHBondContact O-N 2.84Å; D27-K29 WeakPolarHBondContact OD1-CB 3.49Å; D27-K29 PolarHBondContact OD1-N 2.75Å; D27-A30 HydrophobicContact CB-CB 3.96Å; D27-A30 PolarHBondContact O-N 3Å; D27-A30 VanDerWaalsContact O-N 3.16Å; D27-A30 PolarHBondContact OD1-N 2.9Å; D27-L31 PolarHBondContact O-N 2.85Å; D27-L31 VanDerWaalsContact O-N 3.15Å
28	L	88	Confident	70.9	Confident	31 Å²	31	99.6 Å²	99.6	16%	0.162	51%	0.509	C	S	.	.	H	α-helix	trans	-50.7	-36.6	174	-74.8	167.2	0	0	0	112.8	F26 L31 Y32 E91 A94	F26-L28 HydrophobicContact CD1-CD2 3.74Å; F26-L28 HydrophobicContact CD1-CG 3.86Å; F26-L28 HydrophobicContact CE1-CD2 3.42Å; F26-L28 VanDerWaalsContact CE1-CD2 3.42Å; F26-L28 HydrophobicContact CE1-CG 4.02Å; F26-L28 PolarHBondContact O-N 3.47Å; L28-L31 WeakPolarHBondContact O-CB 3.5Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-Y32 HydrophobicContact CB-CE2 4.08Å; L28-Y32 HydrophobicContact CD2-CE1 4.45Å; L28-Y32 VanDerWaalsContact O-CD2 3.24Å; L28-Y32 WeakPolarHBondContact O-CD2 3.45Å; L28-Y32 PolarHBondContact O-N 3.21Å; L28-E91 HydrophobicContact CD1-CG 4.08Å; L28-A94 HydrophobicContact CD2-CB 3.59Å
29	K	86.7	Confident	72.4	Confident	165 Å²	165	99.4 Å²	99.4	72%	0.717	51%	0.51	S	S	*	.	H	α-helix	trans	-71.8	-38.1	-176.6	-63.3	-179	179.3	179.8	0	111.3	D27 L31 R33	D27-K29 PolarHBondContact O-N 2.84Å; D27-K29 WeakPolarHBondContact OD1-CB 3.49Å; D27-K29 PolarHBondContact OD1-N 2.75Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-R33 PolarHBondContact O-N 3.23Å; K29-R33 VanDerWaalsContact O-N 3.14Å
30	A	87	Confident	74.5	Confident	20 Å²	20	97.1 Å²	97.1	17%	0.165	50%	0.498	C	S	.	.	H	α-helix	trans	-61.5	-45.7	173.2	0	0	0	0	0	110.3	D27 Y32 R33 D34	D27-A30 HydrophobicContact CB-CB 3.96Å; D27-A30 PolarHBondContact O-N 3Å; D27-A30 VanDerWaalsContact O-N 3.16Å; D27-A30 PolarHBondContact OD1-N 2.9Å; A30-Y32 PolarHBondContact O-N 3.29Å; A30-R33 WeakPolarHBondContact O-CB 3.38Å; A30-R33 PolarHBondContact O-N 3.24Å; A30-D34 VanDerWaalsContact O-CG 3.28Å; A30-D34 PolarHBondContact O-N 2.84Å
31	L	88	Confident	76.7	Confident	9 Å²	9	90.9 Å²	90.9	5%	0.047	47%	0.469	C	S	.	.	H	α-helix	trans	-56.3	-53.4	175.7	-174.7	71.6	0	0	0	112.2	F26 D27 L28 K29 R33 D34 F35 A94 L98 F132	F26-L31 HydrophobicContact CE1-CD2 4.22Å; F26-L31 HydrophobicContact CZ-CD2 3.78Å; D27-L31 PolarHBondContact O-N 2.85Å; D27-L31 VanDerWaalsContact O-N 3.15Å; L28-L31 WeakPolarHBondContact O-CB 3.5Å; L28-L31 PolarHBondContact O-N 3.47Å; K29-L31 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.14Å; L31-D34 WeakPolarHBondContact O-CA 3.25Å; L31-D34 WeakPolarHBondContact O-CB 3.33Å; L31-D34 PolarHBondContact O-N 2.9Å; L31-F35 HydrophobicContact CD1-CD2 4.01Å; L31-F35 HydrophobicContact CD1-CE2 3.58Å; L31-F35 HydrophobicContact CD2-CE2 4.38Å; L31-F35 HydrophobicContact CG-CD2 3.86Å; L31-F35 HydrophobicContact CG-CE2 3.82Å; L31-F35 VanDerWaalsContact O-CD2 3.3Å; L31-F35 WeakPolarHBondContact O-CD2 3.46Å; L31-F35 PolarHBondContact O-N 2.84Å; L31-A94 HydrophobicContact CD2-CB 3.43Å; L31-A94 VanDerWaalsContact CD2-CB 3.43Å; L31-L98 HydrophobicContact CD1-CD1 3.82Å; L31-L98 HydrophobicContact CD1-CD2 3.37Å; L31-L98 HydrophobicContact CD1-CG 3.58Å; L31-L98 HydrophobicContact CD2-CD1 4.45Å; L31-L98 HydrophobicContact CD2-CG 4.42Å; L31-F132 HydrophobicContact CD2-CZ 4.3Å
32	Y	89.3	Confident	78.8	Confident	26 Å²	26	84.7 Å²	84.7	10%	0.102	45%	0.447	C	S	.	.	H	α-helix	trans	-57.1	-38.9	-178.5	-62.6	-25.8	0	0	0	111.7	L28 A30 F35 G36 I37 M47 E90 F132	L28-Y32 HydrophobicContact CB-CE2 4.08Å; L28-Y32 HydrophobicContact CD2-CE1 4.45Å; L28-Y32 VanDerWaalsContact O-CD2 3.24Å; L28-Y32 WeakPolarHBondContact O-CD2 3.45Å; L28-Y32 PolarHBondContact O-N 3.21Å; A30-Y32 PolarHBondContact O-N 3.29Å; Y32-F35 PolarHBondContact O-N 2.95Å; Y32-G36 PolarHBondContact O-N 3.15Å; Y32-I37 CarbonylContact C-O 3.56Å; Y32-I37 WeakPolarHBondContact O-CA 3.34Å; Y32-I37 VanDerWaalsContact O-CB 3.32Å; Y32-I37 WeakPolarHBondContact O-CB 3.43Å; Y32-I37 PolarHBondContact O-N 3.16Å; Y32-M47 HydrophobicContact CE1-SD 4.23Å; Y32-M47 HydrophobicContact CE2-CG 4.46Å; Y32-M47 HydrophobicContact CE2-SD 4.47Å; Y32-E90 PolarHBondContact OH-OE2 3.35Å; Y32-E90 VanDerWaalsContact OH-OE2 3.14Å; Y32-F132 AromaticContact CD1-CE2 3.91Å; Y32-F132 HydrophobicContact CD1-CE2 3.91Å; Y32-F132 AromaticContact CD1-CZ 3.96Å; Y32-F132 HydrophobicContact CD1-CZ 3.96Å; Y32-F132 AromaticContact CE1-CE1 3.99Å; Y32-F132 HydrophobicContact CE1-CE1 3.99Å; Y32-F132 HydrophobicContact CE1-CE2 4.03Å; Y32-F132 AromaticContact CE1-CZ 3.59Å; Y32-F132 HydrophobicContact CE1-CZ 3.59Å
33	R	86.7	Confident	81.2	Confident	154 Å²	154	84.6 Å²	84.6	58%	0.581	44%	0.44	S	S	*	.	H	α-helix	trans	-63.7	-41.4	174.3	-177.3	-178.4	62	-127.9	-6.2	112.3	K29 A30 L31 F35 G36	K29-R33 PolarHBondContact O-N 3.23Å; K29-R33 VanDerWaalsContact O-N 3.14Å; A30-R33 WeakPolarHBondContact O-CB 3.38Å; A30-R33 PolarHBondContact O-N 3.24Å; L31-R33 PolarHBondContact O-N 3.14Å; R33-F35 PolarHBondContact O-N 3.35Å; R33-G36 WeakPolarHBondContact O-CA 3.42Å; R33-G36 PolarHBondContact O-N 2.85Å
34	D	84.8	Confident	83.4	Confident	107 Å²	107	84.1 Å²	84.1	57%	0.572	42%	0.423	S	S	*	.	H	α-helix	trans	-65.9	-25.4	177.9	-63.3	-12.5	0	0	0	111.9	A30 L31 G36	A30-D34 VanDerWaalsContact O-CG 3.28Å; A30-D34 PolarHBondContact O-N 2.84Å; L31-D34 WeakPolarHBondContact O-CA 3.25Å; L31-D34 WeakPolarHBondContact O-CB 3.33Å; L31-D34 PolarHBondContact O-N 2.9Å; D34-G36 VanDerWaalsContact C-N 3.29Å
35	F	82.3	Confident	85.2	Confident	9 Å²	9	79 Å²	79	4%	0.039	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.1	169.6	-82.7	-77.8	0	0	0	114.8	L31 Y32 R33 I37 M97 C116 W118 F132	L31-F35 HydrophobicContact CD1-CD2 4.01Å; L31-F35 HydrophobicContact CD1-CE2 3.58Å; L31-F35 HydrophobicContact CD2-CE2 4.38Å; L31-F35 HydrophobicContact CG-CD2 3.86Å; L31-F35 HydrophobicContact CG-CE2 3.82Å; L31-F35 VanDerWaalsContact O-CD2 3.3Å; L31-F35 WeakPolarHBondContact O-CD2 3.46Å; L31-F35 PolarHBondContact O-N 2.84Å; Y32-F35 PolarHBondContact O-N 2.95Å; R33-F35 PolarHBondContact O-N 3.35Å; F35-I37 VanDerWaalsContact C-N 3.26Å; F35-I37 HydrophobicContact CB-CD1 4.42Å; F35-I37 HydrophobicContact CB-CG1 4.29Å; F35-I37 PolarHBondContact O-N 3.35Å; F35-M97 HydrophobicContact CD1-CE 3.82Å; F35-M97 HydrophobicContact CE1-CE 3.1Å; F35-M97 HydrophobicContact CE1-CG 3.86Å; F35-M97 HydrophobicContact CE1-SD 3.64Å; F35-M97 HydrophobicContact CE2-CE 4.41Å; F35-M97 HydrophobicContact CE2-CG 3.61Å; F35-M97 HydrophobicContact CE2-SD 4.48Å; F35-M97 HydrophobicContact CZ-CE 3.48Å; F35-M97 VanDerWaalsContact CZ-CE 3.48Å; F35-M97 HydrophobicContact CZ-CG 3.1Å; F35-M97 HydrophobicContact CZ-SD 3.46Å; F35-M97 WeakPolarHBondContact CZ-SD 3.41Å; F35-C116 WeakPolarHBondContact O-CB 3.47Å; F35-W118 AromaticContact CD1-CD1 3.89Å; F35-W118 HydrophobicContact CD1-CD2 4.18Å; F35-W118 AromaticContact CD1-CE2 3.79Å; F35-W118 HydrophobicContact CD1-CG 4.23Å; F35-W118 HydrophobicContact CD1-CZ2 4.25Å; F35-W118 AromaticContact CD1-NE1 3.61Å; F35-W118 HydrophobicContact CD2-CZ2 4.16Å; F35-W118 HydrophobicContact CE1-CB 4.13Å; F35-W118 AromaticContact CE1-CD1 3.43Å; F35-W118 VanDerWaalsContact CE1-CD1 3.43Å; F35-W118 AromaticContact CE1-CD2 3.13Å; F35-W118 HydrophobicContact CE1-CD2 3.13Å; F35-W118 AromaticContact CE1-CE2 3.12Å; F35-W118 AromaticContact CE1-CE3 3.71Å; F35-W118 HydrophobicContact CE1-CE3 3.71Å; F35-W118 AromaticContact CE1-CG 3.34Å; F35-W118 HydrophobicContact CE1-CG 3.34Å; F35-W118 HydrophobicContact CE1-CH2 4.18Å; F35-W118 AromaticContact CE1-CZ2 3.68Å; F35-W118 HydrophobicContact CE1-CZ2 3.68Å; F35-W118 HydrophobicContact CE1-CZ3 4.2Å; F35-W118 AromaticContact CE1-NE1 3.3Å; F35-W118 VanDerWaalsContact CE1-NE1 3.3Å; F35-W118 HydrophobicContact CE2-CD2 4.31Å; F35-W118 AromaticContact CE2-CE2 3.95Å; F35-W118 HydrophobicContact CE2-CE3 4.29Å; F35-W118 AromaticContact CE2-CH2 3.57Å; F35-W118 HydrophobicContact CE2-CH2 3.57Å; F35-W118 AromaticContact CE2-CZ2 3.57Å; F35-W118 HydrophobicContact CE2-CZ2 3.57Å; F35-W118 AromaticContact CE2-CZ3 3.96Å; F35-W118 HydrophobicContact CE2-CZ3 3.96Å; F35-W118 HydrophobicContact CG-CZ2 4.46Å; F35-W118 AromaticContact CZ-CD2 3.21Å; F35-W118 HydrophobicContact CZ-CD2 3.21Å; F35-W118 AromaticContact CZ-CE2 3.2Å; F35-W118 AromaticContact CZ-CE3 3.27Å; F35-W118 HydrophobicContact CZ-CE3 3.27Å; F35-W118 AromaticContact CZ-CG 3.93Å; F35-W118 HydrophobicContact CZ-CG 3.93Å; F35-W118 AromaticContact CZ-CH2 3.35Å; F35-W118 HydrophobicContact CZ-CH2 3.35Å; F35-W118 AromaticContact CZ-CZ2 3.28Å; F35-W118 HydrophobicContact CZ-CZ2 3.28Å; F35-W118 AromaticContact CZ-CZ3 3.35Å; F35-W118 HydrophobicContact CZ-CZ3 3.35Å; F35-W118 AromaticContact CZ-NE1 3.89Å; F35-F132 AromaticContact CD2-CE2 3.97Å; F35-F132 HydrophobicContact CD2-CE2 3.97Å; F35-F132 HydrophobicContact CE2-CE2 4.31Å; F35-F132 HydrophobicContact CG-CD2 4.41Å; F35-F132 HydrophobicContact CG-CE2 4.26Å
36	G	83.6	Confident	86.8	Confident	36 Å²	36	70.6 Å²	70.6	37%	0.371	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	13.5	-175.4	0	0	0	0	0	114	Y32 R33 D34 L38	Y32-G36 PolarHBondContact O-N 3.15Å; R33-G36 WeakPolarHBondContact O-CA 3.42Å; R33-G36 PolarHBondContact O-N 2.85Å; D34-G36 VanDerWaalsContact C-N 3.29Å; G36-L38 PolarHBondContact O-N 3.18Å
37	I	86.8	Confident	87.8	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.046	35%	0.349	C	S	.	.			trans	-83.4	102.8	173	-57.4	175.9	0	0	0	107.9	Y32 F35 Y45 M47 F132	Y32-I37 CarbonylContact C-O 3.56Å; Y32-I37 WeakPolarHBondContact O-CA 3.34Å; Y32-I37 VanDerWaalsContact O-CB 3.32Å; Y32-I37 WeakPolarHBondContact O-CB 3.43Å; Y32-I37 PolarHBondContact O-N 3.16Å; F35-I37 VanDerWaalsContact C-N 3.26Å; F35-I37 HydrophobicContact CB-CD1 4.42Å; F35-I37 HydrophobicContact CB-CG1 4.29Å; F35-I37 PolarHBondContact O-N 3.35Å; I37-Y45 HydrophobicContact CB-CE2 4.46Å; I37-Y45 HydrophobicContact CD1-CD1 4.32Å; I37-Y45 HydrophobicContact CD1-CD2 4.36Å; I37-Y45 HydrophobicContact CD1-CE1 4.46Å; I37-Y45 HydrophobicContact CD1-CG 4.26Å; I37-Y45 HydrophobicContact CG1-CD2 4.33Å; I37-Y45 HydrophobicContact CG1-CE1 4.44Å; I37-Y45 HydrophobicContact CG1-CE2 4.05Å; I37-Y45 HydrophobicContact CG2-CD2 3.84Å; I37-Y45 HydrophobicContact CG2-CE2 3.93Å; I37-M47 HydrophobicContact CD1-SD 4.42Å; I37-M47 HydrophobicContact CG2-CE 3.89Å; I37-F132 HydrophobicContact CD1-CB 3.88Å; I37-F132 HydrophobicContact CD1-CD2 3.54Å; I37-F132 HydrophobicContact CD1-CE2 4.39Å; I37-F132 HydrophobicContact CD1-CG 3.93Å
38	L	84.9	Confident	88.3	Confident	88 Å²	88	65.3 Å²	65.3	46%	0.461	34%	0.336	S	S	.	.			trans	-74.7	149.1	175.3	-60.7	177.2	0	0	0	110.8	G36 D40 Q41 A42	G36-L38 PolarHBondContact O-N 3.18Å; L38-D40 WeakPolarHBondContact CB-OD1 3.49Å; L38-D40 PolarHBondContact O-N 2.99Å; L38-D40 VanDerWaalsContact O-N 3.17Å; L38-Q41 HydrophobicContact CB-CG 4.33Å; L38-Q41 WeakPolarHBondContact O-CA 3.3Å; L38-Q41 PolarHBondContact O-N 3.17Å; L38-A42 PolarHBondContact O-N 3.39Å
39	P	82.3	Confident	88.8	Confident	124 Å²	124	63.9 Å²	63.9	81%	0.805	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.9	-32.1	-178.1	-26.4	34.5	0	0	0	114.6	Q41	P39-Q41 VanDerWaalsContact C-N 3.26Å; P39-Q41 PolarHBondContact O-N 2.8Å
40	D	87.2	Confident	89.3	Confident	115 Å²	115	56 Å²	56	62%	0.615	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.4	176.2	65.6	-40.2	0	0	0	113.2	L38	L38-D40 WeakPolarHBondContact CB-OD1 3.49Å; L38-D40 PolarHBondContact O-N 2.99Å; L38-D40 VanDerWaalsContact O-N 3.17Å
41	Q	86.1	Confident	89.8	Confident	52 Å²	52	55.5 Å²	55.5	24%	0.243	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101	-3.6	-179.7	-59.3	-168.9	-15	0	0	113.6	L38 P39 N43 K44 Y45	L38-Q41 HydrophobicContact CB-CG 4.33Å; L38-Q41 WeakPolarHBondContact O-CA 3.3Å; L38-Q41 PolarHBondContact O-N 3.17Å; P39-Q41 VanDerWaalsContact C-N 3.26Å; P39-Q41 PolarHBondContact O-N 2.8Å; Q41-N43 PolarHBondContact O-N 2.85Å; Q41-K44 HydrophobicContact CB-CD 4.36Å; Q41-K44 WeakPolarHBondContact O-CB 3.32Å; Q41-K44 PolarHBondContact O-N 2.87Å; Q41-Y45 HydrophobicContact CB-CE2 4.28Å; Q41-Y45 VanDerWaalsContact O-CD2 3.3Å; Q41-Y45 WeakPolarHBondContact O-CD2 3.45Å
42	A	86.1	Confident	90.2	Very high	40 Å²	40	55.1 Å²	55.1	33%	0.331	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.1	-176.9	0	0	0	0	0	112.8	L38 K44 Y45 M47	L38-A42 PolarHBondContact O-N 3.39Å; A42-K44 PolarHBondContact O-N 3.47Å; A42-Y45 PolarHBondContact O-N 2.99Å; A42-M47 HydrophobicContact CB-CE 3.79Å; A42-M47 WeakPolarHBondContact O-CE 3.4Å
43	N	91.2	Very high	90.5	Very high	119 Å²	119	56.3 Å²	56.3	64%	0.636	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68.2	-11.1	176.8	67.6	-10.9	0	0	0	114.9	Q41 L135	Q41-N43 PolarHBondContact O-N 2.85Å; N43-L135 WeakPolarHBondContact O-CD1 3.37Å
44	K	92.8	Very high	90.9	Very high	104 Å²	104	50 Å²	50	45%	0.452	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-85.3	-15	175.3	-61.2	-178.8	-177.2	173.6	0	112.5	Q41 A42 E134 L135	Q41-K44 HydrophobicContact CB-CD 4.36Å; Q41-K44 WeakPolarHBondContact O-CB 3.32Å; Q41-K44 PolarHBondContact O-N 2.87Å; A42-K44 PolarHBondContact O-N 3.47Å; K44-E134 CarbonylContact O-C 3.56Å; K44-E134 WeakPolarHBondContact O-CA 3.26Å; K44-L135 PolarHBondContact O-N 3.37Å
45	Y	94.4	Very high	91.4	Very high	47 Å²	47	45 Å²	45	18%	0.184	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.5	-173	-61.4	-86.6	0	0	0	111.6	I37 Q41 A42 M47 F132 A133 E134	I37-Y45 HydrophobicContact CB-CE2 4.46Å; I37-Y45 HydrophobicContact CD1-CD1 4.32Å; I37-Y45 HydrophobicContact CD1-CD2 4.36Å; I37-Y45 HydrophobicContact CD1-CE1 4.46Å; I37-Y45 HydrophobicContact CD1-CG 4.26Å; I37-Y45 HydrophobicContact CG1-CD2 4.33Å; I37-Y45 HydrophobicContact CG1-CE1 4.44Å; I37-Y45 HydrophobicContact CG1-CE2 4.05Å; I37-Y45 HydrophobicContact CG2-CD2 3.84Å; I37-Y45 HydrophobicContact CG2-CE2 3.93Å; Q41-Y45 HydrophobicContact CB-CE2 4.28Å; Q41-Y45 VanDerWaalsContact O-CD2 3.3Å; Q41-Y45 WeakPolarHBondContact O-CD2 3.45Å; A42-Y45 PolarHBondContact O-N 2.99Å; Y45-M47 HydrophobicContact CD2-CE 4.33Å; Y45-M47 HydrophobicContact CG-CE 4.33Å; Y45-F132 HydrophobicContact CD1-CB 4.17Å; Y45-A133 CarbonylContact C-O 3.57Å; Y45-A133 WeakPolarHBondContact CA-O 3.41Å; Y45-E134 HydrophobicContact CD1-CG 3.62Å; Y45-E134 HydrophobicContact CE1-CG 3.45Å; Y45-E134 VanDerWaalsContact CE1-CG 3.45Å
46	R	95.2	Very high	91.8	Very high	58 Å²	58	47.6 Å²	47.6	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	94.3	169.6	-152.8	-176.4	85.5	-161.6	-1	107.8	N48 A49 E76 V86 A133 L135	R46-N48 VanDerWaalsContact CG-OD1 3.32Å; R46-N48 WeakPolarHBondContact CG-OD1 3.41Å; R46-N48 PolarHBondContact NE-OD1 2.86Å; R46-N48 PolarHBondContact O-N 3.41Å; R46-N48 VanDerWaalsContact O-N 3.15Å; R46-A49 HydrophobicContact CB-CB 4.34Å; R46-A49 VanDerWaalsContact NE-CB 3.34Å; R46-A49 PolarHBondContact O-N 3.29Å; R46-E76 IonicContact CZ-OE2 2.72Å; R46-E76 IonicContact NH1-OE1 3.85Å; R46-E76 PolarHBondContact NH1-OE1 3.48Å; R46-E76 IonicContact NH1-OE2 2.86Å; R46-E76 PolarHBondContact NH1-OE2 2.95Å; R46-E76 IonicContact NH2-OE1 3.3Å; R46-E76 IonicContact NH2-OE2 2.81Å; R46-E76 PolarHBondContact NH2-OE2 2.81Å; R46-V86 VanDerWaalsContact NH2-CB 3.35Å; R46-A133 PolarHBondContact N-O 3.07Å; R46-L135 HydrophobicContact CB-CD2 4.46Å
47	M	94.4	Very high	92.1	Very high	16 Å²	16	50.9 Å²	50.9	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-22	-168.9	-60.8	-50.3	177.6	0	0	114.2	Y32 I37 A42 Y45 A49 E90 A93 F132	Y32-M47 HydrophobicContact CE1-SD 4.23Å; Y32-M47 HydrophobicContact CE2-CG 4.46Å; Y32-M47 HydrophobicContact CE2-SD 4.47Å; I37-M47 HydrophobicContact CD1-SD 4.42Å; I37-M47 HydrophobicContact CG2-CE 3.89Å; A42-M47 HydrophobicContact CB-CE 3.79Å; A42-M47 WeakPolarHBondContact O-CE 3.4Å; Y45-M47 HydrophobicContact CD2-CE 4.33Å; Y45-M47 HydrophobicContact CG-CE 4.33Å; M47-A49 PolarHBondContact O-N 3.06Å; M47-E90 HydrophobicContact CB-CB 4.18Å; M47-E90 VanDerWaalsContact CB-CD 3.43Å; M47-E90 HydrophobicContact CB-CG 3.67Å; M47-A93 WeakPolarHBondContact O-CB 3.37Å; M47-F132 WeakPolarHBondContact O-CE1 3.29Å; M47-F132 HydrophobicContact SD-CD1 4.47Å
48	N	96.4	Very high	92.3	Very high	43 Å²	43	51 Å²	51	23%	0.23	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	13.8	172.7	79.5	-27.5	0	0	0	113.8	R46 F87 E90	R46-N48 VanDerWaalsContact CG-OD1 3.32Å; R46-N48 WeakPolarHBondContact CG-OD1 3.41Å; R46-N48 PolarHBondContact NE-OD1 2.86Å; R46-N48 PolarHBondContact O-N 3.41Å; R46-N48 VanDerWaalsContact O-N 3.15Å; N48-F87 PolarHBondContact ND2-O 2.87Å; N48-F87 PolarHBondContact O-N 3.07Å; N48-E90 HydrophobicContact CB-CG 4.45Å
49	A	97.8	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.9	-174.6	0	0	0	0	0	113.5	R46 M47 V85 A133	R46-A49 HydrophobicContact CB-CB 4.34Å; R46-A49 VanDerWaalsContact NE-CB 3.34Å; R46-A49 PolarHBondContact O-N 3.29Å; M47-A49 PolarHBondContact O-N 3.06Å; A49-V85 CarbonylContact C-O 3.54Å; A49-V85 VanDerWaalsContact CA-O 3.23Å; A49-V85 WeakPolarHBondContact CA-O 3.46Å; A49-A133 HydrophobicContact CB-CB 3.84Å; A49-A133 PolarHBondContact O-N 2.81Å
50	L	97.4	Very high	93.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	177.7	-57.1	178.4	0	0	0	109.4	N84 V85 F87 A93 C96 M97 I130 R131 F132	L50-N84 CarbonylContact O-C 3.48Å; L50-N84 VanDerWaalsContact O-CA 3.28Å; L50-N84 WeakPolarHBondContact O-CA 3.47Å; L50-V85 PolarHBondContact N-O 3.02Å; L50-V85 PolarHBondContact O-N 2.81Å; L50-F87 HydrophobicContact CB-CE2 4.28Å; L50-F87 HydrophobicContact CD1-CE2 3.72Å; L50-F87 HydrophobicContact CD1-CZ 4.12Å; L50-F87 HydrophobicContact CG-CD2 4.48Å; L50-F87 HydrophobicContact CG-CE2 3.78Å; L50-A93 WeakPolarHBondContact CD1-O 3.3Å; L50-A93 HydrophobicContact CD2-CB 4.4Å; L50-A93 HydrophobicContact CG-CB 4.35Å; L50-C96 HydrophobicContact CD1-CB 4.08Å; L50-M97 HydrophobicContact CD1-CB 3.96Å; L50-M97 HydrophobicContact CD2-CB 4.01Å; L50-M97 HydrophobicContact CD2-CE 4.27Å; L50-M97 HydrophobicContact CD2-CG 4.45Å; L50-I130 HydrophobicContact CB-CD1 4.23Å; L50-I130 HydrophobicContact CB-CG1 4.23Å; L50-I130 HydrophobicContact CD1-CD1 3.74Å; L50-I130 HydrophobicContact CD1-CG1 4.46Å; L50-I130 HydrophobicContact CG-CD1 4.49Å; L50-R131 CarbonylContact C-O 3.58Å; L50-R131 WeakPolarHBondContact CA-O 3.29Å; L50-F132 HydrophobicContact CD2-CD1 3.78Å; L50-F132 HydrophobicContact CD2-CE1 3.85Å; L50-F132 HydrophobicContact CD2-CG 4.25Å; L50-F132 HydrophobicContact CD2-CZ 4.35Å
51	H	97.6	Very high	93.3	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.5	170	-174.2	79.9	0	0	0	109.1	I78 N84 I130 R131 A133 D137	H51-I78 VanDerWaalsContact CE1-CD1 3.41Å; H51-I78 WeakPolarHBondContact CE1-CD1 3.24Å; H51-I78 WeakPolarHBondContact ND1-CD1 3.49Å; H51-N84 PolarHBondContact ND1-OD1 3.13Å; H51-I130 WeakPolarHBondContact O-CA 3.35Å; H51-R131 HydrophobicContact CB-CG 3.99Å; H51-R131 PolarHBondContact N-O 3.07Å; H51-R131 PolarHBondContact O-N 3.17Å; H51-A133 HydrophobicContact CB-CB 4.32Å; H51-D137 IonicContact CG-OD2 2.64Å; H51-D137 IonicContact ND1-OD2 3.84Å
52	L	97.1	Very high	93.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.6	172.5	-59.4	-177.1	0	0	0	109.6	V55 I63 L67 S82 C83 V85 L129 I130	L52-V55 HydrophobicContact CB-CG1 4Å; L52-I63 HydrophobicContact CD1-CG2 4.22Å; L52-L67 HydrophobicContact CD1-CD1 4.31Å; L52-S82 CarbonylContact O-C 3.6Å; L52-S82 WeakPolarHBondContact O-CA 3.41Å; L52-S82 VanDerWaalsContact O-CB 3.3Å; L52-S82 WeakPolarHBondContact O-CB 3.35Å; L52-C83 PolarHBondContact N-O 3.05Å; L52-C83 PolarHBondContact O-N 3.11Å; L52-V85 HydrophobicContact CD1-CG2 3.57Å; L52-V85 HydrophobicContact CG-CG2 4.06Å; L52-L129 WeakPolarHBondContact CA-O 3.49Å; L52-I130 HydrophobicContact CD2-CB 3.94Å; L52-I130 HydrophobicContact CD2-CD1 3.57Å; L52-I130 HydrophobicContact CD2-CG1 3.63Å
53	N	95.9	Very high	94.2	Very high	51 Å²	51	40.6 Å²	40.6	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.5	173.5	-178.1	-28.6	0	0	0	109.2	N81 L128 L129	N53-N81 PolarHBondContact OD1-ND2 2.87Å; N53-L128 CarbonylContact O-C 3.57Å; N53-L128 WeakPolarHBondContact O-CA 3.38Å; N53-L129 HydrophobicContact CB-CB 4.23Å; N53-L129 PolarHBondContact N-O 2.9Å; N53-L129 PolarHBondContact O-N 3.03Å
54	G	94.7	Very high	94.4	Very high	21 Å²	21	39.5 Å²	39.5	22%	0.216	22%	0.215	C	C	.	.			trans	104.2	17.3	-171.8	0	0	0	0	0	113.6	S56 N81 L128	G54-S56 VanDerWaalsContact C-N 3.34Å; G54-S56 PolarHBondContact O-N 2.86Å; G54-N81 PolarHBondContact N-O 3.35Å; G54-L128 WeakPolarHBondContact O-CD2 3.3Å
55	V	94.9	Very high	94.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.225	C	C	.	.			trans	-93.5	21.6	-175.9	-63.6	0	0	0	0	113.5	L52 E57 M58 I63 W77 N81 L128	L52-V55 HydrophobicContact CB-CG1 4Å; V55-E57 VanDerWaalsContact C-N 3.25Å; V55-E57 PolarHBondContact O-N 2.89Å; V55-M58 HydrophobicContact CB-CB 4.27Å; V55-M58 HydrophobicContact CB-SD 4.37Å; V55-M58 HydrophobicContact CG1-SD 4.04Å; V55-M58 PolarHBondContact O-N 2.9Å; V55-M58 VanDerWaalsContact O-N 3.12Å; V55-I63 HydrophobicContact CB-CD1 4.29Å; V55-I63 HydrophobicContact CG1-CD1 4.16Å; V55-W77 HydrophobicContact CB-CH2 4.22Å; V55-W77 HydrophobicContact CB-CZ3 4.33Å; V55-W77 HydrophobicContact CG2-CH2 3.91Å; V55-W77 HydrophobicContact CG2-CZ3 3.53Å; V55-N81 VanDerWaalsContact CG2-C 3.44Å; V55-N81 WeakPolarHBondContact CG2-O 3.12Å; V55-N81 PolarHBondContact N-O 2.91Å; V55-L128 HydrophobicContact CG1-CD2 3.87Å
56	S	92	Very high	94.7	Very high	64 Å²	64	39.2 Å²	39.2	45%	0.448	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.1	-173.4	64.9	0	0	0	0	114.8	G54 D80	G54-S56 VanDerWaalsContact C-N 3.34Å; G54-S56 PolarHBondContact O-N 2.86Å; S56-D80 WeakPolarHBondContact CA-O 3.3Å
57	E	90	Very high	94.7	Very high	105 Å²	105	36.5 Å²	36.5	49%	0.491	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	12.5	-178.9	-54.2	-52.5	133.8	0	0	112.5	V55 Y126	V55-E57 VanDerWaalsContact C-N 3.25Å; V55-E57 PolarHBondContact O-N 2.89Å; E57-Y126 HydrophobicContact CB-CE1 4.09Å; E57-Y126 HydrophobicContact CG-CE1 4.36Å
58	M	90.9	Very high	94.8	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.064	23%	0.234	C	C	.	.			trans	-111.2	137.7	-177.1	-62.6	-178	70.4	0	0	111.4	V55 D62 I63 W77 H122 Y126 L128	V55-M58 HydrophobicContact CB-CB 4.27Å; V55-M58 HydrophobicContact CB-SD 4.37Å; V55-M58 HydrophobicContact CG1-SD 4.04Å; V55-M58 PolarHBondContact O-N 2.9Å; V55-M58 VanDerWaalsContact O-N 3.12Å; M58-D62 HydrophobicContact CB-CB 4.18Å; M58-D62 HydrophobicContact CE-CB 4.06Å; M58-I63 HydrophobicContact CB-CG1 4.17Å; M58-I63 HydrophobicContact CE-CG1 3.71Å; M58-I63 HydrophobicContact SD-CG1 4.45Å; M58-W77 WeakPolarHBondContact O-CH2 3.37Å; M58-H122 WeakPolarHBondContact CE-CD2 3.39Å; M58-H122 WeakPolarHBondContact CE-NE2 3.48Å; M58-Y126 HydrophobicContact CG-CD2 4.42Å; M58-L128 HydrophobicContact SD-CD1 4.39Å; M58-L128 HydrophobicContact SD-CD2 4.1Å
59	S	90.3	Very high	94.8	Very high	51 Å²	51	45.3 Å²	45.3	36%	0.357	26%	0.261	S	S	.	.			trans	-87.8	169.6	168.2	70.9	0	0	0	0	111.5	A61 D62 I63	S59-A61 PolarHBondContact O-N 2.9Å; S59-A61 PolarHBondContact OG-N 3.46Å; S59-D62 VanDerWaalsContact CB-OD2 3.3Å; S59-D62 WeakPolarHBondContact CB-OD2 3.35Å; S59-D62 PolarHBondContact N-OD2 3.31Å; S59-D62 PolarHBondContact O-N 3.25Å; S59-D62 VanDerWaalsContact O-N 3.16Å; S59-D62 VanDerWaalsContact OG-CG 3.25Å; S59-D62 PolarHBondContact OG-N 3.17Å; S59-D62 PolarHBondContact OG-OD2 2.88Å; S59-I63 PolarHBondContact O-N 3.07Å
60	T	92.4	Very high	94.7	Very high	58 Å²	58	47 Å²	47	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-52.9	-42.6	170.2	-54.6	0	0	0	0	111.3	D62 I63 E64 I75 W77	T60-D62 PolarHBondContact O-N 2.75Å; T60-I63 PolarHBondContact O-N 2.85Å; T60-E64 HydrophobicContact CG2-CG 4.46Å; T60-E64 WeakPolarHBondContact O-CB 3.3Å; T60-E64 WeakPolarHBondContact O-CG 3.36Å; T60-E64 PolarHBondContact O-N 3.34Å; T60-I75 HydrophobicContact CG2-CB 4.46Å; T60-I75 HydrophobicContact CG2-CD1 3.76Å; T60-W77 PolarHBondContact OG1-NE1 2.89Å
61	A	92.4	Very high	94.7	Very high	52 Å²	52	51.3 Å²	51.3	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-35.3	-179.8	0	0	0	0	0	112.7	S59 T65	S59-A61 PolarHBondContact O-N 2.9Å; S59-A61 PolarHBondContact OG-N 3.46Å; A61-T65 VanDerWaalsContact O-CB 3.29Å; A61-T65 WeakPolarHBondContact O-CB 3.26Å; A61-T65 PolarHBondContact O-N 2.72Å; A61-T65 PolarHBondContact O-OG1 2.93Å
62	D	94.4	Very high	94.6	Very high	39 Å²	39	52.3 Å²	52.3	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-42.9	176.4	-61.6	-56.6	0	0	0	110.6	M58 S59 T60 T65 F66	M58-D62 HydrophobicContact CB-CB 4.18Å; M58-D62 HydrophobicContact CE-CB 4.06Å; S59-D62 VanDerWaalsContact CB-OD2 3.3Å; S59-D62 WeakPolarHBondContact CB-OD2 3.35Å; S59-D62 PolarHBondContact N-OD2 3.31Å; S59-D62 PolarHBondContact O-N 3.25Å; S59-D62 VanDerWaalsContact O-N 3.16Å; S59-D62 VanDerWaalsContact OG-CG 3.25Å; S59-D62 PolarHBondContact OG-N 3.17Å; S59-D62 PolarHBondContact OG-OD2 2.88Å; T60-D62 PolarHBondContact O-N 2.75Å; D62-T65 PolarHBondContact O-N 2.64Å; D62-F66 WeakPolarHBondContact O-CB 3.3Å; D62-F66 PolarHBondContact O-N 3.48Å
63	I	95.6	Very high	94.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.9	-43.4	177.8	-59.9	170.6	0	0	0	111.2	L52 V55 M58 S59 T60 T65 F66 L67 I75 W77 V85	L52-I63 HydrophobicContact CD1-CG2 4.22Å; V55-I63 HydrophobicContact CB-CD1 4.29Å; V55-I63 HydrophobicContact CG1-CD1 4.16Å; M58-I63 HydrophobicContact CB-CG1 4.17Å; M58-I63 HydrophobicContact CE-CG1 3.71Å; M58-I63 HydrophobicContact SD-CG1 4.45Å; S59-I63 PolarHBondContact O-N 3.07Å; T60-I63 PolarHBondContact O-N 2.85Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 2.88Å; I63-F66 PolarHBondContact O-N 3.07Å; I63-L67 HydrophobicContact CG2-CD1 4.16Å; I63-L67 PolarHBondContact O-N 3.02Å; I63-I75 HydrophobicContact CB-CD1 3.7Å; I63-I75 HydrophobicContact CG2-CD1 3.61Å; I63-I75 HydrophobicContact CG2-CG1 4.29Å; I63-W77 HydrophobicContact CD1-CH2 3.78Å; I63-W77 HydrophobicContact CD1-CZ2 3.66Å; I63-V85 HydrophobicContact CG2-CG2 3.92Å
64	E	96	Very high	94.7	Very high	95 Å²	95	60.3 Å²	60.3	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-41.5	175.8	-76.3	171.7	174.6	0	0	111.4	T60 L67 A68 I75	T60-E64 HydrophobicContact CG2-CG 4.46Å; T60-E64 WeakPolarHBondContact O-CB 3.3Å; T60-E64 WeakPolarHBondContact O-CG 3.36Å; T60-E64 PolarHBondContact O-N 3.34Å; E64-L67 CarbonylContact O-C 3.51Å; E64-L67 PolarHBondContact O-N 2.84Å; E64-A68 VanDerWaalsContact O-CA 3.26Å; E64-A68 WeakPolarHBondContact O-CA 3.24Å; E64-A68 WeakPolarHBondContact O-CB 2.93Å; E64-A68 PolarHBondContact O-N 2.67Å; E64-I75 HydrophobicContact CG-CD1 3.75Å
65	T	96.5	Very high	94.8	Very high	110 Å²	110	60.6 Å²	60.6	68%	0.675	33%	0.332	S	S	*	.	H	α-helix	trans	-66.3	-45.1	176.4	-57.7	0	0	0	0	111.2	A61 D62 I63 L67 A68	A61-T65 VanDerWaalsContact O-CB 3.29Å; A61-T65 WeakPolarHBondContact O-CB 3.26Å; A61-T65 PolarHBondContact O-N 2.72Å; A61-T65 PolarHBondContact O-OG1 2.93Å; D62-T65 PolarHBondContact O-N 2.64Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 2.88Å; T65-L67 VanDerWaalsContact C-N 3.26Å; T65-L67 PolarHBondContact O-N 2.77Å; T65-A68 WeakPolarHBondContact O-CB 3.5Å; T65-A68 PolarHBondContact O-N 3.19Å
66	F	96.2	Very high	94.8	Very high	35 Å²	35	63.2 Å²	63.2	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-58	-39.6	178	175	-129.2	0	0	0	112.4	D62 I63 I100 H122 P123 L128	D62-F66 WeakPolarHBondContact O-CB 3.3Å; D62-F66 PolarHBondContact O-N 3.48Å; I63-F66 PolarHBondContact O-N 3.07Å; F66-I100 HydrophobicContact CE1-CD1 4.1Å; F66-I100 HydrophobicContact CZ-CB 4.45Å; F66-I100 HydrophobicContact CZ-CD1 4.28Å; F66-H122 AromaticContact CD2-CD2 3.61Å; F66-H122 AromaticContact CG-CD2 3.47Å; F66-H122 VanDerWaalsContact CG-CD2 3.47Å; F66-H122 WeakPolarHBondContact CG-CD2 3.39Å; F66-P123 HydrophobicContact CD2-CG 4.34Å; F66-L128 HydrophobicContact CD1-CD1 4.32Å; F66-L128 HydrophobicContact CE1-CD1 3.79Å; F66-L128 HydrophobicContact CZ-CD1 4.43Å
67	L	96.9	Very high	95	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.3	-175.5	-58.4	-178.9	0	0	0	113.6	L52 I63 E64 T65 K69 F70 P72 V85 I100	L52-L67 HydrophobicContact CD1-CD1 4.31Å; I63-L67 HydrophobicContact CG2-CD1 4.16Å; I63-L67 PolarHBondContact O-N 3.02Å; E64-L67 CarbonylContact O-C 3.51Å; E64-L67 PolarHBondContact O-N 2.84Å; T65-L67 VanDerWaalsContact C-N 3.26Å; T65-L67 PolarHBondContact O-N 2.77Å; L67-K69 PolarHBondContact O-N 3.18Å; L67-F70 HydrophobicContact CD2-CD2 4.32Å; L67-F70 PolarHBondContact O-N 3.14Å; L67-P72 HydrophobicContact CB-CG 4.26Å; L67-P72 WeakPolarHBondContact O-CD 3.33Å; L67-V85 HydrophobicContact CD1-CB 4.2Å; L67-V85 HydrophobicContact CD1-CG1 3.78Å; L67-V85 HydrophobicContact CD1-CG2 3.83Å; L67-I100 HydrophobicContact CD2-CD1 3.55Å
68	A	96.3	Very high	95.2	Very high	60 Å²	60	59.1 Å²	59.1	50%	0.496	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-53	-36.8	-172.2	0	0	0	0	0	113.2	E64 T65 F70 S71	E64-A68 VanDerWaalsContact O-CA 3.26Å; E64-A68 WeakPolarHBondContact O-CA 3.24Å; E64-A68 WeakPolarHBondContact O-CB 2.93Å; E64-A68 PolarHBondContact O-N 2.67Å; T65-A68 WeakPolarHBondContact O-CB 3.5Å; T65-A68 PolarHBondContact O-N 3.19Å; A68-F70 PolarHBondContact O-N 3.12Å; A68-F70 VanDerWaalsContact O-N 3.17Å; A68-S71 PolarHBondContact O-N 3.22Å; A68-S71 VanDerWaalsContact O-N 3.17Å
69	K	95.9	Very high	95.3	Very high	183 Å²	183	62.1 Å²	62.1	80%	0.796	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-57.8	-28.1	177.5	-177.5	178.1	177.2	-176.3	0	113.5	L67	L67-K69 PolarHBondContact O-N 3.18Å
70	F	96.3	Very high	95.4	Very high	35 Å²	35	62 Å²	62	15%	0.154	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-101	3.4	-175.5	-51.7	-73.8	0	0	0	113	L67 A68 F87 C96 A99 I100	L67-F70 HydrophobicContact CD2-CD2 4.32Å; L67-F70 PolarHBondContact O-N 3.14Å; A68-F70 PolarHBondContact O-N 3.12Å; A68-F70 VanDerWaalsContact O-N 3.17Å; F70-F87 HydrophobicContact CB-CD1 4.46Å; F70-F87 HydrophobicContact CB-CE1 3.79Å; F70-C96 HydrophobicContact CB-CB 3.98Å; F70-C96 HydrophobicContact CD1-CB 3.8Å; F70-C96 HydrophobicContact CD2-CB 4Å; F70-C96 WeakPolarHBondContact CD2-SG 3.38Å; F70-C96 HydrophobicContact CE1-CB 4.31Å; F70-C96 HydrophobicContact CE2-CB 4.48Å; F70-C96 HydrophobicContact CG-CB 3.63Å; F70-A99 HydrophobicContact CE1-CB 3.68Å; F70-A99 HydrophobicContact CZ-CB 3.38Å; F70-I100 HydrophobicContact CE2-CG2 3.71Å; F70-I100 HydrophobicContact CZ-CG2 4.08Å
71	S	95.7	Very high	95.5	Very high	93 Å²	93	62.4 Å²	62.4	65%	0.65	33%	0.327	S	S	*	.			trans	49.2	63.9	179	-60.2	0	0	0	0	113	A68 F73	A68-S71 PolarHBondContact O-N 3.22Å; A68-S71 VanDerWaalsContact O-N 3.17Å; S71-F73 PolarHBondContact O-N 3.47Å
72	P	97.3	Very high	95.6	Very high	30 Å²	30	60.1 Å²	60.1	20%	0.195	31%	0.308	C	S	.	.			trans	-57.7	131.1	178.4	26.6	-35.2	0	0	0	110.1	L67 V85 F87	L67-P72 HydrophobicContact CB-CG 4.26Å; L67-P72 WeakPolarHBondContact O-CD 3.33Å; P72-V85 HydrophobicContact CB-CG1 3.61Å; P72-F87 HydrophobicContact CB-CE1 4.48Å
73	F	96.8	Very high	95.8	Very high	115 Å²	115	58.3 Å²	58.3	50%	0.504	30%	0.299	S	S	.	.			trans	-72.4	-45.6	-177.9	-178.5	-96.6	0	0	0	112	S71 V86 E88	S71-F73 PolarHBondContact O-N 3.47Å; F73-V86 WeakPolarHBondContact CA-O 3.3Å; F73-V86 WeakPolarHBondContact CB-O 3.27Å; F73-V86 PolarHBondContact N-O 3.22Å; F73-E88 WeakPolarHBondContact CD2-OE2 3.33Å; F73-E88 WeakPolarHBondContact CE2-OE2 3.5Å
74	R	96.6	Very high	95.9	Very high	105 Å²	105	58.5 Å²	58.5	40%	0.396	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	164.6	173.8	70.9	-170.3	-179.3	-95.3	-0.7	111.5	E76 V86	R74-E76 HydrophobicContact CG-CG 4.42Å; R74-E76 IonicContact CZ-OE1 3.84Å; R74-E76 IonicContact NE-OE1 3.45Å; R74-E76 PolarHBondContact NE-OE1 2.89Å; R74-E76 IonicContact NH2-OE1 3.51Å; R74-E76 PolarHBondContact NH2-OE1 3.36Å; R74-V86 HydrophobicContact CG-CB 3.81Å; R74-V86 HydrophobicContact CG-CG2 3.46Å; R74-V86 VanDerWaalsContact CG-CG2 3.46Å; R74-V86 PolarHBondContact N-O 3.16Å; R74-V86 WeakPolarHBondContact O-CG2 3.23Å; R74-V86 PolarHBondContact O-N 3.2Å
75	I	96.7	Very high	96	Very high	27 Å²	27	54 Å²	54	14%	0.138	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.6	174.2	-62.3	167	0	0	0	110.3	T60 I63 E64 C83	T60-I75 HydrophobicContact CG2-CB 4.46Å; T60-I75 HydrophobicContact CG2-CD1 3.76Å; I63-I75 HydrophobicContact CB-CD1 3.7Å; I63-I75 HydrophobicContact CG2-CD1 3.61Å; I63-I75 HydrophobicContact CG2-CG1 4.29Å; E64-I75 HydrophobicContact CG-CD1 3.75Å; I75-C83 HydrophobicContact CG2-CB 3.91Å
76	E	96.4	Very high	96.1	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	96.8	179.4	-65.6	174.2	170.3	0	0	110.3	R46 R74 I78 C83 N84 V86	R46-E76 IonicContact CZ-OE2 2.72Å; R46-E76 IonicContact NH1-OE1 3.85Å; R46-E76 PolarHBondContact NH1-OE1 3.48Å; R46-E76 IonicContact NH1-OE2 2.86Å; R46-E76 PolarHBondContact NH1-OE2 2.95Å; R46-E76 IonicContact NH2-OE1 3.3Å; R46-E76 IonicContact NH2-OE2 2.81Å; R46-E76 PolarHBondContact NH2-OE2 2.81Å; R74-E76 HydrophobicContact CG-CG 4.42Å; R74-E76 IonicContact CZ-OE1 3.84Å; R74-E76 IonicContact NE-OE1 3.45Å; R74-E76 PolarHBondContact NE-OE1 2.89Å; R74-E76 IonicContact NH2-OE1 3.51Å; R74-E76 PolarHBondContact NH2-OE1 3.36Å; E76-I78 PolarHBondContact O-N 3.38Å; E76-C83 CarbonylContact O-C 3.56Å; E76-C83 WeakPolarHBondContact O-CA 3.39Å; E76-N84 HydrophobicContact CB-CB 4.25Å; E76-N84 PolarHBondContact N-O 2.8Å; E76-N84 PolarHBondContact O-N 3.39Å; E76-V86 HydrophobicContact CG-CG2 3.94Å
77	W	94.8	Very high	96.2	Very high	61 Å²	61	47.1 Å²	47.1	23%	0.231	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.9	178.7	-74.1	100.1	0	0	0	113.1	V55 M58 T60 I63 C83 K139	V55-W77 HydrophobicContact CB-CH2 4.22Å; V55-W77 HydrophobicContact CB-CZ3 4.33Å; V55-W77 HydrophobicContact CG2-CH2 3.91Å; V55-W77 HydrophobicContact CG2-CZ3 3.53Å; M58-W77 WeakPolarHBondContact O-CH2 3.37Å; T60-W77 PolarHBondContact OG1-NE1 2.89Å; I63-W77 HydrophobicContact CD1-CH2 3.78Å; I63-W77 HydrophobicContact CD1-CZ2 3.66Å; W77-C83 HydrophobicContact CD2-CB 4Å; W77-C83 HydrophobicContact CE3-CB 3.82Å; W77-C83 HydrophobicContact CG-CB 4.45Å; W77-C83 HydrophobicContact CZ3-CB 4.24Å; W77-K139 WeakPolarHBondContact O-CD 3.45Å; W77-K139 PolarHBondContact O-NZ 3.32Å; W77-K139 VanDerWaalsContact O-NZ 3.15Å
78	I	94.4	Very high	96.2	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.108	27%	0.272	C	S	.	.			trans	-85.5	-52.3	178.3	-63.1	162.1	0	0	0	110.4	H51 E76 S82 N84 D137	H51-I78 VanDerWaalsContact CE1-CD1 3.41Å; H51-I78 WeakPolarHBondContact CE1-CD1 3.24Å; H51-I78 WeakPolarHBondContact ND1-CD1 3.49Å; E76-I78 PolarHBondContact O-N 3.38Å; I78-S82 PolarHBondContact N-O 3.06Å; I78-S82 VanDerWaalsContact N-O 3.16Å; I78-N84 WeakPolarHBondContact CD1-OD1 3.49Å; I78-D137 HydrophobicContact CD1-CB 3.76Å; I78-D137 WeakPolarHBondContact CD1-O 3.32Å
79	N	93	Very high	96.1	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	-147.6	-172.4	176	62.9	54.9	0	0	0	108.5	N81 S82	N79-N81 VanDerWaalsContact C-N 3.27Å; N79-N81 PolarHBondContact O-N 3.33Å; N79-N81 WeakPolarHBondContact OD1-CA 3.33Å; N79-N81 PolarHBondContact OD1-N 3.46Å; N79-S82 VanDerWaalsContact CG-OG 3.27Å; N79-S82 PolarHBondContact N-O 2.99Å; N79-S82 PolarHBondContact ND2-OG 2.97Å; N79-S82 PolarHBondContact OD1-N 3.33Å; N79-S82 PolarHBondContact OD1-OG 3Å
80	D	92.3	Very high	96.1	Very high	49 Å²	49	48.5 Å²	48.5	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-71.9	-21.4	-176.5	-53.7	-36.7	0	0	0	113.1	S56 S147 K148	S56-D80 WeakPolarHBondContact CA-O 3.3Å; D80-S147 WeakPolarHBondContact OD1-CA 3.39Å; D80-S147 VanDerWaalsContact OD1-CB 3.25Å; D80-S147 WeakPolarHBondContact OD1-CB 3.48Å; D80-S147 PolarHBondContact OD1-OG 3.3Å; D80-S147 VanDerWaalsContact OD2-CA 3.26Å; D80-S147 WeakPolarHBondContact OD2-CA 3.46Å; D80-K148 WeakPolarHBondContact OD2-CB 3.37Å; D80-K148 PolarHBondContact OD2-N 3.16Å
81	N	94.4	Very high	96	Very high	65 Å²	65	51 Å²	51	35%	0.348	26%	0.255	S	S	.	.	S	Bend	trans	-105.1	-7.6	-175.2	-172.8	54.5	0	0	0	113.7	N53 G54 V55 N79	N53-N81 PolarHBondContact OD1-ND2 2.87Å; G54-N81 PolarHBondContact N-O 3.35Å; V55-N81 VanDerWaalsContact CG2-C 3.44Å; V55-N81 WeakPolarHBondContact CG2-O 3.12Å; V55-N81 PolarHBondContact N-O 2.91Å; N79-N81 VanDerWaalsContact C-N 3.27Å; N79-N81 PolarHBondContact O-N 3.33Å; N79-N81 WeakPolarHBondContact OD1-CA 3.33Å; N79-N81 PolarHBondContact OD1-N 3.46Å
82	S	96	Very high	96	Very high	5 Å²	5	47.6 Å²	47.6	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.6	-177.8	68.9	0	0	0	0	113.7	L52 I78 N79	L52-S82 CarbonylContact O-C 3.6Å; L52-S82 WeakPolarHBondContact O-CA 3.41Å; L52-S82 VanDerWaalsContact O-CB 3.3Å; L52-S82 WeakPolarHBondContact O-CB 3.35Å; I78-S82 PolarHBondContact N-O 3.06Å; I78-S82 VanDerWaalsContact N-O 3.16Å; N79-S82 VanDerWaalsContact CG-OG 3.27Å; N79-S82 PolarHBondContact N-O 2.99Å; N79-S82 PolarHBondContact ND2-OG 2.97Å; N79-S82 PolarHBondContact OD1-N 3.33Å; N79-S82 PolarHBondContact OD1-OG 3Å
83	C	97.1	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158	175.4	64.8	0	0	0	0	111.2	L52 I75 E76 W77	L52-C83 PolarHBondContact N-O 3.05Å; L52-C83 PolarHBondContact O-N 3.11Å; I75-C83 HydrophobicContact CG2-CB 3.91Å; E76-C83 CarbonylContact O-C 3.56Å; E76-C83 WeakPolarHBondContact O-CA 3.39Å; W77-C83 HydrophobicContact CD2-CB 4Å; W77-C83 HydrophobicContact CE3-CB 3.82Å; W77-C83 HydrophobicContact CG-CB 4.45Å; W77-C83 HydrophobicContact CZ3-CB 4.24Å
84	N	98	Very high	95.9	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.5	165.3	-57.1	-24.5	0	0	0	109.8	L50 H51 E76 I78 A133 D137	L50-N84 CarbonylContact O-C 3.48Å; L50-N84 VanDerWaalsContact O-CA 3.28Å; L50-N84 WeakPolarHBondContact O-CA 3.47Å; H51-N84 PolarHBondContact ND1-OD1 3.13Å; E76-N84 HydrophobicContact CB-CB 4.25Å; E76-N84 PolarHBondContact N-O 2.8Å; E76-N84 PolarHBondContact O-N 3.39Å; I78-N84 WeakPolarHBondContact CD1-OD1 3.49Å; N84-A133 HydrophobicContact CB-CB 4.35Å; N84-D137 PolarHBondContact ND2-O 2.95Å
85	V	98.2	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.1	168.7	-174.9	0	0	0	0	107.7	A49 L50 L52 I63 L67 P72 F87	A49-V85 CarbonylContact C-O 3.54Å; A49-V85 VanDerWaalsContact CA-O 3.23Å; A49-V85 WeakPolarHBondContact CA-O 3.46Å; L50-V85 PolarHBondContact N-O 3.02Å; L50-V85 PolarHBondContact O-N 2.81Å; L52-V85 HydrophobicContact CD1-CG2 3.57Å; L52-V85 HydrophobicContact CG-CG2 4.06Å; I63-V85 HydrophobicContact CG2-CG2 3.92Å; L67-V85 HydrophobicContact CD1-CB 4.2Å; L67-V85 HydrophobicContact CD1-CG1 3.78Å; L67-V85 HydrophobicContact CD1-CG2 3.83Å; P72-V85 HydrophobicContact CB-CG1 3.61Å; V85-F87 HydrophobicContact CB-CE2 4.16Å; V85-F87 HydrophobicContact CB-CZ 4.39Å; V85-F87 HydrophobicContact CG1-CE1 4.38Å; V85-F87 HydrophobicContact CG1-CE2 3.84Å; V85-F87 HydrophobicContact CG1-CZ 3.71Å
86	V	98.2	Very high	95.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.2	-176.8	-166.6	0	0	0	0	109	R46 F73 R74 E76	R46-V86 VanDerWaalsContact NH2-CB 3.35Å; F73-V86 WeakPolarHBondContact CA-O 3.3Å; F73-V86 WeakPolarHBondContact CB-O 3.27Å; F73-V86 PolarHBondContact N-O 3.22Å; R74-V86 HydrophobicContact CG-CB 3.81Å; R74-V86 HydrophobicContact CG-CG2 3.46Å; R74-V86 VanDerWaalsContact CG-CG2 3.46Å; R74-V86 PolarHBondContact N-O 3.16Å; R74-V86 WeakPolarHBondContact O-CG2 3.23Å; R74-V86 PolarHBondContact O-N 3.2Å; E76-V86 HydrophobicContact CG-CG2 3.94Å
87	F	98.1	Very high	95.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.186	C	C	.	.			trans	-115.4	160.9	175.4	-60.2	-89.8	0	0	0	110.3	N48 L50 F70 P72 V85 S89 A92 A93 C96	N48-F87 PolarHBondContact ND2-O 2.87Å; N48-F87 PolarHBondContact O-N 3.07Å; L50-F87 HydrophobicContact CB-CE2 4.28Å; L50-F87 HydrophobicContact CD1-CE2 3.72Å; L50-F87 HydrophobicContact CD1-CZ 4.12Å; L50-F87 HydrophobicContact CG-CD2 4.48Å; L50-F87 HydrophobicContact CG-CE2 3.78Å; F70-F87 HydrophobicContact CB-CD1 4.46Å; F70-F87 HydrophobicContact CB-CE1 3.79Å; P72-F87 HydrophobicContact CB-CE1 4.48Å; V85-F87 HydrophobicContact CB-CE2 4.16Å; V85-F87 HydrophobicContact CB-CZ 4.39Å; V85-F87 HydrophobicContact CG1-CE1 4.38Å; V85-F87 HydrophobicContact CG1-CE2 3.84Å; V85-F87 HydrophobicContact CG1-CZ 3.71Å; F87-S89 VanDerWaalsContact C-N 3.28Å; F87-S89 PolarHBondContact O-N 2.92Å; F87-A92 HydrophobicContact CB-CB 3.97Å; F87-A92 HydrophobicContact CD1-CB 4.31Å; F87-A92 HydrophobicContact CG-CB 4.43Å; F87-A93 HydrophobicContact CB-CB 4.17Å; F87-A93 HydrophobicContact CD2-CB 3.51Å; F87-A93 HydrophobicContact CE2-CB 4.19Å; F87-A93 HydrophobicContact CG-CB 4.01Å; F87-C96 HydrophobicContact CE1-CB 3.91Å; F87-C96 HydrophobicContact CE2-CB 4.47Å; F87-C96 HydrophobicContact CZ-CB 3.74Å; F87-C96 VanDerWaalsContact CZ-SG 3.57Å
88	E	96.7	Very high	95.6	Very high	148 Å²	148	37.6 Å²	37.6	69%	0.692	19%	0.193	S	C	*	.	S	Bend	trans	-63.9	-36.3	177.6	-169.2	62.6	-152	0	0	111.5	F73	F73-E88 WeakPolarHBondContact CD2-OE2 3.33Å; F73-E88 WeakPolarHBondContact CE2-OE2 3.5Å
89	S	95.5	Very high	95.6	Very high	40 Å²	40	39.6 Å²	39.6	28%	0.28	21%	0.213	S	C	.	.	S	Bend	trans	-135.3	163.8	-178.4	91.6	0	0	0	0	112.8	F87 E91 A92 A93	F87-S89 VanDerWaalsContact C-N 3.28Å; F87-S89 PolarHBondContact O-N 2.92Å; S89-E91 VanDerWaalsContact C-N 3.31Å; S89-E91 WeakPolarHBondContact CB-OE2 3.47Å; S89-E91 PolarHBondContact OG-N 2.8Å; S89-E91 PolarHBondContact OG-OE2 2.93Å; S89-A92 PolarHBondContact O-N 3.27Å; S89-A92 PolarHBondContact OG-N 2.88Å; S89-A93 PolarHBondContact O-N 2.78Å
90	E	95.3	Very high	95.7	Very high	86 Å²	86	37.6 Å²	37.6	40%	0.402	20%	0.202	S	C	.	.	H	α-helix	trans	-66.2	-36.8	175.4	-56.9	-172.1	-178.4	0	0	111.3	Y32 M47 N48 A92 A93 A94	Y32-E90 PolarHBondContact OH-OE2 3.35Å; Y32-E90 VanDerWaalsContact OH-OE2 3.14Å; M47-E90 HydrophobicContact CB-CB 4.18Å; M47-E90 VanDerWaalsContact CB-CD 3.43Å; M47-E90 HydrophobicContact CB-CG 3.67Å; N48-E90 HydrophobicContact CB-CG 4.45Å; E90-A92 VanDerWaalsContact C-N 3.35Å; E90-A92 PolarHBondContact O-N 2.75Å; E90-A93 PolarHBondContact O-N 2.76Å; E90-A94 VanDerWaalsContact O-CB 3.27Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.4Å
91	E	94.4	Very high	95.7	Very high	87 Å²	87	35.8 Å²	35.8	41%	0.407	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-42.8	176.3	-58.5	72.1	-159.7	0	0	111.3	L28 S89 A94 Q95	L28-E91 HydrophobicContact CD1-CG 4.08Å; S89-E91 VanDerWaalsContact C-N 3.31Å; S89-E91 WeakPolarHBondContact CB-OE2 3.47Å; S89-E91 PolarHBondContact OG-N 2.8Å; S89-E91 PolarHBondContact OG-OE2 2.93Å; E91-A94 PolarHBondContact O-N 3.16Å; E91-Q95 WeakPolarHBondContact O-CB 3.44Å; E91-Q95 VanDerWaalsContact O-CG 3.23Å; E91-Q95 WeakPolarHBondContact O-CG 3.23Å; E91-Q95 PolarHBondContact O-N 2.79Å
92	A	95.9	Very high	95.5	Very high	22 Å²	22	35 Å²	35	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-42.3	178.4	0	0	0	0	0	111.7	F87 S89 E90 C96	F87-A92 HydrophobicContact CB-CB 3.97Å; F87-A92 HydrophobicContact CD1-CB 4.31Å; F87-A92 HydrophobicContact CG-CB 4.43Å; S89-A92 PolarHBondContact O-N 3.27Å; S89-A92 PolarHBondContact OG-N 2.88Å; E90-A92 VanDerWaalsContact C-N 3.35Å; E90-A92 PolarHBondContact O-N 2.75Å; A92-C96 VanDerWaalsContact O-CB 3.3Å; A92-C96 WeakPolarHBondContact O-CB 3.33Å; A92-C96 PolarHBondContact O-N 2.87Å
93	A	96.7	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-45.3	174.5	0	0	0	0	0	111.3	M47 L50 F87 S89 E90 C96 M97 F132	M47-A93 WeakPolarHBondContact O-CB 3.37Å; L50-A93 WeakPolarHBondContact CD1-O 3.3Å; L50-A93 HydrophobicContact CD2-CB 4.4Å; L50-A93 HydrophobicContact CG-CB 4.35Å; F87-A93 HydrophobicContact CB-CB 4.17Å; F87-A93 HydrophobicContact CD2-CB 3.51Å; F87-A93 HydrophobicContact CE2-CB 4.19Å; F87-A93 HydrophobicContact CG-CB 4.01Å; S89-A93 PolarHBondContact O-N 2.78Å; E90-A93 PolarHBondContact O-N 2.76Å; A93-C96 WeakPolarHBondContact O-CB 3.48Å; A93-C96 PolarHBondContact O-N 2.69Å; A93-M97 VanDerWaalsContact O-CB 3.26Å; A93-M97 WeakPolarHBondContact O-CB 3.08Å; A93-M97 PolarHBondContact O-N 2.9Å; A93-F132 HydrophobicContact CB-CE1 4.34Å
94	A	95	Very high	94	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-41.3	179.2	0	0	0	0	0	113.2	F26 L28 L31 E90 E91 M97 L98 F132	F26-A94 HydrophobicContact CE1-CB 3.53Å; F26-A94 HydrophobicContact CZ-CB 3.9Å; L28-A94 HydrophobicContact CD2-CB 3.59Å; L31-A94 HydrophobicContact CD2-CB 3.43Å; L31-A94 VanDerWaalsContact CD2-CB 3.43Å; E90-A94 VanDerWaalsContact O-CB 3.27Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.4Å; E91-A94 PolarHBondContact O-N 3.16Å; A94-M97 PolarHBondContact O-N 2.88Å; A94-L98 PolarHBondContact O-N 3.32Å; A94-F132 HydrophobicContact CB-CZ 4.35Å
95	Q	94.6	Very high	92.5	Very high	110 Å²	110	42.2 Å²	42.2	51%	0.514	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-43.5	173.8	-75.8	176.9	2.9	0	0	111.6	E91 L98 A99	E91-Q95 WeakPolarHBondContact O-CB 3.44Å; E91-Q95 VanDerWaalsContact O-CG 3.23Å; E91-Q95 WeakPolarHBondContact O-CG 3.23Å; E91-Q95 PolarHBondContact O-N 2.79Å; Q95-L98 PolarHBondContact O-N 2.81Å; Q95-A99 VanDerWaalsContact O-CB 3.24Å; Q95-A99 WeakPolarHBondContact O-CB 3.3Å; Q95-A99 PolarHBondContact O-N 3.32Å
96	C	96.5	Very high	90.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-51.2	174.7	-179.5	0	0	0	0	110.6	L50 F70 F87 A92 A93 L98 A99 I100	L50-C96 HydrophobicContact CD1-CB 4.08Å; F70-C96 HydrophobicContact CB-CB 3.98Å; F70-C96 HydrophobicContact CD1-CB 3.8Å; F70-C96 HydrophobicContact CD2-CB 4Å; F70-C96 WeakPolarHBondContact CD2-SG 3.38Å; F70-C96 HydrophobicContact CE1-CB 4.31Å; F70-C96 HydrophobicContact CE2-CB 4.48Å; F70-C96 HydrophobicContact CG-CB 3.63Å; F87-C96 HydrophobicContact CE1-CB 3.91Å; F87-C96 HydrophobicContact CE2-CB 4.47Å; F87-C96 HydrophobicContact CZ-CB 3.74Å; F87-C96 VanDerWaalsContact CZ-SG 3.57Å; A92-C96 VanDerWaalsContact O-CB 3.3Å; A92-C96 WeakPolarHBondContact O-CB 3.33Å; A92-C96 PolarHBondContact O-N 2.87Å; A93-C96 WeakPolarHBondContact O-CB 3.48Å; A93-C96 PolarHBondContact O-N 2.69Å; C96-L98 PolarHBondContact O-N 3.15Å; C96-A99 PolarHBondContact O-N 3.3Å; C96-A99 VanDerWaalsContact O-N 3.11Å; C96-I100 WeakPolarHBondContact O-CG1 3.41Å; C96-I100 PolarHBondContact O-N 3.47Å
97	M	94.2	Very high	88.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-55.4	-47.1	179.5	176.3	57.8	119.7	0	0	112.7	F35 L50 A93 A94 A99 G101 W118 I130 R131 F132	F35-M97 HydrophobicContact CD1-CE 3.82Å; F35-M97 HydrophobicContact CE1-CE 3.1Å; F35-M97 HydrophobicContact CE1-CG 3.86Å; F35-M97 HydrophobicContact CE1-SD 3.64Å; F35-M97 HydrophobicContact CE2-CE 4.41Å; F35-M97 HydrophobicContact CE2-CG 3.61Å; F35-M97 HydrophobicContact CE2-SD 4.48Å; F35-M97 HydrophobicContact CZ-CE 3.48Å; F35-M97 VanDerWaalsContact CZ-CE 3.48Å; F35-M97 HydrophobicContact CZ-CG 3.1Å; F35-M97 HydrophobicContact CZ-SD 3.46Å; F35-M97 WeakPolarHBondContact CZ-SD 3.41Å; L50-M97 HydrophobicContact CD1-CB 3.96Å; L50-M97 HydrophobicContact CD2-CB 4.01Å; L50-M97 HydrophobicContact CD2-CE 4.27Å; L50-M97 HydrophobicContact CD2-CG 4.45Å; A93-M97 VanDerWaalsContact O-CB 3.26Å; A93-M97 WeakPolarHBondContact O-CB 3.08Å; A93-M97 PolarHBondContact O-N 2.9Å; A94-M97 PolarHBondContact O-N 2.88Å; M97-A99 VanDerWaalsContact C-N 3.34Å; M97-A99 PolarHBondContact O-N 2.95Å; M97-G101 VanDerWaalsContact O-CA 3.3Å; M97-G101 WeakPolarHBondContact O-CA 3.32Å; M97-G101 PolarHBondContact O-N 3.17Å; M97-W118 HydrophobicContact SD-CE3 4.37Å; M97-I130 HydrophobicContact CE-CB 4.45Å; M97-I130 HydrophobicContact CE-CG1 3.87Å; M97-I130 HydrophobicContact CE-CG2 4.2Å; M97-I130 HydrophobicContact SD-CB 4.31Å; M97-I130 HydrophobicContact SD-CD1 3.85Å; M97-I130 HydrophobicContact SD-CG1 3.74Å; M97-I130 HydrophobicContact SD-CG2 3.7Å; M97-R131 VanDerWaalsContact CE-CA 3.42Å; M97-F132 HydrophobicContact CG-CE2 4.49Å
98	L	93.3	Very high	86.3	Confident	73 Å²	73	60.6 Å²	60.6	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-32.3	177.1	-80	176.2	0	0	0	114.3	F26 L31 A94 Q95 C96 W118	F26-L98 HydrophobicContact CD2-CD1 4.42Å; F26-L98 HydrophobicContact CE2-CD1 3.15Å; F26-L98 HydrophobicContact CZ-CD1 3.37Å; F26-L98 HydrophobicContact CZ-CG 4.47Å; L31-L98 HydrophobicContact CD1-CD1 3.82Å; L31-L98 HydrophobicContact CD1-CD2 3.37Å; L31-L98 HydrophobicContact CD1-CG 3.58Å; L31-L98 HydrophobicContact CD2-CD1 4.45Å; L31-L98 HydrophobicContact CD2-CG 4.42Å; A94-L98 PolarHBondContact O-N 3.32Å; Q95-L98 PolarHBondContact O-N 2.81Å; C96-L98 PolarHBondContact O-N 3.15Å; L98-W118 HydrophobicContact CD2-CH2 3.99Å; L98-W118 HydrophobicContact CD2-CZ3 4.06Å
99	A	94.4	Very high	84.1	Confident	64 Å²	64	58.9 Å²	58.9	53%	0.529	36%	0.357	S	S	.	.	H	α-helix	trans	-79.1	-30.1	-175.9	0	0	0	0	0	112.8	F70 Q95 C96 M97	F70-A99 HydrophobicContact CE1-CB 3.68Å; F70-A99 HydrophobicContact CZ-CB 3.38Å; Q95-A99 VanDerWaalsContact O-CB 3.24Å; Q95-A99 WeakPolarHBondContact O-CB 3.3Å; Q95-A99 PolarHBondContact O-N 3.32Å; C96-A99 PolarHBondContact O-N 3.3Å; C96-A99 VanDerWaalsContact O-N 3.11Å; M97-A99 VanDerWaalsContact C-N 3.34Å; M97-A99 PolarHBondContact O-N 2.95Å
100	I	94.5	Very high	82.1	Confident	34 Å²	34	61.1 Å²	61.1	17%	0.174	37%	0.369	C	S	.	.	H	α-helix	trans	-110.5	-24.6	-176.3	75	-176.3	0	0	0	113.7	F66 L67 F70 C96 A120 I130	F66-I100 HydrophobicContact CE1-CD1 4.1Å; F66-I100 HydrophobicContact CZ-CB 4.45Å; F66-I100 HydrophobicContact CZ-CD1 4.28Å; L67-I100 HydrophobicContact CD2-CD1 3.55Å; F70-I100 HydrophobicContact CE2-CG2 3.71Å; F70-I100 HydrophobicContact CZ-CG2 4.08Å; C96-I100 WeakPolarHBondContact O-CG1 3.41Å; C96-I100 PolarHBondContact O-N 3.47Å; I100-A120 HydrophobicContact CB-CB 4.36Å; I100-A120 HydrophobicContact CD1-CB 4.43Å; I100-A120 HydrophobicContact CG1-CB 4.06Å; I100-A120 WeakPolarHBondContact O-CA 3.36Å; I100-A120 VanDerWaalsContact O-CB 3.3Å; I100-A120 WeakPolarHBondContact O-CB 3.23Å; I100-I130 HydrophobicContact CD1-CD1 3.67Å; I100-I130 HydrophobicContact CG1-CD1 4.02Å
101	G	92.8	Very high	79.8	Confident	12 Å²	12	60.4 Å²	60.4	12%	0.124	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.5	-176	0	0	0	0	0	111.9	M97 W118 V119	M97-G101 VanDerWaalsContact O-CA 3.3Å; M97-G101 WeakPolarHBondContact O-CA 3.32Å; M97-G101 PolarHBondContact O-N 3.17Å; G101-W118 VanDerWaalsContact C-CE3 3.48Å; G101-V119 CarbonylContact C-O 3.54Å; G101-V119 WeakPolarHBondContact CA-O 3.28Å
102	A	89.6	Confident	77.5	Confident	47 Å²	47	60.7 Å²	60.7	39%	0.388	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.6	166.6	0	0	0	0	0	109.2	A104 W118 V119	A102-A104 PolarHBondContact O-N 3.44Å; A102-W118 CarbonylContact O-C 3.59Å; A102-W118 WeakPolarHBondContact O-CA 3.3Å; A102-W118 VanDerWaalsContact O-CB 3.25Å; A102-W118 WeakPolarHBondContact O-CB 3.36Å; A102-V119 PolarHBondContact N-O 3.16Å; A102-V119 PolarHBondContact O-N 3.48Å
103	P	85.3	Confident	74.9	Confident	91 Å²	91	68.8 Å²	68.8	59%	0.591	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56	134.3	172.3	24.2	-32.9	0	0	0	109.3	G105	P103-G105 PolarHBondContact O-N 3.33Å
104	A	76.6	Confident	72.8	Confident	27 Å²	27	72.8 Å²	72.8	22%	0.223	46%	0.457	C	S	.	.			trans	-56.4	115	174.5	0	0	0	0	0	107.8	A102 N106 V119	A102-A104 PolarHBondContact O-N 3.44Å; A104-N106 PolarHBondContact O-N 2.71Å; A104-V119 HydrophobicContact CB-CG2 3.96Å
105	G	67	Low	71.4	Confident	43 Å²	43	76 Å²	76	44%	0.443	47%	0.472	S	S	.	.			trans	-56	144.5	178	0	0	0	0	0	109.2	P103 N107 D108	P103-G105 PolarHBondContact O-N 3.33Å; G105-N107 PolarHBondContact O-N 2.95Å; G105-D108 PolarHBondContact O-N 3.32Å
106	N	55.4	Low	70.2	Confident	169 Å²	169	74.4 Å²	74.4	90%	0.904	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-10.2	-174.9	-69.8	-19.5	0	0	0	115.7	A104	A104-N106 PolarHBondContact O-N 2.71Å
107	N	54.6	Low	69.6	Low	148 Å²	148	75.4 Å²	75.4	79%	0.791	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.1	-177.7	-59.5	-30	0	0	0	113.8	G105 S109	G105-N107 PolarHBondContact O-N 2.95Å; N107-S109 PolarHBondContact O-N 3.34Å
108	D	53.8	Low	69.5	Low	71 Å²	71	77 Å²	77	38%	0.38	48%	0.483	S	S	.	.			trans	-93	94.2	176.8	-69.8	-17.5	0	0	0	108.8	G105 V110	G105-D108 PolarHBondContact O-N 3.32Å; D108-V110 HydrophobicContact CB-CG2 4.42Å; D108-V110 PolarHBondContact O-N 2.91Å
109	S	51.5	Low	69.5	Low	112 Å²	112	73.9 Å²	73.9	78%	0.783	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	29.2	-178.8	-51.4	0	0	0	0	114.5	N107	N107-S109 PolarHBondContact O-N 3.34Å
110	V	53.8	Low	69.5	Low	88 Å²	88	70.9 Å²	70.9	53%	0.533	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-10.6	-171.7	-169	0	0	0	0	112.1	D108 S112 L129	D108-V110 HydrophobicContact CB-CG2 4.42Å; D108-V110 PolarHBondContact O-N 2.91Å; V110-S112 PolarHBondContact O-N 2.64Å; V110-L129 HydrophobicContact CG1-CD1 4.19Å
111	C	46.7	Very low	69.5	Low	71 Å²	71	76 Å²	76	48%	0.48	46%	0.46	S	S	.	.			trans	-81.1	64.3	173.1	-65.5	0	0	0	0	111.8
112	S	44.5	Very low	69.5	Low	93 Å²	93	76.1 Å²	76.1	65%	0.65	46%	0.457	S	S	*	.			trans	-81.9	121.8	166.9	-67.5	0	0	0	0	109.1	V110	V110-S112 PolarHBondContact O-N 2.64Å
113	F	42.9	Very low	69.7	Low	192 Å²	192	79 Å²	79	84%	0.842	47%	0.472	S	S	*	.	S	Bend	trans	76.9	70.6	177.9	-68.4	-92.7	0	0	0	117.5	E115	F113-E115 PolarHBondContact O-N 2.79Å
114	G	52.8	Low	70	Confident	84 Å²	84	80 Å²	80	87%	0.866	47%	0.472	S	S	*	.	S	Bend	trans	63.7	1.7	146.5	0	0	0	0	0	118.5
115	E	64.9	Low	70.7	Confident	67 Å²	67	81.8 Å²	81.8	31%	0.313	49%	0.493	S	S	.	.			trans	-105	107	178.7	-67.7	177.1	-170.6	0	0	108	F113 H117 R131 R136	F113-E115 PolarHBondContact O-N 2.79Å; E115-H117 WeakPolarHBondContact CB-CE1 3.41Å; E115-H117 PolarHBondContact O-N 3.4Å; E115-H117 PolarHBondContact O-ND1 3.22Å; E115-H117 IonicContact OE2-CE1 2.75Å; E115-H117 PolarHBondContact OE2-CE1 3.18Å; E115-H117 IonicContact OE2-NE2 3.46Å; E115-R131 IonicContact OE2-NE 3.95Å; E115-R136 IonicContact OE1-CZ 3.59Å; E115-R136 IonicContact OE1-NH1 3.78Å; E115-R136 IonicContact OE1-NH2 3.43Å; E115-R136 PolarHBondContact OE1-NH2 3.33Å
116	C	69	Low	71.9	Confident	76 Å²	76	83.9 Å²	83.9	51%	0.514	49%	0.489	S	S	.	.			trans	-66.2	101.2	175.5	-66.9	0	0	0	0	109.3	F35	F35-C116 WeakPolarHBondContact O-CB 3.47Å
117	H	85.3	Confident	73.7	Confident	22 Å²	22	80 Å²	80	10%	0.102	47%	0.465	C	S	.	.			trans	-102	137.8	172.7	-67	86.1	0	0	0	109.6	E115 L129 R131	E115-H117 WeakPolarHBondContact CB-CE1 3.41Å; E115-H117 PolarHBondContact O-N 3.4Å; E115-H117 PolarHBondContact O-ND1 3.22Å; E115-H117 IonicContact OE2-CE1 2.75Å; E115-H117 PolarHBondContact OE2-CE1 3.18Å; E115-H117 IonicContact OE2-NE2 3.46Å; H117-L129 HydrophobicContact CB-CB 4.18Å; H117-L129 HydrophobicContact CB-CD2 4.43Å; H117-R131 VanDerWaalsContact NE2-CD 3.3Å; H117-R131 WeakPolarHBondContact NE2-CD 3.47Å; H117-R131 PolarHBondContact NE2-NE 3.47Å
118	W	91.5	Very high	75.6	Confident	34 Å²	34	72.9 Å²	72.9	13%	0.129	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	163.8	162.1	-76.3	23.8	0	0	0	109.1	F35 M97 L98 G101 A102 L129 I130	F35-W118 AromaticContact CD1-CD1 3.89Å; F35-W118 HydrophobicContact CD1-CD2 4.18Å; F35-W118 AromaticContact CD1-CE2 3.79Å; F35-W118 HydrophobicContact CD1-CG 4.23Å; F35-W118 HydrophobicContact CD1-CZ2 4.25Å; F35-W118 AromaticContact CD1-NE1 3.61Å; F35-W118 HydrophobicContact CD2-CZ2 4.16Å; F35-W118 HydrophobicContact CE1-CB 4.13Å; F35-W118 AromaticContact CE1-CD1 3.43Å; F35-W118 VanDerWaalsContact CE1-CD1 3.43Å; F35-W118 AromaticContact CE1-CD2 3.13Å; F35-W118 HydrophobicContact CE1-CD2 3.13Å; F35-W118 AromaticContact CE1-CE2 3.12Å; F35-W118 AromaticContact CE1-CE3 3.71Å; F35-W118 HydrophobicContact CE1-CE3 3.71Å; F35-W118 AromaticContact CE1-CG 3.34Å; F35-W118 HydrophobicContact CE1-CG 3.34Å; F35-W118 HydrophobicContact CE1-CH2 4.18Å; F35-W118 AromaticContact CE1-CZ2 3.68Å; F35-W118 HydrophobicContact CE1-CZ2 3.68Å; F35-W118 HydrophobicContact CE1-CZ3 4.2Å; F35-W118 AromaticContact CE1-NE1 3.3Å; F35-W118 VanDerWaalsContact CE1-NE1 3.3Å; F35-W118 HydrophobicContact CE2-CD2 4.31Å; F35-W118 AromaticContact CE2-CE2 3.95Å; F35-W118 HydrophobicContact CE2-CE3 4.29Å; F35-W118 AromaticContact CE2-CH2 3.57Å; F35-W118 HydrophobicContact CE2-CH2 3.57Å; F35-W118 AromaticContact CE2-CZ2 3.57Å; F35-W118 HydrophobicContact CE2-CZ2 3.57Å; F35-W118 AromaticContact CE2-CZ3 3.96Å; F35-W118 HydrophobicContact CE2-CZ3 3.96Å; F35-W118 HydrophobicContact CG-CZ2 4.46Å; F35-W118 AromaticContact CZ-CD2 3.21Å; F35-W118 HydrophobicContact CZ-CD2 3.21Å; F35-W118 AromaticContact CZ-CE2 3.2Å; F35-W118 AromaticContact CZ-CE3 3.27Å; F35-W118 HydrophobicContact CZ-CE3 3.27Å; F35-W118 AromaticContact CZ-CG 3.93Å; F35-W118 HydrophobicContact CZ-CG 3.93Å; F35-W118 AromaticContact CZ-CH2 3.35Å; F35-W118 HydrophobicContact CZ-CH2 3.35Å; F35-W118 AromaticContact CZ-CZ2 3.28Å; F35-W118 HydrophobicContact CZ-CZ2 3.28Å; F35-W118 AromaticContact CZ-CZ3 3.35Å; F35-W118 HydrophobicContact CZ-CZ3 3.35Å; F35-W118 AromaticContact CZ-NE1 3.89Å; M97-W118 HydrophobicContact SD-CE3 4.37Å; L98-W118 HydrophobicContact CD2-CH2 3.99Å; L98-W118 HydrophobicContact CD2-CZ3 4.06Å; G101-W118 VanDerWaalsContact C-CE3 3.48Å; A102-W118 CarbonylContact O-C 3.59Å; A102-W118 WeakPolarHBondContact O-CA 3.3Å; A102-W118 VanDerWaalsContact O-CB 3.25Å; A102-W118 WeakPolarHBondContact O-CB 3.36Å; W118-L129 CarbonylContact O-C 3.57Å; W118-L129 WeakPolarHBondContact O-CA 3.36Å; W118-I130 HydrophobicContact CB-CG2 3.77Å; W118-I130 PolarHBondContact N-O 2.92Å; W118-I130 PolarHBondContact O-N 3.17Å
119	V	93	Very high	77.6	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.042	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134	177.1	-177.6	0	0	0	0	108.6	G101 A102 A104 Y121 Q127 L128 L129	G101-V119 CarbonylContact C-O 3.54Å; G101-V119 WeakPolarHBondContact CA-O 3.28Å; A102-V119 PolarHBondContact N-O 3.16Å; A102-V119 PolarHBondContact O-N 3.48Å; A104-V119 HydrophobicContact CB-CG2 3.96Å; V119-Y121 HydrophobicContact CG1-CD2 4.37Å; V119-Y121 HydrophobicContact CG1-CE1 4.31Å; V119-Y121 HydrophobicContact CG1-CE2 3.77Å; V119-Q127 HydrophobicContact CG1-CG 3.55Å; V119-L128 CarbonylContact C-O 3.59Å; V119-L128 WeakPolarHBondContact CA-O 3.39Å; V119-L129 HydrophobicContact CG2-CD2 4.17Å
120	A	94	Very high	79.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.7	168.7	0	0	0	0	0	109.3	I100 L128 I130	I100-A120 HydrophobicContact CB-CB 4.36Å; I100-A120 HydrophobicContact CD1-CB 4.43Å; I100-A120 HydrophobicContact CG1-CB 4.06Å; I100-A120 WeakPolarHBondContact O-CA 3.36Å; I100-A120 VanDerWaalsContact O-CB 3.3Å; I100-A120 WeakPolarHBondContact O-CB 3.23Å; A120-L128 HydrophobicContact CB-CB 4.34Å; A120-L128 PolarHBondContact N-O 2.91Å; A120-L128 PolarHBondContact O-N 2.73Å; A120-I130 HydrophobicContact CB-CG2 4.27Å
121	Y	94.4	Very high	81.6	Confident	142 Å²	142	62.3 Å²	62.3	56%	0.557	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	121	179.3	-67.7	-82.1	0	0	0	110.2	V119 Q127	V119-Y121 HydrophobicContact CG1-CD2 4.37Å; V119-Y121 HydrophobicContact CG1-CE1 4.31Å; V119-Y121 HydrophobicContact CG1-CE2 3.77Å; Y121-Q127 HydrophobicContact CD1-CB 4.5Å; Y121-Q127 HydrophobicContact CE1-CB 4.28Å; Y121-Q127 HydrophobicContact CE1-CG 4.12Å
122	H	93.6	Very high	83.9	Confident	15 Å²	15	59.1 Å²	59.1	7%	0.069	34%	0.335	C	S	.	.			trans	-74.3	143.3	171.7	-171.4	-92.1	0	0	0	109.9	M58 F66 N124 G125 Y126 L128	M58-H122 WeakPolarHBondContact CE-CD2 3.39Å; M58-H122 WeakPolarHBondContact CE-NE2 3.48Å; F66-H122 AromaticContact CD2-CD2 3.61Å; F66-H122 AromaticContact CG-CD2 3.47Å; F66-H122 VanDerWaalsContact CG-CD2 3.47Å; F66-H122 WeakPolarHBondContact CG-CD2 3.39Å; H122-N124 VanDerWaalsContact CE1-CG 3.43Å; H122-N124 PolarHBondContact CE1-ND2 3.44Å; H122-N124 VanDerWaalsContact ND1-CB 3.35Å; H122-N124 WeakPolarHBondContact ND1-CB 3.13Å; H122-N124 PolarHBondContact ND1-N 3.3Å; H122-N124 PolarHBondContact O-N 2.92Å; H122-G125 PolarHBondContact O-N 3.3Å; H122-Y126 HydrophobicContact CB-CD2 4.42Å; H122-Y126 PolarHBondContact N-O 2.87Å; H122-Y126 AromaticContact ND1-CD2 3.98Å; H122-L128 HydrophobicContact CB-CD1 4.47Å
123	P	93.1	Very high	86.3	Confident	108 Å²	108	54.7 Å²	54.7	70%	0.701	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.6	178	-29.8	35.7	0	0	0	115.1	F66 G125	F66-P123 HydrophobicContact CD2-CG 4.34Å; P123-G125 PolarHBondContact O-N 3.05Å
124	N	91.2	Very high	88.8	Confident	110 Å²	110	46.7 Å²	46.7	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	6.5	176	-59.3	-8.6	0	0	0	114.1	H122 Y126	H122-N124 VanDerWaalsContact CE1-CG 3.43Å; H122-N124 PolarHBondContact CE1-ND2 3.44Å; H122-N124 VanDerWaalsContact ND1-CB 3.35Å; H122-N124 WeakPolarHBondContact ND1-CB 3.13Å; H122-N124 PolarHBondContact ND1-N 3.3Å; H122-N124 PolarHBondContact O-N 2.92Å; N124-Y126 HydrophobicContact CB-CD2 3.92Å; N124-Y126 HydrophobicContact CB-CE2 3.76Å
125	G	91.8	Very high	90.8	Very high	65 Å²	65	47.8 Å²	47.8	67%	0.67	26%	0.255	S	S	*	.	S	Bend	trans	88	8	178.1	0	0	0	0	0	115.2	H122 P123	H122-G125 PolarHBondContact O-N 3.3Å; P123-G125 PolarHBondContact O-N 3.05Å
126	Y	92.4	Very high	92.3	Very high	88 Å²	88	51.6 Å²	51.6	35%	0.345	27%	0.267	S	S	.	.			trans	-80.4	132.5	175.3	-56.5	-64.2	0	0	0	111	E57 M58 H122 N124	E57-Y126 HydrophobicContact CB-CE1 4.09Å; E57-Y126 HydrophobicContact CG-CE1 4.36Å; M58-Y126 HydrophobicContact CG-CD2 4.42Å; H122-Y126 HydrophobicContact CB-CD2 4.42Å; H122-Y126 PolarHBondContact N-O 2.87Å; H122-Y126 AromaticContact ND1-CD2 3.98Å; N124-Y126 HydrophobicContact CB-CD2 3.92Å; N124-Y126 HydrophobicContact CB-CE2 3.76Å
127	Q	93.8	Very high	93.5	Very high	86 Å²	86	48.8 Å²	48.8	40%	0.402	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.9	169.5	-174.6	-179.2	-8.2	0	0	109.2	V119 Y121	V119-Q127 HydrophobicContact CG1-CG 3.55Å; Y121-Q127 HydrophobicContact CD1-CB 4.5Å; Y121-Q127 HydrophobicContact CE1-CB 4.28Å; Y121-Q127 HydrophobicContact CE1-CG 4.12Å
128	L	94.6	Very high	94	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.6	177.5	-56.5	178.3	0	0	0	109.2	N53 G54 V55 M58 F66 V119 A120 H122	N53-L128 CarbonylContact O-C 3.57Å; N53-L128 WeakPolarHBondContact O-CA 3.38Å; G54-L128 WeakPolarHBondContact O-CD2 3.3Å; V55-L128 HydrophobicContact CG1-CD2 3.87Å; M58-L128 HydrophobicContact SD-CD1 4.39Å; M58-L128 HydrophobicContact SD-CD2 4.1Å; F66-L128 HydrophobicContact CD1-CD1 4.32Å; F66-L128 HydrophobicContact CE1-CD1 3.79Å; F66-L128 HydrophobicContact CZ-CD1 4.43Å; V119-L128 CarbonylContact C-O 3.59Å; V119-L128 WeakPolarHBondContact CA-O 3.39Å; A120-L128 HydrophobicContact CB-CB 4.34Å; A120-L128 PolarHBondContact N-O 2.91Å; A120-L128 PolarHBondContact O-N 2.73Å; H122-L128 HydrophobicContact CB-CD1 4.47Å
129	L	94.3	Very high	94.1	Very high	33 Å²	33	56.9 Å²	56.9	17%	0.173	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.7	165.3	-58.2	178.4	0	0	0	108.4	L52 N53 V110 H117 W118 V119	L52-L129 WeakPolarHBondContact CA-O 3.49Å; N53-L129 HydrophobicContact CB-CB 4.23Å; N53-L129 PolarHBondContact N-O 2.9Å; N53-L129 PolarHBondContact O-N 3.03Å; V110-L129 HydrophobicContact CG1-CD1 4.19Å; H117-L129 HydrophobicContact CB-CB 4.18Å; H117-L129 HydrophobicContact CB-CD2 4.43Å; W118-L129 CarbonylContact O-C 3.57Å; W118-L129 WeakPolarHBondContact O-CA 3.36Å; V119-L129 HydrophobicContact CG2-CD2 4.17Å
130	I	95	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137	-176.8	-169.9	167.4	0	0	0	111.2	L50 H51 L52 M97 I100 W118 A120	L50-I130 HydrophobicContact CB-CD1 4.23Å; L50-I130 HydrophobicContact CB-CG1 4.23Å; L50-I130 HydrophobicContact CD1-CD1 3.74Å; L50-I130 HydrophobicContact CD1-CG1 4.46Å; L50-I130 HydrophobicContact CG-CD1 4.49Å; H51-I130 WeakPolarHBondContact O-CA 3.35Å; L52-I130 HydrophobicContact CD2-CB 3.94Å; L52-I130 HydrophobicContact CD2-CD1 3.57Å; L52-I130 HydrophobicContact CD2-CG1 3.63Å; M97-I130 HydrophobicContact CE-CB 4.45Å; M97-I130 HydrophobicContact CE-CG1 3.87Å; M97-I130 HydrophobicContact CE-CG2 4.2Å; M97-I130 HydrophobicContact SD-CB 4.31Å; M97-I130 HydrophobicContact SD-CD1 3.85Å; M97-I130 HydrophobicContact SD-CG1 3.74Å; M97-I130 HydrophobicContact SD-CG2 3.7Å; I100-I130 HydrophobicContact CD1-CD1 3.67Å; I100-I130 HydrophobicContact CG1-CD1 4.02Å; W118-I130 HydrophobicContact CB-CG2 3.77Å; W118-I130 PolarHBondContact N-O 2.92Å; W118-I130 PolarHBondContact O-N 3.17Å; A120-I130 HydrophobicContact CB-CG2 4.27Å
131	R	94.2	Very high	93.8	Very high	16 Å²	16	63.1 Å²	63.1	6%	0.06	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167.8	171.7	60	172.4	176.3	72.7	-0.1	109.7	L50 H51 M97 E115 H117 E134 D137	L50-R131 CarbonylContact C-O 3.58Å; L50-R131 WeakPolarHBondContact CA-O 3.29Å; H51-R131 HydrophobicContact CB-CG 3.99Å; H51-R131 PolarHBondContact N-O 3.07Å; H51-R131 PolarHBondContact O-N 3.17Å; M97-R131 VanDerWaalsContact CE-CA 3.42Å; E115-R131 IonicContact OE2-NE 3.95Å; H117-R131 VanDerWaalsContact NE2-CD 3.3Å; H117-R131 WeakPolarHBondContact NE2-CD 3.47Å; H117-R131 PolarHBondContact NE2-NE 3.47Å; R131-E134 IonicContact NH1-OE1 3.18Å; R131-D137 IonicContact CZ-OD1 3.96Å; R131-D137 IonicContact CZ-OD2 3.48Å; R131-D137 VanDerWaalsContact CZ-OD2 3.3Å; R131-D137 IonicContact NH1-OD1 3.07Å; R131-D137 IonicContact NH1-OD2 2.88Å; R131-D137 PolarHBondContact NH1-OD2 3.32Å; R131-D137 VanDerWaalsContact NH2-CG 3.34Å; R131-D137 IonicContact NH2-OD1 3.25Å; R131-D137 PolarHBondContact NH2-OD1 3.3Å; R131-D137 IonicContact NH2-OD2 2.75Å; R131-D137 PolarHBondContact NH2-OD2 2.99Å; R131-D137 VanDerWaalsContact NH2-OD2 3.07Å
132	F	95.4	Very high	93.3	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	139.6	165.6	-75.1	-82.6	0	0	0	109.8	L31 Y32 F35 I37 Y45 M47 L50 A93 A94 M97	L31-F132 HydrophobicContact CD2-CZ 4.3Å; Y32-F132 AromaticContact CD1-CE2 3.91Å; Y32-F132 HydrophobicContact CD1-CE2 3.91Å; Y32-F132 AromaticContact CD1-CZ 3.96Å; Y32-F132 HydrophobicContact CD1-CZ 3.96Å; Y32-F132 AromaticContact CE1-CE1 3.99Å; Y32-F132 HydrophobicContact CE1-CE1 3.99Å; Y32-F132 HydrophobicContact CE1-CE2 4.03Å; Y32-F132 AromaticContact CE1-CZ 3.59Å; Y32-F132 HydrophobicContact CE1-CZ 3.59Å; F35-F132 AromaticContact CD2-CE2 3.97Å; F35-F132 HydrophobicContact CD2-CE2 3.97Å; F35-F132 HydrophobicContact CE2-CE2 4.31Å; F35-F132 HydrophobicContact CG-CD2 4.41Å; F35-F132 HydrophobicContact CG-CE2 4.26Å; I37-F132 HydrophobicContact CD1-CB 3.88Å; I37-F132 HydrophobicContact CD1-CD2 3.54Å; I37-F132 HydrophobicContact CD1-CE2 4.39Å; I37-F132 HydrophobicContact CD1-CG 3.93Å; Y45-F132 HydrophobicContact CD1-CB 4.17Å; M47-F132 WeakPolarHBondContact O-CE1 3.29Å; M47-F132 HydrophobicContact SD-CD1 4.47Å; L50-F132 HydrophobicContact CD2-CD1 3.78Å; L50-F132 HydrophobicContact CD2-CE1 3.85Å; L50-F132 HydrophobicContact CD2-CG 4.25Å; L50-F132 HydrophobicContact CD2-CZ 4.35Å; A93-F132 HydrophobicContact CB-CE1 4.34Å; A94-F132 HydrophobicContact CB-CZ 4.35Å; M97-F132 HydrophobicContact CG-CE2 4.49Å
133	A	96	Very high	93	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.008	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.2	179.9	0	0	0	0	0	109.9	Y45 R46 A49 H51 N84	Y45-A133 CarbonylContact C-O 3.57Å; Y45-A133 WeakPolarHBondContact CA-O 3.41Å; R46-A133 PolarHBondContact N-O 3.07Å; A49-A133 HydrophobicContact CB-CB 3.84Å; A49-A133 PolarHBondContact O-N 2.81Å; H51-A133 HydrophobicContact CB-CB 4.32Å; N84-A133 HydrophobicContact CB-CB 4.35Å
134	E	94.9	Very high	92.4	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.112	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	156.8	171.8	-70.9	-174.1	-129	0	0	110.6	K44 Y45 R131 R136 D137	K44-E134 CarbonylContact O-C 3.56Å; K44-E134 WeakPolarHBondContact O-CA 3.26Å; Y45-E134 HydrophobicContact CD1-CG 3.62Å; Y45-E134 HydrophobicContact CE1-CG 3.45Å; Y45-E134 VanDerWaalsContact CE1-CG 3.45Å; R131-E134 IonicContact NH1-OE1 3.18Å; E134-R136 HydrophobicContact CB-CG 3.81Å; E134-R136 VanDerWaalsContact CD-NE 3.31Å; E134-R136 PolarHBondContact O-N 3Å; E134-R136 VanDerWaalsContact O-N 3.13Å; E134-R136 IonicContact OE1-CZ 3.54Å; E134-R136 IonicContact OE1-NE 2.72Å; E134-R136 PolarHBondContact OE1-NE 3.2Å; E134-R136 IonicContact OE1-NH2 3.34Å; E134-R136 PolarHBondContact OE1-NH2 3.25Å; E134-R136 WeakPolarHBondContact OE2-CD 3.48Å; E134-R136 IonicContact OE2-CZ 3.3Å; E134-R136 VanDerWaalsContact OE2-CZ 3.3Å; E134-R136 IonicContact OE2-NE 3.76Å; E134-R136 PolarHBondContact OE2-NE 3Å; E134-R136 IonicContact OE2-NH2 3.91Å; E134-R136 PolarHBondContact OE2-NH2 3.07Å; E134-D137 PolarHBondContact N-OD2 3.37Å; E134-D137 VanDerWaalsContact O-CB 3.3Å; E134-D137 WeakPolarHBondContact O-CB 3.43Å; E134-D137 PolarHBondContact O-N 3.39Å
135	L	95.2	Very high	92.1	Very high	106 Å²	106	57.4 Å²	57.4	56%	0.555	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.6	173.1	-66	-178.6	0	0	0	112.6	N43 K44 R46 D137 I138	N43-L135 WeakPolarHBondContact O-CD1 3.37Å; K44-L135 PolarHBondContact O-N 3.37Å; R46-L135 HydrophobicContact CB-CD2 4.46Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-I138 WeakPolarHBondContact O-CG2 3.26Å
136	R	94.7	Very high	91.8	Very high	148 Å²	148	62.1 Å²	62.1	56%	0.558	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.3	174.1	65.2	172.1	170.6	160.8	4.3	114	E115 E134 I138	E115-R136 IonicContact OE1-CZ 3.59Å; E115-R136 IonicContact OE1-NH1 3.78Å; E115-R136 IonicContact OE1-NH2 3.43Å; E115-R136 PolarHBondContact OE1-NH2 3.33Å; E134-R136 HydrophobicContact CB-CG 3.81Å; E134-R136 VanDerWaalsContact CD-NE 3.31Å; E134-R136 PolarHBondContact O-N 3Å; E134-R136 VanDerWaalsContact O-N 3.13Å; E134-R136 IonicContact OE1-CZ 3.54Å; E134-R136 IonicContact OE1-NE 2.72Å; E134-R136 PolarHBondContact OE1-NE 3.2Å; E134-R136 IonicContact OE1-NH2 3.34Å; E134-R136 PolarHBondContact OE1-NH2 3.25Å; E134-R136 WeakPolarHBondContact OE2-CD 3.48Å; E134-R136 IonicContact OE2-CZ 3.3Å; E134-R136 VanDerWaalsContact OE2-CZ 3.3Å; E134-R136 IonicContact OE2-NE 3.76Å; E134-R136 PolarHBondContact OE2-NE 3Å; E134-R136 IonicContact OE2-NH2 3.91Å; E134-R136 PolarHBondContact OE2-NH2 3.07Å; R136-I138 PolarHBondContact O-N 3.12Å
137	D	95.8	Very high	91.5	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.091	28%	0.281	C	S	.	.			trans	-77.4	59.4	179.1	-67.5	-31	0	0	0	111	H51 I78 N84 R131 E134 L135	H51-D137 IonicContact CG-OD2 2.64Å; H51-D137 IonicContact ND1-OD2 3.84Å; I78-D137 HydrophobicContact CD1-CB 3.76Å; I78-D137 WeakPolarHBondContact CD1-O 3.32Å; N84-D137 PolarHBondContact ND2-O 2.95Å; R131-D137 IonicContact CZ-OD1 3.96Å; R131-D137 IonicContact CZ-OD2 3.48Å; R131-D137 VanDerWaalsContact CZ-OD2 3.3Å; R131-D137 IonicContact NH1-OD1 3.07Å; R131-D137 IonicContact NH1-OD2 2.88Å; R131-D137 PolarHBondContact NH1-OD2 3.32Å; R131-D137 VanDerWaalsContact NH2-CG 3.34Å; R131-D137 IonicContact NH2-OD1 3.25Å; R131-D137 PolarHBondContact NH2-OD1 3.3Å; R131-D137 IonicContact NH2-OD2 2.75Å; R131-D137 PolarHBondContact NH2-OD2 2.99Å; R131-D137 VanDerWaalsContact NH2-OD2 3.07Å; E134-D137 PolarHBondContact N-OD2 3.37Å; E134-D137 VanDerWaalsContact O-CB 3.3Å; E134-D137 WeakPolarHBondContact O-CB 3.43Å; E134-D137 PolarHBondContact O-N 3.39Å; L135-D137 VanDerWaalsContact C-N 3.34Å
138	I	95	Very high	91.1	Very high	120 Å²	120	60.7 Å²	60.7	62%	0.615	29%	0.29	S	S	*	.	S	Bend	trans	-114.5	148.6	-178.4	59.8	168.9	0	0	0	110.1	L135 R136 G140	L135-I138 WeakPolarHBondContact O-CG2 3.26Å; R136-I138 PolarHBondContact O-N 3.12Å; I138-G140 PolarHBondContact O-N 2.78Å
139	K	93.5	Very high	90.6	Very high	106 Å²	106	66 Å²	66	46%	0.461	31%	0.311	S	S	.	.			trans	-59.3	112.2	175.6	-170.9	174.7	-155.3	127.2	0	110	W77 A143	W77-K139 WeakPolarHBondContact O-CD 3.45Å; W77-K139 PolarHBondContact O-NZ 3.32Å; W77-K139 VanDerWaalsContact O-NZ 3.15Å; K139-A143 HydrophobicContact CD-CB 4.45Å; K139-A143 HydrophobicContact CG-CB 3.71Å
140	G	91.2	Very high	89.9	Confident	25 Å²	25	66.2 Å²	66.2	26%	0.258	31%	0.31	S	S	.	.			trans	-59	155.7	-178.2	0	0	0	0	0	113	I138 K142 A143	I138-G140 PolarHBondContact O-N 2.78Å; G140-K142 PolarHBondContact O-N 3.29Å; G140-A143 VanDerWaalsContact O-CB 3.25Å; G140-A143 WeakPolarHBondContact O-CB 3.25Å; G140-A143 PolarHBondContact O-N 3.15Å
141	P	89.1	Confident	89.3	Confident	113 Å²	113	72.5 Å²	72.5	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	136.2	177.4	25.7	-34.3	0	0	0	109.7	A143 R146	P141-A143 PolarHBondContact O-N 2.8Å; P141-A143 VanDerWaalsContact O-N 3.11Å; P141-R146 PolarHBondContact O-NH2 3.03Å
142	K	84.9	Confident	88.6	Confident	127 Å²	127	73.3 Å²	73.3	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	26.6	-178.8	-51.2	174.6	-178.8	173.4	0	113.9	G140 Y144 L145	G140-K142 PolarHBondContact O-N 3.29Å; K142-Y144 HydrophobicContact CB-CE1 4.11Å; K142-Y144 HydrophobicContact CG-CE1 4.43Å; K142-Y144 PolarHBondContact O-N 2.58Å; K142-Y144 VanDerWaalsContact O-N 3.09Å; K142-L145 HydrophobicContact CB-CD1 3.69Å; K142-L145 HydrophobicContact CB-CG 4Å; K142-L145 HydrophobicContact CD-CD1 3.84Å; K142-L145 HydrophobicContact CG-CD1 4.23Å; K142-L145 WeakPolarHBondContact O-CB 3.32Å; K142-L145 PolarHBondContact O-N 3.34Å
143	A	87.2	Confident	87.7	Confident	11 Å²	11	77.4 Å²	77.4	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-52.1	-32.9	175.9	0	0	0	0	0	112.9	K139 G140 P141 L145 R146 S147	K139-A143 HydrophobicContact CD-CB 4.45Å; K139-A143 HydrophobicContact CG-CB 3.71Å; G140-A143 VanDerWaalsContact O-CB 3.25Å; G140-A143 WeakPolarHBondContact O-CB 3.25Å; G140-A143 PolarHBondContact O-N 3.15Å; P141-A143 PolarHBondContact O-N 2.8Å; P141-A143 VanDerWaalsContact O-N 3.11Å; A143-L145 PolarHBondContact O-N 3.46Å; A143-L145 VanDerWaalsContact O-N 3.12Å; A143-R146 PolarHBondContact O-N 2.75Å; A143-S147 PolarHBondContact O-N 3.18Å; A143-S147 VanDerWaalsContact O-N 3.07Å
144	Y	80.5	Confident	87.1	Confident	55 Å²	55	77.4 Å²	77.4	22%	0.216	36%	0.359	C	S	.	.	H	α-helix	trans	-57.9	-24.4	174.8	75.7	-89.1	0	0	0	114.1	K142 R146	K142-Y144 HydrophobicContact CB-CE1 4.11Å; K142-Y144 HydrophobicContact CG-CE1 4.43Å; K142-Y144 PolarHBondContact O-N 2.58Å; K142-Y144 VanDerWaalsContact O-N 3.09Å; Y144-R146 VanDerWaalsContact C-N 3.31Å
145	L	83.6	Confident	86.4	Confident	62 Å²	62	77.6 Å²	77.6	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-70.4	-31	176.3	-64.6	179.5	0	0	0	112.2	K142 A143 R151 L164	K142-L145 HydrophobicContact CB-CD1 3.69Å; K142-L145 HydrophobicContact CB-CG 4Å; K142-L145 HydrophobicContact CD-CD1 3.84Å; K142-L145 HydrophobicContact CG-CD1 4.23Å; K142-L145 WeakPolarHBondContact O-CB 3.32Å; K142-L145 PolarHBondContact O-N 3.34Å; A143-L145 PolarHBondContact O-N 3.46Å; A143-L145 VanDerWaalsContact O-N 3.12Å; L145-R151 PolarHBondContact O-NH2 3.14Å; L145-L164 HydrophobicContact CD2-CB 4.48Å; L145-L164 HydrophobicContact CD2-CD1 3.98Å; L145-L164 HydrophobicContact CD2-CD2 3.95Å; L145-L164 HydrophobicContact CD2-CG 4.35Å
146	R	87	Confident	85.7	Confident	164 Å²	164	76.7 Å²	76.7	62%	0.619	36%	0.362	S	S	*	.	H	α-helix	trans	-93.2	-25.5	-175.6	-13.6	177.3	-167.9	-178.2	3.3	112.1	P141 A143 Y144 K148	P141-R146 PolarHBondContact O-NH2 3.03Å; A143-R146 PolarHBondContact O-N 2.75Å; Y144-R146 VanDerWaalsContact C-N 3.31Å; R146-K148 PolarHBondContact O-N 3.43Å
147	S	85.8	Confident	85	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.063	37%	0.372	C	S	.	.			trans	-64.6	123.2	-175.4	169.4	0	0	0	0	112.2	D80 A143 Y149 F150 R151	D80-S147 WeakPolarHBondContact OD1-CA 3.39Å; D80-S147 VanDerWaalsContact OD1-CB 3.25Å; D80-S147 WeakPolarHBondContact OD1-CB 3.48Å; D80-S147 PolarHBondContact OD1-OG 3.3Å; D80-S147 VanDerWaalsContact OD2-CA 3.26Å; D80-S147 WeakPolarHBondContact OD2-CA 3.46Å; A143-S147 PolarHBondContact O-N 3.18Å; A143-S147 VanDerWaalsContact O-N 3.07Å; S147-Y149 VanDerWaalsContact C-N 3.29Å; S147-Y149 WeakPolarHBondContact OG-CB 3.41Å; S147-Y149 PolarHBondContact OG-N 3.18Å; S147-F150 WeakPolarHBondContact OG-CD2 3.38Å; S147-F150 PolarHBondContact OG-N 2.73Å; S147-R151 WeakPolarHBondContact O-CG 3.34Å
148	K	86	Confident	84.4	Confident	135 Å²	135	78.8 Å²	78.8	59%	0.587	37%	0.369	S	S	*	.	H	α-helix	trans	-61.4	-39.6	168.1	-174	-175.7	175.7	-166.7	0	110.2	D80 R146 F150 R151 V152	D80-K148 WeakPolarHBondContact OD2-CB 3.37Å; D80-K148 PolarHBondContact OD2-N 3.16Å; R146-K148 PolarHBondContact O-N 3.43Å; K148-F150 PolarHBondContact O-N 2.91Å; K148-R151 WeakPolarHBondContact O-CB 3.32Å; K148-R151 PolarHBondContact O-N 3.08Å; K148-R151 VanDerWaalsContact O-N 3.07Å; K148-V152 HydrophobicContact CG-CG2 4.11Å; K148-V152 WeakPolarHBondContact O-CG2 3.25Å; K148-V152 PolarHBondContact O-N 3.3Å
149	Y	82.6	Confident	83.6	Confident	112 Å²	112	73.5 Å²	73.5	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-53.9	-52.6	179.5	179.5	-84.6	0	0	0	112.2	S147 R151 V152 H153	S147-Y149 VanDerWaalsContact C-N 3.29Å; S147-Y149 WeakPolarHBondContact OG-CB 3.41Å; S147-Y149 PolarHBondContact OG-N 3.18Å; Y149-R151 PolarHBondContact O-N 3.24Å; Y149-V152 PolarHBondContact O-N 3.29Å; Y149-H153 HydrophobicContact CD2-CB 4.41Å; Y149-H153 AromaticContact CD2-CD2 3.41Å; Y149-H153 VanDerWaalsContact CD2-CD2 3.41Å; Y149-H153 WeakPolarHBondContact CD2-CD2 3.46Å; Y149-H153 HydrophobicContact CE1-CB 4.15Å; Y149-H153 HydrophobicContact CE2-CB 4.06Å; Y149-H153 AromaticContact CE2-CD2 3.61Å; Y149-H153 AromaticContact CE2-CG 3.97Å; Y149-H153 AromaticContact CG-CD2 3.99Å; Y149-H153 PolarHBondContact O-N 3.45Å
150	F	80.4	Confident	83.1	Confident	37 Å²	37	69.1 Å²	69.1	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-23.2	-179.2	-73.9	-71.4	0	0	0	113.7	S147 K148 G154 N155 G163	S147-F150 WeakPolarHBondContact OG-CD2 3.38Å; S147-F150 PolarHBondContact OG-N 2.73Å; K148-F150 PolarHBondContact O-N 2.91Å; F150-G154 VanDerWaalsContact O-CA 3.25Å; F150-G154 WeakPolarHBondContact O-CA 3.46Å; F150-G154 PolarHBondContact O-N 3.48Å; F150-N155 HydrophobicContact CD1-CB 3.86Å; F150-N155 HydrophobicContact CE1-CB 4.04Å; F150-G163 PolarHBondContact O-N 2.81Å; F150-G163 VanDerWaalsContact O-N 3.15Å
151	R	82.1	Confident	82.6	Confident	131 Å²	131	68.1 Å²	68.1	49%	0.494	32%	0.317	S	S	.	.	H	α-helix	trans	-75.1	-40.9	175.4	-64.9	173.3	-167.9	178.8	2.6	111	L145 S147 K148 Y149	L145-R151 PolarHBondContact O-NH2 3.14Å; S147-R151 WeakPolarHBondContact O-CG 3.34Å; K148-R151 WeakPolarHBondContact O-CB 3.32Å; K148-R151 PolarHBondContact O-N 3.08Å; K148-R151 VanDerWaalsContact O-N 3.07Å; Y149-R151 PolarHBondContact O-N 3.24Å
152	V	79	Confident	82.1	Confident	33 Å²	33	65.1 Å²	65.1	20%	0.2	29%	0.291	C	S	.	.	H	α-helix	trans	-85	-54.9	-174.5	176.6	0	0	0	0	111.7	K148 Y149 A239	K148-V152 HydrophobicContact CG-CG2 4.11Å; K148-V152 WeakPolarHBondContact O-CG2 3.25Å; K148-V152 PolarHBondContact O-N 3.3Å; Y149-V152 PolarHBondContact O-N 3.29Å; V152-A239 HydrophobicContact CG1-CB 3.45Å; V152-A239 VanDerWaalsContact CG1-CB 3.45Å
153	H	78.2	Confident	81.7	Confident	90 Å²	90	60.4 Å²	60.4	42%	0.417	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.3	-173.8	-55.7	-69.4	0	0	0	113.4	Y149	Y149-H153 HydrophobicContact CD2-CB 4.41Å; Y149-H153 AromaticContact CD2-CD2 3.41Å; Y149-H153 VanDerWaalsContact CD2-CD2 3.41Å; Y149-H153 WeakPolarHBondContact CD2-CD2 3.46Å; Y149-H153 HydrophobicContact CE1-CB 4.15Å; Y149-H153 HydrophobicContact CE2-CB 4.06Å; Y149-H153 AromaticContact CE2-CD2 3.61Å; Y149-H153 AromaticContact CE2-CG 3.97Å; Y149-H153 AromaticContact CG-CD2 3.99Å; Y149-H153 PolarHBondContact O-N 3.45Å
154	G	81.5	Confident	81.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.298	C	S	.	.			trans	73.6	-175.4	-177.2	0	0	0	0	0	114.3	F150 P156 I161	F150-G154 VanDerWaalsContact O-CA 3.25Å; F150-G154 WeakPolarHBondContact O-CA 3.46Å; F150-G154 PolarHBondContact O-N 3.48Å; G154-P156 WeakPolarHBondContact O-CD 3.25Å; G154-I161 CarbonylContact C-O 3.55Å; G154-I161 WeakPolarHBondContact CA-O 3.1Å
155	N	81.4	Confident	81.1	Confident	28 Å²	28	62.5 Å²	62.5	15%	0.15	29%	0.292	C	S	.	.			trans	-100.4	111	179.7	-173.9	-7.8	0	0	0	110.4	F150 R157 L158 G160 I161	F150-N155 HydrophobicContact CD1-CB 3.86Å; F150-N155 HydrophobicContact CE1-CB 4.04Å; N155-R157 PolarHBondContact O-N 3.24Å; N155-R157 VanDerWaalsContact O-N 3.12Å; N155-R157 WeakPolarHBondContact OD1-CB 3.42Å; N155-R157 PolarHBondContact OD1-N 3.11Å; N155-R157 VanDerWaalsContact OD1-N 3.09Å; N155-L158 HydrophobicContact CB-CB 4.23Å; N155-L158 HydrophobicContact CB-CD1 4.03Å; N155-L158 HydrophobicContact CB-CG 4.22Å; N155-L158 VanDerWaalsContact ND2-CD1 3.32Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.38Å; N155-L158 CarbonylContact O-C 3.54Å; N155-L158 PolarHBondContact O-N 3.38Å; N155-G160 PolarHBondContact O-N 2.88Å; N155-I161 PolarHBondContact N-O 3.15Å
156	P	79.9	Confident	81.1	Confident	87 Å²	87	62.9 Å²	62.9	57%	0.565	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-55.7	-32.8	179	-26.3	34.1	0	0	0	113.3	G154 L158 G159	G154-P156 WeakPolarHBondContact O-CD 3.25Å; P156-L158 PolarHBondContact O-N 3.06Å; P156-G159 PolarHBondContact O-N 3.09Å
157	R	79.4	Confident	81	Confident	207 Å²	207	62.6 Å²	62.6	78%	0.781	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-71	-15.7	179	-63.8	-172.3	174.6	-168.2	-1.9	114	N155	N155-R157 PolarHBondContact O-N 3.24Å; N155-R157 VanDerWaalsContact O-N 3.12Å; N155-R157 WeakPolarHBondContact OD1-CB 3.42Å; N155-R157 PolarHBondContact OD1-N 3.11Å; N155-R157 VanDerWaalsContact OD1-N 3.09Å
158	L	83.4	Confident	80.9	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.016	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-112.4	29.9	179	-57.4	172.7	0	0	0	110.2	N155 P156 G160 I161 V165 K170 I173 L174 I183	N155-L158 HydrophobicContact CB-CB 4.23Å; N155-L158 HydrophobicContact CB-CD1 4.03Å; N155-L158 HydrophobicContact CB-CG 4.22Å; N155-L158 VanDerWaalsContact ND2-CD1 3.32Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.38Å; N155-L158 CarbonylContact O-C 3.54Å; N155-L158 PolarHBondContact O-N 3.38Å; P156-L158 PolarHBondContact O-N 3.06Å; L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 3.32Å; L158-I161 HydrophobicContact CB-CD1 4.25Å; L158-I161 WeakPolarHBondContact O-CD1 3.05Å; L158-I161 VanDerWaalsContact O-CG1 3.3Å; L158-I161 WeakPolarHBondContact O-CG1 3.22Å; L158-V165 HydrophobicContact CD1-CB 3.93Å; L158-V165 HydrophobicContact CD1-CG1 4.02Å; L158-V165 HydrophobicContact CD1-CG2 3.85Å; L158-K170 HydrophobicContact CD1-CD 4.21Å; L158-K170 HydrophobicContact CD1-CG 3.74Å; L158-K170 HydrophobicContact CD2-CB 4.46Å; L158-K170 HydrophobicContact CD2-CG 4.46Å; L158-I173 HydrophobicContact CD2-CB 4.31Å; L158-I173 HydrophobicContact CD2-CG2 4.09Å; L158-L174 HydrophobicContact CD2-CD2 4.26Å; L158-L174 HydrophobicContact CD2-CG 4.09Å; L158-I183 WeakPolarHBondContact O-CG2 3.26Å
159	G	79.9	Confident	80.9	Confident	9 Å²	9	60.8 Å²	60.8	9%	0.093	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	11.2	177.2	0	0	0	0	0	114.9	P156 E187	P156-G159 PolarHBondContact O-N 3.09Å; G159-E187 VanDerWaalsContact O-CG 3.29Å; G159-E187 WeakPolarHBondContact O-CG 3.14Å
160	G	81.6	Confident	81.1	Confident	14 Å²	14	57.3 Å²	57.3	14%	0.144	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	1.6	179.6	0	0	0	0	0	114.7	N155 L158 R162	N155-G160 PolarHBondContact O-N 2.88Å; L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 3.32Å; G160-R162 PolarHBondContact O-N 3.33Å; G160-R162 VanDerWaalsContact O-N 3.07Å
161	I	81.1	Confident	81.5	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.015	32%	0.32	C	S	.	.			trans	-51.5	120.5	-179.2	-67.2	169.8	0	0	0	111.6	G154 N155 L158 V165 I173 I183 L247	G154-I161 CarbonylContact C-O 3.55Å; G154-I161 WeakPolarHBondContact CA-O 3.1Å; N155-I161 PolarHBondContact N-O 3.15Å; L158-I161 HydrophobicContact CB-CD1 4.25Å; L158-I161 WeakPolarHBondContact O-CD1 3.05Å; L158-I161 VanDerWaalsContact O-CG1 3.3Å; L158-I161 WeakPolarHBondContact O-CG1 3.22Å; I161-V165 HydrophobicContact CB-CG2 4.13Å; I161-V165 HydrophobicContact CG2-CG2 3.38Å; I161-I173 HydrophobicContact CD1-CD1 3.34Å; I161-I183 HydrophobicContact CD1-CD1 3.86Å; I161-I183 HydrophobicContact CD1-CG1 4.46Å; I161-I183 HydrophobicContact CD1-CG2 4.07Å; I161-I183 HydrophobicContact CG1-CG2 3.69Å; I161-L247 HydrophobicContact CB-CD1 4.11Å; I161-L247 HydrophobicContact CD1-CD1 3.94Å; I161-L247 HydrophobicContact CD1-CD2 3.37Å; I161-L247 HydrophobicContact CD1-CG 4.27Å; I161-L247 HydrophobicContact CG1-CD1 3.75Å; I161-L247 HydrophobicContact CG1-CD2 3.8Å; I161-L247 HydrophobicContact CG1-CG 4.3Å; I161-L247 HydrophobicContact CG2-CD1 3.33Å
162	R	78.1	Confident	81.8	Confident	51 Å²	51	60.1 Å²	60.1	19%	0.192	31%	0.309	C	S	.	.			trans	-78	144.1	176.3	-58.5	177	-172.6	-147	-14.3	111.3	G160 S238 R241	G160-R162 PolarHBondContact O-N 3.33Å; G160-R162 VanDerWaalsContact O-N 3.07Å; R162-S238 PolarHBondContact NH1-O 2.72Å; R162-S238 PolarHBondContact NH2-O 3.02Å; R162-S238 VanDerWaalsContact NH2-O 3.14Å; R162-S238 PolarHBondContact NH2-OG 2.91Å; R162-R241 PolarHBondContact NH1-O 3.27Å
163	G	77.7	Confident	82.3	Confident	27 Å²	27	58.6 Å²	58.6	28%	0.278	30%	0.299	S	S	.	.	S	Bend	trans	86.2	-166.2	175	0	0	0	0	0	115.2	F150 V165	F150-G163 PolarHBondContact O-N 2.81Å; F150-G163 VanDerWaalsContact O-N 3.15Å; G163-V165 PolarHBondContact O-N 2.75Å
164	L	76.2	Confident	82.8	Confident	97 Å²	97	59.5 Å²	59.5	51%	0.508	31%	0.307	S	S	.	.			trans	-88.4	98.8	-170.6	-58.5	-174.6	0	0	0	111.4	L145	L145-L164 HydrophobicContact CD2-CB 4.48Å; L145-L164 HydrophobicContact CD2-CD1 3.98Å; L145-L164 HydrophobicContact CD2-CD2 3.95Å; L145-L164 HydrophobicContact CD2-CG 4.35Å
165	V	79.2	Confident	83.2	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.079	34%	0.336	C	S	.	.			trans	-78	123.8	175.5	-169.9	0	0	0	0	110.7	L158 I161 G163 M169 K170 I173	L158-V165 HydrophobicContact CD1-CB 3.93Å; L158-V165 HydrophobicContact CD1-CG1 4.02Å; L158-V165 HydrophobicContact CD1-CG2 3.85Å; I161-V165 HydrophobicContact CB-CG2 4.13Å; I161-V165 HydrophobicContact CG2-CG2 3.38Å; G163-V165 PolarHBondContact O-N 2.75Å; V165-M169 HydrophobicContact CG1-CB 3.58Å; V165-M169 HydrophobicContact CG1-CG 3.56Å; V165-K170 HydrophobicContact CB-CG 3.91Å; V165-K170 HydrophobicContact CG1-CG 3.58Å; V165-K170 WeakPolarHBondContact O-CE 3.46Å; V165-I173 HydrophobicContact CG1-CD1 4.4Å
166	S	82.7	Confident	83.6	Confident	70 Å²	70	65.6 Å²	65.6	49%	0.49	34%	0.335	S	S	.	.			trans	-62.8	152.7	177.5	78.9	0	0	0	0	111.5	G168 M169 K170	S166-G168 VanDerWaalsContact C-N 3.27Å; S166-G168 PolarHBondContact O-N 3.47Å; S166-M169 WeakPolarHBondContact O-CB 3.47Å; S166-M169 PolarHBondContact O-N 2.71Å; S166-M169 VanDerWaalsContact OG-CB 3.29Å; S166-M169 WeakPolarHBondContact OG-CB 3.36Å; S166-M169 PolarHBondContact OG-N 3.29Å; S166-K170 WeakPolarHBondContact O-CG 3.19Å; S166-K170 PolarHBondContact O-N 2.95Å
167	K	84.1	Confident	84.1	Confident	159 Å²	159	65.9 Å²	65.9	69%	0.691	34%	0.337	S	S	*	.	H	α-helix	trans	-56.1	-42	179.2	-72.3	-174.1	177.6	-175.8	0	112.5	M169 K170 R171	K167-M169 VanDerWaalsContact C-N 3.32Å; K167-M169 PolarHBondContact O-N 2.93Å; K167-K170 PolarHBondContact O-N 3.07Å; K167-R171 WeakPolarHBondContact O-CB 3.32Å; K167-R171 PolarHBondContact O-N 3.09Å
168	G	85.4	Confident	84.6	Confident	52 Å²	52	59 Å²	59	54%	0.536	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-41.3	176.9	0	0	0	0	0	111.8	S166 R171 K172	S166-G168 VanDerWaalsContact C-N 3.27Å; S166-G168 PolarHBondContact O-N 3.47Å; G168-R171 PolarHBondContact O-N 3.06Å; G168-K172 PolarHBondContact O-N 2.92Å
169	M	85	Confident	84.8	Confident	53 Å²	53	58.9 Å²	58.9	26%	0.261	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-45.4	176.5	-169.7	66.2	79	0	0	112.2	V165 S166 K167 R171 K172 I173 L251	V165-M169 HydrophobicContact CG1-CB 3.58Å; V165-M169 HydrophobicContact CG1-CG 3.56Å; S166-M169 WeakPolarHBondContact O-CB 3.47Å; S166-M169 PolarHBondContact O-N 2.71Å; S166-M169 VanDerWaalsContact OG-CB 3.29Å; S166-M169 WeakPolarHBondContact OG-CB 3.36Å; S166-M169 PolarHBondContact OG-N 3.29Å; K167-M169 VanDerWaalsContact C-N 3.32Å; K167-M169 PolarHBondContact O-N 2.93Å; M169-R171 VanDerWaalsContact C-N 3.27Å; M169-R171 PolarHBondContact O-N 3.33Å; M169-K172 PolarHBondContact O-N 3.12Å; M169-K172 VanDerWaalsContact O-N 3.14Å; M169-I173 HydrophobicContact CG-CD1 3.81Å; M169-I173 HydrophobicContact CG-CG1 4.46Å; M169-I173 WeakPolarHBondContact O-CG1 3.29Å; M169-I173 PolarHBondContact O-N 3.04Å; M169-I173 HydrophobicContact SD-CD1 4.48Å; M169-L251 HydrophobicContact CE-CD1 3.13Å; M169-L251 HydrophobicContact SD-CD1 3.29Å; M169-L251 WeakPolarHBondContact SD-CD1 3.49Å; M169-L251 HydrophobicContact SD-CD2 4.28Å; M169-L251 HydrophobicContact SD-CG 4.43Å
170	K	87.2	Confident	85.2	Confident	40 Å²	40	60 Å²	60	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-46.4	174.3	-66.9	-171.9	176.4	173	0	111	L158 V165 S166 K167 I173 L174	L158-K170 HydrophobicContact CD1-CD 4.21Å; L158-K170 HydrophobicContact CD1-CG 3.74Å; L158-K170 HydrophobicContact CD2-CB 4.46Å; L158-K170 HydrophobicContact CD2-CG 4.46Å; V165-K170 HydrophobicContact CB-CG 3.91Å; V165-K170 HydrophobicContact CG1-CG 3.58Å; V165-K170 WeakPolarHBondContact O-CE 3.46Å; S166-K170 WeakPolarHBondContact O-CG 3.19Å; S166-K170 PolarHBondContact O-N 2.95Å; K167-K170 PolarHBondContact O-N 3.07Å; K170-I173 PolarHBondContact O-N 3.43Å; K170-L174 WeakPolarHBondContact O-CB 3.45Å; K170-L174 VanDerWaalsContact O-CG 3.26Å; K170-L174 WeakPolarHBondContact O-CG 3.4Å; K170-L174 PolarHBondContact O-N 3.48Å
171	R	88.4	Confident	85.5	Confident	166 Å²	166	63.4 Å²	63.4	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-60.8	-47.7	176.8	-178.3	177.6	179.7	171.2	1	111.2	K167 G168 M169 I173 L174 Q175	K167-R171 WeakPolarHBondContact O-CB 3.32Å; K167-R171 PolarHBondContact O-N 3.09Å; G168-R171 PolarHBondContact O-N 3.06Å; M169-R171 VanDerWaalsContact C-N 3.27Å; M169-R171 PolarHBondContact O-N 3.33Å; R171-I173 PolarHBondContact O-N 2.99Å; R171-L174 PolarHBondContact O-N 3.33Å; R171-Q175 HydrophobicContact CG-CG 4.17Å; R171-Q175 VanDerWaalsContact NE-NE2 3.12Å; R171-Q175 VanDerWaalsContact O-CB 3.26Å; R171-Q175 WeakPolarHBondContact O-CB 3.29Å; R171-Q175 WeakPolarHBondContact O-CG 3.34Å; R171-Q175 PolarHBondContact O-N 3.36Å
172	K	88.7	Confident	85.8	Confident	61 Å²	61	65.1 Å²	65.1	27%	0.265	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-45.4	179.6	-173.8	177.4	177.7	-178.9	0	112	G168 M169 Q175 D176 L179 L251	G168-K172 PolarHBondContact O-N 2.92Å; M169-K172 PolarHBondContact O-N 3.12Å; M169-K172 VanDerWaalsContact O-N 3.14Å; K172-Q175 PolarHBondContact O-N 3.28Å; K172-D176 WeakPolarHBondContact O-CB 3.5Å; K172-D176 PolarHBondContact O-N 3.29Å; K172-L179 HydrophobicContact CG-CD2 4.26Å; K172-L251 HydrophobicContact CD-CD2 4.12Å
173	I	88.8	Confident	86.2	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-45.5	179.6	-65.6	162.8	0	0	0	111.1	L158 I161 V165 M169 K170 R171 Q175 D176 L179 L180 I183	L158-I173 HydrophobicContact CD2-CB 4.31Å; L158-I173 HydrophobicContact CD2-CG2 4.09Å; I161-I173 HydrophobicContact CD1-CD1 3.34Å; V165-I173 HydrophobicContact CG1-CD1 4.4Å; M169-I173 HydrophobicContact CG-CD1 3.81Å; M169-I173 HydrophobicContact CG-CG1 4.46Å; M169-I173 WeakPolarHBondContact O-CG1 3.29Å; M169-I173 PolarHBondContact O-N 3.04Å; M169-I173 HydrophobicContact SD-CD1 4.48Å; K170-I173 PolarHBondContact O-N 3.43Å; R171-I173 PolarHBondContact O-N 2.99Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.3Å; I173-D176 CarbonylContact O-C 3.5Å; I173-D176 PolarHBondContact O-N 3.16Å; I173-D176 VanDerWaalsContact O-O 3.12Å; I173-L179 HydrophobicContact CG1-CD2 3.9Å; I173-L179 HydrophobicContact CG1-CG 4.4Å; I173-L180 HydrophobicContact CG2-CB 4.06Å; I173-L180 HydrophobicContact CG2-CD1 3.77Å; I173-L180 HydrophobicContact CG2-CG 4.47Å; I173-I183 HydrophobicContact CD1-CD1 4.01Å; I173-I183 HydrophobicContact CG1-CD1 3.85Å; I173-I183 HydrophobicContact CG2-CD1 3.9Å
174	L	88.1	Confident	86.5	Confident	109 Å²	109	65.1 Å²	65.1	57%	0.571	34%	0.341	S	S	*	.	H	α-helix	trans	-69.4	-27.9	-179.8	-68.8	171.3	0	0	0	112.8	L158 K170 R171	L158-L174 HydrophobicContact CD2-CD2 4.26Å; L158-L174 HydrophobicContact CD2-CG 4.09Å; K170-L174 WeakPolarHBondContact O-CB 3.45Å; K170-L174 VanDerWaalsContact O-CG 3.26Å; K170-L174 WeakPolarHBondContact O-CG 3.4Å; K170-L174 PolarHBondContact O-N 3.48Å; R171-L174 PolarHBondContact O-N 3.33Å
175	Q	91.2	Very high	87	Confident	130 Å²	130	65.5 Å²	65.5	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-83.6	-20.3	177.3	-73.8	-178.1	-29.6	0	0	113.9	R171 K172 I173 P177	R171-Q175 HydrophobicContact CG-CG 4.17Å; R171-Q175 VanDerWaalsContact NE-NE2 3.12Å; R171-Q175 VanDerWaalsContact O-CB 3.26Å; R171-Q175 WeakPolarHBondContact O-CB 3.29Å; R171-Q175 WeakPolarHBondContact O-CG 3.34Å; R171-Q175 PolarHBondContact O-N 3.36Å; K172-Q175 PolarHBondContact O-N 3.28Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.3Å; Q175-P177 VanDerWaalsContact O-CD 3.31Å; Q175-P177 WeakPolarHBondContact O-CD 3.49Å
176	D	90.3	Very high	87.2	Confident	25 Å²	25	65.5 Å²	65.5	13%	0.134	34%	0.336	C	S	.	.			trans	-113.6	87.7	178	-177.6	-8.5	0	0	0	109.1	K172 I173 A178 L179 L180 K254 R258	K172-D176 WeakPolarHBondContact O-CB 3.5Å; K172-D176 PolarHBondContact O-N 3.29Å; I173-D176 CarbonylContact O-C 3.5Å; I173-D176 PolarHBondContact O-N 3.16Å; I173-D176 VanDerWaalsContact O-O 3.12Å; D176-A178 PolarHBondContact O-N 2.98Å; D176-A178 VanDerWaalsContact O-N 3.15Å; D176-A178 WeakPolarHBondContact OD1-CB 3.26Å; D176-A178 PolarHBondContact OD1-N 3.19Å; D176-L179 HydrophobicContact CB-CB 3.82Å; D176-L179 VanDerWaalsContact CG-CB 3.48Å; D176-L179 WeakPolarHBondContact O-CA 3.42Å; D176-L179 WeakPolarHBondContact O-CB 3.26Å; D176-L179 PolarHBondContact O-N 3.29Å; D176-L179 PolarHBondContact OD1-N 3.39Å; D176-L179 WeakPolarHBondContact OD2-CB 3.48Å; D176-L180 PolarHBondContact O-N 3.07Å; D176-L180 VanDerWaalsContact O-N 3.09Å; D176-K254 IonicContact OD1-NZ 3.69Å; D176-K254 PolarHBondContact OD1-NZ 3.34Å; D176-K254 IonicContact OD2-NZ 3.89Å; D176-K254 PolarHBondContact OD2-NZ 3.03Å; D176-R258 IonicContact OD2-NH2 3.57Å
177	P	90	Very high	86.9	Confident	94 Å²	94	64.3 Å²	64.3	61%	0.61	32%	0.322	S	S	*	.	H	α-helix	trans	-55.3	-32.1	178.9	-26.3	34.2	0	0	0	113.3	Q175 L179 L180 E181	Q175-P177 VanDerWaalsContact O-CD 3.31Å; Q175-P177 WeakPolarHBondContact O-CD 3.49Å; P177-L179 VanDerWaalsContact C-N 3.34Å; P177-L180 PolarHBondContact O-N 3.25Å; P177-E181 WeakPolarHBondContact O-CB 3.31Å; P177-E181 PolarHBondContact O-N 3.09Å
178	A	89.2	Confident	86.6	Confident	63 Å²	63	63.7 Å²	63.7	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-69.5	-32.6	177.2	0	0	0	0	0	112	D176 E182	D176-A178 PolarHBondContact O-N 2.98Å; D176-A178 VanDerWaalsContact O-N 3.15Å; D176-A178 WeakPolarHBondContact OD1-CB 3.26Å; D176-A178 PolarHBondContact OD1-N 3.19Å; A178-E182 WeakPolarHBondContact O-CB 3.21Å; A178-E182 PolarHBondContact O-N 3.43Å; A178-E182 VanDerWaalsContact O-N 3.09Å
179	L	87.7	Confident	86.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.6	-43.2	171.7	177	62	0	0	0	110.8	K172 I173 D176 P177 E181 E182 I183 L250 L251 K254	K172-L179 HydrophobicContact CG-CD2 4.26Å; I173-L179 HydrophobicContact CG1-CD2 3.9Å; I173-L179 HydrophobicContact CG1-CG 4.4Å; D176-L179 HydrophobicContact CB-CB 3.82Å; D176-L179 VanDerWaalsContact CG-CB 3.48Å; D176-L179 WeakPolarHBondContact O-CA 3.42Å; D176-L179 WeakPolarHBondContact O-CB 3.26Å; D176-L179 PolarHBondContact O-N 3.29Å; D176-L179 PolarHBondContact OD1-N 3.39Å; D176-L179 WeakPolarHBondContact OD2-CB 3.48Å; P177-L179 VanDerWaalsContact C-N 3.34Å; L179-E181 VanDerWaalsContact C-N 3.3Å; L179-E181 PolarHBondContact O-N 2.88Å; L179-E182 PolarHBondContact O-N 2.98Å; L179-I183 HydrophobicContact CD1-CD1 4.09Å; L179-I183 HydrophobicContact CD1-CG1 4.35Å; L179-I183 HydrophobicContact CG-CD1 3.83Å; L179-I183 VanDerWaalsContact O-CD1 3.31Å; L179-I183 WeakPolarHBondContact O-CD1 3.44Å; L179-I183 WeakPolarHBondContact O-CG1 3.3Å; L179-I183 PolarHBondContact O-N 3.5Å; L179-L250 HydrophobicContact CD1-CD2 3.99Å; L179-L250 HydrophobicContact CD1-CG 4.31Å; L179-L251 HydrophobicContact CD1-CD2 4Å; L179-L251 HydrophobicContact CD2-CD2 3.59Å; L179-L251 HydrophobicContact CG-CD2 4.45Å; L179-K254 VanDerWaalsContact CA-NZ 3.34Å; L179-K254 HydrophobicContact CD1-CD 4.34Å
180	L	88	Confident	85.5	Confident	33 Å²	33	65.7 Å²	65.7	17%	0.173	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-41.9	177	178.9	61.6	0	0	0	111.7	I173 D176 P177 I183 K184	I173-L180 HydrophobicContact CG2-CB 4.06Å; I173-L180 HydrophobicContact CG2-CD1 3.77Å; I173-L180 HydrophobicContact CG2-CG 4.47Å; D176-L180 PolarHBondContact O-N 3.07Å; D176-L180 VanDerWaalsContact O-N 3.09Å; P177-L180 PolarHBondContact O-N 3.25Å; L180-I183 PolarHBondContact O-N 2.88Å; L180-K184 WeakPolarHBondContact O-CG 3.37Å; L180-K184 PolarHBondContact O-N 3.09Å; L180-K184 VanDerWaalsContact O-N 3.09Å
181	E	88.3	Confident	84.2	Confident	85 Å²	85	69.3 Å²	69.3	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-68	-41.8	178.4	-163.1	60	-161.6	0	0	111.9	P177 L179 I183 K184 R185	P177-E181 WeakPolarHBondContact O-CB 3.31Å; P177-E181 PolarHBondContact O-N 3.09Å; L179-E181 VanDerWaalsContact C-N 3.3Å; L179-E181 PolarHBondContact O-N 2.88Å; E181-I183 VanDerWaalsContact C-N 3.32Å; E181-I183 PolarHBondContact O-N 3.39Å; E181-K184 WeakPolarHBondContact O-CB 3.48Å; E181-K184 PolarHBondContact O-N 3.17Å; E181-K184 VanDerWaalsContact O-N 3.17Å; E181-K184 IonicContact OE2-NZ 2.67Å; E181-K184 PolarHBondContact OE2-NZ 3.41Å; E181-R185 WeakPolarHBondContact O-CG 3.36Å; E181-R185 PolarHBondContact O-N 3.08Å
182	E	87.5	Confident	82.7	Confident	39 Å²	39	63.3 Å²	63.3	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-43.6	173.4	-172.3	65.4	-171.6	0	0	111.8	A178 L179 K184 R185 L186 L250	A178-E182 WeakPolarHBondContact O-CB 3.21Å; A178-E182 PolarHBondContact O-N 3.43Å; A178-E182 VanDerWaalsContact O-N 3.09Å; L179-E182 PolarHBondContact O-N 2.98Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.04Å; E182-R185 PolarHBondContact O-N 3.27Å; E182-L186 HydrophobicContact CG-CD1 4.19Å; E182-L186 VanDerWaalsContact O-CG 3.26Å; E182-L186 WeakPolarHBondContact O-CG 3.31Å; E182-L186 PolarHBondContact O-N 2.86Å; E182-L250 HydrophobicContact CG-CD1 3.84Å; E182-L250 HydrophobicContact CG-CD2 4.37Å
183	I	85.8	Confident	81	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-43.7	175.8	-71.4	158.3	0	0	0	111.1	L158 I161 I173 L179 L180 E181 L186 E187 F245 L247 L250	L158-I183 WeakPolarHBondContact O-CG2 3.26Å; I161-I183 HydrophobicContact CD1-CD1 3.86Å; I161-I183 HydrophobicContact CD1-CG1 4.46Å; I161-I183 HydrophobicContact CD1-CG2 4.07Å; I161-I183 HydrophobicContact CG1-CG2 3.69Å; I173-I183 HydrophobicContact CD1-CD1 4.01Å; I173-I183 HydrophobicContact CG1-CD1 3.85Å; I173-I183 HydrophobicContact CG2-CD1 3.9Å; L179-I183 HydrophobicContact CD1-CD1 4.09Å; L179-I183 HydrophobicContact CD1-CG1 4.35Å; L179-I183 HydrophobicContact CG-CD1 3.83Å; L179-I183 VanDerWaalsContact O-CD1 3.31Å; L179-I183 WeakPolarHBondContact O-CD1 3.44Å; L179-I183 WeakPolarHBondContact O-CG1 3.3Å; L179-I183 PolarHBondContact O-N 3.5Å; L180-I183 PolarHBondContact O-N 2.88Å; E181-I183 VanDerWaalsContact C-N 3.32Å; E181-I183 PolarHBondContact O-N 3.39Å; I183-L186 PolarHBondContact O-N 3.18Å; I183-E187 WeakPolarHBondContact O-CG 3.41Å; I183-E187 PolarHBondContact O-N 2.87Å; I183-F245 HydrophobicContact CG1-CE2 4.45Å; I183-F245 HydrophobicContact CG2-CZ 4.07Å; I183-L247 HydrophobicContact CD1-CD2 4.29Å; I183-L247 HydrophobicContact CG1-CD2 4.26Å; I183-L250 HydrophobicContact CG1-CD2 3.86Å
184	K	85.7	Confident	79.1	Confident	78 Å²	78	71 Å²	71	34%	0.339	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-43.7	178.6	-71.3	179.1	-161.1	158	0	112	L180 E181 E182 L186 E187 Q188	L180-K184 WeakPolarHBondContact O-CG 3.37Å; L180-K184 PolarHBondContact O-N 3.09Å; L180-K184 VanDerWaalsContact O-N 3.09Å; E181-K184 WeakPolarHBondContact O-CB 3.48Å; E181-K184 PolarHBondContact O-N 3.17Å; E181-K184 VanDerWaalsContact O-N 3.17Å; E181-K184 IonicContact OE2-NZ 2.67Å; E181-K184 PolarHBondContact OE2-NZ 3.41Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.04Å; K184-L186 VanDerWaalsContact C-N 3.34Å; K184-E187 PolarHBondContact O-N 2.91Å; K184-Q188 WeakPolarHBondContact O-CG 3.13Å; K184-Q188 PolarHBondContact O-N 3.37Å
185	R	85.4	Confident	76.6	Confident	104 Å²	104	71.4 Å²	71.4	39%	0.392	40%	0.397	S	S	.	.	H	α-helix	trans	-59.2	-47.1	178.1	-70.8	-174.4	175.7	174	-6.2	111.3	E181 E182 E187 Q188 G189 E190	E181-R185 WeakPolarHBondContact O-CG 3.36Å; E181-R185 PolarHBondContact O-N 3.08Å; E182-R185 PolarHBondContact O-N 3.27Å; R185-E187 PolarHBondContact O-N 3.14Å; R185-Q188 WeakPolarHBondContact O-CB 3.35Å; R185-Q188 PolarHBondContact O-N 3.34Å; R185-Q188 VanDerWaalsContact O-N 3.16Å; R185-G189 PolarHBondContact O-N 3.05Å; R185-E190 HydrophobicContact CB-CB 4.2Å; R185-E190 WeakPolarHBondContact CB-OE2 3.29Å; R185-E190 VanDerWaalsContact CD-OE2 3.31Å; R185-E190 WeakPolarHBondContact CD-OE2 3.43Å; R185-E190 WeakPolarHBondContact CG-OE2 3.34Å; R185-E190 IonicContact NE-OE2 2.87Å; R185-E190 WeakPolarHBondContact O-CB 3.27Å; R185-E190 PolarHBondContact O-N 3.32Å
186	L	83.9	Confident	73.9	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-64.9	-40	179	-61.7	170.7	0	0	0	112.1	E182 I183 K184 Q188 G189 P244 F245 L250	E182-L186 HydrophobicContact CG-CD1 4.19Å; E182-L186 VanDerWaalsContact O-CG 3.26Å; E182-L186 WeakPolarHBondContact O-CG 3.31Å; E182-L186 PolarHBondContact O-N 2.86Å; I183-L186 PolarHBondContact O-N 3.18Å; K184-L186 VanDerWaalsContact C-N 3.34Å; L186-Q188 VanDerWaalsContact C-N 3.28Å; L186-Q188 PolarHBondContact O-N 3.02Å; L186-G189 PolarHBondContact O-N 3.45Å; L186-P244 WeakPolarHBondContact O-CG 3.36Å; L186-F245 HydrophobicContact CB-CD1 3.26Å; L186-F245 HydrophobicContact CB-CD2 4.38Å; L186-F245 HydrophobicContact CB-CE1 3.36Å; L186-F245 HydrophobicContact CB-CE2 4.44Å; L186-F245 HydrophobicContact CB-CG 3.82Å; L186-F245 HydrophobicContact CB-CZ 3.98Å; L186-F245 HydrophobicContact CD1-CB 4.15Å; L186-F245 HydrophobicContact CD1-CD1 4.02Å; L186-F245 HydrophobicContact CD1-CD2 3.65Å; L186-F245 HydrophobicContact CD1-CE1 4.35Å; L186-F245 HydrophobicContact CD1-CE2 3.98Å; L186-F245 HydrophobicContact CD1-CG 3.66Å; L186-F245 HydrophobicContact CD1-CZ 4.33Å; L186-F245 HydrophobicContact CG-CD1 4.21Å; L186-F245 HydrophobicContact CG-CE1 4.49Å; L186-F245 HydrophobicContact CG-CG 4.3Å; L186-L250 HydrophobicContact CD1-CD1 3.8Å; L186-L250 HydrophobicContact CD1-CD2 3.75Å; L186-L250 HydrophobicContact CD1-CG 4.33Å
187	E	76.2	Confident	71.2	Confident	45 Å²	45	75.1 Å²	75.1	21%	0.21	43%	0.427	C	S	.	.	H	α-helix	trans	-65.5	-29.6	174.2	-75.7	-69.4	145.9	0	0	112.8	G159 I183 K184 R185 G189 F245	G159-E187 VanDerWaalsContact O-CG 3.29Å; G159-E187 WeakPolarHBondContact O-CG 3.14Å; I183-E187 WeakPolarHBondContact O-CG 3.41Å; I183-E187 PolarHBondContact O-N 2.87Å; K184-E187 PolarHBondContact O-N 2.91Å; R185-E187 PolarHBondContact O-N 3.14Å; E187-G189 PolarHBondContact O-N 2.96Å; E187-F245 HydrophobicContact CG-CE1 3.84Å; E187-F245 HydrophobicContact CG-CZ 4.16Å; E187-F245 WeakPolarHBondContact OE1-CE1 3.36Å
188	Q	78.3	Confident	68.7	Low	145 Å²	145	77 Å²	77	68%	0.678	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.4	172.3	-71.4	174	-6	0	0	113.2	K184 R185 L186 E190	K184-Q188 WeakPolarHBondContact O-CG 3.13Å; K184-Q188 PolarHBondContact O-N 3.37Å; R185-Q188 WeakPolarHBondContact O-CB 3.35Å; R185-Q188 PolarHBondContact O-N 3.34Å; R185-Q188 VanDerWaalsContact O-N 3.16Å; L186-Q188 VanDerWaalsContact C-N 3.28Å; L186-Q188 PolarHBondContact O-N 3.02Å; Q188-E190 VanDerWaalsContact C-N 3.32Å
189	G	74.2	Confident	66.1	Low	55 Å²	55	79.7 Å²	79.7	57%	0.567	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	14.6	-178	0	0	0	0	0	113.7	R185 L186 E187	R185-G189 PolarHBondContact O-N 3.05Å; L186-G189 PolarHBondContact O-N 3.45Å; E187-G189 PolarHBondContact O-N 2.96Å
190	E	72.3	Confident	63.6	Low	92 Å²	92	86 Å²	86	43%	0.43	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-66.1	134.1	170.8	-64.2	-169.4	161	0	0	109.1	R185 Q188 S192	R185-E190 HydrophobicContact CB-CB 4.2Å; R185-E190 WeakPolarHBondContact CB-OE2 3.29Å; R185-E190 VanDerWaalsContact CD-OE2 3.31Å; R185-E190 WeakPolarHBondContact CD-OE2 3.43Å; R185-E190 WeakPolarHBondContact CG-OE2 3.34Å; R185-E190 IonicContact NE-OE2 2.87Å; R185-E190 WeakPolarHBondContact O-CB 3.27Å; R185-E190 PolarHBondContact O-N 3.32Å; Q188-E190 VanDerWaalsContact C-N 3.32Å; E190-S192 PolarHBondContact O-N 3.17Å
191	P	61.4	Low	60.9	Low	117 Å²	117	87.5 Å²	87.5	76%	0.76	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-59.4	126.6	174.8	25.3	-32	0	0	0	108.1	N193	P191-N193 PolarHBondContact O-N 3.09Å
192	S	56.9	Low	58.2	Low	39 Å²	39	90.7 Å²	90.7	27%	0.273	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-49.3	141.5	166.2	54	0	0	0	0	108.5	E190 L194	E190-S192 PolarHBondContact O-N 3.17Å; S192-L194 PolarHBondContact O-N 3.34Å; S192-L194 WeakPolarHBondContact OG-CB 3.39Å
193	N	53.1	Low	55.9	Low	134 Å²	134	97.3 Å²	97.3	72%	0.717	56%	0.561	S	S	*	*	S	Bend	trans	-67.3	30.8	163.9	-70.6	-44.7	0	0	0	112	P191	P191-N193 PolarHBondContact O-N 3.09Å
194	L	48.4	Very low	53.2	Low	90 Å²	90	106.1 Å²	106.1	47%	0.471	60%	0.603	S	S	.	*			trans	-108.4	72.5	168.2	-70.8	153.1	0	0	0	106.5	S192	S192-L194 PolarHBondContact O-N 3.34Å; S192-L194 WeakPolarHBondContact OG-CB 3.39Å
195	C	36.1	Very low	51	Low	118 Å²	118	108.5 Å²	108.5	80%	0.797	62%	0.624	S	S	*	*			trans	-142.4	127.5	167	-174.7	0	0	0	0	102.9
196	S	33.6	Very low	48.4	Very low	88 Å²	88	108.2 Å²	108.2	62%	0.615	63%	0.633	S	S	*	*	S	Bend	cis	-145.5	178	15.2	50.4	0	0	0	0	108
197	D	33.6	Very low	46.4	Very low	144 Å²	144	114.1 Å²	114.1	77%	0.77	67%	0.665	S	S	*	*			trans	102.8	64.5	162.1	-43.7	-18.9	0	0	0	116.2
198	V	36.6	Very low	44.8	Very low	134 Å²	134	121.4 Å²	121.4	81%	0.812	70%	0.696	S	S	*	*			trans	-130.9	119.1	136.7	-170.5	0	0	0	0	107.4	V200	V198-V200 PolarHBondContact O-N 3.43Å
199	P	35.2	Very low	43.1	Very low	119 Å²	119	119.8 Å²	119.8	77%	0.773	71%	0.708	S	S	*	*			trans	-64.2	129.9	176.6	25.5	-29.2	0	0	0	108.9	G201	P199-G201 VanDerWaalsContact C-N 3.28Å; P199-G201 PolarHBondContact O-N 3.46Å
200	V	34.9	Very low	41.4	Very low	133 Å²	133	121.1 Å²	121.1	81%	0.806	72%	0.721	S	S	*	*			trans	-61.6	95.2	167.3	176	0	0	0	0	106.8	V198	V198-V200 PolarHBondContact O-N 3.43Å
201	G	32.2	Very low	39.6	Very low	64 Å²	64	120.7 Å²	120.7	66%	0.66	74%	0.742	S	S	*	*			trans	-82.1	107.6	166.3	0	0	0	0	0	108.1	P199 Q203	P199-G201 VanDerWaalsContact C-N 3.28Å; P199-G201 PolarHBondContact O-N 3.46Å; G201-Q203 PolarHBondContact O-N 2.93Å
202	D	31.3	Very low	38.6	Very low	153 Å²	153	124.8 Å²	124.8	82%	0.818	75%	0.747	S	S	*	*			trans	-57.9	104.9	168.2	-68.2	-37.5	0	0	0	109.1
203	Q	39.5	Very low	37.9	Very low	177 Å²	177	130.8 Å²	130.8	83%	0.827	78%	0.775	S	S	*	*			trans	-126.1	99.4	160.6	-79.6	-168.6	19.2	0	0	110.1	G201 V205	G201-Q203 PolarHBondContact O-N 2.93Å; Q203-V205 PolarHBondContact O-N 3.44Å
204	E	29.5	Very low	37.3	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.864	78%	0.777	S	S	*	*			trans	-54.4	106.6	162.9	-166.8	178	-157.6	0	0	109.9
205	V	38.4	Very low	37.4	Very low	129 Å²	129	135.7 Å²	135.7	78%	0.782	80%	0.796	S	S	*	*			trans	-115.3	99.8	168.5	-173.1	0	0	0	0	108.7	Q203	Q203-V205 PolarHBondContact O-N 3.44Å
206	T	31.7	Very low	37.6	Very low	97 Å²	97	141.7 Å²	141.7	60%	0.595	80%	0.802	S	S	*	*			trans	-69.7	146.7	167.1	56.4	0	0	0	0	110.4
207	N	41	Very low	37.7	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	81%	0.805	S	S	*	*			trans	159.9	100.7	144.3	-77.9	-31.6	0	0	0	108.5
208	K	41.6	Very low	38.3	Very low	198 Å²	198	145 Å²	145	86%	0.861	81%	0.814	S	S	*	*				75.8	133.1	84	-80.7	-172.9	179.8	173.2	0	114.5
209	A	43	Very low	38.6	Very low	112 Å²	112	148.7 Å²	148.7	93%	0.926	81%	0.813	S	S	*	*			trans	80.8	125.6	178.1	0	0	0	0	0	114.9
210	G	38.5	Very low	39	Very low	83 Å²	83	150.9 Å²	150.9	86%	0.856	81%	0.81	S	S	*	*			cis	165.5	142.9	6.1	0	0	0	0	0	107.2
211	G	35.1	Very low	39.4	Very low	83 Å²	83	155.9 Å²	155.9	86%	0.856	81%	0.814	S	S	*	*			trans	143.8	89.5	172.9	0	0	0	0	0	114.6
212	K	40.3	Very low	39.6	Very low	202 Å²	202	157.8 Å²	157.8	88%	0.878	82%	0.818	S	S	*	*			trans	-70.4	130.4	173.8	-72.8	171.7	175	173.3	0	111.4
213	I	42.3	Very low	40.1	Very low	166 Å²	166	159.6 Å²	159.6	85%	0.851	82%	0.821	S	S	*	*			trans	-140.1	114.4	142.7	-60.6	-176.6	0	0	0	108.5
214	V	41.5	Very low	40.1	Very low	124 Å²	124	155.6 Å²	155.6	75%	0.752	82%	0.818	S	S	*	*			trans	-104.1	123.7	171.1	174.1	0	0	0	0	107.4
215	K	49	Very low	41.2	Very low	203 Å²	203	155 Å²	155	88%	0.883	82%	0.82	S	S	*	*			trans	-138.5	144	152.4	-78.8	-164.7	179	174	0	111.2
216	R	40.1	Very low	41.4	Very low	244 Å²	244	156.7 Å²	156.7	92%	0.921	82%	0.818	S	S	*	*			trans	-77.5	159.5	-156.8	-76.2	164.4	140.5	172	-8.4	114.6
217	S	37.4	Very low	41.9	Very low	98 Å²	98	157.4 Å²	157.4	69%	0.685	82%	0.823	S	S	*	*			trans	-53.9	152.1	171.3	61.7	0	0	0	0	115.6
218	H	45.5	Very low	42.2	Very low	204 Å²	204	157.1 Å²	157.1	94%	0.944	83%	0.825	S	S	*	*			trans	-137.8	139.5	133	-86	-25.4	0	0	0	111.1
219	R	42.8	Very low	42.5	Very low	211 Å²	211	155.5 Å²	155.5	80%	0.796	82%	0.821	S	S	*	*			trans	-109	142.7	-172.4	-141.6	-165.1	174.6	177.6	0.3	108.5
220	K	43.7	Very low	42.5	Very low	164 Å²	164	159.3 Å²	159.3	71%	0.713	82%	0.817	S	S	*	*			trans	69.8	124.1	155.2	-59.9	-172.8	177.1	-175.4	0	118.9
221	R	42.6	Very low	42.7	Very low	238 Å²	238	163 Å²	163	90%	0.898	81%	0.811	S	S	*	*				-160.9	130.9	104.5	-117.6	173.8	162	-179.3	-6.4	111.6
222	S	37.6	Very low	43.2	Very low	104 Å²	104	163.7 Å²	163.7	73%	0.727	79%	0.792	S	S	*	*			trans	-82.7	138.2	171.8	46	0	0	0	0	110.7
223	H	41.7	Very low	43.2	Very low	191 Å²	191	156 Å²	156	88%	0.884	77%	0.767	S	S	*	*			trans	-148.1	137.9	146.3	-89.3	-29.3	0	0	0	110.2
224	A	39.7	Very low	43.3	Very low	94 Å²	94	154.1 Å²	154.1	78%	0.777	76%	0.758	S	S	*	*			trans	-80.2	141.2	-176.3	0	0	0	0	0	111.2
225	I	51.6	Low	43.6	Very low	173 Å²	173	154.1 Å²	154.1	89%	0.887	75%	0.748	S	S	*	*			trans	-142.6	131.9	144.2	-59.6	-173.2	0	0	0	108.2
226	H	43.3	Very low	43.4	Very low	164 Å²	164	148.5 Å²	148.5	76%	0.759	73%	0.728	S	S	*	*			trans	-70.1	161.5	-175	-132.9	-84.7	0	0	0	112.6
227	T	41.6	Very low	43.4	Very low	111 Å²	111	143.1 Å²	143.1	68%	0.681	71%	0.711	S	S	*	*			trans	68.7	91.5	153.6	44.6	0	0	0	0	119.3
228	V	48.3	Very low	44	Very low	132 Å²	132	141.2 Å²	141.2	80%	0.8	70%	0.698	S	S	*	*				-171.6	53.4	118.2	-170.3	0	0	0	0	108
229	E	46.5	Very low	44.1	Very low	164 Å²	164	132.6 Å²	132.6	77%	0.766	66%	0.662	S	S	*	*			trans	-101.3	-1.3	-161.1	-76.4	-174	147.1	0	0	117.1
230	K	43.3	Very low	44.4	Very low	192 Å²	192	129.5 Å²	129.5	84%	0.835	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-22.7	-175.9	-85.8	-172.9	174.6	-178.9	0	116.5
231	H	42.4	Very low	44.7	Very low	160 Å²	160	128.9 Å²	128.9	74%	0.741	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-17.6	177.3	-73.3	-69	0	0	0	114
232	Q	45.9	Very low	45.2	Very low	98 Å²	98	122.6 Å²	122.6	46%	0.458	65%	0.645	S	S	.	*	H	α-helix	trans	-77.8	-34.7	175.4	-155.3	70	22.3	0	0	111.5	D234 K235 D236	Q232-D234 PolarHBondContact O-N 3.47Å; Q232-K235 PolarHBondContact O-N 3.06Å; Q232-K235 VanDerWaalsContact O-N 3.16Å; Q232-D236 WeakPolarHBondContact CG-OD2 3.26Å; Q232-D236 WeakPolarHBondContact O-CB 3.19Å; Q232-D236 PolarHBondContact O-N 3.44Å
233	A	40.9	Very low	46.2	Very low	42 Å²	42	119.8 Å²	119.8	35%	0.347	62%	0.624	S	S	.	*	H	α-helix	trans	-61	-38	-177	0	0	0	0	0	113.5	F237	A233-F237 VanDerWaalsContact O-CB 3.29Å; A233-F237 WeakPolarHBondContact O-CB 3.5Å; A233-F237 PolarHBondContact O-N 3.37Å
234	D	44.5	Very low	47.2	Very low	125 Å²	125	115.1 Å²	115.1	67%	0.668	61%	0.61	S	S	*	*	H	α-helix	trans	-73.4	-31.5	178.1	-72.7	-21.3	0	0	0	112.6	Q232	Q232-D234 PolarHBondContact O-N 3.47Å
235	K	47.2	Very low	48.6	Very low	124 Å²	124	111.8 Å²	111.8	54%	0.539	58%	0.579	S	S	.	*	H	α-helix	trans	-73.2	-38	174.8	-70.3	-173.8	176.7	-175.1	0	111.4	Q232	Q232-K235 PolarHBondContact O-N 3.06Å; Q232-K235 VanDerWaalsContact O-N 3.16Å
236	D	43.7	Very low	49.5	Very low	86 Å²	86	107.4 Å²	107.4	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-76.3	-29.4	178.6	-69.2	-22.1	0	0	0	112.9	Q232 S238 A239	Q232-D236 WeakPolarHBondContact CG-OD2 3.26Å; Q232-D236 WeakPolarHBondContact O-CB 3.19Å; Q232-D236 PolarHBondContact O-N 3.44Å; D236-S238 VanDerWaalsContact C-N 3.28Å; D236-S238 PolarHBondContact O-N 2.91Å; D236-A239 PolarHBondContact O-N 3.43Å
237	F	40.5	Very low	50.8	Low	130 Å²	130	101.1 Å²	101.1	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-69.3	-22.3	-179.1	-115.9	-70.5	0	0	0	114.5	A233 R241	A233-F237 VanDerWaalsContact O-CB 3.29Å; A233-F237 WeakPolarHBondContact O-CB 3.5Å; A233-F237 PolarHBondContact O-N 3.37Å; F237-R241 VanDerWaalsContact CE1-NH2 3.31Å; F237-R241 PolarHBondContact O-NE 3Å; F237-R241 VanDerWaalsContact O-NE 3.08Å
238	S	49.9	Very low	52	Low	58 Å²	58	103.9 Å²	103.9	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-88.6	-33.2	175	-175.4	0	0	0	0	112	R162 D236 N240	R162-S238 PolarHBondContact NH1-O 2.72Å; R162-S238 PolarHBondContact NH2-O 3.02Å; R162-S238 VanDerWaalsContact NH2-O 3.14Å; R162-S238 PolarHBondContact NH2-OG 2.91Å; D236-S238 VanDerWaalsContact C-N 3.28Å; D236-S238 PolarHBondContact O-N 2.91Å; S238-N240 PolarHBondContact O-N 3.44Å
239	A	48.2	Very low	53.3	Low	23 Å²	23	103.7 Å²	103.7	19%	0.19	52%	0.517	C	S	.	.	H	α-helix	trans	-68.5	-26	-168	0	0	0	0	0	115.5	V152 D236	V152-A239 HydrophobicContact CG1-CB 3.45Å; V152-A239 VanDerWaalsContact CG1-CB 3.45Å; D236-A239 PolarHBondContact O-N 3.43Å
240	N	48.3	Very low	54.8	Low	146 Å²	146	96.3 Å²	96.3	78%	0.781	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	0.8	-173	-74.9	-38.6	0	0	0	115.5	S238	S238-N240 PolarHBondContact O-N 3.44Å
241	R	50.1	Low	56.2	Low	151 Å²	151	87.9 Å²	87.9	57%	0.57	45%	0.447	S	S	*	.	S	Bend	trans	-78.3	131.7	174.7	-62.3	-169.9	-154.4	-153.7	10.3	109.8	R162 F237	R162-R241 PolarHBondContact NH1-O 3.27Å; F237-R241 VanDerWaalsContact CE1-NH2 3.31Å; F237-R241 PolarHBondContact O-NE 3Å; F237-R241 VanDerWaalsContact O-NE 3.08Å
242	P	54.4	Low	58.1	Low	106 Å²	106	84.5 Å²	84.5	69%	0.688	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-56.1	149.1	164	25.8	-32.1	0	0	0	108.7
243	P	57.6	Low	59.7	Low	46 Å²	46	81 Å²	81	30%	0.299	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-52.5	141.9	175.7	23.2	-32.2	0	0	0	109.3	F245	P243-F245 PolarHBondContact O-N 2.96Å
244	P	64.1	Low	61.2	Low	92 Å²	92	81.1 Å²	81.1	60%	0.597	41%	0.41	S	S	*	.	S	Bend	trans	-65.6	-6.8	-173	23	-29	0	0	0	113.4	L186	L186-P244 WeakPolarHBondContact O-CG 3.36Å
245	F	67.4	Low	62.8	Low	25 Å²	25	82.7 Å²	82.7	11%	0.11	41%	0.407	C	S	.	.	S	Bend	trans	-138.6	147.6	177.7	62.2	-75.7	0	0	0	110.7	I183 L186 E187 P243 L247 L250	I183-F245 HydrophobicContact CG1-CE2 4.45Å; I183-F245 HydrophobicContact CG2-CZ 4.07Å; L186-F245 HydrophobicContact CB-CD1 3.26Å; L186-F245 HydrophobicContact CB-CD2 4.38Å; L186-F245 HydrophobicContact CB-CE1 3.36Å; L186-F245 HydrophobicContact CB-CE2 4.44Å; L186-F245 HydrophobicContact CB-CG 3.82Å; L186-F245 HydrophobicContact CB-CZ 3.98Å; L186-F245 HydrophobicContact CD1-CB 4.15Å; L186-F245 HydrophobicContact CD1-CD1 4.02Å; L186-F245 HydrophobicContact CD1-CD2 3.65Å; L186-F245 HydrophobicContact CD1-CE1 4.35Å; L186-F245 HydrophobicContact CD1-CE2 3.98Å; L186-F245 HydrophobicContact CD1-CG 3.66Å; L186-F245 HydrophobicContact CD1-CZ 4.33Å; L186-F245 HydrophobicContact CG-CD1 4.21Å; L186-F245 HydrophobicContact CG-CE1 4.49Å; L186-F245 HydrophobicContact CG-CG 4.3Å; E187-F245 HydrophobicContact CG-CE1 3.84Å; E187-F245 HydrophobicContact CG-CZ 4.16Å; E187-F245 WeakPolarHBondContact OE1-CE1 3.36Å; P243-F245 PolarHBondContact O-N 2.96Å; F245-L247 HydrophobicContact CD2-CG 4.34Å; F245-L247 HydrophobicContact CE2-CD2 3.87Å; F245-L247 HydrophobicContact CE2-CG 3.76Å; F245-L247 PolarHBondContact O-N 2.94Å; F245-L250 HydrophobicContact CD2-CB 4.48Å; F245-L250 HydrophobicContact CD2-CD2 4.13Å; F245-L250 HydrophobicContact CE2-CD2 3.96Å
246	D	71.7	Confident	64.1	Low	80 Å²	80	79.3 Å²	79.3	43%	0.428	40%	0.399	S	S	.	.			trans	-81.9	113.1	166.7	-176	-2.3	0	0	0	109.2	R248 Q249 L250	D246-R248 PolarHBondContact O-N 3.31Å; D246-R248 VanDerWaalsContact O-N 3.09Å; D246-R248 VanDerWaalsContact OD1-CB 3.26Å; D246-R248 WeakPolarHBondContact OD1-CB 3.48Å; D246-R248 PolarHBondContact OD1-N 3.45Å; D246-Q249 HydrophobicContact CB-CB 4.24Å; D246-Q249 HydrophobicContact CB-CG 3.93Å; D246-Q249 WeakPolarHBondContact O-CB 3.47Å; D246-Q249 PolarHBondContact O-N 3.15Å; D246-L250 PolarHBondContact O-N 3.36Å; D246-L250 VanDerWaalsContact O-N 3.08Å
247	L	69.3	Low	65.3	Low	33 Å²	33	81.9 Å²	81.9	17%	0.173	40%	0.402	C	S	.	.	H	α-helix	trans	-50.9	-32.8	173.8	-84.2	146.9	0	0	0	113	I161 I183 F245 L250 L251	I161-L247 HydrophobicContact CB-CD1 4.11Å; I161-L247 HydrophobicContact CD1-CD1 3.94Å; I161-L247 HydrophobicContact CD1-CD2 3.37Å; I161-L247 HydrophobicContact CD1-CG 4.27Å; I161-L247 HydrophobicContact CG1-CD1 3.75Å; I161-L247 HydrophobicContact CG1-CD2 3.8Å; I161-L247 HydrophobicContact CG1-CG 4.3Å; I161-L247 HydrophobicContact CG2-CD1 3.33Å; I183-L247 HydrophobicContact CD1-CD2 4.29Å; I183-L247 HydrophobicContact CG1-CD2 4.26Å; F245-L247 HydrophobicContact CD2-CG 4.34Å; F245-L247 HydrophobicContact CE2-CD2 3.87Å; F245-L247 HydrophobicContact CE2-CG 3.76Å; F245-L247 PolarHBondContact O-N 2.94Å; L247-L250 PolarHBondContact O-N 3.09Å; L247-L251 VanDerWaalsContact O-CD1 3.27Å; L247-L251 WeakPolarHBondContact O-CD1 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3.04Å; L247-L251 VanDerWaalsContact O-N 3.09Å
248	R	68.3	Low	66.7	Low	169 Å²	169	82.6 Å²	82.6	64%	0.638	40%	0.401	S	S	*	.	H	α-helix	trans	-65.7	-47.7	179	-171.7	177	172.5	-163.4	-0.3	110.8	D246 L250 L251 E252	D246-R248 PolarHBondContact O-N 3.31Å; D246-R248 VanDerWaalsContact O-N 3.09Å; D246-R248 VanDerWaalsContact OD1-CB 3.26Å; D246-R248 WeakPolarHBondContact OD1-CB 3.48Å; D246-R248 PolarHBondContact OD1-N 3.45Å; R248-L250 VanDerWaalsContact C-N 3.32Å; R248-L250 PolarHBondContact O-N 2.95Å; R248-L251 PolarHBondContact O-N 2.92Å; R248-E252 WeakPolarHBondContact CG-OE1 3.31Å; R248-E252 IonicContact CZ-OE1 2.97Å; R248-E252 IonicContact NE-OE1 3.75Å; R248-E252 PolarHBondContact NE-OE1 3.39Å; R248-E252 IonicContact NH2-OE1 3.34Å; R248-E252 PolarHBondContact NH2-OE1 3.23Å; R248-E252 WeakPolarHBondContact O-CG 3.46Å; R248-E252 PolarHBondContact O-N 3.4Å
249	Q	75.9	Confident	67.8	Low	127 Å²	127	85.9 Å²	85.9	59%	0.593	41%	0.41	S	S	*	.	H	α-helix	trans	-60.8	-41.2	175.9	-65.5	-178.3	7.4	0	0	111.6	D246 L251 E252 S253	D246-Q249 HydrophobicContact CB-CB 4.24Å; D246-Q249 HydrophobicContact CB-CG 3.93Å; D246-Q249 WeakPolarHBondContact O-CB 3.47Å; D246-Q249 PolarHBondContact O-N 3.15Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 2.72Å; Q249-E252 PolarHBondContact O-N 3.08Å; Q249-S253 WeakPolarHBondContact O-CB 3.38Å; Q249-S253 PolarHBondContact O-N 2.86Å; Q249-S253 PolarHBondContact O-OG 3.34Å
250	L	76.4	Confident	68.8	Low	10 Å²	10	91.4 Å²	91.4	5%	0.052	43%	0.432	C	S	.	.	H	α-helix	trans	-60.4	-37.8	176.7	-175.1	64.7	0	0	0	112.6	L179 E182 I183 L186 F245 D246 L247 R248 S253 K254	L179-L250 HydrophobicContact CD1-CD2 3.99Å; L179-L250 HydrophobicContact CD1-CG 4.31Å; E182-L250 HydrophobicContact CG-CD1 3.84Å; E182-L250 HydrophobicContact CG-CD2 4.37Å; I183-L250 HydrophobicContact CG1-CD2 3.86Å; L186-L250 HydrophobicContact CD1-CD1 3.8Å; L186-L250 HydrophobicContact CD1-CD2 3.75Å; L186-L250 HydrophobicContact CD1-CG 4.33Å; F245-L250 HydrophobicContact CD2-CB 4.48Å; F245-L250 HydrophobicContact CD2-CD2 4.13Å; F245-L250 HydrophobicContact CE2-CD2 3.96Å; D246-L250 PolarHBondContact O-N 3.36Å; D246-L250 VanDerWaalsContact O-N 3.08Å; L247-L250 PolarHBondContact O-N 3.09Å; R248-L250 VanDerWaalsContact C-N 3.32Å; R248-L250 PolarHBondContact O-N 2.95Å; L250-S253 PolarHBondContact O-OG 3.41Å; L250-K254 PolarHBondContact O-N 3.09Å
251	L	73.8	Confident	69.6	Low	14 Å²	14	93 Å²	93	7%	0.073	43%	0.432	C	S	.	.	H	α-helix	trans	-79.5	-32.8	-179.1	-66.7	164.6	0	0	0	112.6	M169 K172 L179 L247 R248 Q249 R255	M169-L251 HydrophobicContact CE-CD1 3.13Å; M169-L251 HydrophobicContact SD-CD1 3.29Å; M169-L251 WeakPolarHBondContact SD-CD1 3.49Å; M169-L251 HydrophobicContact SD-CD2 4.28Å; M169-L251 HydrophobicContact SD-CG 4.43Å; K172-L251 HydrophobicContact CD-CD2 4.12Å; L179-L251 HydrophobicContact CD1-CD2 4Å; L179-L251 HydrophobicContact CD2-CD2 3.59Å; L179-L251 HydrophobicContact CG-CD2 4.45Å; L247-L251 VanDerWaalsContact O-CD1 3.27Å; L247-L251 WeakPolarHBondContact O-CD1 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3.04Å; L247-L251 VanDerWaalsContact O-N 3.09Å; R248-L251 PolarHBondContact O-N 2.92Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 2.72Å; L251-R255 WeakPolarHBondContact O-CG 3.42Å; L251-R255 PolarHBondContact O-N 3.21Å
252	E	81.5	Confident	70.3	Confident	90 Å²	90	92.7 Å²	92.7	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-43.8	173.8	-73.9	170	-177.1	0	0	110.1	R248 Q249 K254 R255 S256	R248-E252 WeakPolarHBondContact CG-OE1 3.31Å; R248-E252 IonicContact CZ-OE1 2.97Å; R248-E252 IonicContact NE-OE1 3.75Å; R248-E252 PolarHBondContact NE-OE1 3.39Å; R248-E252 IonicContact NH2-OE1 3.34Å; R248-E252 PolarHBondContact NH2-OE1 3.23Å; R248-E252 WeakPolarHBondContact O-CG 3.46Å; R248-E252 PolarHBondContact O-N 3.4Å; Q249-E252 PolarHBondContact O-N 3.08Å; E252-K254 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-R255 WeakPolarHBondContact O-CB 3.44Å; E252-R255 PolarHBondContact O-N 3.02Å; E252-S256 PolarHBondContact O-N 3.2Å; E252-S256 VanDerWaalsContact O-N 3.08Å
253	S	79	Confident	70.3	Confident	25 Å²	25	97.4 Å²	97.4	18%	0.175	45%	0.454	C	S	.	.	H	α-helix	trans	-64.1	-33.5	175.9	73.4	0	0	0	0	113.4	Q249 L250 S256 R257	Q249-S253 WeakPolarHBondContact O-CB 3.38Å; Q249-S253 PolarHBondContact O-N 2.86Å; Q249-S253 PolarHBondContact O-OG 3.34Å; L250-S253 PolarHBondContact O-OG 3.41Å; S253-S256 PolarHBondContact O-OG 3Å; S253-R257 WeakPolarHBondContact O-CG 3.33Å; S253-R257 PolarHBondContact O-N 2.97Å
254	K	74.3	Confident	70.9	Confident	43 Å²	43	100 Å²	100	19%	0.187	46%	0.462	C	S	.	.	H	α-helix	trans	-70	-30.4	171.4	-86	-145.4	-177.1	-168.9	0	113.2	D176 L179 L250 E252 R258	D176-K254 IonicContact OD1-NZ 3.69Å; D176-K254 PolarHBondContact OD1-NZ 3.34Å; D176-K254 IonicContact OD2-NZ 3.89Å; D176-K254 PolarHBondContact OD2-NZ 3.03Å; L179-K254 VanDerWaalsContact CA-NZ 3.34Å; L179-K254 HydrophobicContact CD1-CD 4.34Å; L250-K254 PolarHBondContact O-N 3.09Å; E252-K254 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.36Å; K254-R258 PolarHBondContact O-N 3.42Å
255	R	76.4	Confident	71.3	Confident	159 Å²	159	100.4 Å²	100.4	60%	0.6	46%	0.455	S	S	*	.	H	α-helix	trans	-69.5	-48.6	176.8	-76.4	-179.9	-174.2	-139	2.5	110.4	L251 E252 R257 R258 E259	L251-R255 WeakPolarHBondContact O-CG 3.42Å; L251-R255 PolarHBondContact O-N 3.21Å; E252-R255 WeakPolarHBondContact O-CB 3.44Å; E252-R255 PolarHBondContact O-N 3.02Å; R255-R257 VanDerWaalsContact C-N 3.26Å; R255-R257 PolarHBondContact O-N 3.08Å; R255-R258 WeakPolarHBondContact O-CB 3.49Å; R255-R258 PolarHBondContact O-N 2.97Å; R255-E259 PolarHBondContact O-N 3.27Å; R255-E259 VanDerWaalsContact O-N 3.08Å
256	S	74.9	Confident	71.5	Confident	53 Å²	53	104.6 Å²	104.6	37%	0.371	47%	0.474	S	S	.	.	H	α-helix	trans	-61.1	-33.9	178.5	59.5	0	0	0	0	112.8	E252 S253 R258 E259 H260	E252-S256 PolarHBondContact O-N 3.2Å; E252-S256 VanDerWaalsContact O-N 3.08Å; S253-S256 PolarHBondContact O-OG 3Å; S256-R258 VanDerWaalsContact C-N 3.31Å; S256-R258 PolarHBondContact O-N 3Å; S256-E259 PolarHBondContact O-N 3.42Å; S256-H260 PolarHBondContact O-N 3.42Å
257	R	69.5	Low	71.5	Confident	139 Å²	139	106.1 Å²	106.1	53%	0.525	48%	0.477	S	S	.	.	H	α-helix	trans	-68.5	-23.7	173.7	-75.8	179.7	179.2	-169	1	114.8	S253 R255	S253-R257 WeakPolarHBondContact O-CG 3.33Å; S253-R257 PolarHBondContact O-N 2.97Å; R255-R257 VanDerWaalsContact C-N 3.26Å; R255-R257 PolarHBondContact O-N 3.08Å
258	R	70.4	Confident	71.6	Confident	146 Å²	146	110.6 Å²	110.6	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-80.7	-43.7	173.8	-71.6	-178.9	-177.3	-168.9	-0.6	110	D176 K254 R255 S256 H260 K261 D262	D176-R258 IonicContact OD2-NH2 3.57Å; K254-R258 PolarHBondContact O-N 3.42Å; R255-R258 WeakPolarHBondContact O-CB 3.49Å; R255-R258 PolarHBondContact O-N 2.97Å; S256-R258 VanDerWaalsContact C-N 3.31Å; S256-R258 PolarHBondContact O-N 3Å; R258-H260 VanDerWaalsContact C-N 3.31Å; R258-H260 PolarHBondContact O-N 3.5Å; R258-K261 PolarHBondContact O-N 3.3Å; R258-D262 PolarHBondContact O-N 3.27Å
259	E	72.7	Confident	71.8	Confident	126 Å²	126	106.7 Å²	106.7	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-57	-44.1	175.9	-68.8	165	-172.1	0	0	111.1	R255 S256 K261 D262 E263	R255-E259 PolarHBondContact O-N 3.27Å; R255-E259 VanDerWaalsContact O-N 3.08Å; S256-E259 PolarHBondContact O-N 3.42Å; E259-K261 VanDerWaalsContact C-N 3.27Å; E259-K261 PolarHBondContact O-N 3.23Å; E259-D262 PolarHBondContact O-N 2.97Å; E259-E263 PolarHBondContact O-N 3.37Å
260	H	68.6	Low	71.5	Confident	140 Å²	140	105.3 Å²	105.3	65%	0.648	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.3	174.6	-88	-54.4	0	0	0	116.3	S256 R258 E263	S256-H260 PolarHBondContact O-N 3.42Å; R258-H260 VanDerWaalsContact C-N 3.31Å; R258-H260 PolarHBondContact O-N 3.5Å; H260-E263 IonicContact ND1-OE2 3.82Å
261	K	65.4	Low	71.1	Confident	179 Å²	179	112.6 Å²	112.6	78%	0.778	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-16	174.9	-86.5	-172.2	175.1	-169.4	0	112.9	R258 E259	R258-K261 PolarHBondContact O-N 3.3Å; E259-K261 VanDerWaalsContact C-N 3.27Å; E259-K261 PolarHBondContact O-N 3.23Å
262	D	63.9	Low	70.9	Confident	145 Å²	145	120.8 Å²	120.8	78%	0.775	55%	0.548	S	S	*	.			trans	-99.7	-1.7	-179.1	-63	-29.9	0	0	0	111.9	R258 E259	R258-D262 PolarHBondContact O-N 3.27Å; E259-D262 PolarHBondContact O-N 2.97Å
263	E	54.6	Low	70	Confident	205 Å²	205	123.6 Å²	123.6	96%	0.958	56%	0.56	S	S	*	*			trans	-96.3	0	166.9	-69.4	-178.9	162.9	0	0	111.6	E259 H260	E259-E263 PolarHBondContact O-N 3.37Å; H260-E263 IonicContact ND1-OE2 3.82Å

Retrieved 263 of 263 residues in 449.6 ms (Link to these results)

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