A0A3Q0KSA5_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB (A0A3Q0KSE8), UniProt , Accession A0A3Q0KSA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 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	32.2	Very low	27.7	Very low	236 Å²	236	155.4 Å²	155.4	100%	1.163	83%	0.834	S	S	*	*				0	115.1	0	-72.7	172.9	172.7	0	0	107.1
2	T	32	Very low	27.9	Very low	129 Å²	129	156.4 Å²	156.4	79%	0.791	84%	0.84	S	S	*	*			trans	44.1	104.4	158.1	58.6	0	0	0	0	118.7
3	S	29.1	Very low	27.7	Very low	103 Å²	103	156.4 Å²	156.4	72%	0.72	84%	0.839	S	S	*	*				79.5	127.8	62.3	71.3	0	0	0	0	116.9
4	N	30.6	Very low	27.8	Very low	149 Å²	149	160.2 Å²	160.2	80%	0.797	85%	0.845	S	S	*	*			trans	83.1	149	160.4	-72.4	-16.5	0	0	0	119.6
5	L	25.9	Very low	27.6	Very low	161 Å²	161	160 Å²	160	84%	0.843	84%	0.844	S	S	*	*			cis	172.4	145.2	-33.7	-123.1	167.6	0	0	0	105.5
6	G	27.6	Very low	27.9	Very low	68 Å²	68	158.1 Å²	158.1	70%	0.701	84%	0.843	S	S	*	*			trans	94.6	112.4	167.3	0	0	0	0	0	113.9
7	F	24	Very low	28	Very low	197 Å²	197	154.1 Å²	154.1	86%	0.864	83%	0.831	S	S	*	*			cis	64.6	123.4	46	-118.7	-85.5	0	0	0	114.5
8	F	26.1	Very low	28.2	Very low	183 Å²	183	154.2 Å²	154.2	80%	0.803	83%	0.831	S	S	*	*			trans	91.1	102	-177.5	-73.6	-85.7	0	0	0	117.9
9	N	26.5	Very low	28.3	Very low	170 Å²	170	156.5 Å²	156.5	91%	0.909	83%	0.833	S	S	*	*			trans	-135.2	109.2	154.5	-107.5	-22.2	0	0	0	107.9
10	L	26.4	Very low	28.2	Very low	149 Å²	149	154.4 Å²	154.4	78%	0.78	83%	0.829	S	S	*	*			trans	-137.2	120.3	162	-104.4	167	0	0	0	107.6
11	M	24.2	Very low	28	Very low	164 Å²	164	154.1 Å²	154.1	81%	0.808	83%	0.827	S	S	*	*			trans	44.5	110.5	155.3	-65.5	-159.3	168.6	0	0	119
12	N	29.8	Very low	27.9	Very low	168 Å²	168	150.9 Å²	150.9	90%	0.898	81%	0.813	S	S	*	*			trans	-157.8	99.3	136.4	-91.5	-31	0	0	0	109
13	N	25.5	Very low	27.8	Very low	156 Å²	156	150.5 Å²	150.5	83%	0.834	81%	0.811	S	S	*	*			trans	-106	117.7	160.4	-87	-33.8	0	0	0	106.4
14	F	28.9	Very low	27.7	Very low	210 Å²	210	151.5 Å²	151.5	92%	0.921	81%	0.808	S	S	*	*			trans	161.7	95.2	139.5	-91.5	-70.3	0	0	0	107.9
15	L	25.9	Very low	27.7	Very low	157 Å²	157	150.7 Å²	150.7	82%	0.822	80%	0.804	S	S	*	*			trans	-87	159.7	154.4	-72	168	0	0	0	107.9
16	P	31.5	Very low	27.9	Very low	129 Å²	129	151.4 Å²	151.4	84%	0.838	81%	0.808	S	S	*	*				-138.9	136.4	108.4	32.3	-17.9	0	0	0	113.5
17	S	29.3	Very low	28.1	Very low	90 Å²	90	152.1 Å²	152.1	63%	0.629	81%	0.814	S	S	*	*			trans	-96.2	134.7	155.1	64.4	0	0	0	0	108.3
18	D	32.7	Very low	28.4	Very low	157 Å²	157	147.6 Å²	147.6	84%	0.84	81%	0.806	S	S	*	*				177.2	139	110.8	-83.7	-12.4	0	0	0	112.1
19	K	29.1	Very low	28.5	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	80%	0.8	S	S	*	*			trans	-87	151.1	-179.1	-67.7	170.5	172.6	177.1	0	110.9
20	C	26.4	Very low	28.8	Very low	113 Å²	113	141.5 Å²	141.5	76%	0.764	80%	0.795	S	S	*	*				-178.3	110.9	125.7	-94.2	0	0	0	0	110.3
21	L	25.2	Very low	29.2	Very low	149 Å²	149	145 Å²	145	78%	0.78	80%	0.8	S	S	*	*				83.6	111.7	91.4	-73.8	180	0	0	0	114.4
22	L	30.4	Very low	30	Very low	168 Å²	168	141.8 Å²	141.8	88%	0.88	79%	0.793	S	S	*	*				176.1	129.8	109	-90.1	166.9	0	0	0	112.3
23	V	27.9	Very low	30.8	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	78%	0.782	S	S	*	*			trans	-73.2	150.9	165.3	-116.2	0	0	0	0	108.4
24	N	28.8	Very low	32.6	Very low	124 Å²	124	135.9 Å²	135.9	66%	0.663	77%	0.773	S	S	*	*			cis	-172.6	156.8	47.9	-117.8	8	0	0	0	111.6
25	D	29	Very low	34.8	Very low	132 Å²	132	129 Å²	129	71%	0.706	75%	0.751	S	S	*	*			trans	59.1	114.1	144.3	-59.3	-36.8	0	0	0	122.2
26	L	31.5	Very low	37.2	Very low	177 Å²	177	123.7 Å²	123.7	93%	0.927	73%	0.725	S	S	*	*				-160.8	124.2	123.3	-95.9	166.1	0	0	0	108.2
27	G	31.9	Very low	39.4	Very low	82 Å²	82	121 Å²	121	85%	0.845	71%	0.71	S	S	*	*			trans	-64.8	138.9	-173.4	0	0	0	0	0	114.2
28	C	28.5	Very low	41.6	Very low	102 Å²	102	117.3 Å²	117.3	69%	0.689	68%	0.683	S	S	*	*			trans	-157.1	111	158.1	-141.7	0	0	0	0	109.9
29	T	28.8	Very low	43.4	Very low	111 Å²	111	114.4 Å²	114.4	68%	0.681	67%	0.673	S	S	*	*			trans	43.6	114.8	136.9	63.7	0	0	0	0	119.8
30	S	32.2	Very low	45	Very low	115 Å²	115	106.6 Å²	106.6	80%	0.804	64%	0.641	S	S	*	*			trans	33.4	90.5	146.7	59.8	0	0	0	0	116.6	S32	S30-S32 PolarHBondContact O-N 3.42Å; S30-S32 VanDerWaalsContact O-N 3.12Å
31	Y	36.3	Very low	46.6	Very low	222 Å²	222	109.8 Å²	109.8	87%	0.871	65%	0.649	S	S	*	*			trans	-66.5	110.6	163.8	-80.5	-89.2	0	0	0	108.6	T33	Y31-T33 PolarHBondContact O-N 2.81Å
32	S	41.4	Very low	48	Very low	96 Å²	96	105.6 Å²	105.6	67%	0.671	63%	0.633	S	S	*	*			trans	-60.7	130.8	162.2	65.1	0	0	0	0	107.8	S30 S34	S30-S32 PolarHBondContact O-N 3.42Å; S30-S32 VanDerWaalsContact O-N 3.12Å; S32-S34 PolarHBondContact O-N 3.08Å
33	T	46.5	Very low	49.3	Very low	107 Å²	107	98 Å²	98	66%	0.656	59%	0.594	S	S	*	*			trans	-65.3	88.1	169.5	44.4	0	0	0	0	108.2	Y31 S35	Y31-T33 PolarHBondContact O-N 2.81Å; T33-S35 VanDerWaalsContact C-N 3.33Å; T33-S35 PolarHBondContact O-N 3.45Å
34	S	63.5	Low	51.2	Low	93 Å²	93	98.7 Å²	98.7	65%	0.65	59%	0.592	S	S	*	*			trans	-76.2	92	175.8	55.9	0	0	0	0	107.8	S32 V36	S32-S34 PolarHBondContact O-N 3.08Å; S34-V36 PolarHBondContact O-N 3.02Å
35	S	73.9	Confident	53	Low	66 Å²	66	93.3 Å²	93.3	46%	0.462	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-59.9	131.8	171.8	62.6	0	0	0	0	110.5	T33 V46	T33-S35 VanDerWaalsContact C-N 3.33Å; T33-S35 PolarHBondContact O-N 3.45Å; S35-V46 VanDerWaalsContact CB-CG1 3.42Å
36	V	76.2	Confident	55.1	Low	45 Å²	45	90 Å²	90	27%	0.273	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126	173.6	-175.1	0	0	0	0	108	S34 V46 T47 L50 M53	S34-V36 PolarHBondContact O-N 3.02Å; V36-V46 CarbonylContact O-C 3.58Å; V36-V46 VanDerWaalsContact O-CA 3.27Å; V36-V46 WeakPolarHBondContact O-CA 3.21Å; V36-T47 PolarHBondContact N-O 2.91Å; V36-T47 PolarHBondContact O-N 3.33Å; V36-L50 HydrophobicContact CG1-CD1 4.14Å; V36-L50 HydrophobicContact CG2-CD1 4.48Å; V36-M53 HydrophobicContact CB-CE 4.28Å; V36-M53 HydrophobicContact CG1-CB 4.27Å; V36-M53 HydrophobicContact CG1-CE 4.08Å; V36-M53 HydrophobicContact CG1-CG 3.96Å; V36-M53 WeakPolarHBondContact O-CE 3.45Å
37	S	78.8	Confident	57.1	Low	74 Å²	74	82.7 Å²	82.7	52%	0.517	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	146	174.8	-54.7	0	0	0	0	111.2	M53	S37-M53 VanDerWaalsContact C-CE 3.41Å
38	C	75.2	Confident	59.4	Low	11 Å²	11	86 Å²	86	7%	0.074	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-60.4	135	178.5	-178.1	0	0	0	0	110.4	N40 C43 C45 M53 H56 H61	C38-N40 PolarHBondContact O-N 3.39Å; C38-C43 HydrophobicContact CB-CB 3.98Å; C38-C45 HydrophobicContact CB-CB 4.04Å; C38-C45 PolarHBondContact N-O 3.32Å; C38-M53 VanDerWaalsContact CA-SD 3.59Å; C38-M53 HydrophobicContact CB-CE 4.3Å; C38-M53 HydrophobicContact CB-SD 3.83Å; C38-M53 VanDerWaalsContact N-CE 3.29Å; C38-H56 PolarHBondContact SG-NE2 2.61Å; C38-H61 VanDerWaalsContact SG-CD2 3.53Å
39	P	69.1	Low	61.8	Low	97 Å²	97	84.6 Å²	84.6	63%	0.63	49%	0.49	S	S	*	.	S	Bend	trans	-70.5	-13	-179.5	27.6	-35	0	0	0	113.4	L41 Y57	P39-L41 PolarHBondContact O-N 2.99Å; P39-Y57 HydrophobicContact CG-CD2 3.87Å; P39-Y57 HydrophobicContact CG-CE2 3.78Å
40	N	63.7	Low	64.3	Low	34 Å²	34	84.1 Å²	84.1	18%	0.182	48%	0.483	C	S	.	.	S	Bend	trans	-76.1	112.2	171.4	-171.4	-17.8	0	0	0	109.4	C38 S42 C43 Y57 H61	C38-N40 PolarHBondContact O-N 3.39Å; N40-S42 PolarHBondContact O-N 3Å; N40-S42 PolarHBondContact OD1-N 3.23Å; N40-S42 PolarHBondContact OD1-OG 3.02Å; N40-S42 VanDerWaalsContact OD1-OG 3.06Å; N40-C43 HydrophobicContact CB-CB 3.98Å; N40-C43 WeakPolarHBondContact O-CA 3.38Å; N40-C43 WeakPolarHBondContact O-CB 3.2Å; N40-C43 PolarHBondContact O-N 3.3Å; N40-Y57 HydrophobicContact CB-CE2 4.45Å; N40-H61 PolarHBondContact ND2-ND1 3.12Å
41	L	60.4	Low	66.4	Low	179 Å²	179	85.5 Å²	85.5	94%	0.937	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.4	-174.1	-75.2	157.5	0	0	0	114.6	P39	P39-L41 PolarHBondContact O-N 2.99Å
42	S	54	Low	68.2	Low	62 Å²	62	79.2 Å²	79.2	43%	0.434	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.1	174.9	62.9	0	0	0	0	113.6	N40	N40-S42 PolarHBondContact O-N 3Å; N40-S42 PolarHBondContact OD1-N 3.23Å; N40-S42 PolarHBondContact OD1-OG 3.02Å; N40-S42 VanDerWaalsContact OD1-OG 3.06Å
43	C	58.6	Low	70	Confident	9 Å²	9	75.1 Å²	75.1	6%	0.061	43%	0.428	C	S	.	.			trans	-101.8	120.6	179.3	-175.3	0	0	0	0	110.9	C38 N40 C45 H56 H61	C38-C43 HydrophobicContact CB-CB 3.98Å; N40-C43 HydrophobicContact CB-CB 3.98Å; N40-C43 WeakPolarHBondContact O-CA 3.38Å; N40-C43 WeakPolarHBondContact O-CB 3.2Å; N40-C43 PolarHBondContact O-N 3.3Å; C43-C45 VanDerWaalsContact C-N 3.25Å; C43-C45 PolarHBondContact O-N 3Å; C43-C45 WeakPolarHBondContact SG-CB 3.48Å; C43-C45 PolarHBondContact SG-N 3.03Å; C43-C45 VanDerWaalsContact SG-N 3.39Å; C43-H56 VanDerWaalsContact SG-CE1 3.51Å; C43-H56 PolarHBondContact SG-NE2 3.08Å; C43-H61 WeakPolarHBondContact CB-NE2 3.33Å; C43-H61 PolarHBondContact SG-NE2 2.85Å
44	L	67.8	Low	71.3	Confident	135 Å²	135	76 Å²	76	71%	0.707	43%	0.425	S	S	*	.			trans	-87.1	12.4	177.6	-59.2	176.2	0	0	0	113.1	V46	L44-V46 PolarHBondContact O-N 2.65Å
45	C	65.1	Low	71.7	Confident	11 Å²	11	76.8 Å²	76.8	7%	0.074	42%	0.418	C	S	.	.			trans	-65.3	125.9	179.3	-175.7	0	0	0	0	109.8	C38 C43 M53 H56 V135	C38-C45 HydrophobicContact CB-CB 4.04Å; C38-C45 PolarHBondContact N-O 3.32Å; C43-C45 VanDerWaalsContact C-N 3.25Å; C43-C45 PolarHBondContact O-N 3Å; C43-C45 WeakPolarHBondContact SG-CB 3.48Å; C43-C45 PolarHBondContact SG-N 3.03Å; C43-C45 VanDerWaalsContact SG-N 3.39Å; C45-M53 WeakPolarHBondContact O-CE 3.48Å; C45-H56 VanDerWaalsContact CB-NE2 3.32Å; C45-H56 WeakPolarHBondContact CB-NE2 3.46Å; C45-H56 VanDerWaalsContact SG-CD2 3.59Å; C45-V135 HydrophobicContact CB-CB 3.94Å; C45-V135 HydrophobicContact CB-CG1 4.07Å; C45-V135 HydrophobicContact CB-CG2 4Å
46	V	73.6	Confident	71.6	Confident	61 Å²	61	74 Å²	74	37%	0.37	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134	176.2	-178.9	0	0	0	0	107.2	S35 V36 L44	S35-V46 VanDerWaalsContact CB-CG1 3.42Å; V36-V46 CarbonylContact O-C 3.58Å; V36-V46 VanDerWaalsContact O-CA 3.27Å; V36-V46 WeakPolarHBondContact O-CA 3.21Å; L44-V46 PolarHBondContact O-N 2.65Å
47	T	74.6	Confident	71.3	Confident	25 Å²	25	76.8 Å²	76.8	15%	0.153	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.2	176.8	164.4	0	0	0	0	109.6	V36 D49 L52 M53	V36-T47 PolarHBondContact N-O 2.91Å; V36-T47 PolarHBondContact O-N 3.33Å; T47-D49 VanDerWaalsContact C-N 3.29Å; T47-D49 WeakPolarHBondContact CG2-O 3.32Å; T47-D49 PolarHBondContact OG1-N 3.43Å; T47-D49 PolarHBondContact OG1-O 3.28Å; T47-D49 VanDerWaalsContact OG1-O 3.11Å; T47-L52 HydrophobicContact CG2-CB 4.28Å; T47-M53 HydrophobicContact CG2-CB 3.66Å; T47-M53 HydrophobicContact CG2-CE 3.53Å; T47-M53 HydrophobicContact CG2-CG 4.49Å; T47-M53 HydrophobicContact CG2-SD 4.33Å
48	E	78.6	Confident	70.8	Confident	150 Å²	150	76 Å²	76	70%	0.701	40%	0.403	S	S	*	.	S	Bend	trans	-81.6	-13.2	172.8	-60.7	-176.9	167.2	0	0	112
49	D	79.7	Confident	70.3	Confident	73 Å²	73	79.5 Å²	79.5	39%	0.39	42%	0.424	S	S	.	.			trans	-109.3	121.3	179.4	-173.3	-18.9	0	0	0	111.3	T47 Q51 L52 M53	T47-D49 VanDerWaalsContact C-N 3.29Å; T47-D49 WeakPolarHBondContact CG2-O 3.32Å; T47-D49 PolarHBondContact OG1-N 3.43Å; T47-D49 PolarHBondContact OG1-O 3.28Å; T47-D49 VanDerWaalsContact OG1-O 3.11Å; D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 2.91Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.37Å; D49-Q51 PolarHBondContact OD1-N 3.38Å; D49-L52 HydrophobicContact CB-CB 4.08Å; D49-L52 HydrophobicContact CB-CD1 3.87Å; D49-L52 HydrophobicContact CB-CG 3.88Å; D49-L52 PolarHBondContact O-N 2.95Å; D49-M53 PolarHBondContact O-N 3.1Å; D49-M53 VanDerWaalsContact O-N 3.13Å
50	L	81.1	Confident	70.1	Confident	102 Å²	102	75.8 Å²	75.8	53%	0.534	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-35.2	178	-175.6	64.6	0	0	0	112.5	V36 L52 M53 E54	V36-L50 HydrophobicContact CG1-CD1 4.14Å; V36-L50 HydrophobicContact CG2-CD1 4.48Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 3.28Å; L50-M53 WeakPolarHBondContact O-CA 3.48Å; L50-M53 WeakPolarHBondContact O-CB 3.21Å; L50-M53 PolarHBondContact O-N 3.26Å; L50-M53 VanDerWaalsContact O-N 3.08Å; L50-E54 PolarHBondContact O-N 2.88Å
51	Q	76.7	Confident	70.4	Confident	144 Å²	144	74.5 Å²	74.5	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-68.1	-36.2	178.9	-165.7	171.4	11.3	0	0	111	D49 M53 E54 Q55	D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 2.91Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.37Å; D49-Q51 PolarHBondContact OD1-N 3.38Å; Q51-M53 VanDerWaalsContact C-N 3.31Å; Q51-E54 PolarHBondContact O-N 3Å; Q51-Q55 WeakPolarHBondContact O-CB 3.34Å; Q51-Q55 PolarHBondContact O-N 3.47Å
52	L	73.9	Confident	71	Confident	90 Å²	90	72 Å²	72	47%	0.471	38%	0.376	S	S	.	.	H	α-helix	trans	-66.1	-34.3	170.2	-67.2	-178.9	0	0	0	111.8	T47 D49 L50 H56	T47-L52 HydrophobicContact CG2-CB 4.28Å; D49-L52 HydrophobicContact CB-CB 4.08Å; D49-L52 HydrophobicContact CB-CD1 3.87Å; D49-L52 HydrophobicContact CB-CG 3.88Å; D49-L52 PolarHBondContact O-N 2.95Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 3.28Å; L52-H56 VanDerWaalsContact O-CB 3.25Å; L52-H56 WeakPolarHBondContact O-CB 3.43Å; L52-H56 PolarHBondContact O-N 3.01Å
53	M	78.1	Confident	72.4	Confident	9 Å²	9	70.8 Å²	70.8	4%	0.044	36%	0.363	C	S	.	.	H	α-helix	trans	-67.3	-44.5	175.8	-174.4	56.7	76	0	0	111.8	V36 S37 C38 C45 T47 D49 L50 Q51 H56 Y57	V36-M53 HydrophobicContact CB-CE 4.28Å; V36-M53 HydrophobicContact CG1-CB 4.27Å; V36-M53 HydrophobicContact CG1-CE 4.08Å; V36-M53 HydrophobicContact CG1-CG 3.96Å; V36-M53 WeakPolarHBondContact O-CE 3.45Å; S37-M53 VanDerWaalsContact C-CE 3.41Å; C38-M53 VanDerWaalsContact CA-SD 3.59Å; C38-M53 HydrophobicContact CB-CE 4.3Å; C38-M53 HydrophobicContact CB-SD 3.83Å; C38-M53 VanDerWaalsContact N-CE 3.29Å; C45-M53 WeakPolarHBondContact O-CE 3.48Å; T47-M53 HydrophobicContact CG2-CB 3.66Å; T47-M53 HydrophobicContact CG2-CE 3.53Å; T47-M53 HydrophobicContact CG2-CG 4.49Å; T47-M53 HydrophobicContact CG2-SD 4.33Å; D49-M53 PolarHBondContact O-N 3.1Å; D49-M53 VanDerWaalsContact O-N 3.13Å; L50-M53 WeakPolarHBondContact O-CA 3.48Å; L50-M53 WeakPolarHBondContact O-CB 3.21Å; L50-M53 PolarHBondContact O-N 3.26Å; L50-M53 VanDerWaalsContact O-N 3.08Å; Q51-M53 VanDerWaalsContact C-N 3.31Å; M53-H56 WeakPolarHBondContact O-CB 3.33Å; M53-H56 PolarHBondContact O-N 3.49Å; M53-Y57 PolarHBondContact O-N 3.41Å
54	E	74.2	Confident	73.6	Confident	126 Å²	126	71.7 Å²	71.7	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-61.9	-44.9	176.2	-72	-178.5	163.5	0	0	111	L50 Q51 H56 Y57 A58	L50-E54 PolarHBondContact O-N 2.88Å; Q51-E54 PolarHBondContact O-N 3Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.47Å; E54-Y57 PolarHBondContact O-N 2.71Å; E54-A58 VanDerWaalsContact O-CB 3.29Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.17Å
55	Q	71.5	Confident	74.2	Confident	109 Å²	109	65.3 Å²	65.3	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175.6	-170.9	179.3	-2.1	0	0	111.6	Q51 T59	Q51-Q55 WeakPolarHBondContact O-CB 3.34Å; Q51-Q55 PolarHBondContact O-N 3.47Å; Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 WeakPolarHBondContact O-CG2 3.32Å; Q55-T59 PolarHBondContact O-N 2.88Å; Q55-T59 VanDerWaalsContact O-N 3.09Å; Q55-T59 PolarHBondContact O-OG1 2.83Å
56	H	73.5	Confident	75	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.037	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-52.8	173	159.4	67.1	0	0	0	110.8	C38 C43 C45 L52 M53 E54 A58 T59 C60 H61 V135	C38-H56 PolarHBondContact SG-NE2 2.61Å; C43-H56 VanDerWaalsContact SG-CE1 3.51Å; C43-H56 PolarHBondContact SG-NE2 3.08Å; C45-H56 VanDerWaalsContact CB-NE2 3.32Å; C45-H56 WeakPolarHBondContact CB-NE2 3.46Å; C45-H56 VanDerWaalsContact SG-CD2 3.59Å; L52-H56 VanDerWaalsContact O-CB 3.25Å; L52-H56 WeakPolarHBondContact O-CB 3.43Å; L52-H56 PolarHBondContact O-N 3.01Å; M53-H56 WeakPolarHBondContact O-CB 3.33Å; M53-H56 PolarHBondContact O-N 3.49Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.47Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.09Å; H56-T59 PolarHBondContact O-N 2.95Å; H56-T59 VanDerWaalsContact O-N 3.15Å; H56-T59 PolarHBondContact O-OG1 2.98Å; H56-C60 VanDerWaalsContact O-CB 3.27Å; H56-C60 WeakPolarHBondContact O-CB 3.34Å; H56-C60 PolarHBondContact O-N 2.96Å; H56-H61 AromaticContact CE1-CD2 3.72Å; H56-H61 AromaticContact CE1-NE2 3.27Å; H56-H61 PolarHBondContact CE1-NE2 2.88Å; H56-H61 VanDerWaalsContact CE1-NE2 3.27Å; H56-H61 AromaticContact NE2-CD2 3.3Å; H56-H61 PolarHBondContact NE2-CD2 2.89Å; H56-H61 VanDerWaalsContact NE2-CD2 3.3Å; H56-H61 AromaticContact NE2-NE2 3.08Å; H56-H61 PolarHBondContact NE2-NE2 3.16Å; H56-V135 VanDerWaalsContact CE1-CG2 3.46Å; H56-V135 WeakPolarHBondContact CE1-CG2 3.27Å
57	Y	69.4	Low	75.3	Confident	104 Å²	104	73.2 Å²	73.2	41%	0.408	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-42.6	-178.6	-166.4	-88.3	0	0	0	111.7	P39 N40 M53 E54 T59 H61 H62	P39-Y57 HydrophobicContact CG-CD2 3.87Å; P39-Y57 HydrophobicContact CG-CE2 3.78Å; N40-Y57 HydrophobicContact CB-CE2 4.45Å; M53-Y57 PolarHBondContact O-N 3.41Å; E54-Y57 PolarHBondContact O-N 2.71Å; Y57-T59 VanDerWaalsContact C-N 3.26Å; Y57-T59 PolarHBondContact O-N 2.95Å; Y57-H61 HydrophobicContact CD1-CB 4.4Å; Y57-H61 HydrophobicContact CD2-CB 3.83Å; Y57-H61 AromaticContact CD2-CD2 3.91Å; Y57-H61 HydrophobicContact CE1-CB 4.35Å; Y57-H61 HydrophobicContact CE2-CB 3.78Å; Y57-H61 HydrophobicContact CG-CB 4.15Å; Y57-H61 CarbonylContact O-C 3.5Å; Y57-H61 WeakPolarHBondContact O-CA 3.48Å; Y57-H61 PolarHBondContact O-N 2.82Å; Y57-H62 PolarHBondContact O-N 3.46Å
58	A	67.6	Low	75.5	Confident	58 Å²	58	74.1 Å²	74.1	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-21.8	178.3	0	0	0	0	0	114.2	E54 H56 H62	E54-A58 VanDerWaalsContact O-CB 3.29Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.17Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.09Å; A58-H62 VanDerWaalsContact O-CB 3.3Å; A58-H62 WeakPolarHBondContact O-CB 3.5Å
59	T	65.7	Low	75.4	Confident	84 Å²	84	67.9 Å²	67.9	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-105.4	-28.9	-178.4	52.7	0	0	0	0	113.6	Q55 H56 Y57 R138	Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 WeakPolarHBondContact O-CG2 3.32Å; Q55-T59 PolarHBondContact O-N 2.88Å; Q55-T59 VanDerWaalsContact O-N 3.09Å; Q55-T59 PolarHBondContact O-OG1 2.83Å; H56-T59 PolarHBondContact O-N 2.95Å; H56-T59 VanDerWaalsContact O-N 3.15Å; H56-T59 PolarHBondContact O-OG1 2.98Å; Y57-T59 VanDerWaalsContact C-N 3.26Å; Y57-T59 PolarHBondContact O-N 2.95Å; T59-R138 PolarHBondContact OG1-NH2 2.98Å
60	C	65.2	Low	75.3	Confident	19 Å²	19	66.2 Å²	66.2	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-98.3	-39	179.3	-74.6	0	0	0	0	112.3	H56 S71 I133 R138	H56-C60 VanDerWaalsContact O-CB 3.27Å; H56-C60 WeakPolarHBondContact O-CB 3.34Å; H56-C60 PolarHBondContact O-N 2.96Å; C60-S71 VanDerWaalsContact O-CB 3.31Å; C60-S71 WeakPolarHBondContact O-CB 3.27Å; C60-S71 PolarHBondContact O-OG 2.75Å; C60-I133 HydrophobicContact CB-CD1 3.55Å; C60-I133 HydrophobicContact CB-CG2 4.18Å; C60-I133 WeakPolarHBondContact O-CD1 3.48Å; C60-R138 PolarHBondContact SG-NH2 2.83Å
61	H	68.1	Low	75.3	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.028	33%	0.333	C	S	.	.	S	Bend	trans	-115.5	5.5	-166.8	-59.3	-55.7	0	0	0	115	C38 N40 C43 H56 Y57 H63 S64	C38-H61 VanDerWaalsContact SG-CD2 3.53Å; N40-H61 PolarHBondContact ND2-ND1 3.12Å; C43-H61 WeakPolarHBondContact CB-NE2 3.33Å; C43-H61 PolarHBondContact SG-NE2 2.85Å; H56-H61 AromaticContact CE1-CD2 3.72Å; H56-H61 AromaticContact CE1-NE2 3.27Å; H56-H61 PolarHBondContact CE1-NE2 2.88Å; H56-H61 VanDerWaalsContact CE1-NE2 3.27Å; H56-H61 AromaticContact NE2-CD2 3.3Å; H56-H61 PolarHBondContact NE2-CD2 2.89Å; H56-H61 VanDerWaalsContact NE2-CD2 3.3Å; H56-H61 AromaticContact NE2-NE2 3.08Å; H56-H61 PolarHBondContact NE2-NE2 3.16Å; Y57-H61 HydrophobicContact CD1-CB 4.4Å; Y57-H61 HydrophobicContact CD2-CB 3.83Å; Y57-H61 AromaticContact CD2-CD2 3.91Å; Y57-H61 HydrophobicContact CE1-CB 4.35Å; Y57-H61 HydrophobicContact CE2-CB 3.78Å; Y57-H61 HydrophobicContact CG-CB 4.15Å; Y57-H61 CarbonylContact O-C 3.5Å; Y57-H61 WeakPolarHBondContact O-CA 3.48Å; Y57-H61 PolarHBondContact O-N 2.82Å; H61-H63 VanDerWaalsContact C-N 3.25Å; H61-H63 PolarHBondContact O-N 3.29Å; H61-S64 VanDerWaalsContact CA-OG 3.31Å; H61-S64 WeakPolarHBondContact CA-OG 3.24Å; H61-S64 PolarHBondContact O-OG 2.74Å
62	H	73	Confident	75.7	Confident	126 Å²	126	55.3 Å²	55.3	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.6	-174.8	-172.9	-169.8	0	0	0	113.3	Y57 A58	Y57-H62 PolarHBondContact O-N 3.46Å; A58-H62 VanDerWaalsContact O-CB 3.3Å; A58-H62 WeakPolarHBondContact O-CB 3.5Å
63	H	84.3	Confident	75.9	Confident	37 Å²	37	57.2 Å²	57.2	17%	0.171	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	59	175.5	-53.1	-55.1	0	0	0	111.3	H61 F72 S74 S75 L78	H61-H63 VanDerWaalsContact C-N 3.25Å; H61-H63 PolarHBondContact O-N 3.29Å; H63-F72 HydrophobicContact CB-CB 4.23Å; H63-F72 WeakPolarHBondContact CB-O 3.35Å; H63-F72 WeakPolarHBondContact O-CD2 3.4Å; H63-F72 PolarHBondContact O-N 3.34Å; H63-S74 WeakPolarHBondContact CD2-CA 3.44Å; H63-S74 VanDerWaalsContact CG-C 3.45Å; H63-S75 PolarHBondContact CD2-N 3.48Å; H63-S75 VanDerWaalsContact CG-N 3.29Å; H63-S75 PolarHBondContact NE2-N 3.34Å; H63-L78 HydrophobicContact CB-CB 4.08Å; H63-L78 HydrophobicContact CB-CD2 4.07Å
64	S	82.9	Confident	76	Confident	28 Å²	28	58.5 Å²	58.5	20%	0.196	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-90.6	137.8	174.5	-55.4	0	0	0	0	112.4	H61 S66 I70 S71	H61-S64 VanDerWaalsContact CA-OG 3.31Å; H61-S64 WeakPolarHBondContact CA-OG 3.24Å; H61-S64 PolarHBondContact O-OG 2.74Å; S64-S66 PolarHBondContact O-N 3.37Å; S64-I70 CarbonylContact C-O 3.6Å; S64-I70 WeakPolarHBondContact CA-O 3.24Å; S64-S71 PolarHBondContact OG-OG 2.83Å
65	C	82	Confident	76.6	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.014	32%	0.32	C	S	.	.			trans	-72.2	123.7	171.4	-176.8	0	0	0	0	110	L67 G69 I70 L78 H86	C65-L67 PolarHBondContact O-N 3.04Å; C65-L67 PolarHBondContact SG-N 2.84Å; C65-G69 VanDerWaalsContact O-CA 3.27Å; C65-G69 WeakPolarHBondContact O-CA 3.25Å; C65-G69 PolarHBondContact O-N 2.88Å; C65-I70 PolarHBondContact N-O 3.03Å; C65-L78 HydrophobicContact CB-CD1 3.67Å; C65-H86 PolarHBondContact SG-CD2 2.93Å; C65-H86 PolarHBondContact SG-NE2 3.3Å; C65-H86 VanDerWaalsContact SG-NE2 3.43Å
66	S	81.2	Confident	77.5	Confident	113 Å²	113	54 Å²	54	79%	0.79	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.1	179.3	56.9	0	0	0	0	113.7	S64	S64-S66 PolarHBondContact O-N 3.37Å
67	L	79.4	Confident	78.2	Confident	124 Å²	124	54 Å²	54	65%	0.649	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-35.7	-178.1	-62.7	174.7	0	0	0	113.2	C65 H86	C65-L67 PolarHBondContact O-N 3.04Å; C65-L67 PolarHBondContact SG-N 2.84Å; L67-H86 HydrophobicContact CD1-CB 3.52Å; L67-H86 VanDerWaalsContact CD1-CG 3.5Å
68	C	79.6	Confident	79.1	Confident	45 Å²	45	50.1 Å²	50.1	30%	0.304	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-5.7	-175.5	68.6	0	0	0	0	115	I70 H81 H86	C68-I70 PolarHBondContact O-N 2.85Å; C68-H81 VanDerWaalsContact SG-CE1 3.58Å; C68-H81 PolarHBondContact SG-NE2 2.68Å; C68-H86 PolarHBondContact SG-NE2 3.02Å; C68-H86 VanDerWaalsContact SG-NE2 3.4Å
69	G	76.5	Confident	80.1	Confident	18 Å²	18	49.7 Å²	49.7	19%	0.186	29%	0.288	C	S	.	.			trans	78.4	-6.2	177.6	0	0	0	0	0	115.5	C65 S71	C65-G69 VanDerWaalsContact O-CA 3.27Å; C65-G69 WeakPolarHBondContact O-CA 3.25Å; C65-G69 PolarHBondContact O-N 2.88Å; G69-S71 PolarHBondContact O-N 2.92Å; G69-S71 PolarHBondContact O-OG 2.87Å
70	I	78.3	Confident	81.2	Confident	39 Å²	39	45.8 Å²	45.8	20%	0.2	26%	0.264	C	S	.	.			trans	-62.4	132.5	177.4	-61.4	175.3	0	0	0	109.7	S64 C65 C68 F72 I129 M132	S64-I70 CarbonylContact C-O 3.6Å; S64-I70 WeakPolarHBondContact CA-O 3.24Å; C65-I70 PolarHBondContact N-O 3.03Å; C68-I70 PolarHBondContact O-N 2.85Å; I70-F72 HydrophobicContact CB-CE2 4.08Å; I70-F72 HydrophobicContact CB-CZ 4.27Å; I70-F72 HydrophobicContact CG2-CD2 4.45Å; I70-F72 HydrophobicContact CG2-CE1 4.29Å; I70-F72 HydrophobicContact CG2-CE2 3.62Å; I70-F72 HydrophobicContact CG2-CZ 3.49Å; I70-F72 VanDerWaalsContact CG2-CZ 3.49Å; I70-I129 WeakPolarHBondContact CG2-O 3.46Å; I70-M132 HydrophobicContact CG1-CG 4.18Å
71	S	80.6	Confident	82.3	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.028	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-106.5	141.7	-178.9	-56.3	0	0	0	0	111.6	C60 S64 G69 G130 T131	C60-S71 VanDerWaalsContact O-CB 3.31Å; C60-S71 WeakPolarHBondContact O-CB 3.27Å; C60-S71 PolarHBondContact O-OG 2.75Å; S64-S71 PolarHBondContact OG-OG 2.83Å; G69-S71 PolarHBondContact O-N 2.92Å; G69-S71 PolarHBondContact O-OG 2.87Å; S71-G130 VanDerWaalsContact O-CA 3.28Å; S71-G130 WeakPolarHBondContact O-CA 3.23Å; S71-T131 PolarHBondContact N-O 2.95Å; S71-T131 PolarHBondContact O-N 2.82Å
72	F	83.8	Confident	83.3	Confident	12 Å²	12	48.6 Å²	48.6	5%	0.053	28%	0.275	C	S	.	.			trans	-119.5	152.9	-177.4	-63.8	-87.6	0	0	0	110.9	H63 I70 S74 L77 L78 H81	H63-F72 HydrophobicContact CB-CB 4.23Å; H63-F72 WeakPolarHBondContact CB-O 3.35Å; H63-F72 WeakPolarHBondContact O-CD2 3.4Å; H63-F72 PolarHBondContact O-N 3.34Å; I70-F72 HydrophobicContact CB-CE2 4.08Å; I70-F72 HydrophobicContact CB-CZ 4.27Å; I70-F72 HydrophobicContact CG2-CD2 4.45Å; I70-F72 HydrophobicContact CG2-CE1 4.29Å; I70-F72 HydrophobicContact CG2-CE2 3.62Å; I70-F72 HydrophobicContact CG2-CZ 3.49Å; I70-F72 VanDerWaalsContact CG2-CZ 3.49Å; F72-S74 PolarHBondContact O-N 2.89Å; F72-L77 HydrophobicContact CB-CB 3.95Å; F72-L77 HydrophobicContact CD1-CB 3.71Å; F72-L77 HydrophobicContact CG-CB 4.12Å; F72-L78 HydrophobicContact CB-CB 4.16Å; F72-L78 HydrophobicContact CD2-CB 3.79Å; F72-L78 HydrophobicContact CD2-CD1 3.74Å; F72-L78 HydrophobicContact CD2-CG 4.39Å; F72-L78 HydrophobicContact CE2-CD1 3.98Å; F72-L78 HydrophobicContact CG-CB 4.13Å; F72-H81 HydrophobicContact CE1-CB 3.64Å; F72-H81 HydrophobicContact CE2-CB 3.65Å; F72-H81 AromaticContact CE2-CD2 3.53Å; F72-H81 AromaticContact CE2-CG 3.47Å; F72-H81 VanDerWaalsContact CE2-CG 3.47Å; F72-H81 HydrophobicContact CZ-CB 3.15Å; F72-H81 AromaticContact CZ-CD2 3.68Å; F72-H81 AromaticContact CZ-CG 3.11Å; F72-H81 AromaticContact CZ-ND1 3.47Å; F72-H81 WeakPolarHBondContact CZ-ND1 3.2Å
73	I	78.3	Confident	84	Confident	130 Å²	130	44.5 Å²	44.5	67%	0.667	26%	0.256	S	S	*	.	S	Bend	trans	-76.3	-11.2	177.1	64.4	166.7	0	0	0	113	L77 V127	I73-L77 HydrophobicContact CD1-CD1 4.12Å; I73-L77 HydrophobicContact CG1-CD1 3.45Å; I73-L77 VanDerWaalsContact CG1-CD1 3.45Å; I73-V127 HydrophobicContact CD1-CG1 3.7Å; I73-V127 HydrophobicContact CG1-CG1 4.43Å
74	S	81.5	Confident	84.1	Confident	37 Å²	37	44.5 Å²	44.5	26%	0.259	26%	0.257	S	S	.	.	S	Bend	trans	-149.9	153.3	177.4	74.3	0	0	0	0	112.1	H63 F72 R76 L77 L78	H63-S74 WeakPolarHBondContact CD2-CA 3.44Å; H63-S74 VanDerWaalsContact CG-C 3.45Å; F72-S74 PolarHBondContact O-N 2.89Å; S74-R76 PolarHBondContact O-N 3.46Å; S74-L77 PolarHBondContact O-N 2.92Å; S74-L77 WeakPolarHBondContact OG-CD1 3.3Å; S74-L77 WeakPolarHBondContact OG-CG 3.21Å; S74-L77 PolarHBondContact OG-N 2.94Å; S74-L78 PolarHBondContact O-N 3.42Å; S74-L78 VanDerWaalsContact O-N 3.13Å
75	S	86.7	Confident	84.3	Confident	75 Å²	75	47 Å²	47	52%	0.524	27%	0.271	S	S	.	.	H	α-helix	trans	-59.5	-32	175.3	57.5	0	0	0	0	113	H63 L78 S79	H63-S75 PolarHBondContact CD2-N 3.48Å; H63-S75 VanDerWaalsContact CG-N 3.29Å; H63-S75 PolarHBondContact NE2-N 3.34Å; S75-L78 PolarHBondContact O-N 2.88Å; S75-S79 WeakPolarHBondContact O-CB 3.43Å; S75-S79 PolarHBondContact O-N 3.08Å
76	R	89.1	Confident	84.3	Confident	64 Å²	64	50.1 Å²	50.1	24%	0.242	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176.9	-177.1	171.6	-176.2	97.7	-13.6	111.4	S74 S79 V80 D95 C96 F97	S74-R76 PolarHBondContact O-N 3.46Å; R76-S79 PolarHBondContact O-N 2.83Å; R76-V80 VanDerWaalsContact O-CG2 3.3Å; R76-V80 WeakPolarHBondContact O-CG2 3.39Å; R76-V80 PolarHBondContact O-N 2.89Å; R76-D95 IonicContact NH2-OD1 2.68Å; R76-C96 PolarHBondContact NE-O 2.86Å; R76-C96 PolarHBondContact NH2-O 3.34Å; R76-F97 WeakPolarHBondContact CD-O 3.46Å
77	L	89.3	Confident	84.2	Confident	10 Å²	10	47 Å²	47	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-40.9	178.3	-67.7	167.9	0	0	0	111.2	F72 I73 S74 S79 V80 H81 F97 V127 L128	F72-L77 HydrophobicContact CB-CB 3.95Å; F72-L77 HydrophobicContact CD1-CB 3.71Å; F72-L77 HydrophobicContact CG-CB 4.12Å; I73-L77 HydrophobicContact CD1-CD1 4.12Å; I73-L77 HydrophobicContact CG1-CD1 3.45Å; I73-L77 VanDerWaalsContact CG1-CD1 3.45Å; S74-L77 PolarHBondContact O-N 2.92Å; S74-L77 WeakPolarHBondContact OG-CD1 3.3Å; S74-L77 WeakPolarHBondContact OG-CG 3.21Å; S74-L77 PolarHBondContact OG-N 2.94Å; L77-S79 PolarHBondContact O-N 3.43Å; L77-V80 PolarHBondContact O-N 2.99Å; L77-H81 WeakPolarHBondContact O-CB 3.47Å; L77-H81 PolarHBondContact O-N 3.36Å; L77-F97 HydrophobicContact CD2-CB 3.89Å; L77-F97 HydrophobicContact CD2-CD1 3.67Å; L77-F97 HydrophobicContact CD2-CG 4.14Å; L77-V127 HydrophobicContact CD1-CG1 4.44Å; L77-V127 WeakPolarHBondContact CD1-O 3.26Å; L77-L128 HydrophobicContact CD2-CD2 4.05Å
78	L	88.3	Confident	83.5	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-49	171.2	171.8	61.5	0	0	0	111.6	H63 C65 F72 S74 S75 V80 H81 E82	H63-L78 HydrophobicContact CB-CB 4.08Å; H63-L78 HydrophobicContact CB-CD2 4.07Å; C65-L78 HydrophobicContact CB-CD1 3.67Å; F72-L78 HydrophobicContact CB-CB 4.16Å; F72-L78 HydrophobicContact CD2-CB 3.79Å; F72-L78 HydrophobicContact CD2-CD1 3.74Å; F72-L78 HydrophobicContact CD2-CG 4.39Å; F72-L78 HydrophobicContact CE2-CD1 3.98Å; F72-L78 HydrophobicContact CG-CB 4.13Å; S74-L78 PolarHBondContact O-N 3.42Å; S74-L78 VanDerWaalsContact O-N 3.13Å; S75-L78 PolarHBondContact O-N 2.88Å; L78-V80 VanDerWaalsContact C-N 3.35Å; L78-V80 PolarHBondContact O-N 3.29Å; L78-H81 WeakPolarHBondContact O-CB 3.42Å; L78-H81 PolarHBondContact O-N 2.96Å; L78-E82 HydrophobicContact CD1-CG 4.03Å; L78-E82 HydrophobicContact CG-CG 4.47Å; L78-E82 WeakPolarHBondContact O-CG 3.22Å; L78-E82 PolarHBondContact O-N 2.83Å
79	S	88.5	Confident	82.5	Confident	48 Å²	48	46.7 Å²	46.7	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-41.3	-179.8	-173	0	0	0	0	112.4	S75 R76 L77 E82 Q83	S75-S79 WeakPolarHBondContact O-CB 3.43Å; S75-S79 PolarHBondContact O-N 3.08Å; R76-S79 PolarHBondContact O-N 2.83Å; L77-S79 PolarHBondContact O-N 3.43Å; S79-E82 PolarHBondContact O-N 2.94Å; S79-Q83 VanDerWaalsContact O-CG 3.27Å; S79-Q83 WeakPolarHBondContact O-CG 3.35Å; S79-Q83 PolarHBondContact O-N 3.25Å; S79-Q83 PolarHBondContact OG-NE2 2.81Å
80	V	88.7	Confident	81.8	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-43.3	175.2	173.3	0	0	0	0	110.5	R76 L77 L78 E82 Q83 I84 F97 L111	R76-V80 VanDerWaalsContact O-CG2 3.3Å; R76-V80 WeakPolarHBondContact O-CG2 3.39Å; R76-V80 PolarHBondContact O-N 2.89Å; L77-V80 PolarHBondContact O-N 2.99Å; L78-V80 VanDerWaalsContact C-N 3.35Å; L78-V80 PolarHBondContact O-N 3.29Å; V80-E82 PolarHBondContact O-N 3.32Å; V80-Q83 PolarHBondContact O-N 2.91Å; V80-I84 HydrophobicContact CG1-CD1 3.59Å; V80-I84 HydrophobicContact CG1-CG1 4.28Å; V80-I84 VanDerWaalsContact O-CG1 3.26Å; V80-I84 WeakPolarHBondContact O-CG1 3.31Å; V80-I84 PolarHBondContact O-N 3.3Å; V80-F97 HydrophobicContact CB-CD1 4.38Å; V80-F97 HydrophobicContact CB-CE1 4.38Å; V80-F97 HydrophobicContact CG1-CD1 3.86Å; V80-F97 HydrophobicContact CG1-CE1 3.48Å; V80-F97 VanDerWaalsContact CG1-CE1 3.48Å; V80-F97 HydrophobicContact CG1-CZ 4.44Å; V80-L111 HydrophobicContact CG1-CD2 3.72Å
81	H	89.1	Confident	81.2	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.065	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-46.4	175	160.6	82.6	0	0	0	112.5	C68 F72 L77 L78 Q83 I84 T85 H86	C68-H81 VanDerWaalsContact SG-CE1 3.58Å; C68-H81 PolarHBondContact SG-NE2 2.68Å; F72-H81 HydrophobicContact CE1-CB 3.64Å; F72-H81 HydrophobicContact CE2-CB 3.65Å; F72-H81 AromaticContact CE2-CD2 3.53Å; F72-H81 AromaticContact CE2-CG 3.47Å; F72-H81 VanDerWaalsContact CE2-CG 3.47Å; F72-H81 HydrophobicContact CZ-CB 3.15Å; F72-H81 AromaticContact CZ-CD2 3.68Å; F72-H81 AromaticContact CZ-CG 3.11Å; F72-H81 AromaticContact CZ-ND1 3.47Å; F72-H81 WeakPolarHBondContact CZ-ND1 3.2Å; L77-H81 WeakPolarHBondContact O-CB 3.47Å; L77-H81 PolarHBondContact O-N 3.36Å; L78-H81 WeakPolarHBondContact O-CB 3.42Å; L78-H81 PolarHBondContact O-N 2.96Å; H81-Q83 VanDerWaalsContact C-N 3.28Å; H81-Q83 PolarHBondContact O-N 3.44Å; H81-I84 PolarHBondContact O-N 3.27Å; H81-T85 PolarHBondContact CE1-OG1 2.92Å; H81-T85 PolarHBondContact ND1-OG1 2.8Å; H81-T85 VanDerWaalsContact O-CB 3.25Å; H81-T85 WeakPolarHBondContact O-CB 3.31Å; H81-T85 PolarHBondContact O-N 2.92Å; H81-T85 PolarHBondContact O-OG1 2.79Å; H81-H86 AromaticContact CE1-NE2 3.84Å; H81-H86 AromaticContact NE2-CD2 3.55Å; H81-H86 AromaticContact NE2-NE2 3.25Å; H81-H86 PolarHBondContact NE2-NE2 3.29Å
82	E	88	Confident	81.1	Confident	69 Å²	69	62.2 Å²	62.2	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-40.3	177.5	-71.8	171.7	160.8	0	0	111	L78 S79 V80 H86 C87	L78-E82 HydrophobicContact CD1-CG 4.03Å; L78-E82 HydrophobicContact CG-CG 4.47Å; L78-E82 WeakPolarHBondContact O-CG 3.22Å; L78-E82 PolarHBondContact O-N 2.83Å; S79-E82 PolarHBondContact O-N 2.94Å; V80-E82 PolarHBondContact O-N 3.32Å; E82-H86 CarbonylContact O-C 3.59Å; E82-H86 VanDerWaalsContact O-CA 3.31Å; E82-H86 WeakPolarHBondContact O-CA 3.29Å; E82-H86 WeakPolarHBondContact O-CB 3.32Å; E82-H86 PolarHBondContact O-N 2.93Å; E82-C87 PolarHBondContact O-N 3.36Å
83	Q	87.9	Confident	81.3	Confident	40 Å²	40	65.9 Å²	65.9	19%	0.187	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-40.2	176.5	-71.1	174.6	34.1	0	0	113	S79 V80 H81 C87 L94	S79-Q83 VanDerWaalsContact O-CG 3.27Å; S79-Q83 WeakPolarHBondContact O-CG 3.35Å; S79-Q83 PolarHBondContact O-N 3.25Å; S79-Q83 PolarHBondContact OG-NE2 2.81Å; V80-Q83 PolarHBondContact O-N 2.91Å; H81-Q83 VanDerWaalsContact C-N 3.28Å; H81-Q83 PolarHBondContact O-N 3.44Å; Q83-C87 WeakPolarHBondContact O-CB 3.29Å; Q83-L94 HydrophobicContact CB-CD2 3.59Å
84	I	87	Confident	81.9	Confident	37 Å²	37	60 Å²	60	19%	0.19	34%	0.341	C	S	.	.	H	α-helix	trans	-71.7	-50.5	-179.7	-68.2	170.7	0	0	0	110.5	V80 H81 K91 L94 L111 F112	V80-I84 HydrophobicContact CG1-CD1 3.59Å; V80-I84 HydrophobicContact CG1-CG1 4.28Å; V80-I84 VanDerWaalsContact O-CG1 3.26Å; V80-I84 WeakPolarHBondContact O-CG1 3.31Å; V80-I84 PolarHBondContact O-N 3.3Å; H81-I84 PolarHBondContact O-N 3.27Å; I84-K91 PolarHBondContact O-NZ 2.87Å; I84-L94 HydrophobicContact CD1-CD1 4.29Å; I84-L94 HydrophobicContact CG1-CD1 3.8Å; I84-L94 HydrophobicContact CG1-CD2 3.93Å; I84-L111 HydrophobicContact CD1-CD2 4.06Å; I84-F112 HydrophobicContact CD1-CE2 4.18Å
85	T	86	Confident	82.3	Confident	80 Å²	80	60.2 Å²	60.2	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-93	-32.9	-164.3	-42.8	0	0	0	0	112.6	H81	H81-T85 PolarHBondContact CE1-OG1 2.92Å; H81-T85 PolarHBondContact ND1-OG1 2.8Å; H81-T85 VanDerWaalsContact O-CB 3.25Å; H81-T85 WeakPolarHBondContact O-CB 3.31Å; H81-T85 PolarHBondContact O-N 2.92Å; H81-T85 PolarHBondContact O-OG1 2.79Å
86	H	82.9	Confident	82.6	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.315	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-6.1	-167.4	-58.8	-49.9	0	0	0	114.5	C65 L67 C68 H81 E82	C65-H86 PolarHBondContact SG-CD2 2.93Å; C65-H86 PolarHBondContact SG-NE2 3.3Å; C65-H86 VanDerWaalsContact SG-NE2 3.43Å; L67-H86 HydrophobicContact CD1-CB 3.52Å; L67-H86 VanDerWaalsContact CD1-CG 3.5Å; C68-H86 PolarHBondContact SG-NE2 3.02Å; C68-H86 VanDerWaalsContact SG-NE2 3.4Å; H81-H86 AromaticContact CE1-NE2 3.84Å; H81-H86 AromaticContact NE2-CD2 3.55Å; H81-H86 AromaticContact NE2-NE2 3.25Å; H81-H86 PolarHBondContact NE2-NE2 3.29Å; E82-H86 CarbonylContact O-C 3.59Å; E82-H86 VanDerWaalsContact O-CA 3.31Å; E82-H86 WeakPolarHBondContact O-CA 3.29Å; E82-H86 WeakPolarHBondContact O-CB 3.32Å; E82-H86 PolarHBondContact O-N 2.93Å
87	C	78.1	Confident	82.7	Confident	47 Å²	47	54.1 Å²	54.1	32%	0.318	31%	0.305	S	S	.	.			trans	-87.3	131.3	178.3	-161.9	0	0	0	0	112.3	E82 Q83 K91	E82-C87 PolarHBondContact O-N 3.36Å; Q83-C87 WeakPolarHBondContact O-CB 3.29Å; C87-K91 HydrophobicContact CB-CG 4.46Å; C87-K91 WeakPolarHBondContact O-CE 3.32Å
88	G	64.5	Low	82.6	Confident	51 Å²	51	56.7 Å²	56.7	53%	0.526	32%	0.319	S	S	.	.			trans	-78	-155.9	176.6	0	0	0	0	0	114.1	F90	G88-F90 PolarHBondContact O-N 3.15Å
89	A	59.6	Low	82.5	Confident	112 Å²	112	59.5 Å²	59.5	93%	0.926	35%	0.346	S	S	*	.	S	Bend	trans	-60.6	-9.5	-163.7	0	0	0	0	0	117.6
90	F	60.7	Low	82.6	Confident	197 Å²	197	63.7 Å²	63.7	86%	0.864	37%	0.368	S	S	*	.			trans	-112.9	93.9	173.9	-104.2	-91	0	0	0	110.1	G88	G88-F90 PolarHBondContact O-N 3.15Å
91	K	67.8	Low	82.8	Confident	112 Å²	112	64.1 Å²	64.1	49%	0.487	37%	0.371	S	S	.	.			trans	-99.7	114.4	178.4	-64.9	-168.3	179.1	-165.6	0	110.6	I84 C87	I84-K91 PolarHBondContact O-NZ 2.87Å; C87-K91 HydrophobicContact CB-CG 4.46Å; C87-K91 WeakPolarHBondContact O-CE 3.32Å
92	P	77.6	Confident	83	Confident	79 Å²	79	68.7 Å²	68.7	51%	0.513	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-60.2	158.5	163.2	27.9	-32.6	0	0	0	109.5	L94	P92-L94 PolarHBondContact O-N 2.84Å
93	K	88	Confident	83.3	Confident	89 Å²	89	70.1 Å²	70.1	39%	0.387	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.2	131.8	176.2	-65.8	-170.5	178.1	-163.5	0	110	D95 K104 F105 Y106	K93-D95 PolarHBondContact O-N 2.98Å; K93-K104 HydrophobicContact CB-CB 3.96Å; K93-K104 HydrophobicContact CB-CD 4.47Å; K93-K104 HydrophobicContact CD-CB 4.16Å; K93-F105 CarbonylContact C-O 3.55Å; K93-F105 WeakPolarHBondContact CA-O 3.4Å; K93-F105 WeakPolarHBondContact CB-O 3.47Å; K93-Y106 HydrophobicContact CD-CE1 4.49Å; K93-Y106 VanDerWaalsContact CE-CE1 3.5Å; K93-Y106 WeakPolarHBondContact CE-OH 3.21Å; K93-Y106 HydrophobicContact CG-CD1 4.46Å; K93-Y106 HydrophobicContact CG-CE1 4.41Å; K93-Y106 VanDerWaalsContact NZ-CZ 3.25Å; K93-Y106 PolarHBondContact NZ-OH 2.68Å
94	L	89.9	Confident	83.6	Confident	6 Å²	6	73.1 Å²	73.1	3%	0.031	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.4	177.2	-62	174.2	0	0	0	109.7	Q83 I84 P92 K104 F105 L111	Q83-L94 HydrophobicContact CB-CD2 3.59Å; I84-L94 HydrophobicContact CD1-CD1 4.29Å; I84-L94 HydrophobicContact CG1-CD1 3.8Å; I84-L94 HydrophobicContact CG1-CD2 3.93Å; P92-L94 PolarHBondContact O-N 2.84Å; L94-K104 CarbonylContact O-C 3.58Å; L94-K104 WeakPolarHBondContact O-CA 3.41Å; L94-F105 HydrophobicContact CB-CB 4.48Å; L94-F105 PolarHBondContact N-O 3.46Å; L94-F105 PolarHBondContact O-N 3.17Å; L94-L111 HydrophobicContact CB-CD2 4.03Å; L94-L111 HydrophobicContact CD1-CB 4.44Å; L94-L111 HydrophobicContact CD1-CD2 4.03Å
95	D	91.1	Very high	83.9	Confident	42 Å²	42	72.4 Å²	72.4	23%	0.225	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.8	171.2	-89.8	-60.8	0	0	0	111.5	R76 K93 K104	R76-D95 IonicContact NH2-OD1 2.68Å; K93-D95 PolarHBondContact O-N 2.98Å; D95-K104 WeakPolarHBondContact OD1-CE 3.08Å; D95-K104 IonicContact OD1-NZ 3.74Å; D95-K104 PolarHBondContact OD1-NZ 2.91Å; D95-K104 IonicContact OD2-NZ 3.69Å; D95-K104 PolarHBondContact OD2-NZ 2.89Å
96	C	92.8	Very high	84	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-53.8	143.6	169.8	-178.6	0	0	0	0	110.9	R76 L98 C101 Q103 F105 H114 H119	R76-C96 PolarHBondContact NE-O 2.86Å; R76-C96 PolarHBondContact NH2-O 3.34Å; C96-L98 PolarHBondContact O-N 2.95Å; C96-L98 VanDerWaalsContact O-N 3.11Å; C96-C101 HydrophobicContact CB-CB 3.85Å; C96-Q103 WeakPolarHBondContact CB-O 3.43Å; C96-Q103 PolarHBondContact N-O 2.89Å; C96-F105 HydrophobicContact CB-CE2 4.13Å; C96-H114 PolarHBondContact SG-NE2 3Å; C96-H119 PolarHBondContact SG-NE2 3.03Å; C96-H119 VanDerWaalsContact SG-NE2 3.41Å
97	F	90.4	Very high	84.2	Confident	10 Å²	10	76.4 Å²	76.4	4%	0.044	43%	0.427	C	S	.	.	S	Bend	trans	-55.3	-32.4	179.1	-59.5	-65.8	0	0	0	113.5	R76 L77 V80 L111 F112 A115 L128	R76-F97 WeakPolarHBondContact CD-O 3.46Å; L77-F97 HydrophobicContact CD2-CB 3.89Å; L77-F97 HydrophobicContact CD2-CD1 3.67Å; L77-F97 HydrophobicContact CD2-CG 4.14Å; V80-F97 HydrophobicContact CB-CD1 4.38Å; V80-F97 HydrophobicContact CB-CE1 4.38Å; V80-F97 HydrophobicContact CG1-CD1 3.86Å; V80-F97 HydrophobicContact CG1-CE1 3.48Å; V80-F97 VanDerWaalsContact CG1-CE1 3.48Å; V80-F97 HydrophobicContact CG1-CZ 4.44Å; F97-L111 HydrophobicContact CD1-CD2 4.45Å; F97-L111 HydrophobicContact CD2-CD1 4Å; F97-L111 HydrophobicContact CD2-CG 4.26Å; F97-L111 HydrophobicContact CE1-CD2 3.84Å; F97-L111 HydrophobicContact CE1-CG 4.39Å; F97-L111 HydrophobicContact CE2-CD1 3.91Å; F97-L111 HydrophobicContact CE2-CD2 4.01Å; F97-L111 HydrophobicContact CE2-CG 3.65Å; F97-L111 HydrophobicContact CG-CD1 4.46Å; F97-L111 HydrophobicContact CZ-CD1 4.32Å; F97-L111 HydrophobicContact CZ-CD2 3.58Å; F97-L111 HydrophobicContact CZ-CG 3.74Å; F97-F112 AromaticContact CE2-CD1 3.94Å; F97-F112 HydrophobicContact CE2-CD1 3.94Å; F97-F112 HydrophobicContact CE2-CE1 4.05Å; F97-F112 HydrophobicContact CE2-CG 4.49Å; F97-F112 AromaticContact CZ-CD1 3.91Å; F97-F112 HydrophobicContact CZ-CD1 3.91Å; F97-F112 AromaticContact CZ-CE1 3.6Å; F97-F112 HydrophobicContact CZ-CE1 3.6Å; F97-F112 HydrophobicContact CZ-CE2 4.31Å; F97-F112 HydrophobicContact CZ-CG 4.42Å; F97-F112 AromaticContact CZ-CZ 3.8Å; F97-F112 HydrophobicContact CZ-CZ 3.8Å; F97-A115 HydrophobicContact CD2-CB 3.58Å; F97-A115 HydrophobicContact CE2-CB 3.73Å; F97-L128 HydrophobicContact CB-CD2 3.77Å; F97-L128 HydrophobicContact CD1-CD2 3.84Å; F97-L128 HydrophobicContact CD2-CD1 3.9Å; F97-L128 HydrophobicContact CD2-CD2 3.51Å; F97-L128 HydrophobicContact CD2-CG 4.31Å; F97-L128 HydrophobicContact CE1-CD2 4.23Å; F97-L128 HydrophobicContact CE2-CD1 3.67Å; F97-L128 HydrophobicContact CE2-CD2 3.96Å; F97-L128 HydrophobicContact CE2-CG 4.34Å; F97-L128 HydrophobicContact CG-CD2 3.44Å; F97-L128 VanDerWaalsContact CG-CD2 3.44Å; F97-L128 HydrophobicContact CZ-CD1 4.21Å; F97-L128 HydrophobicContact CZ-CD2 4.3Å
98	L	88.7	Confident	84.7	Confident	64 Å²	64	76.3 Å²	76.3	34%	0.335	43%	0.427	S	S	.	.	S	Bend	trans	-88.2	123.8	177.7	-59.1	-176	0	0	0	110.8	C96 V100 C101 H119 L121	C96-L98 PolarHBondContact O-N 2.95Å; C96-L98 VanDerWaalsContact O-N 3.11Å; L98-V100 HydrophobicContact CB-CG2 4.15Å; L98-V100 PolarHBondContact O-N 2.77Å; L98-C101 HydrophobicContact CB-CB 4.17Å; L98-C101 WeakPolarHBondContact O-CB 3.25Å; L98-C101 PolarHBondContact O-N 3.09Å; L98-H119 HydrophobicContact CD1-CB 3.94Å; L98-L121 HydrophobicContact CD1-CD1 4.49Å; L98-L121 HydrophobicContact CD2-CD1 4.23Å; L98-L121 HydrophobicContact CG-CD1 4.22Å
99	A	86.2	Confident	85.9	Confident	82 Å²	82	77.1 Å²	77.1	68%	0.678	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.8	179.2	0	0	0	0	0	113.6	C101	A99-C101 VanDerWaalsContact C-N 3.25Å; A99-C101 PolarHBondContact O-N 3.49Å
100	V	90.2	Very high	87.4	Confident	135 Å²	135	76 Å²	76	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.9	175.8	-62.4	0	0	0	0	112.9	L98	L98-V100 HydrophobicContact CB-CG2 4.15Å; L98-V100 PolarHBondContact O-N 2.77Å
101	C	91.6	Very high	89	Confident	12 Å²	12	66.7 Å²	66.7	8%	0.081	36%	0.363	C	S	.	.			trans	-94.5	119	178.2	-173.3	0	0	0	0	109.9	C96 L98 A99 Q103 H114 H119	C96-C101 HydrophobicContact CB-CB 3.85Å; L98-C101 HydrophobicContact CB-CB 4.17Å; L98-C101 WeakPolarHBondContact O-CB 3.25Å; L98-C101 PolarHBondContact O-N 3.09Å; A99-C101 VanDerWaalsContact C-N 3.25Å; A99-C101 PolarHBondContact O-N 3.49Å; C101-Q103 PolarHBondContact O-N 2.96Å; C101-H114 PolarHBondContact SG-NE2 3.19Å; C101-H119 PolarHBondContact SG-NE2 2.9Å; C101-H119 VanDerWaalsContact SG-NE2 3.41Å
102	P	93.8	Very high	90.1	Very high	110 Å²	110	63.2 Å²	63.2	71%	0.714	35%	0.348	S	S	*	.			trans	-81	0.4	-176.6	33.7	-36.7	0	0	0	113.7
103	Q	95.3	Very high	90.7	Very high	100 Å²	100	62.4 Å²	62.4	47%	0.467	35%	0.345	S	S	.	.			trans	-70.9	144.1	-174.5	-62.8	-61.9	-35.1	0	0	111.9	C96 C101 F105	C96-Q103 WeakPolarHBondContact CB-O 3.43Å; C96-Q103 PolarHBondContact N-O 2.89Å; C101-Q103 PolarHBondContact O-N 2.96Å; Q103-F105 HydrophobicContact CB-CE2 3.91Å; Q103-F105 HydrophobicContact CB-CZ 3.57Å
104	K	94.1	Very high	91	Very high	103 Å²	103	59.4 Å²	59.4	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.3	-179.2	-68.9	179.7	178.2	-76.3	0	110.6	K93 L94 D95	K93-K104 HydrophobicContact CB-CB 3.96Å; K93-K104 HydrophobicContact CB-CD 4.47Å; K93-K104 HydrophobicContact CD-CB 4.16Å; L94-K104 CarbonylContact O-C 3.58Å; L94-K104 WeakPolarHBondContact O-CA 3.41Å; D95-K104 WeakPolarHBondContact OD1-CE 3.08Å; D95-K104 IonicContact OD1-NZ 3.74Å; D95-K104 PolarHBondContact OD1-NZ 2.91Å; D95-K104 IonicContact OD2-NZ 3.69Å; D95-K104 PolarHBondContact OD2-NZ 2.89Å
105	F	93.5	Very high	91	Very high	21 Å²	21	59.1 Å²	59.1	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.5	-168.9	-55.2	-78.6	0	0	0	112.1	K93 L94 C96 Q103 E110 L111 H114	K93-F105 CarbonylContact C-O 3.55Å; K93-F105 WeakPolarHBondContact CA-O 3.4Å; K93-F105 WeakPolarHBondContact CB-O 3.47Å; L94-F105 HydrophobicContact CB-CB 4.48Å; L94-F105 PolarHBondContact N-O 3.46Å; L94-F105 PolarHBondContact O-N 3.17Å; C96-F105 HydrophobicContact CB-CE2 4.13Å; Q103-F105 HydrophobicContact CB-CE2 3.91Å; Q103-F105 HydrophobicContact CB-CZ 3.57Å; F105-E110 HydrophobicContact CB-CB 4.05Å; F105-E110 HydrophobicContact CD1-CB 3.83Å; F105-E110 HydrophobicContact CG-CB 4.28Å; F105-L111 HydrophobicContact CB-CB 3.98Å; F105-L111 HydrophobicContact CD2-CB 3.74Å; F105-L111 HydrophobicContact CD2-CD1 3.51Å; F105-L111 HydrophobicContact CD2-CG 4.2Å; F105-L111 HydrophobicContact CE2-CD1 3.73Å; F105-L111 HydrophobicContact CG-CB 3.89Å; F105-L111 HydrophobicContact CG-CD1 4.49Å; F105-H114 HydrophobicContact CD1-CB 4.45Å; F105-H114 HydrophobicContact CE1-CB 3.5Å; F105-H114 VanDerWaalsContact CE1-CB 3.5Å; F105-H114 AromaticContact CE1-CG 3.79Å; F105-H114 HydrophobicContact CE2-CB 4.12Å; F105-H114 AromaticContact CE2-CD2 3.58Å; F105-H114 AromaticContact CE2-CG 3.93Å; F105-H114 HydrophobicContact CZ-CB 3.32Å; F105-H114 AromaticContact CZ-CD2 3.23Å; F105-H114 WeakPolarHBondContact CZ-CD2 3.14Å; F105-H114 AromaticContact CZ-CG 3.13Å; F105-H114 AromaticContact CZ-ND1 3.75Å; F105-H114 AromaticContact CZ-NE2 3.87Å
106	Y	86.6	Confident	90.9	Very high	162 Å²	162	63 Å²	63	64%	0.635	34%	0.343	S	S	*	.	S	Bend	trans	-84	-29.5	179.3	-74.3	-85.2	0	0	0	112.5	K93 E110	K93-Y106 HydrophobicContact CD-CE1 4.49Å; K93-Y106 VanDerWaalsContact CE-CE1 3.5Å; K93-Y106 WeakPolarHBondContact CE-OH 3.21Å; K93-Y106 HydrophobicContact CG-CD1 4.46Å; K93-Y106 HydrophobicContact CG-CE1 4.41Å; K93-Y106 VanDerWaalsContact NZ-CZ 3.25Å; K93-Y106 PolarHBondContact NZ-OH 2.68Å; Y106-E110 PolarHBondContact N-OE2 3.1Å; Y106-E110 VanDerWaalsContact N-OE2 3.16Å
107	D	88	Confident	90.8	Very high	70 Å²	70	68.3 Å²	68.3	37%	0.374	37%	0.371	S	S	.	.	S	Bend	trans	-139.5	168.9	179.4	66.2	60.3	0	0	0	112	A109 E110 L111	D107-A109 VanDerWaalsContact C-N 3.33Å; D107-A109 WeakPolarHBondContact OD1-CA 3.13Å; D107-A109 WeakPolarHBondContact OD1-CB 3.35Å; D107-A109 PolarHBondContact OD1-N 3.17Å; D107-E110 PolarHBondContact OD1-N 3.32Å; D107-L111 PolarHBondContact O-N 3.08Å
108	S	89	Confident	90.9	Very high	46 Å²	46	71.7 Å²	71.7	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-67.9	-32.8	-178.4	51.2	0	0	0	0	112.3	L111 F112	S108-L111 PolarHBondContact O-N 3Å; S108-F112 WeakPolarHBondContact O-CD2 3.49Å; S108-F112 PolarHBondContact O-N 3.49Å
109	A	88.4	Confident	91	Very high	68 Å²	68	71.6 Å²	71.6	56%	0.562	39%	0.393	S	S	*	.	H	α-helix	trans	-65.7	-43.4	-178.3	0	0	0	0	0	111.3	D107 S113	D107-A109 VanDerWaalsContact C-N 3.33Å; D107-A109 WeakPolarHBondContact OD1-CA 3.13Å; D107-A109 WeakPolarHBondContact OD1-CB 3.35Å; D107-A109 PolarHBondContact OD1-N 3.17Å; A109-S113 VanDerWaalsContact O-CB 3.27Å; A109-S113 WeakPolarHBondContact O-CB 3.47Å; A109-S113 PolarHBondContact O-N 3.22Å
110	E	92.9	Very high	91	Very high	89 Å²	89	70.4 Å²	70.4	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-45	172.8	-69.9	-174.7	157.2	0	0	111.7	F105 Y106 D107 S113 H114	F105-E110 HydrophobicContact CB-CB 4.05Å; F105-E110 HydrophobicContact CD1-CB 3.83Å; F105-E110 HydrophobicContact CG-CB 4.28Å; Y106-E110 PolarHBondContact N-OE2 3.1Å; Y106-E110 VanDerWaalsContact N-OE2 3.16Å; D107-E110 PolarHBondContact OD1-N 3.32Å; E110-S113 PolarHBondContact O-N 3.33Å; E110-H114 WeakPolarHBondContact O-CB 3.22Å; E110-H114 PolarHBondContact O-N 2.79Å
111	L	93.1	Very high	90.6	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-49.8	178.1	168.4	63	0	0	0	112.1	V80 I84 L94 F97 F105 D107 S108 H114 A115	V80-L111 HydrophobicContact CG1-CD2 3.72Å; I84-L111 HydrophobicContact CD1-CD2 4.06Å; L94-L111 HydrophobicContact CB-CD2 4.03Å; L94-L111 HydrophobicContact CD1-CB 4.44Å; L94-L111 HydrophobicContact CD1-CD2 4.03Å; F97-L111 HydrophobicContact CD1-CD2 4.45Å; F97-L111 HydrophobicContact CD2-CD1 4Å; F97-L111 HydrophobicContact CD2-CG 4.26Å; F97-L111 HydrophobicContact CE1-CD2 3.84Å; F97-L111 HydrophobicContact CE1-CG 4.39Å; F97-L111 HydrophobicContact CE2-CD1 3.91Å; F97-L111 HydrophobicContact CE2-CD2 4.01Å; F97-L111 HydrophobicContact CE2-CG 3.65Å; F97-L111 HydrophobicContact CG-CD1 4.46Å; F97-L111 HydrophobicContact CZ-CD1 4.32Å; F97-L111 HydrophobicContact CZ-CD2 3.58Å; F97-L111 HydrophobicContact CZ-CG 3.74Å; F105-L111 HydrophobicContact CB-CB 3.98Å; F105-L111 HydrophobicContact CD2-CB 3.74Å; F105-L111 HydrophobicContact CD2-CD1 3.51Å; F105-L111 HydrophobicContact CD2-CG 4.2Å; F105-L111 HydrophobicContact CE2-CD1 3.73Å; F105-L111 HydrophobicContact CG-CB 3.89Å; F105-L111 HydrophobicContact CG-CD1 4.49Å; D107-L111 PolarHBondContact O-N 3.08Å; S108-L111 PolarHBondContact O-N 3Å; L111-H114 PolarHBondContact O-N 2.99Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.41Å
112	F	91	Very high	89.9	Confident	40 Å²	40	70.6 Å²	70.6	18%	0.175	38%	0.383	C	S	.	.	H	α-helix	trans	-65.1	-40.3	179.9	-81.5	-71.9	0	0	0	111.6	I84 F97 S108 A115 Y116 P123 L128 I129	I84-F112 HydrophobicContact CD1-CE2 4.18Å; F97-F112 AromaticContact CE2-CD1 3.94Å; F97-F112 HydrophobicContact CE2-CD1 3.94Å; F97-F112 HydrophobicContact CE2-CE1 4.05Å; F97-F112 HydrophobicContact CE2-CG 4.49Å; F97-F112 AromaticContact CZ-CD1 3.91Å; F97-F112 HydrophobicContact CZ-CD1 3.91Å; F97-F112 AromaticContact CZ-CE1 3.6Å; F97-F112 HydrophobicContact CZ-CE1 3.6Å; F97-F112 HydrophobicContact CZ-CE2 4.31Å; F97-F112 HydrophobicContact CZ-CG 4.42Å; F97-F112 AromaticContact CZ-CZ 3.8Å; F97-F112 HydrophobicContact CZ-CZ 3.8Å; S108-F112 WeakPolarHBondContact O-CD2 3.49Å; S108-F112 PolarHBondContact O-N 3.49Å; F112-A115 PolarHBondContact O-N 3.41Å; F112-Y116 PolarHBondContact O-N 3.46Å; F112-P123 HydrophobicContact CB-CB 4.36Å; F112-P123 HydrophobicContact CD1-CB 3.92Å; F112-P123 VanDerWaalsContact CE1-O 3.27Å; F112-P123 WeakPolarHBondContact CE1-O 3.34Å; F112-P123 HydrophobicContact CG-CB 4.41Å; F112-L128 HydrophobicContact CD1-CD1 4.12Å; F112-L128 HydrophobicContact CE1-CB 4.2Å; F112-L128 HydrophobicContact CE1-CD1 4.02Å; F112-I129 HydrophobicContact CE1-CG2 4.44Å; F112-I129 HydrophobicContact CZ-CG2 4.41Å
113	S	90.7	Very high	89	Confident	62 Å²	62	67.6 Å²	67.6	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-45.3	174.2	-177.9	0	0	0	0	111.6	A109 E110 Y116 N117	A109-S113 VanDerWaalsContact O-CB 3.27Å; A109-S113 WeakPolarHBondContact O-CB 3.47Å; A109-S113 PolarHBondContact O-N 3.22Å; E110-S113 PolarHBondContact O-N 3.33Å; S113-Y116 PolarHBondContact O-N 2.95Å; S113-N117 WeakPolarHBondContact O-CB 3.27Å; S113-N117 VanDerWaalsContact O-CG 3.31Å; S113-N117 PolarHBondContact O-N 3.42Å; S113-N117 PolarHBondContact O-ND2 3.17Å; S113-N117 PolarHBondContact OG-ND2 2.91Å; S113-N117 VanDerWaalsContact OG-ND2 3.12Å
114	H	93.9	Very high	88.1	Confident	26 Å²	26	69.5 Å²	69.5	12%	0.12	38%	0.377	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.5	167.1	77.4	0	0	0	112.2	C96 C101 F105 E110 L111 Y116 N117 C118 H119	C96-H114 PolarHBondContact SG-NE2 3Å; C101-H114 PolarHBondContact SG-NE2 3.19Å; F105-H114 HydrophobicContact CD1-CB 4.45Å; F105-H114 HydrophobicContact CE1-CB 3.5Å; F105-H114 VanDerWaalsContact CE1-CB 3.5Å; F105-H114 AromaticContact CE1-CG 3.79Å; F105-H114 HydrophobicContact CE2-CB 4.12Å; F105-H114 AromaticContact CE2-CD2 3.58Å; F105-H114 AromaticContact CE2-CG 3.93Å; F105-H114 HydrophobicContact CZ-CB 3.32Å; F105-H114 AromaticContact CZ-CD2 3.23Å; F105-H114 WeakPolarHBondContact CZ-CD2 3.14Å; F105-H114 AromaticContact CZ-CG 3.13Å; F105-H114 AromaticContact CZ-ND1 3.75Å; F105-H114 AromaticContact CZ-NE2 3.87Å; E110-H114 WeakPolarHBondContact O-CB 3.22Å; E110-H114 PolarHBondContact O-N 2.79Å; L111-H114 PolarHBondContact O-N 2.99Å; H114-Y116 VanDerWaalsContact C-N 3.28Å; H114-Y116 PolarHBondContact O-N 3.32Å; H114-N117 PolarHBondContact O-N 3.3Å; H114-C118 PolarHBondContact ND1-SG 3.25Å; H114-C118 VanDerWaalsContact O-CB 3.29Å; H114-C118 WeakPolarHBondContact O-CB 3.44Å; H114-C118 PolarHBondContact O-N 3.35Å; H114-H119 AromaticContact CE1-NE2 3.87Å; H114-H119 AromaticContact NE2-CD2 3.81Å; H114-H119 AromaticContact NE2-NE2 3.19Å; H114-H119 PolarHBondContact NE2-NE2 3.1Å; H114-H119 VanDerWaalsContact NE2-NE2 3.19Å
115	A	89.1	Confident	87.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.8	-41.6	179.8	0	0	0	0	0	111.8	F97 L111 F112 H119 G120 L121 L128	F97-A115 HydrophobicContact CD2-CB 3.58Å; F97-A115 HydrophobicContact CE2-CB 3.73Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.41Å; F112-A115 PolarHBondContact O-N 3.41Å; A115-H119 CarbonylContact O-C 3.44Å; A115-H119 WeakPolarHBondContact O-CA 3.26Å; A115-H119 VanDerWaalsContact O-CB 3.28Å; A115-H119 WeakPolarHBondContact O-CB 3.43Å; A115-H119 PolarHBondContact O-N 3.24Å; A115-H119 VanDerWaalsContact O-N 3.1Å; A115-G120 PolarHBondContact O-N 2.76Å; A115-G120 VanDerWaalsContact O-N 3.17Å; A115-L121 HydrophobicContact CB-CB 4.21Å; A115-L121 HydrophobicContact CB-CD1 4.49Å; A115-L121 PolarHBondContact O-N 3.3Å; A115-L121 VanDerWaalsContact O-N 3.08Å; A115-L128 HydrophobicContact CB-CD1 4.42Å
116	Y	88.9	Confident	86.3	Confident	122 Å²	122	68.6 Å²	68.6	48%	0.478	39%	0.386	S	S	.	.	H	α-helix	trans	-67.5	-54.7	174.7	-179.4	-107	0	0	0	111.7	F112 S113 H114 C118 G120 L121 L122	F112-Y116 PolarHBondContact O-N 3.46Å; S113-Y116 PolarHBondContact O-N 2.95Å; H114-Y116 VanDerWaalsContact C-N 3.28Å; H114-Y116 PolarHBondContact O-N 3.32Å; Y116-C118 PolarHBondContact O-N 2.82Å; Y116-G120 VanDerWaalsContact O-CA 3.26Å; Y116-G120 WeakPolarHBondContact O-CA 3.47Å; Y116-G120 PolarHBondContact O-N 2.69Å; Y116-L121 VanDerWaalsContact CA-O 3.29Å; Y116-L121 WeakPolarHBondContact CA-O 3.37Å; Y116-L121 PolarHBondContact N-O 2.9Å; Y116-L122 HydrophobicContact CD2-CD2 4.19Å; Y116-L122 HydrophobicContact CE2-CD2 3.87Å
117	N	91.3	Very high	85.8	Confident	112 Å²	112	63.7 Å²	63.7	60%	0.599	37%	0.373	S	S	*	.	H	α-helix	trans	-70.8	-34.2	-171.1	-70	-47.7	0	0	0	113.7	S113 H114	S113-N117 WeakPolarHBondContact O-CB 3.27Å; S113-N117 VanDerWaalsContact O-CG 3.31Å; S113-N117 PolarHBondContact O-N 3.42Å; S113-N117 PolarHBondContact O-ND2 3.17Å; S113-N117 PolarHBondContact OG-ND2 2.91Å; S113-N117 VanDerWaalsContact OG-ND2 3.12Å; H114-N117 PolarHBondContact O-N 3.3Å
118	C	91.7	Very high	85.5	Confident	81 Å²	81	60.7 Å²	60.7	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-100.4	-24	-176.2	-63	0	0	0	0	113.7	H114 Y116	H114-C118 PolarHBondContact ND1-SG 3.25Å; H114-C118 VanDerWaalsContact O-CB 3.29Å; H114-C118 WeakPolarHBondContact O-CB 3.44Å; H114-C118 PolarHBondContact O-N 3.35Å; Y116-C118 PolarHBondContact O-N 2.82Å
119	H	91.4	Very high	85.2	Confident	63 Å²	63	62.2 Å²	62.2	29%	0.292	36%	0.361	S	S	.	.	H	α-helix	trans	-125.3	-5.2	-173.9	-52.8	-44.4	0	0	0	114	C96 L98 C101 H114 A115 L121	C96-H119 PolarHBondContact SG-NE2 3.03Å; C96-H119 VanDerWaalsContact SG-NE2 3.41Å; L98-H119 HydrophobicContact CD1-CB 3.94Å; C101-H119 PolarHBondContact SG-NE2 2.9Å; C101-H119 VanDerWaalsContact SG-NE2 3.41Å; H114-H119 AromaticContact CE1-NE2 3.87Å; H114-H119 AromaticContact NE2-CD2 3.81Å; H114-H119 AromaticContact NE2-NE2 3.19Å; H114-H119 PolarHBondContact NE2-NE2 3.1Å; H114-H119 VanDerWaalsContact NE2-NE2 3.19Å; A115-H119 CarbonylContact O-C 3.44Å; A115-H119 WeakPolarHBondContact O-CA 3.26Å; A115-H119 VanDerWaalsContact O-CB 3.28Å; A115-H119 WeakPolarHBondContact O-CB 3.43Å; A115-H119 PolarHBondContact O-N 3.24Å; A115-H119 VanDerWaalsContact O-N 3.1Å; H119-L121 HydrophobicContact CB-CD1 4.03Å; H119-L121 HydrophobicContact CB-CG 3.93Å; H119-L121 PolarHBondContact O-N 2.92Å
120	G	85.8	Confident	84.4	Confident	56 Å²	56	59.5 Å²	59.5	58%	0.577	34%	0.339	S	S	*	.			trans	67.6	18.4	-177.8	0	0	0	0	0	113.7	A115 Y116 L122	A115-G120 PolarHBondContact O-N 2.76Å; A115-G120 VanDerWaalsContact O-N 3.17Å; Y116-G120 VanDerWaalsContact O-CA 3.26Å; Y116-G120 WeakPolarHBondContact O-CA 3.47Å; Y116-G120 PolarHBondContact O-N 2.69Å; G120-L122 PolarHBondContact O-N 3.15Å
121	L	81.9	Confident	83.2	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.225	34%	0.338	C	S	.	.			trans	-83.6	116.7	179.6	-60.1	174	0	0	0	109.3	L98 A115 Y116 H119 L128	L98-L121 HydrophobicContact CD1-CD1 4.49Å; L98-L121 HydrophobicContact CD2-CD1 4.23Å; L98-L121 HydrophobicContact CG-CD1 4.22Å; A115-L121 HydrophobicContact CB-CB 4.21Å; A115-L121 HydrophobicContact CB-CD1 4.49Å; A115-L121 PolarHBondContact O-N 3.3Å; A115-L121 VanDerWaalsContact O-N 3.08Å; Y116-L121 VanDerWaalsContact CA-O 3.29Å; Y116-L121 WeakPolarHBondContact CA-O 3.37Å; Y116-L121 PolarHBondContact N-O 2.9Å; H119-L121 HydrophobicContact CB-CD1 4.03Å; H119-L121 HydrophobicContact CB-CG 3.93Å; H119-L121 PolarHBondContact O-N 2.92Å; L121-L128 HydrophobicContact CB-CD1 3.91Å; L121-L128 HydrophobicContact CB-CG 4.46Å; L121-L128 HydrophobicContact CD1-CD2 4.12Å
122	L	76.6	Confident	81.7	Confident	109 Å²	109	64.2 Å²	64.2	57%	0.571	37%	0.367	S	S	*	.			trans	-63.7	132.9	177.6	-67.1	175	0	0	0	110.3	Y116 G120 D124 S125	Y116-L122 HydrophobicContact CD2-CD2 4.19Å; Y116-L122 HydrophobicContact CE2-CD2 3.87Å; G120-L122 PolarHBondContact O-N 3.15Å; L122-D124 PolarHBondContact O-N 3.38Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 3.5Å
123	P	75	Confident	79.9	Confident	47 Å²	47	63.9 Å²	63.9	31%	0.305	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.5	-177.3	-26.7	34.2	0	0	0	113.9	F112 S125 I129	F112-P123 HydrophobicContact CB-CB 4.36Å; F112-P123 HydrophobicContact CD1-CB 3.92Å; F112-P123 VanDerWaalsContact CE1-O 3.27Å; F112-P123 WeakPolarHBondContact CE1-O 3.34Å; F112-P123 HydrophobicContact CG-CB 4.41Å; P123-S125 VanDerWaalsContact C-N 3.31Å; P123-S125 PolarHBondContact O-N 2.82Å; P123-I129 WeakPolarHBondContact O-CG2 3.43Å
124	D	76.6	Confident	77.3	Confident	140 Å²	140	63.5 Å²	63.5	75%	0.749	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	10.8	-177.9	-50.9	-32.5	0	0	0	112.7	L122 S126	L122-D124 PolarHBondContact O-N 3.38Å; D124-S126 PolarHBondContact O-N 3.32Å
125	S	77.2	Confident	74.9	Confident	34 Å²	34	63.3 Å²	63.3	24%	0.238	37%	0.365	C	S	.	.			trans	-62.5	129.6	177.7	178.2	0	0	0	0	109.9	L122 P123 V127 L128 I129	L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 3.5Å; P123-S125 VanDerWaalsContact C-N 3.31Å; P123-S125 PolarHBondContact O-N 2.82Å; S125-V127 PolarHBondContact O-N 2.94Å; S125-V127 WeakPolarHBondContact OG-CB 3.13Å; S125-V127 PolarHBondContact OG-N 3.25Å; S125-L128 PolarHBondContact O-N 2.83Å; S125-I129 WeakPolarHBondContact O-CG1 3.28Å; S125-I129 PolarHBondContact O-N 2.85Å
126	S	72.7	Confident	72.2	Confident	71 Å²	71	70.3 Å²	70.3	50%	0.497	40%	0.398	S	S	.	.	H	α-helix	trans	-54.6	-20.5	173.3	56.8	0	0	0	0	113.5	D124 G130	D124-S126 PolarHBondContact O-N 3.32Å; S126-G130 CarbonylContact O-C 3.57Å; S126-G130 WeakPolarHBondContact O-CA 3.37Å; S126-G130 PolarHBondContact O-N 3.24Å
127	V	77.1	Confident	69.3	Low	59 Å²	59	71.1 Å²	71.1	36%	0.358	41%	0.41	S	S	.	.	H	α-helix	trans	-66.2	-42.9	170.8	176.3	0	0	0	0	111.6	I73 L77 S125	I73-V127 HydrophobicContact CD1-CG1 3.7Å; I73-V127 HydrophobicContact CG1-CG1 4.43Å; L77-V127 HydrophobicContact CD1-CG1 4.44Å; L77-V127 WeakPolarHBondContact CD1-O 3.26Å; S125-V127 PolarHBondContact O-N 2.94Å; S125-V127 WeakPolarHBondContact OG-CB 3.13Å; S125-V127 PolarHBondContact OG-N 3.25Å
128	L	80.7	Confident	66.5	Low	7 Å²	7	72.7 Å²	72.7	4%	0.037	41%	0.408	C	S	.	.	H	α-helix	trans	-83.5	-44.2	-177.1	-68.1	-170.5	0	0	0	112.7	L77 F97 F112 A115 L121 S125 G130	L77-L128 HydrophobicContact CD2-CD2 4.05Å; F97-L128 HydrophobicContact CB-CD2 3.77Å; F97-L128 HydrophobicContact CD1-CD2 3.84Å; F97-L128 HydrophobicContact CD2-CD1 3.9Å; F97-L128 HydrophobicContact CD2-CD2 3.51Å; F97-L128 HydrophobicContact CD2-CG 4.31Å; F97-L128 HydrophobicContact CE1-CD2 4.23Å; F97-L128 HydrophobicContact CE2-CD1 3.67Å; F97-L128 HydrophobicContact CE2-CD2 3.96Å; F97-L128 HydrophobicContact CE2-CG 4.34Å; F97-L128 HydrophobicContact CG-CD2 3.44Å; F97-L128 VanDerWaalsContact CG-CD2 3.44Å; F97-L128 HydrophobicContact CZ-CD1 4.21Å; F97-L128 HydrophobicContact CZ-CD2 4.3Å; F112-L128 HydrophobicContact CD1-CD1 4.12Å; F112-L128 HydrophobicContact CE1-CB 4.2Å; F112-L128 HydrophobicContact CE1-CD1 4.02Å; A115-L128 HydrophobicContact CB-CD1 4.42Å; L121-L128 HydrophobicContact CB-CD1 3.91Å; L121-L128 HydrophobicContact CB-CG 4.46Å; L121-L128 HydrophobicContact CD1-CD2 4.12Å; S125-L128 PolarHBondContact O-N 2.83Å; L128-G130 VanDerWaalsContact C-N 3.34Å
129	I	82.3	Confident	63.5	Low	78 Å²	78	75.7 Å²	75.7	40%	0.4	42%	0.418	S	S	.	.	H	α-helix	trans	-86.8	-9.7	-175.7	67.8	177.1	0	0	0	112.8	I70 F112 P123 S125	I70-I129 WeakPolarHBondContact CG2-O 3.46Å; F112-I129 HydrophobicContact CE1-CG2 4.44Å; F112-I129 HydrophobicContact CZ-CG2 4.41Å; P123-I129 WeakPolarHBondContact O-CG2 3.43Å; S125-I129 WeakPolarHBondContact O-CG1 3.28Å; S125-I129 PolarHBondContact O-N 2.85Å
130	G	72.4	Confident	60.6	Low	10 Å²	10	77.7 Å²	77.7	10%	0.103	44%	0.439	C	S	.	.			trans	78.2	174.2	-175.9	0	0	0	0	0	112.6	S71 S126 L128	S71-G130 VanDerWaalsContact O-CA 3.28Å; S71-G130 WeakPolarHBondContact O-CA 3.23Å; S126-G130 CarbonylContact O-C 3.57Å; S126-G130 WeakPolarHBondContact O-CA 3.37Å; S126-G130 PolarHBondContact O-N 3.24Å; L128-G130 VanDerWaalsContact C-N 3.34Å
131	T	68	Low	58	Low	63 Å²	63	83.5 Å²	83.5	39%	0.387	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-123.5	139.2	176.3	51.7	0	0	0	0	110.9	S71 I133	S71-T131 PolarHBondContact N-O 2.95Å; S71-T131 PolarHBondContact O-N 2.82Å; T131-I133 PolarHBondContact O-N 3.39Å
132	M	61	Low	55.7	Low	125 Å²	125	89 Å²	89	62%	0.616	48%	0.479	S	S	*	.			trans	-72.7	101.8	159.9	-77.7	-96.4	-85.7	0	0	106.7	I70 S134	I70-M132 HydrophobicContact CG1-CG 4.18Å; M132-S134 PolarHBondContact O-N 3.31Å
133	I	53.6	Low	53.8	Low	33 Å²	33	89.5 Å²	89.5	17%	0.169	48%	0.481	C	S	.	.			trans	-75.8	96.5	179	-61.6	179.7	0	0	0	108.1	C60 T131 V135	C60-I133 HydrophobicContact CB-CD1 3.55Å; C60-I133 HydrophobicContact CB-CG2 4.18Å; C60-I133 WeakPolarHBondContact O-CD1 3.48Å; T131-I133 PolarHBondContact O-N 3.39Å; I133-V135 HydrophobicContact CG2-CG2 3.42Å; I133-V135 VanDerWaalsContact CG2-CG2 3.42Å
134	S	36.6	Very low	52.3	Low	54 Å²	54	92.4 Å²	92.4	38%	0.378	49%	0.492	S	S	.	.			trans	-94.4	104.9	154.5	21.2	0	0	0	0	106.1	M132 E136 M144	M132-S134 PolarHBondContact O-N 3.31Å; S134-E136 PolarHBondContact O-N 3.39Å; S134-M144 WeakPolarHBondContact OG-CE 3.42Å
135	V	42.4	Very low	51.4	Low	22 Å²	22	90.2 Å²	90.2	13%	0.133	47%	0.474	C	S	.	.			trans	-75.6	106.2	176.7	-177.6	0	0	0	0	108.6	C45 H56 I133	C45-V135 HydrophobicContact CB-CB 3.94Å; C45-V135 HydrophobicContact CB-CG1 4.07Å; C45-V135 HydrophobicContact CB-CG2 4Å; H56-V135 VanDerWaalsContact CE1-CG2 3.46Å; H56-V135 WeakPolarHBondContact CE1-CG2 3.27Å; I133-V135 HydrophobicContact CG2-CG2 3.42Å; I133-V135 VanDerWaalsContact CG2-CG2 3.42Å
136	E	32	Very low	51.3	Low	148 Å²	148	92.5 Å²	92.5	69%	0.692	48%	0.484	S	S	*	.			trans	-88.8	140.4	139.7	-74.6	-177.3	174.9	0	0	108.1	S134	S134-E136 PolarHBondContact O-N 3.39Å
137	N	29.9	Very low	51.7	Low	138 Å²	138	90.7 Å²	90.7	74%	0.738	47%	0.467	S	S	*	.			trans	-47.8	140	-166	-95.1	-50.5	0	0	0	115.1	D139	N137-D139 PolarHBondContact O-N 2.82Å; N137-D139 VanDerWaalsContact O-N 3.1Å
138	R	31	Very low	52.1	Low	146 Å²	146	92.2 Å²	92.2	55%	0.551	47%	0.472	S	S	*	.			trans	-66.8	104.1	179.2	-70.6	178.8	-174.9	179.4	1.6	111.1	T59 C60	T59-R138 PolarHBondContact OG1-NH2 2.98Å; C60-R138 PolarHBondContact SG-NH2 2.83Å
139	D	29.2	Very low	52.4	Low	144 Å²	144	93.5 Å²	93.5	77%	0.77	48%	0.48	S	S	*	.			trans	-138.3	113.3	141.6	-99.5	-35.7	0	0	0	109.1	N137	N137-D139 PolarHBondContact O-N 2.82Å; N137-D139 VanDerWaalsContact O-N 3.1Å
140	S	30.5	Very low	52.8	Low	105 Å²	105	93.2 Å²	93.2	73%	0.734	48%	0.477	S	S	*	.	S	Bend	trans	59.9	105.6	159.6	-52.9	0	0	0	0	119.3	K142	S140-K142 PolarHBondContact O-N 2.97Å
141	N	30.3	Very low	53.6	Low	178 Å²	178	99 Å²	99	95%	0.952	50%	0.501	S	S	*	.			trans	48.3	23.5	148.2	-93.8	-15.9	0	0	0	119	I143	N141-I143 PolarHBondContact O-N 3.21Å
142	K	33.9	Very low	54.8	Low	157 Å²	157	97.5 Å²	97.5	68%	0.683	49%	0.488	S	S	*	.			trans	-86.5	107.7	-175.4	-139.2	173.6	-175.3	-178.6	0	109.4	S140 M144 Y145	S140-K142 PolarHBondContact O-N 2.97Å; K142-M144 PolarHBondContact O-N 3.48Å; K142-Y145 HydrophobicContact CG-CD2 3.84Å; K142-Y145 HydrophobicContact CG-CE2 3.78Å
143	I	38.3	Very low	56.2	Low	120 Å²	120	95 Å²	95	62%	0.615	48%	0.477	S	S	*	.			trans	-42.9	126.6	155.7	-64	170.2	0	0	0	105.9	N141 Y145	N141-I143 PolarHBondContact O-N 3.21Å; I143-Y145 VanDerWaalsContact C-N 3.3Å; I143-Y145 HydrophobicContact CB-CE1 4.3Å; I143-Y145 HydrophobicContact CB-CE2 4.14Å; I143-Y145 HydrophobicContact CG2-CE1 4.37Å; I143-Y145 WeakPolarHBondContact O-CD2 3.43Å; I143-Y145 VanDerWaalsContact O-CE2 3.3Å; I143-Y145 WeakPolarHBondContact O-CE2 3.17Å; I143-Y145 PolarHBondContact O-N 3.11Å
144	M	41.9	Very low	58.1	Low	109 Å²	109	99.1 Å²	99.1	54%	0.537	50%	0.496	S	S	.	.			trans	-61.6	99.3	176.9	-105.3	-168	73.4	0	0	107.6	S134 K142 D146	S134-M144 WeakPolarHBondContact OG-CE 3.42Å; K142-M144 PolarHBondContact O-N 3.48Å; M144-D146 PolarHBondContact O-N 3.06Å
145	Y	59.4	Low	60.8	Low	94 Å²	94	101.7 Å²	101.7	37%	0.369	51%	0.514	S	S	.	.			trans	-83	110.1	-179.8	-68.6	-74.9	0	0	0	107.7	K142 I143 Y210	K142-Y145 HydrophobicContact CG-CD2 3.84Å; K142-Y145 HydrophobicContact CG-CE2 3.78Å; I143-Y145 VanDerWaalsContact C-N 3.3Å; I143-Y145 HydrophobicContact CB-CE1 4.3Å; I143-Y145 HydrophobicContact CB-CE2 4.14Å; I143-Y145 HydrophobicContact CG2-CE1 4.37Å; I143-Y145 WeakPolarHBondContact O-CD2 3.43Å; I143-Y145 VanDerWaalsContact O-CE2 3.3Å; I143-Y145 WeakPolarHBondContact O-CE2 3.17Å; I143-Y145 PolarHBondContact O-N 3.11Å; Y145-Y210 HydrophobicContact CD1-CE1 4.12Å; Y145-Y210 AromaticContact CD1-CZ 3.94Å; Y145-Y210 HydrophobicContact CD2-CE1 4.37Å; Y145-Y210 HydrophobicContact CG-CD1 4.26Å; Y145-Y210 AromaticContact CG-CE1 3.73Å; Y145-Y210 HydrophobicContact CG-CE1 3.73Å; Y145-Y210 HydrophobicContact CG-CE2 4.47Å; Y145-Y210 AromaticContact CG-CZ 3.88Å; Y145-Y210 VanDerWaalsContact O-CD2 3.29Å; Y145-Y210 WeakPolarHBondContact O-CD2 3.19Å
146	D	74.4	Confident	63.3	Low	82 Å²	82	105.6 Å²	105.6	44%	0.439	54%	0.538	S	S	.	.			trans	-119.7	170.1	175.8	-146.9	3.5	0	0	0	110.2	M144 I148 K212	M144-D146 PolarHBondContact O-N 3.06Å; D146-I148 PolarHBondContact O-N 3.05Å; D146-K212 IonicContact OD1-NZ 3.89Å; D146-K212 PolarHBondContact OD1-NZ 3.06Å; D146-K212 IonicContact OD2-NZ 3.29Å
147	F	80.8	Confident	66.2	Low	33 Å²	33	100.5 Å²	100.5	15%	0.145	52%	0.515	C	S	.	.			trans	-67.9	125.8	172.4	-62.6	-73	0	0	0	110.4	V149 F207 M209 K212 I214 L222	F147-V149 HydrophobicContact CB-CG2 4.15Å; F147-F207 HydrophobicContact CE1-CD1 4.02Å; F147-M209 HydrophobicContact CD1-CE 3.69Å; F147-M209 HydrophobicContact CE1-CB 3.68Å; F147-M209 HydrophobicContact CE1-CE 3.88Å; F147-M209 HydrophobicContact CZ-CB 4.17Å; F147-K212 HydrophobicContact CE2-CB 3.57Å; F147-K212 HydrophobicContact CZ-CB 4.11Å; F147-I214 HydrophobicContact CB-CD1 4.46Å; F147-I214 HydrophobicContact CD1-CG2 3.89Å; F147-I214 HydrophobicContact CD2-CB 4.12Å; F147-I214 HydrophobicContact CD2-CD1 4.49Å; F147-I214 HydrophobicContact CD2-CG2 4.12Å; F147-I214 HydrophobicContact CE1-CG2 3.77Å; F147-I214 HydrophobicContact CE2-CB 3.99Å; F147-I214 HydrophobicContact CE2-CG2 3.99Å; F147-I214 HydrophobicContact CG-CB 4.49Å; F147-I214 HydrophobicContact CG-CG2 4.06Å; F147-I214 HydrophobicContact CZ-CB 4.27Å; F147-I214 HydrophobicContact CZ-CG2 3.83Å; F147-L222 HydrophobicContact CB-CD1 4.01Å; F147-L222 HydrophobicContact CD1-CD1 3.75Å; F147-L222 HydrophobicContact CD1-CD2 4.2Å; F147-L222 HydrophobicContact CG-CD1 4.36Å
148	I	85.7	Confident	69.3	Low	91 Å²	91	95.3 Å²	95.3	47%	0.467	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	100.1	167.4	-57.4	176.2	0	0	0	107.1	D146 E223	D146-I148 PolarHBondContact O-N 3.05Å; I148-E223 HydrophobicContact CB-CB 4.2Å; I148-E223 HydrophobicContact CB-CG 4.41Å; I148-E223 HydrophobicContact CG2-CG 4.29Å; I148-E223 PolarHBondContact O-N 3.39Å
149	V	85.9	Confident	72.5	Confident	34 Å²	34	95 Å²	95	21%	0.206	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	178.5	-174.6	0	0	0	0	109.4	F147 I214 L216 D220 L222	F147-V149 HydrophobicContact CB-CG2 4.15Å; V149-I214 HydrophobicContact CG2-CD1 3.93Å; V149-L216 HydrophobicContact CG1-CD2 4.26Å; V149-L216 HydrophobicContact CG2-CD2 4.02Å; V149-D220 HydrophobicContact CG1-CB 3.89Å; V149-L222 HydrophobicContact CG2-CD1 3.84Å
150	H	90.5	Very high	75.7	Confident	71 Å²	71	89.8 Å²	89.8	33%	0.329	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.6	170.2	-57.3	-90.2	0	0	0	109.2	D220 R221 E223	H150-D220 CarbonylContact O-C 3.39Å; H150-D220 WeakPolarHBondContact O-CA 2.89Å; H150-R221 HydrophobicContact CB-CB 4.33Å; H150-R221 PolarHBondContact N-O 3.35Å; H150-R221 PolarHBondContact O-N 3.11Å; H150-E223 IonicContact CD2-OE1 2.95Å; H150-E223 IonicContact CE1-OE1 3.99Å; H150-E223 IonicContact NE2-OE1 3.36Å; H150-E223 PolarHBondContact NE2-OE1 3.41Å
151	H	91.1	Very high	78.9	Confident	133 Å²	133	86.6 Å²	86.6	62%	0.616	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-97.2	143.2	176.3	-59.6	-63	0	0	0	111.3	D220	H151-D220 IonicContact CE1-OD1 2.69Å; H151-D220 PolarHBondContact CE1-OD1 3.27Å; H151-D220 VanDerWaalsContact CE1-OD1 3.29Å; H151-D220 IonicContact CG-OD1 2.9Å; H151-D220 IonicContact ND1-OD1 2.77Å; H151-D220 PolarHBondContact ND1-OD1 3.08Å
152	W	91.9	Very high	82.1	Confident	30 Å²	30	80.7 Å²	80.7	11%	0.114	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-62	135.6	176.1	-168.4	-97.9	0	0	0	111.3	D157 G158 L160 N164 M165 K168 G219	W152-D157 HydrophobicContact CD2-CB 4.33Å; W152-D157 HydrophobicContact CH2-CB 3.85Å; W152-D157 HydrophobicContact CZ2-CB 3.37Å; W152-G158 PolarHBondContact NE1-O 2.8Å; W152-L160 HydrophobicContact CB-CD1 4.39Å; W152-L160 HydrophobicContact CD2-CD1 3.73Å; W152-L160 HydrophobicContact CE3-CD1 4.09Å; W152-L160 HydrophobicContact CG-CB 4.33Å; W152-L160 HydrophobicContact CG-CD1 3.87Å; W152-N164 HydrophobicContact CH2-CB 4.18Å; W152-N164 HydrophobicContact CZ2-CB 3.88Å; W152-M165 HydrophobicContact CD2-CE 4.32Å; W152-M165 HydrophobicContact CE3-CE 3.41Å; W152-M165 VanDerWaalsContact CE3-CE 3.41Å; W152-M165 HydrophobicContact CH2-CB 4.23Å; W152-M165 HydrophobicContact CZ3-CB 4.08Å; W152-M165 HydrophobicContact CZ3-CE 3.62Å; W152-M165 HydrophobicContact CZ3-CG 4.27Å; W152-K168 HydrophobicContact CE3-CD 4.31Å; W152-K168 HydrophobicContact CH2-CB 4.11Å; W152-K168 HydrophobicContact CH2-CD 3.92Å; W152-K168 HydrophobicContact CZ3-CB 4.27Å; W152-K168 HydrophobicContact CZ3-CD 3.55Å; W152-G219 WeakPolarHBondContact CB-O 3.44Å; W152-G219 PolarHBondContact N-O 3.15Å
153	N	91.4	Very high	85.2	Confident	73 Å²	73	80.5 Å²	80.5	39%	0.39	42%	0.417	S	S	.	.			trans	-112	98	177.7	-175.3	-18	0	0	0	110.1	S155 V156 D157	N153-S155 PolarHBondContact O-N 2.76Å; N153-S155 WeakPolarHBondContact OD1-CB 3.26Å; N153-S155 PolarHBondContact OD1-N 2.98Å; N153-S155 VanDerWaalsContact OD1-N 3.08Å; N153-S155 PolarHBondContact OD1-OG 2.76Å; N153-V156 HydrophobicContact CB-CB 4.38Å; N153-V156 WeakPolarHBondContact ND2-CG2 3.25Å; N153-V156 PolarHBondContact O-N 3.49Å; N153-V156 VanDerWaalsContact O-N 3.09Å; N153-V156 PolarHBondContact OD1-N 2.86Å; N153-D157 WeakPolarHBondContact O-CB 3.22Å; N153-D157 PolarHBondContact O-N 3.18Å
154	E	93.1	Very high	88	Confident	120 Å²	120	76.9 Å²	76.9	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-62.9	-25	-177.4	-65.7	-164.5	153.6	0	0	114.1	V156 G158	E154-V156 VanDerWaalsContact C-N 3.29Å; E154-V156 PolarHBondContact O-N 3.36Å; E154-G158 VanDerWaalsContact CA-O 3.32Å; E154-G158 WeakPolarHBondContact CA-O 3.14Å; E154-G158 CarbonylContact O-C 3.56Å; E154-G158 WeakPolarHBondContact O-CA 3.44Å; E154-G158 PolarHBondContact O-N 3.25Å; E154-G158 VanDerWaalsContact O-N 3.08Å
155	S	93.8	Very high	90.7	Very high	108 Å²	108	71.7 Å²	71.7	76%	0.755	37%	0.373	S	S	*	.	H	α-helix	trans	-72.1	-24.7	177.8	72	0	0	0	0	113.2	N153	N153-S155 PolarHBondContact O-N 2.76Å; N153-S155 WeakPolarHBondContact OD1-CB 3.26Å; N153-S155 PolarHBondContact OD1-N 2.98Å; N153-S155 VanDerWaalsContact OD1-N 3.08Å; N153-S155 PolarHBondContact OD1-OG 2.76Å
156	V	93.6	Very high	92.5	Very high	104 Å²	104	68.8 Å²	68.8	63%	0.63	36%	0.364	S	S	*	.	H	α-helix	trans	-104.3	-44.7	-178.3	177.4	0	0	0	0	111	N153 E154	N153-V156 HydrophobicContact CB-CB 4.38Å; N153-V156 WeakPolarHBondContact ND2-CG2 3.25Å; N153-V156 PolarHBondContact O-N 3.49Å; N153-V156 VanDerWaalsContact O-N 3.09Å; N153-V156 PolarHBondContact OD1-N 2.86Å; E154-V156 VanDerWaalsContact C-N 3.29Å; E154-V156 PolarHBondContact O-N 3.36Å
157	D	92.9	Very high	93.6	Very high	40 Å²	40	72.1 Å²	72.1	21%	0.214	37%	0.374	C	S	.	.	H	α-helix	trans	-99.9	-2.3	-171.2	-60.3	-50.5	0	0	0	113.2	W152 N153 K168	W152-D157 HydrophobicContact CD2-CB 4.33Å; W152-D157 HydrophobicContact CH2-CB 3.85Å; W152-D157 HydrophobicContact CZ2-CB 3.37Å; N153-D157 WeakPolarHBondContact O-CB 3.22Å; N153-D157 PolarHBondContact O-N 3.18Å; D157-K168 IonicContact OD1-NZ 2.71Å; D157-K168 PolarHBondContact OD1-NZ 3.34Å; D157-K168 WeakPolarHBondContact OD2-CE 3.31Å; D157-K168 IonicContact OD2-NZ 2.88Å; D157-K168 PolarHBondContact OD2-NZ 2.83Å
158	G	95.8	Very high	94.3	Very high	29 Å²	29	72.3 Å²	72.3	30%	0.299	38%	0.375	S	S	.	.			trans	74.3	-171.9	-175.2	0	0	0	0	0	113	W152 E154 L160	W152-G158 PolarHBondContact NE1-O 2.8Å; E154-G158 VanDerWaalsContact CA-O 3.32Å; E154-G158 WeakPolarHBondContact CA-O 3.14Å; E154-G158 CarbonylContact O-C 3.56Å; E154-G158 WeakPolarHBondContact O-CA 3.44Å; E154-G158 PolarHBondContact O-N 3.25Å; E154-G158 VanDerWaalsContact O-N 3.08Å; G158-L160 PolarHBondContact O-N 3.49Å
159	Q	97.4	Very high	94.8	Very high	140 Å²	140	68 Å²	68	65%	0.654	35%	0.353	S	S	*	.	S	Bend	trans	-54.3	136.6	-179.9	-178.1	179.3	68.1	0	0	111.4	T161 N164	Q159-T161 HydrophobicContact CB-CG2 4.46Å; Q159-T161 HydrophobicContact CG-CG2 4.09Å; Q159-T161 PolarHBondContact O-N 3.42Å; Q159-N164 PolarHBondContact O-ND2 3.41Å
160	L	97.7	Very high	95.2	Very high	35 Å²	35	72.8 Å²	72.8	18%	0.183	37%	0.371	C	S	.	.			trans	-63.8	107.7	173	178.8	64.6	0	0	0	110.4	W152 G158 M165 P218 G219	W152-L160 HydrophobicContact CB-CD1 4.39Å; W152-L160 HydrophobicContact CD2-CD1 3.73Å; W152-L160 HydrophobicContact CE3-CD1 4.09Å; W152-L160 HydrophobicContact CG-CB 4.33Å; W152-L160 HydrophobicContact CG-CD1 3.87Å; G158-L160 PolarHBondContact O-N 3.49Å; L160-M165 HydrophobicContact CD1-CE 3.63Å; L160-P218 HydrophobicContact CD2-CB 3.7Å; L160-G219 VanDerWaalsContact CD2-N 3.26Å
161	T	97.7	Very high	95.4	Very high	38 Å²	38	74.1 Å²	74.1	23%	0.233	39%	0.389	C	S	.	.			trans	-138.1	158	173.1	66.3	0	0	0	0	109.3	Q159 E163 N164 M165	Q159-T161 HydrophobicContact CB-CG2 4.46Å; Q159-T161 HydrophobicContact CG-CG2 4.09Å; Q159-T161 PolarHBondContact O-N 3.42Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-N164 PolarHBondContact O-N 3.4Å; T161-N164 WeakPolarHBondContact OG1-CB 3.46Å; T161-N164 PolarHBondContact OG1-N 3.03Å; T161-N164 VanDerWaalsContact OG1-N 3.1Å; T161-N164 PolarHBondContact OG1-ND2 2.87Å; T161-M165 WeakPolarHBondContact O-CB 3.38Å; T161-M165 PolarHBondContact O-N 3.27Å
162	L	97.8	Very high	95.5	Very high	53 Å²	53	71.3 Å²	71.3	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-56.6	-37.7	174.3	176.9	61.8	0	0	0	111.4	L166 K178 V201 V241 V243	L162-L166 HydrophobicContact CD1-CD1 3.92Å; L162-L166 HydrophobicContact CD1-CG 4.05Å; L162-L166 HydrophobicContact CG-CD1 3.91Å; L162-L166 HydrophobicContact CG-CG 4.45Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 WeakPolarHBondContact O-CG 3.43Å; L162-L166 PolarHBondContact O-N 3.2Å; L162-K178 HydrophobicContact CD1-CB 4.43Å; L162-K178 HydrophobicContact CD2-CD 4.17Å; L162-V201 HydrophobicContact CB-CG1 4.19Å; L162-V201 HydrophobicContact CB-CG2 4.45Å; L162-V201 HydrophobicContact CD1-CG2 4.02Å; L162-V241 HydrophobicContact CD1-CG1 4.39Å; L162-V243 HydrophobicContact CD1-CG2 3.57Å
163	E	97.7	Very high	95.5	Very high	153 Å²	153	72.6 Å²	72.6	72%	0.715	40%	0.398	S	S	*	.	H	α-helix	trans	-63.8	-50.7	178.5	-175.9	174.9	179.3	0	0	111.8	T161 M165 L166 K167	T161-E163 PolarHBondContact O-N 2.91Å; E163-M165 PolarHBondContact O-N 3.4Å; E163-L166 PolarHBondContact O-N 3.25Å; E163-K167 WeakPolarHBondContact O-CB 3.35Å; E163-K167 PolarHBondContact O-N 3.4Å
164	N	97.8	Very high	95.6	Very high	45 Å²	45	69.6 Å²	69.6	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-65.8	-39.1	179.8	-72.2	-21	0	0	0	111.9	W152 Q159 T161 K167 K168	W152-N164 HydrophobicContact CH2-CB 4.18Å; W152-N164 HydrophobicContact CZ2-CB 3.88Å; Q159-N164 PolarHBondContact O-ND2 3.41Å; T161-N164 PolarHBondContact O-N 3.4Å; T161-N164 WeakPolarHBondContact OG1-CB 3.46Å; T161-N164 PolarHBondContact OG1-N 3.03Å; T161-N164 VanDerWaalsContact OG1-N 3.1Å; T161-N164 PolarHBondContact OG1-ND2 2.87Å; N164-K167 PolarHBondContact O-N 3.43Å; N164-K168 WeakPolarHBondContact O-CB 3.46Å; N164-K168 PolarHBondContact O-N 3.01Å
165	M	97.9	Very high	95.7	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-47.1	176	-176.8	153.7	-78.1	0	0	112	W152 L160 T161 E163 K167 K168 L169 C199 V201 R221	W152-M165 HydrophobicContact CD2-CE 4.32Å; W152-M165 HydrophobicContact CE3-CE 3.41Å; W152-M165 VanDerWaalsContact CE3-CE 3.41Å; W152-M165 HydrophobicContact CH2-CB 4.23Å; W152-M165 HydrophobicContact CZ3-CB 4.08Å; W152-M165 HydrophobicContact CZ3-CE 3.62Å; W152-M165 HydrophobicContact CZ3-CG 4.27Å; L160-M165 HydrophobicContact CD1-CE 3.63Å; T161-M165 WeakPolarHBondContact O-CB 3.38Å; T161-M165 PolarHBondContact O-N 3.27Å; E163-M165 PolarHBondContact O-N 3.4Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.42Å; M165-K168 PolarHBondContact O-N 2.93Å; M165-L169 HydrophobicContact CG-CD1 3.85Å; M165-L169 WeakPolarHBondContact O-CG 3.33Å; M165-L169 PolarHBondContact O-N 3.44Å; M165-C199 HydrophobicContact CE-CB 4.44Å; M165-C199 HydrophobicContact CG-CB 4.4Å; M165-C199 HydrophobicContact SD-CB 3.55Å; M165-C199 VanDerWaalsContact SD-CB 3.55Å; M165-V201 HydrophobicContact CB-CG2 4.36Å; M165-V201 HydrophobicContact CG-CG2 4.44Å; M165-V201 HydrophobicContact SD-CG2 3.62Å; M165-R221 HydrophobicContact CE-CG 4.24Å
166	L	97.6	Very high	95.8	Very high	33 Å²	33	64.1 Å²	64.1	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-39.5	175.3	-72.8	170.8	0	0	0	111.9	L162 E163 K170 C176 V243	L162-L166 HydrophobicContact CD1-CD1 3.92Å; L162-L166 HydrophobicContact CD1-CG 4.05Å; L162-L166 HydrophobicContact CG-CD1 3.91Å; L162-L166 HydrophobicContact CG-CG 4.45Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 WeakPolarHBondContact O-CG 3.43Å; L162-L166 PolarHBondContact O-N 3.2Å; E163-L166 PolarHBondContact O-N 3.25Å; L166-K170 WeakPolarHBondContact O-CB 3.47Å; L166-K170 WeakPolarHBondContact O-CG 3.43Å; L166-K170 PolarHBondContact O-N 3.35Å; L166-C176 HydrophobicContact CD2-CB 3.65Å; L166-V243 HydrophobicContact CD2-CG1 3.82Å; L166-V243 HydrophobicContact CD2-CG2 4.14Å
167	K	96.9	Very high	95.9	Very high	152 Å²	152	63.7 Å²	63.7	66%	0.661	35%	0.35	S	S	*	.	H	α-helix	trans	-62.1	-46.1	177.1	-174.3	-179.1	178.2	-176.1	0	111.2	E163 N164 M165 S171	E163-K167 WeakPolarHBondContact O-CB 3.35Å; E163-K167 PolarHBondContact O-N 3.4Å; N164-K167 PolarHBondContact O-N 3.43Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.42Å; K167-S171 PolarHBondContact O-N 2.97Å
168	K	96.2	Very high	96.1	Very high	36 Å²	36	68.2 Å²	68.2	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-60.9	-54.2	177.5	-174.5	-178.6	-178.8	73.9	0	111.4	W152 D157 N164 M165 K170 S171 E172 R221	W152-K168 HydrophobicContact CE3-CD 4.31Å; W152-K168 HydrophobicContact CH2-CB 4.11Å; W152-K168 HydrophobicContact CH2-CD 3.92Å; W152-K168 HydrophobicContact CZ3-CB 4.27Å; W152-K168 HydrophobicContact CZ3-CD 3.55Å; D157-K168 IonicContact OD1-NZ 2.71Å; D157-K168 PolarHBondContact OD1-NZ 3.34Å; D157-K168 WeakPolarHBondContact OD2-CE 3.31Å; D157-K168 IonicContact OD2-NZ 2.88Å; D157-K168 PolarHBondContact OD2-NZ 2.83Å; N164-K168 WeakPolarHBondContact O-CB 3.46Å; N164-K168 PolarHBondContact O-N 3.01Å; M165-K168 PolarHBondContact O-N 2.93Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 3.03Å; K168-S171 WeakPolarHBondContact O-CA 3.49Å; K168-S171 WeakPolarHBondContact O-CB 3.18Å; K168-S171 PolarHBondContact O-N 2.74Å; K168-S171 PolarHBondContact O-OG 3.32Å; K168-E172 VanDerWaalsContact CE-OE1 3.25Å; K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 IonicContact NZ-OE1 3.3Å; K168-E172 WeakPolarHBondContact O-CG 3.12Å; K168-E172 PolarHBondContact O-N 3.12Å; K168-R221 VanDerWaalsContact CE-CZ 3.43Å; K168-R221 VanDerWaalsContact CE-NH2 3.25Å
169	L	95.3	Very high	96.2	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-39.4	-178.3	-68.8	165.3	0	0	0	112.4	M165 E172 G173 C174 C176 L197 C199 V243 A245	M165-L169 HydrophobicContact CG-CD1 3.85Å; M165-L169 WeakPolarHBondContact O-CG 3.33Å; M165-L169 PolarHBondContact O-N 3.44Å; L169-E172 CarbonylContact O-C 3.58Å; L169-E172 PolarHBondContact O-N 2.95Å; L169-G173 PolarHBondContact O-N 2.87Å; L169-C174 HydrophobicContact CB-CB 4.32Å; L169-C174 WeakPolarHBondContact O-CB 3.48Å; L169-C174 PolarHBondContact O-N 2.85Å; L169-C176 VanDerWaalsContact CB-SG 3.53Å; L169-L197 HydrophobicContact CD2-CD1 4.33Å; L169-C199 HydrophobicContact CD1-CB 4.35Å; L169-V243 HydrophobicContact CD1-CB 4.26Å; L169-V243 HydrophobicContact CD1-CG1 3.76Å; L169-A245 HydrophobicContact CD1-CB 4.07Å; L169-A245 HydrophobicContact CD2-CB 4.04Å; L169-A245 HydrophobicContact CG-CB 4.49Å
170	K	95.2	Very high	96.2	Very high	135 Å²	135	71.9 Å²	71.9	59%	0.587	37%	0.372	S	S	*	.	H	α-helix	trans	-64.4	-40	173.5	-74.4	175.1	-178.9	-177	0	112.5	L166 K168 E172 G173	L166-K170 WeakPolarHBondContact O-CB 3.47Å; L166-K170 WeakPolarHBondContact O-CG 3.43Å; L166-K170 PolarHBondContact O-N 3.35Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 3.03Å; K170-E172 PolarHBondContact O-N 3.05Å; K170-G173 PolarHBondContact O-N 3.38Å
171	S	94.6	Very high	96.3	Very high	100 Å²	100	72.4 Å²	72.4	70%	0.699	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-26.4	175.6	74.1	0	0	0	0	112.9	K167 K168 G173	K167-S171 PolarHBondContact O-N 2.97Å; K168-S171 WeakPolarHBondContact O-CA 3.49Å; K168-S171 WeakPolarHBondContact O-CB 3.18Å; K168-S171 PolarHBondContact O-N 2.74Å; K168-S171 PolarHBondContact O-OG 3.32Å; S171-G173 PolarHBondContact O-N 2.78Å
172	E	92.6	Very high	96.3	Very high	74 Å²	74	75 Å²	75	35%	0.346	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	2.3	172.1	-65.5	169.2	172.8	0	0	112.7	K168 L169 K170 R221	K168-E172 VanDerWaalsContact CE-OE1 3.25Å; K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 IonicContact NZ-OE1 3.3Å; K168-E172 WeakPolarHBondContact O-CG 3.12Å; K168-E172 PolarHBondContact O-N 3.12Å; L169-E172 CarbonylContact O-C 3.58Å; L169-E172 PolarHBondContact O-N 2.95Å; K170-E172 PolarHBondContact O-N 3.05Å; E172-R221 IonicContact OE1-CZ 3.57Å; E172-R221 IonicContact OE1-NH1 2.96Å; E172-R221 PolarHBondContact OE1-NH1 3.3Å; E172-R221 IonicContact OE1-NH2 2.93Å; E172-R221 IonicContact OE2-NH1 2.98Å; E172-R221 PolarHBondContact OE2-NH1 3.39Å
173	G	93.1	Very high	96.3	Very high	57 Å²	57	75 Å²	75	59%	0.588	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	16.4	177.3	0	0	0	0	0	115	L169 K170 S171	L169-G173 PolarHBondContact O-N 2.87Å; K170-G173 PolarHBondContact O-N 3.38Å; S171-G173 PolarHBondContact O-N 2.78Å
174	C	92.6	Very high	96.2	Very high	10 Å²	10	70.3 Å²	70.3	7%	0.068	39%	0.385	C	S	.	.			trans	-84.8	146.6	179.9	-58	0	0	0	0	112.2	L169 A245 T246	L169-C174 HydrophobicContact CB-CB 4.32Å; L169-C174 WeakPolarHBondContact O-CB 3.48Å; L169-C174 PolarHBondContact O-N 2.85Å; C174-A245 HydrophobicContact CB-CB 4.07Å; C174-T246 WeakPolarHBondContact CA-O 3.34Å
175	S	95.4	Very high	96.2	Very high	78 Å²	78	69.9 Å²	69.9	55%	0.545	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.9	161.9	-66.8	0	0	0	0	108.7	A245 T246	S175-A245 CarbonylContact O-C 3.57Å; S175-A245 VanDerWaalsContact O-CA 3.24Å; S175-A245 WeakPolarHBondContact O-CA 3.47Å; S175-T246 PolarHBondContact N-O 2.89Å; S175-T246 PolarHBondContact O-N 2.57Å
176	C	96.5	Very high	96.1	Very high	35 Å²	35	74.4 Å²	74.4	24%	0.236	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.6	-171.4	-53.6	0	0	0	0	112.2	L166 L169 V243 D244	L166-C176 HydrophobicContact CD2-CB 3.65Å; L169-C176 VanDerWaalsContact CB-SG 3.53Å; C176-V243 HydrophobicContact CB-CG1 3.82Å; C176-D244 CarbonylContact C-O 3.55Å; C176-D244 WeakPolarHBondContact CA-O 3.38Å
177	I	96.2	Very high	96	Very high	94 Å²	94	75.4 Å²	75.4	48%	0.482	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.8	169.2	-52.1	176.7	0	0	0	108.4	Y179 V243 D244	I177-Y179 HydrophobicContact CB-CE2 3.93Å; I177-Y179 HydrophobicContact CG2-CD2 4.21Å; I177-Y179 HydrophobicContact CG2-CE1 4.27Å; I177-Y179 HydrophobicContact CG2-CE2 3.48Å; I177-Y179 VanDerWaalsContact CG2-CE2 3.48Å; I177-V243 CarbonylContact O-C 3.54Å; I177-V243 WeakPolarHBondContact O-CA 3.21Å; I177-D244 HydrophobicContact CB-CB 4.48Å; I177-D244 PolarHBondContact N-O 2.95Å; I177-D244 PolarHBondContact O-N 3.5Å
178	K	97.2	Very high	95.9	Very high	136 Å²	136	72.4 Å²	72.4	59%	0.591	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.3	178.5	63.9	-176.6	179.3	-178.2	0	110.4	L162 F242	L162-K178 HydrophobicContact CD1-CB 4.43Å; L162-K178 HydrophobicContact CD2-CD 4.17Å; K178-F242 WeakPolarHBondContact CA-O 3.47Å
179	Y	97.5	Very high	95.8	Very high	98 Å²	98	77.6 Å²	77.6	38%	0.384	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.3	171.5	-61.5	-84.9	0	0	0	111.4	I177 F181 F242 D244	I177-Y179 HydrophobicContact CB-CE2 3.93Å; I177-Y179 HydrophobicContact CG2-CD2 4.21Å; I177-Y179 HydrophobicContact CG2-CE1 4.27Å; I177-Y179 HydrophobicContact CG2-CE2 3.48Å; I177-Y179 VanDerWaalsContact CG2-CE2 3.48Å; Y179-F181 VanDerWaalsContact CB-CZ 3.47Å; Y179-F181 HydrophobicContact CD1-CE1 4.47Å; Y179-F181 AromaticContact CD1-CZ 3.91Å; Y179-F181 HydrophobicContact CD1-CZ 3.91Å; Y179-F181 HydrophobicContact CD2-CZ 4.43Å; Y179-F181 AromaticContact CG-CE2 3.96Å; Y179-F181 HydrophobicContact CG-CE2 3.96Å; Y179-F181 AromaticContact CG-CZ 3.7Å; Y179-F181 HydrophobicContact CG-CZ 3.7Å; Y179-F242 AromaticContact CD2-CD1 3.83Å; Y179-F242 HydrophobicContact CD2-CD1 3.83Å; Y179-F242 AromaticContact CD2-CE1 3.84Å; Y179-F242 HydrophobicContact CD2-CE1 3.84Å; Y179-F242 HydrophobicContact CG-CD1 4.4Å; Y179-F242 PolarHBondContact N-O 3.13Å; Y179-F242 PolarHBondContact O-N 2.95Å; Y179-D244 HydrophobicContact CD2-CB 4.47Å; Y179-D244 HydrophobicContact CE2-CB 4.14Å
180	K	97.9	Very high	95.6	Very high	148 Å²	148	81.6 Å²	81.6	64%	0.643	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.7	168	-172.4	175.6	-177.5	178.1	0	108.6	P239 L240 V241	K180-P239 HydrophobicContact CG-CB 4.36Å; K180-L240 CarbonylContact C-O 3.44Å; K180-L240 VanDerWaalsContact CA-O 3.22Å; K180-L240 WeakPolarHBondContact CA-O 3.4Å; K180-V241 HydrophobicContact CD-CG2 4.37Å; K180-V241 HydrophobicContact CG-CG2 4.21Å
181	F	97.8	Very high	95.2	Very high	46 Å²	46	78.8 Å²	78.8	20%	0.202	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149	-178.3	-59	-69.9	0	0	0	110.9	Y179 T185 F187 V234 P239 L240 F242	Y179-F181 VanDerWaalsContact CB-CZ 3.47Å; Y179-F181 HydrophobicContact CD1-CE1 4.47Å; Y179-F181 AromaticContact CD1-CZ 3.91Å; Y179-F181 HydrophobicContact CD1-CZ 3.91Å; Y179-F181 HydrophobicContact CD2-CZ 4.43Å; Y179-F181 AromaticContact CG-CE2 3.96Å; Y179-F181 HydrophobicContact CG-CE2 3.96Å; Y179-F181 AromaticContact CG-CZ 3.7Å; Y179-F181 HydrophobicContact CG-CZ 3.7Å; F181-T185 HydrophobicContact CB-CG2 4.31Å; F181-T185 HydrophobicContact CD1-CG2 4.18Å; F181-T185 HydrophobicContact CG-CG2 4.46Å; F181-F187 HydrophobicContact CB-CZ 4.45Å; F181-F187 HydrophobicContact CD1-CE1 4.26Å; F181-F187 AromaticContact CD1-CZ 3.67Å; F181-F187 HydrophobicContact CD1-CZ 3.67Å; F181-F187 HydrophobicContact CD2-CE2 4.28Å; F181-F187 AromaticContact CD2-CZ 3.62Å; F181-F187 HydrophobicContact CD2-CZ 3.62Å; F181-F187 AromaticContact CE1-CE1 3.81Å; F181-F187 HydrophobicContact CE1-CE1 3.81Å; F181-F187 AromaticContact CE1-CZ 3.63Å; F181-F187 HydrophobicContact CE1-CZ 3.63Å; F181-F187 HydrophobicContact CE2-CE1 4.15Å; F181-F187 HydrophobicContact CE2-CE2 4.46Å; F181-F187 AromaticContact CE2-CZ 3.56Å; F181-F187 HydrophobicContact CE2-CZ 3.56Å; F181-F187 HydrophobicContact CG-CE2 4.41Å; F181-F187 AromaticContact CG-CZ 3.66Å; F181-F187 HydrophobicContact CG-CZ 3.66Å; F181-F187 AromaticContact CZ-CE1 3.74Å; F181-F187 HydrophobicContact CZ-CE1 3.74Å; F181-F187 AromaticContact CZ-CZ 3.57Å; F181-F187 HydrophobicContact CZ-CZ 3.57Å; F181-V234 HydrophobicContact CB-CG2 3.83Å; F181-P239 CarbonylContact O-C 3.43Å; F181-P239 VanDerWaalsContact O-CA 3.31Å; F181-P239 WeakPolarHBondContact O-CA 3.25Å; F181-L240 HydrophobicContact CB-CB 4.35Å; F181-L240 HydrophobicContact CD2-CD2 4.33Å; F181-L240 PolarHBondContact N-O 3.13Å; F181-L240 PolarHBondContact O-N 2.95Å; F181-F242 HydrophobicContact CE2-CD1 4.14Å
182	T	97.8	Very high	94.8	Very high	92 Å²	92	76 Å²	76	56%	0.564	42%	0.421	S	S	*	.			trans	-80.7	154.6	177.2	46.3	0	0	0	0	111.1	G184 T185 V234	T182-G184 PolarHBondContact O-N 3.46Å; T182-T185 WeakPolarHBondContact O-CB 3.45Å; T182-T185 PolarHBondContact O-N 3.33Å; T182-T185 VanDerWaalsContact O-N 3.17Å; T182-T185 PolarHBondContact O-OG1 2.87Å; T182-T185 PolarHBondContact OG1-OG1 3.21Å; T182-T185 VanDerWaalsContact OG1-OG1 3.09Å; T182-V234 WeakPolarHBondContact O-CB 3.37Å
183	P	97.7	Very high	94.6	Very high	53 Å²	53	78 Å²	78	34%	0.344	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	138.5	169.6	-28.3	36.5	0	0	0	112.7	T185 K237	P183-T185 VanDerWaalsContact C-N 3.26Å; P183-T185 PolarHBondContact O-N 3.29Å; P183-K237 WeakPolarHBondContact CG-O 3.47Å
184	G	96.4	Very high	94.4	Very high	55 Å²	55	77.9 Å²	77.9	57%	0.567	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-4.9	-179.4	0	0	0	0	0	115.2	T182 N186 V234	T182-G184 PolarHBondContact O-N 3.46Å; G184-N186 PolarHBondContact O-N 2.85Å; G184-V234 WeakPolarHBondContact CA-O 3.42Å; G184-V234 PolarHBondContact N-O 2.97Å
185	T	97.9	Very high	94.2	Very high	36 Å²	36	79 Å²	79	22%	0.221	42%	0.423	C	S	.	.			trans	-57.4	127.8	170.1	-63.3	0	0	0	0	109.4	F181 T182 P183 F187 R233 V234	F181-T185 HydrophobicContact CB-CG2 4.31Å; F181-T185 HydrophobicContact CD1-CG2 4.18Å; F181-T185 HydrophobicContact CG-CG2 4.46Å; T182-T185 WeakPolarHBondContact O-CB 3.45Å; T182-T185 PolarHBondContact O-N 3.33Å; T182-T185 VanDerWaalsContact O-N 3.17Å; T182-T185 PolarHBondContact O-OG1 2.87Å; T182-T185 PolarHBondContact OG1-OG1 3.21Å; T182-T185 VanDerWaalsContact OG1-OG1 3.09Å; P183-T185 VanDerWaalsContact C-N 3.26Å; P183-T185 PolarHBondContact O-N 3.29Å; T185-F187 HydrophobicContact CG2-CE1 4.18Å; T185-F187 HydrophobicContact CG2-CE2 3.85Å; T185-F187 HydrophobicContact CG2-CZ 3.6Å; T185-R233 WeakPolarHBondContact O-CA 3.45Å; T185-V234 PolarHBondContact O-N 3.01Å
186	N	96.7	Very high	94	Very high	95 Å²	95	76.2 Å²	76.2	51%	0.508	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.9	-176.9	-167.9	58.9	0	0	0	109.9	G184	G184-N186 PolarHBondContact O-N 2.85Å
187	F	95	Very high	93.8	Very high	53 Å²	53	75.8 Å²	75.8	23%	0.232	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	103.3	175.6	-56.5	-83.2	0	0	0	107.3	F181 T185 L205 S231 A232 V234	F181-F187 HydrophobicContact CB-CZ 4.45Å; F181-F187 HydrophobicContact CD1-CE1 4.26Å; F181-F187 AromaticContact CD1-CZ 3.67Å; F181-F187 HydrophobicContact CD1-CZ 3.67Å; F181-F187 HydrophobicContact CD2-CE2 4.28Å; F181-F187 AromaticContact CD2-CZ 3.62Å; F181-F187 HydrophobicContact CD2-CZ 3.62Å; F181-F187 AromaticContact CE1-CE1 3.81Å; F181-F187 HydrophobicContact CE1-CE1 3.81Å; F181-F187 AromaticContact CE1-CZ 3.63Å; F181-F187 HydrophobicContact CE1-CZ 3.63Å; F181-F187 HydrophobicContact CE2-CE1 4.15Å; F181-F187 HydrophobicContact CE2-CE2 4.46Å; F181-F187 AromaticContact CE2-CZ 3.56Å; F181-F187 HydrophobicContact CE2-CZ 3.56Å; F181-F187 HydrophobicContact CG-CE2 4.41Å; F181-F187 AromaticContact CG-CZ 3.66Å; F181-F187 HydrophobicContact CG-CZ 3.66Å; F181-F187 AromaticContact CZ-CE1 3.74Å; F181-F187 HydrophobicContact CZ-CE1 3.74Å; F181-F187 AromaticContact CZ-CZ 3.57Å; F181-F187 HydrophobicContact CZ-CZ 3.57Å; T185-F187 HydrophobicContact CG2-CE1 4.18Å; T185-F187 HydrophobicContact CG2-CE2 3.85Å; T185-F187 HydrophobicContact CG2-CZ 3.6Å; F187-L205 HydrophobicContact CE2-CD1 4.48Å; F187-S231 WeakPolarHBondContact O-CA 3.27Å; F187-S231 WeakPolarHBondContact O-CB 3.32Å; F187-A232 WeakPolarHBondContact CA-O 3.3Å; F187-A232 HydrophobicContact CB-CB 4.23Å; F187-A232 WeakPolarHBondContact CB-O 3.27Å; F187-A232 HydrophobicContact CD2-CB 4.1Å; F187-A232 PolarHBondContact N-O 3.49Å; F187-A232 PolarHBondContact O-N 2.83Å; F187-V234 HydrophobicContact CE2-CG2 4.13Å
188	P	94.2	Very high	93.8	Very high	90 Å²	90	71.5 Å²	71.5	58%	0.584	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	166.3	179.3	-23.1	33.4	0	0	0	112.7	H190	P188-H190 PolarHBondContact O-N 3.17Å; P188-H190 PolarHBondContact O-ND1 2.81Å
189	E	94.4	Very high	93.8	Very high	145 Å²	145	65 Å²	65	68%	0.678	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	129.8	176.3	-171.1	174.7	88.3	0	0	111.6	P229 H230	E189-P229 HydrophobicContact CG-CB 4.04Å; E189-H230 CarbonylContact C-O 3.58Å; E189-H230 VanDerWaalsContact CA-O 3.27Å; E189-H230 WeakPolarHBondContact CA-O 3.37Å
190	H	91.4	Very high	93.8	Very high	83 Å²	83	60.4 Å²	60.4	38%	0.384	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	176.1	178.5	63.3	-73.8	0	0	0	111.3	P188 P229 H230	P188-H190 PolarHBondContact O-N 3.17Å; P188-H190 PolarHBondContact O-ND1 2.81Å; H190-P229 WeakPolarHBondContact O-CA 3.35Å; H190-H230 AromaticContact CD2-NE2 3.9Å; H190-H230 AromaticContact CE1-CD2 3.83Å; H190-H230 AromaticContact CE1-NE2 3.63Å; H190-H230 PolarHBondContact N-O 3.4Å; H190-H230 PolarHBondContact ND1-O 3.26Å; H190-H230 AromaticContact NE2-NE2 3.32Å; H190-H230 PolarHBondContact NE2-NE2 2.84Å; H190-H230 PolarHBondContact O-N 2.89Å
191	T	85.9	Confident	93.8	Very high	77 Å²	77	54.3 Å²	54.3	47%	0.472	30%	0.303	S	S	.	.			trans	-137.2	162.2	174.9	57.1	0	0	0	0	109.8	P229	T191-P229 HydrophobicContact CG2-CB 4.19Å; T191-P229 HydrophobicContact CG2-CG 3.89Å
192	H	87.6	Confident	93.8	Very high	42 Å²	42	54.2 Å²	54.2	19%	0.194	31%	0.308	C	S	.	.			trans	-141.4	160	171.9	49.5	66.6	0	0	0	109.7	E194 K196 R226 N227 H230	H192-E194 PolarHBondContact CE1-O 3.24Å; H192-E194 PolarHBondContact ND1-O 2.77Å; H192-K196 WeakPolarHBondContact NE2-CD 3.42Å; H192-K196 WeakPolarHBondContact NE2-CE 3.37Å; H192-R226 CarbonylContact O-C 3.57Å; H192-R226 WeakPolarHBondContact O-CA 3.39Å; H192-N227 PolarHBondContact O-N 3.47Å; H192-H230 AromaticContact CD2-CE1 3.38Å; H192-H230 PolarHBondContact CD2-CE1 3.29Å; H192-H230 AromaticContact CD2-NE2 3.79Å; H192-H230 AromaticContact NE2-CE1 3.15Å; H192-H230 PolarHBondContact NE2-CE1 3.47Å; H192-H230 AromaticContact NE2-NE2 3.61Å
193	D	88.5	Confident	93.8	Very high	114 Å²	114	50.3 Å²	50.3	61%	0.61	29%	0.286	S	S	*	.	S	Bend	trans	-92.4	-8.4	-172.9	63.3	-19.8	0	0	0	114.7	R226	D193-R226 WeakPolarHBondContact O-CB 3.41Å; D193-R226 WeakPolarHBondContact O-CD 3.48Å; D193-R226 PolarHBondContact O-NH1 3.22Å
194	E	87.4	Confident	93.8	Very high	56 Å²	56	52.1 Å²	52.1	26%	0.262	29%	0.29	S	S	.	.	S	Bend	trans	-102.2	156.3	174.1	-63.7	-173.6	151.8	0	0	111.7	H192 R226 R248	H192-E194 PolarHBondContact CE1-O 3.24Å; H192-E194 PolarHBondContact ND1-O 2.77Å; E194-R226 WeakPolarHBondContact O-CA 3.27Å; E194-R226 WeakPolarHBondContact O-CB 3.27Å; E194-R248 IonicContact OE1-NE 3.76Å; E194-R248 PolarHBondContact OE1-NE 3.43Å; E194-R248 IonicContact OE1-NH2 3.84Å
195	D	87.9	Confident	93.8	Very high	33 Å²	33	49.7 Å²	49.7	18%	0.176	26%	0.264	C	S	.	.			trans	-83.3	136.6	168.9	-54.1	-55.1	0	0	0	108.7	R226 R247 R249	D195-R226 PolarHBondContact OD1-N 3.18Å; D195-R226 IonicContact OD1-NE 2.75Å; D195-R226 PolarHBondContact OD1-NE 3.09Å; D195-R226 IonicContact OD2-CZ 3.81Å; D195-R226 IonicContact OD2-NE 3.46Å; D195-R226 PolarHBondContact OD2-NE 2.84Å; D195-R226 IonicContact OD2-NH2 3.92Å; D195-R226 PolarHBondContact OD2-NH2 3.26Å; D195-R247 PolarHBondContact O-N 2.82Å; D195-R249 IonicContact OD2-NE 3.72Å
196	K	92.2	Very high	93.7	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	166.1	-179.8	74.8	172	-176.5	153.5	0	113.6	H192 D198 V224 A245 T246	H192-K196 WeakPolarHBondContact NE2-CD 3.42Å; H192-K196 WeakPolarHBondContact NE2-CE 3.37Å; K196-D198 WeakPolarHBondContact CD-OD1 3.5Å; K196-D198 WeakPolarHBondContact CE-OD1 3.3Å; K196-D198 IonicContact NZ-OD1 3.68Å; K196-D198 PolarHBondContact NZ-OD1 3.2Å; K196-D198 IonicContact NZ-OD2 2.85Å; K196-D198 PolarHBondContact NZ-OD2 3.39Å; K196-V224 HydrophobicContact CD-CB 4.48Å; K196-V224 HydrophobicContact CG-CB 3.72Å; K196-V224 HydrophobicContact CG-CG1 4.39Å; K196-V224 HydrophobicContact CG-CG2 4.3Å; K196-V224 PolarHBondContact N-O 3.25Å; K196-V224 PolarHBondContact O-N 3.32Å; K196-A245 CarbonylContact C-O 3.55Å; K196-A245 WeakPolarHBondContact CA-O 3.49Å; K196-A245 WeakPolarHBondContact CB-O 3.35Å; K196-T246 HydrophobicContact CB-CG2 4.04Å
197	L	92.5	Very high	93.6	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.141	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.3	172.9	-87.3	162.2	0	0	0	108.6	L169 R221 L222 E223 A245	L169-L197 HydrophobicContact CD2-CD1 4.33Å; L197-R221 HydrophobicContact CD2-CB 4.17Å; L197-L222 CarbonylContact C-O 3.56Å; L197-L222 VanDerWaalsContact CA-O 3.3Å; L197-L222 WeakPolarHBondContact CA-O 3.12Å; L197-E223 HydrophobicContact CD2-CB 4.48Å; L197-E223 HydrophobicContact CD2-CG 3.65Å; L197-E223 HydrophobicContact CG-CG 4.42Å; L197-A245 HydrophobicContact CB-CB 4.06Å; L197-A245 PolarHBondContact N-O 2.99Å; L197-A245 PolarHBondContact O-N 2.79Å
198	D	96	Very high	93.4	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	106.2	175.3	-86.5	7.6	0	0	0	109	K196 F207 R221 L222 V224 F242	K196-D198 WeakPolarHBondContact CD-OD1 3.5Å; K196-D198 WeakPolarHBondContact CE-OD1 3.3Å; K196-D198 IonicContact NZ-OD1 3.68Å; K196-D198 PolarHBondContact NZ-OD1 3.2Å; K196-D198 IonicContact NZ-OD2 2.85Å; K196-D198 PolarHBondContact NZ-OD2 3.39Å; D198-F207 WeakPolarHBondContact OD2-CE2 3.22Å; D198-R221 WeakPolarHBondContact O-CA 3.4Å; D198-L222 HydrophobicContact CB-CB 4.43Å; D198-L222 PolarHBondContact N-O 3.33Å; D198-L222 PolarHBondContact O-N 3.28Å; D198-V224 HydrophobicContact CB-CG2 4.44Å; D198-F242 HydrophobicContact CB-CE2 3.62Å; D198-F242 HydrophobicContact CB-CZ 4.33Å; D198-F242 WeakPolarHBondContact OD1-CE2 2.9Å; D198-F242 VanDerWaalsContact OD1-CZ 3.27Å; D198-F242 WeakPolarHBondContact OD1-CZ 3.29Å
199	C	97	Very high	93	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.5	-169.3	-53.3	0	0	0	0	111.9	M165 L169 D220 R221 F242 V243	M165-C199 HydrophobicContact CE-CB 4.44Å; M165-C199 HydrophobicContact CG-CB 4.4Å; M165-C199 HydrophobicContact SD-CB 3.55Å; M165-C199 VanDerWaalsContact SD-CB 3.55Å; L169-C199 HydrophobicContact CD1-CB 4.35Å; C199-D220 WeakPolarHBondContact CA-O 3.33Å; C199-R221 HydrophobicContact CB-CB 4.49Å; C199-R221 HydrophobicContact CB-CG 3.95Å; C199-F242 CarbonylContact O-C 3.57Å; C199-F242 WeakPolarHBondContact O-CA 3.27Å; C199-V243 HydrophobicContact CB-CB 4.21Å; C199-V243 PolarHBondContact N-O 2.78Å; C199-V243 PolarHBondContact O-N 3.49Å
200	I	97.7	Very high	92.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.6	-175.4	-45.6	-55.3	0	0	0	110.3	L205 L216 G217 G219 D220 L240 F242	I200-L205 HydrophobicContact CD1-CB 4.1Å; I200-L205 HydrophobicContact CD1-CD2 4.15Å; I200-L216 HydrophobicContact CD1-CB 4.27Å; I200-L216 HydrophobicContact CD1-CD1 4.4Å; I200-L216 HydrophobicContact CG1-CB 3.71Å; I200-L216 HydrophobicContact CG1-CD1 4.4Å; I200-G217 VanDerWaalsContact CB-O 3.25Å; I200-G217 WeakPolarHBondContact CB-O 3.29Å; I200-G219 PolarHBondContact O-N 2.79Å; I200-D220 PolarHBondContact N-O 3.24Å; I200-L240 HydrophobicContact CD1-CD1 4.23Å; I200-L240 HydrophobicContact CG2-CD1 3.92Å; I200-F242 HydrophobicContact CD1-CD2 4.12Å
201	V	98.3	Very high	91.8	Very high	20 Å²	20	34.2 Å²	34.2	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-40.8	173.7	-179.5	0	0	0	0	110.9	L162 M165 V241 V243	L162-V201 HydrophobicContact CB-CG1 4.19Å; L162-V201 HydrophobicContact CB-CG2 4.45Å; L162-V201 HydrophobicContact CD1-CG2 4.02Å; M165-V201 HydrophobicContact CB-CG2 4.36Å; M165-V201 HydrophobicContact CG-CG2 4.44Å; M165-V201 HydrophobicContact SD-CG2 3.62Å; V201-V241 HydrophobicContact CB-CB 4.04Å; V201-V241 HydrophobicContact CB-CG1 3.82Å; V201-V241 HydrophobicContact CG1-CG1 4.22Å; V201-V241 HydrophobicContact CG2-CG1 4.22Å; V201-V241 PolarHBondContact N-O 3.49Å; V201-V243 HydrophobicContact CG2-CG2 4.29Å
202	S	98	Very high	91.6	Very high	44 Å²	44	33.4 Å²	33.4	31%	0.308	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.3	176.1	74	0	0	0	0	111	P239 L240 V241	S202-P239 PolarHBondContact OG-O 3.11Å; S202-L240 CarbonylContact O-C 3.41Å; S202-L240 VanDerWaalsContact O-CA 3.31Å; S202-L240 WeakPolarHBondContact O-CA 3.42Å; S202-L240 WeakPolarHBondContact O-CD1 3.29Å; S202-V241 PolarHBondContact N-O 3.08Å; S202-V241 PolarHBondContact O-N 2.91Å; S202-V241 WeakPolarHBondContact OG-CB 2.9Å; S202-V241 VanDerWaalsContact OG-CG2 3.24Å; S202-V241 WeakPolarHBondContact OG-CG2 3.49Å
203	G	97.4	Very high	91.6	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	21%	0.211	C	C	.	.	S	Bend	trans	86.3	-168.2	-176.7	0	0	0	0	0	111.7	P218	G203-P218 WeakPolarHBondContact O-CD 3.42Å
204	Q	96.4	Very high	91.7	Very high	91 Å²	91	33.7 Å²	33.7	43%	0.425	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.3	179.5	-67.7	179.9	-58	0	0	110.7	I215 L216 V235	Q204-I215 HydrophobicContact CB-CG2 4.25Å; Q204-L216 VanDerWaalsContact CA-O 3.26Å; Q204-L216 WeakPolarHBondContact CA-O 3.27Å; Q204-V235 HydrophobicContact CB-CG2 3.68Å; Q204-V235 PolarHBondContact O-N 2.7Å
205	L	97.6	Very high	92.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.5	-179.2	-171.5	74.2	0	0	0	109.4	F187 I200 F207 I215 L216 A232 V234 L240	F187-L205 HydrophobicContact CE2-CD1 4.48Å; I200-L205 HydrophobicContact CD1-CB 4.1Å; I200-L205 HydrophobicContact CD1-CD2 4.15Å; L205-F207 HydrophobicContact CD2-CD2 4.05Å; L205-I215 WeakPolarHBondContact O-CA 3.44Å; L205-L216 HydrophobicContact CB-CB 4.48Å; L205-L216 HydrophobicContact CD2-CD1 4.47Å; L205-L216 PolarHBondContact N-O 3.07Å; L205-L216 PolarHBondContact O-N 2.78Å; L205-A232 HydrophobicContact CD1-CB 3.91Å; L205-A232 HydrophobicContact CD2-CB 4.07Å; L205-A232 HydrophobicContact CG-CB 4.06Å; L205-V234 HydrophobicContact CD1-CG2 4.22Å; L205-L240 HydrophobicContact CB-CD1 4.14Å; L205-L240 HydrophobicContact CB-CD2 4.16Å; L205-L240 HydrophobicContact CD1-CD2 3.66Å; L205-L240 HydrophobicContact CD2-CD2 4.39Å; L205-L240 HydrophobicContact CG-CD2 4.29Å
206	S	95.2	Very high	92.3	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127	160.7	-121.9	0	0	0	0	107.3	E213 I214 I215 A232 R233	S206-E213 WeakPolarHBondContact CB-OE1 3.33Å; S206-E213 PolarHBondContact OG-OE1 3.1Å; S206-I214 CarbonylContact C-O 3.58Å; S206-I214 WeakPolarHBondContact CA-O 3.28Å; S206-I215 WeakPolarHBondContact OG-CD1 3.43Å; S206-A232 CarbonylContact O-C 3.43Å; S206-A232 WeakPolarHBondContact O-CA 3.49Å; S206-A232 WeakPolarHBondContact O-CB 3.33Å; S206-R233 PolarHBondContact N-O 3.35Å; S206-R233 PolarHBondContact O-N 3.49Å
207	F	95.6	Very high	92.6	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.9	177.3	-160.8	-81.4	0	0	0	109.6	F147 D198 L205 M209 E213 I214 L216 L222 V224 H230 A232	F147-F207 HydrophobicContact CE1-CD1 4.02Å; D198-F207 WeakPolarHBondContact OD2-CE2 3.22Å; L205-F207 HydrophobicContact CD2-CD2 4.05Å; F207-M209 HydrophobicContact CD1-CB 4.32Å; F207-M209 HydrophobicContact CE1-CB 4.02Å; F207-E213 CarbonylContact O-C 3.56Å; F207-E213 WeakPolarHBondContact O-CA 3.33Å; F207-I214 HydrophobicContact CB-CG2 4.11Å; F207-I214 PolarHBondContact N-O 3.21Å; F207-I214 PolarHBondContact O-N 2.64Å; F207-L216 HydrophobicContact CB-CD1 4.3Å; F207-L222 HydrophobicContact CB-CD2 4.24Å; F207-L222 HydrophobicContact CD1-CD2 3.41Å; F207-L222 VanDerWaalsContact CD1-CD2 3.41Å; F207-L222 HydrophobicContact CD2-CD2 4.04Å; F207-L222 HydrophobicContact CE1-CD2 3.59Å; F207-L222 HydrophobicContact CE2-CD2 4.23Å; F207-L222 HydrophobicContact CG-CD2 3.62Å; F207-L222 HydrophobicContact CZ-CD2 4Å; F207-V224 HydrophobicContact CE1-CG2 4.15Å; F207-V224 HydrophobicContact CE2-CG2 4.29Å; F207-V224 HydrophobicContact CZ-CG1 4.21Å; F207-V224 HydrophobicContact CZ-CG2 3.58Å; F207-H230 HydrophobicContact CE1-CB 3.57Å; F207-H230 AromaticContact CE2-CD2 3.89Å; F207-H230 HydrophobicContact CZ-CB 3.65Å; F207-H230 AromaticContact CZ-CD2 3.33Å; F207-H230 WeakPolarHBondContact CZ-CD2 3.31Å; F207-H230 AromaticContact CZ-CG 3.62Å; F207-A232 HydrophobicContact CD2-CB 3.79Å; F207-A232 HydrophobicContact CE2-CB 4.25Å
208	S	90.3	Very high	92.8	Very high	33 Å²	33	35.4 Å²	35.4	23%	0.231	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.5	-179.4	-57.7	0	0	0	0	110.6	K212 H230 S231	S208-K212 WeakPolarHBondContact CA-O 3.47Å; S208-H230 CarbonylContact O-C 3.34Å; S208-H230 WeakPolarHBondContact O-CA 3.3Å; S208-H230 VanDerWaalsContact O-CB 3.27Å; S208-H230 WeakPolarHBondContact O-CB 3.37Å; S208-S231 PolarHBondContact N-O 2.81Å; S208-S231 PolarHBondContact O-N 2.85Å
209	M	86.6	Confident	92.8	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	149.9	-180	-173.5	173.9	53.4	0	0	108.2	F147 F207 G211 K212 V224 I228 H230	F147-M209 HydrophobicContact CD1-CE 3.69Å; F147-M209 HydrophobicContact CE1-CB 3.68Å; F147-M209 HydrophobicContact CE1-CE 3.88Å; F147-M209 HydrophobicContact CZ-CB 4.17Å; F207-M209 HydrophobicContact CD1-CB 4.32Å; F207-M209 HydrophobicContact CE1-CB 4.02Å; M209-G211 PolarHBondContact O-N 3.23Å; M209-G211 VanDerWaalsContact O-N 3.12Å; M209-K212 PolarHBondContact N-O 3.44Å; M209-K212 PolarHBondContact O-N 3.06Å; M209-V224 HydrophobicContact SD-CG1 4.34Å; M209-I228 HydrophobicContact CG-CG2 3.36Å; M209-I228 HydrophobicContact SD-CB 4.23Å; M209-I228 HydrophobicContact SD-CG2 3.48Å; M209-I228 WeakPolarHBondContact SD-CG2 3.46Å; M209-H230 HydrophobicContact CB-CB 4.22Å; M209-H230 HydrophobicContact CG-CB 4.4Å
210	Y	81.4	Confident	92.7	Very high	44 Å²	44	36.4 Å²	36.4	17%	0.173	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	29.9	179.9	-48.4	-52.7	0	0	0	114.6	Y145 K212 P225 I228	Y145-Y210 HydrophobicContact CD1-CE1 4.12Å; Y145-Y210 AromaticContact CD1-CZ 3.94Å; Y145-Y210 HydrophobicContact CD2-CE1 4.37Å; Y145-Y210 HydrophobicContact CG-CD1 4.26Å; Y145-Y210 AromaticContact CG-CE1 3.73Å; Y145-Y210 HydrophobicContact CG-CE1 3.73Å; Y145-Y210 HydrophobicContact CG-CE2 4.47Å; Y145-Y210 AromaticContact CG-CZ 3.88Å; Y145-Y210 VanDerWaalsContact O-CD2 3.29Å; Y145-Y210 WeakPolarHBondContact O-CD2 3.19Å; Y210-K212 PolarHBondContact O-N 3.35Å; Y210-P225 WeakPolarHBondContact OH-CG 3.33Å; Y210-I228 HydrophobicContact CD1-CG2 3.94Å; Y210-I228 HydrophobicContact CE1-CB 4.27Å; Y210-I228 HydrophobicContact CE1-CD1 3.93Å; Y210-I228 HydrophobicContact CE1-CG1 4.01Å; Y210-I228 HydrophobicContact CE1-CG2 3.27Å
211	G	78.9	Confident	92.5	Very high	90 Å²	90	37.4 Å²	37.4	93%	0.928	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	4.1	-176.7	0	0	0	0	0	114.8	M209	M209-G211 PolarHBondContact O-N 3.23Å; M209-G211 VanDerWaalsContact O-N 3.12Å
212	K	81.7	Confident	92.3	Very high	60 Å²	60	36.5 Å²	36.5	26%	0.261	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	161.8	177	-57.6	-176.9	-169.8	177.6	0	110.6	D146 F147 S208 M209 Y210	D146-K212 IonicContact OD1-NZ 3.89Å; D146-K212 PolarHBondContact OD1-NZ 3.06Å; D146-K212 IonicContact OD2-NZ 3.29Å; F147-K212 HydrophobicContact CE2-CB 3.57Å; F147-K212 HydrophobicContact CZ-CB 4.11Å; S208-K212 WeakPolarHBondContact CA-O 3.47Å; M209-K212 PolarHBondContact N-O 3.44Å; M209-K212 PolarHBondContact O-N 3.06Å; Y210-K212 PolarHBondContact O-N 3.35Å
213	E	86.9	Confident	92	Very high	111 Å²	111	37.9 Å²	37.9	52%	0.519	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.9	174.5	-173.2	174.1	-154.6	0	0	110.3	S206 F207 R233	S206-E213 WeakPolarHBondContact CB-OE1 3.33Å; S206-E213 PolarHBondContact OG-OE1 3.1Å; F207-E213 CarbonylContact O-C 3.56Å; F207-E213 WeakPolarHBondContact O-CA 3.33Å; E213-R233 IonicContact OE1-NH2 3.81Å
214	I	90.6	Very high	91.7	Very high	51 Å²	51	37.5 Å²	37.5	26%	0.262	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.8	174.8	-169.6	166.8	0	0	0	110.2	F147 V149 S206 F207 L216	F147-I214 HydrophobicContact CB-CD1 4.46Å; F147-I214 HydrophobicContact CD1-CG2 3.89Å; F147-I214 HydrophobicContact CD2-CB 4.12Å; F147-I214 HydrophobicContact CD2-CD1 4.49Å; F147-I214 HydrophobicContact CD2-CG2 4.12Å; F147-I214 HydrophobicContact CE1-CG2 3.77Å; F147-I214 HydrophobicContact CE2-CB 3.99Å; F147-I214 HydrophobicContact CE2-CG2 3.99Å; F147-I214 HydrophobicContact CG-CB 4.49Å; F147-I214 HydrophobicContact CG-CG2 4.06Å; F147-I214 HydrophobicContact CZ-CB 4.27Å; F147-I214 HydrophobicContact CZ-CG2 3.83Å; V149-I214 HydrophobicContact CG2-CD1 3.93Å; S206-I214 CarbonylContact C-O 3.58Å; S206-I214 WeakPolarHBondContact CA-O 3.28Å; F207-I214 HydrophobicContact CB-CG2 4.11Å; F207-I214 PolarHBondContact N-O 3.21Å; F207-I214 PolarHBondContact O-N 2.64Å; I214-L216 HydrophobicContact CD1-CD2 4.42Å; I214-L216 HydrophobicContact CG2-CD2 4.14Å; I214-L216 HydrophobicContact CG2-CG 4.42Å
215	I	94.8	Very high	91.1	Very high	84 Å²	84	35.1 Å²	35.1	43%	0.431	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.6	169.2	-54.2	-55.5	0	0	0	108.6	Q204 L205 S206 V235	Q204-I215 HydrophobicContact CB-CG2 4.25Å; L205-I215 WeakPolarHBondContact O-CA 3.44Å; S206-I215 WeakPolarHBondContact OG-CD1 3.43Å; I215-V235 HydrophobicContact CD1-CG2 4.34Å; I215-V235 HydrophobicContact CG2-CG2 4.32Å
216	L	94.2	Very high	90.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.6	172.9	-54.7	175.1	0	0	0	110	V149 I200 Q204 L205 F207 I214 D220 L222	V149-L216 HydrophobicContact CG1-CD2 4.26Å; V149-L216 HydrophobicContact CG2-CD2 4.02Å; I200-L216 HydrophobicContact CD1-CB 4.27Å; I200-L216 HydrophobicContact CD1-CD1 4.4Å; I200-L216 HydrophobicContact CG1-CB 3.71Å; I200-L216 HydrophobicContact CG1-CD1 4.4Å; Q204-L216 VanDerWaalsContact CA-O 3.26Å; Q204-L216 WeakPolarHBondContact CA-O 3.27Å; L205-L216 HydrophobicContact CB-CB 4.48Å; L205-L216 HydrophobicContact CD2-CD1 4.47Å; L205-L216 PolarHBondContact N-O 3.07Å; L205-L216 PolarHBondContact O-N 2.78Å; F207-L216 HydrophobicContact CB-CD1 4.3Å; I214-L216 HydrophobicContact CD1-CD2 4.42Å; I214-L216 HydrophobicContact CG2-CD2 4.14Å; I214-L216 HydrophobicContact CG2-CG 4.42Å; L216-D220 WeakPolarHBondContact CA-OD2 3.37Å; L216-D220 HydrophobicContact CB-CB 4.22Å; L216-D220 HydrophobicContact CD2-CB 4.19Å; L216-L222 HydrophobicContact CD1-CB 3.75Å; L216-L222 HydrophobicContact CD1-CD2 3.92Å; L216-L222 HydrophobicContact CD1-CG 4.47Å; L216-L222 HydrophobicContact CD2-CB 4.2Å
217	G	96.5	Very high	90.1	Very high	13 Å²	13	44.2 Å²	44.2	13%	0.134	25%	0.248	C	C	.	.			trans	-118.4	179.1	176.8	0	0	0	0	0	113	I200 G219 D220	I200-G217 VanDerWaalsContact CB-O 3.25Å; I200-G217 WeakPolarHBondContact CB-O 3.29Å; G217-G219 PolarHBondContact O-N 3.29Å; G217-D220 PolarHBondContact N-OD2 3.25Å; G217-D220 WeakPolarHBondContact O-CB 3.31Å; G217-D220 PolarHBondContact O-N 2.84Å; G217-D220 VanDerWaalsContact O-N 3.08Å
218	P	97.4	Very high	89.5	Confident	75 Å²	75	45.6 Å²	45.6	49%	0.487	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	126.2	179.9	-24.8	35.2	0	0	0	112.2	L160 G203	L160-P218 HydrophobicContact CD2-CB 3.7Å; G203-P218 WeakPolarHBondContact O-CD 3.42Å
219	G	95.5	Very high	89.2	Confident	2 Å²	2	47 Å²	47	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	-13.9	179.7	0	0	0	0	0	114	W152 L160 I200 G217	W152-G219 WeakPolarHBondContact CB-O 3.44Å; W152-G219 PolarHBondContact N-O 3.15Å; L160-G219 VanDerWaalsContact CD2-N 3.26Å; I200-G219 PolarHBondContact O-N 2.79Å; G217-G219 PolarHBondContact O-N 3.29Å
220	D	95.1	Very high	89.4	Confident	22 Å²	22	46.9 Å²	46.9	12%	0.118	26%	0.263	C	S	.	.			trans	-73.4	139.2	178.2	-63.8	-15.7	0	0	0	111	V149 H150 H151 C199 I200 L216 G217	V149-D220 HydrophobicContact CG1-CB 3.89Å; H150-D220 CarbonylContact O-C 3.39Å; H150-D220 WeakPolarHBondContact O-CA 2.89Å; H151-D220 IonicContact CE1-OD1 2.69Å; H151-D220 PolarHBondContact CE1-OD1 3.27Å; H151-D220 VanDerWaalsContact CE1-OD1 3.29Å; H151-D220 IonicContact CG-OD1 2.9Å; H151-D220 IonicContact ND1-OD1 2.77Å; H151-D220 PolarHBondContact ND1-OD1 3.08Å; C199-D220 WeakPolarHBondContact CA-O 3.33Å; I200-D220 PolarHBondContact N-O 3.24Å; L216-D220 WeakPolarHBondContact CA-OD2 3.37Å; L216-D220 HydrophobicContact CB-CB 4.22Å; L216-D220 HydrophobicContact CD2-CB 4.19Å; G217-D220 PolarHBondContact N-OD2 3.25Å; G217-D220 WeakPolarHBondContact O-CB 3.31Å; G217-D220 PolarHBondContact O-N 2.84Å; G217-D220 VanDerWaalsContact O-N 3.08Å
221	R	94.5	Very high	89.9	Confident	22 Å²	22	46.3 Å²	46.3	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.4	171.6	-53.1	-175.3	-69.7	166.2	2.3	108.4	H150 M165 K168 E172 L197 D198 C199	H150-R221 HydrophobicContact CB-CB 4.33Å; H150-R221 PolarHBondContact N-O 3.35Å; H150-R221 PolarHBondContact O-N 3.11Å; M165-R221 HydrophobicContact CE-CG 4.24Å; K168-R221 VanDerWaalsContact CE-CZ 3.43Å; K168-R221 VanDerWaalsContact CE-NH2 3.25Å; E172-R221 IonicContact OE1-CZ 3.57Å; E172-R221 IonicContact OE1-NH1 2.96Å; E172-R221 PolarHBondContact OE1-NH1 3.3Å; E172-R221 IonicContact OE1-NH2 2.93Å; E172-R221 IonicContact OE2-NH1 2.98Å; E172-R221 PolarHBondContact OE2-NH1 3.39Å; L197-R221 HydrophobicContact CD2-CB 4.17Å; D198-R221 WeakPolarHBondContact O-CA 3.4Å; C199-R221 HydrophobicContact CB-CB 4.49Å; C199-R221 HydrophobicContact CB-CG 3.95Å
222	L	93.2	Very high	90.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.7	-179	172.2	64.4	0	0	0	110.3	F147 V149 L197 D198 F207 L216 V224	F147-L222 HydrophobicContact CB-CD1 4.01Å; F147-L222 HydrophobicContact CD1-CD1 3.75Å; F147-L222 HydrophobicContact CD1-CD2 4.2Å; F147-L222 HydrophobicContact CG-CD1 4.36Å; V149-L222 HydrophobicContact CG2-CD1 3.84Å; L197-L222 CarbonylContact C-O 3.56Å; L197-L222 VanDerWaalsContact CA-O 3.3Å; L197-L222 WeakPolarHBondContact CA-O 3.12Å; D198-L222 HydrophobicContact CB-CB 4.43Å; D198-L222 PolarHBondContact N-O 3.33Å; D198-L222 PolarHBondContact O-N 3.28Å; F207-L222 HydrophobicContact CB-CD2 4.24Å; F207-L222 HydrophobicContact CD1-CD2 3.41Å; F207-L222 VanDerWaalsContact CD1-CD2 3.41Å; F207-L222 HydrophobicContact CD2-CD2 4.04Å; F207-L222 HydrophobicContact CE1-CD2 3.59Å; F207-L222 HydrophobicContact CE2-CD2 4.23Å; F207-L222 HydrophobicContact CG-CD2 3.62Å; F207-L222 HydrophobicContact CZ-CD2 4Å; L216-L222 HydrophobicContact CD1-CB 3.75Å; L216-L222 HydrophobicContact CD1-CD2 3.92Å; L216-L222 HydrophobicContact CD1-CG 4.47Å; L216-L222 HydrophobicContact CD2-CB 4.2Å; L222-V224 HydrophobicContact CD2-CG2 4.09Å; L222-V224 HydrophobicContact CG-CG2 4.05Å
223	E	92.4	Very high	91.5	Very high	73 Å²	73	44.8 Å²	44.8	34%	0.341	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.1	167.1	-65.9	-174.4	-153.5	0	0	110.6	I148 H150 L197	I148-E223 HydrophobicContact CB-CB 4.2Å; I148-E223 HydrophobicContact CB-CG 4.41Å; I148-E223 HydrophobicContact CG2-CG 4.29Å; I148-E223 PolarHBondContact O-N 3.39Å; H150-E223 IonicContact CD2-OE1 2.95Å; H150-E223 IonicContact CE1-OE1 3.99Å; H150-E223 IonicContact NE2-OE1 3.36Å; H150-E223 PolarHBondContact NE2-OE1 3.41Å; L197-E223 HydrophobicContact CD2-CB 4.48Å; L197-E223 HydrophobicContact CD2-CG 3.65Å; L197-E223 HydrophobicContact CG-CG 4.42Å
224	V	90.4	Very high	92	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.1	176.3	-173.8	0	0	0	0	108	K196 D198 F207 M209 L222	K196-V224 HydrophobicContact CD-CB 4.48Å; K196-V224 HydrophobicContact CG-CB 3.72Å; K196-V224 HydrophobicContact CG-CG1 4.39Å; K196-V224 HydrophobicContact CG-CG2 4.3Å; K196-V224 PolarHBondContact N-O 3.25Å; K196-V224 PolarHBondContact O-N 3.32Å; D198-V224 HydrophobicContact CB-CG2 4.44Å; F207-V224 HydrophobicContact CE1-CG2 4.15Å; F207-V224 HydrophobicContact CE2-CG2 4.29Å; F207-V224 HydrophobicContact CZ-CG1 4.21Å; F207-V224 HydrophobicContact CZ-CG2 3.58Å; M209-V224 HydrophobicContact SD-CG1 4.34Å; L222-V224 HydrophobicContact CD2-CG2 4.09Å; L222-V224 HydrophobicContact CG-CG2 4.05Å
225	P	85.5	Confident	92.3	Very high	42 Å²	42	38.7 Å²	38.7	27%	0.273	21%	0.205	S	C	.	.			trans	-67.6	151.6	179.8	-20.6	34	0	0	0	111.9	Y210 I228	Y210-P225 WeakPolarHBondContact OH-CG 3.33Å; P225-I228 HydrophobicContact CB-CG1 3.85Å; P225-I228 HydrophobicContact CG-CG1 4.37Å; P225-I228 PolarHBondContact O-N 3.33Å
226	R	85.7	Confident	92.2	Very high	97 Å²	97	36.9 Å²	36.9	37%	0.366	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	149.7	173.3	68.6	-176	68.1	-150.1	4.8	112.1	H192 D193 E194 D195 I228	H192-R226 CarbonylContact O-C 3.57Å; H192-R226 WeakPolarHBondContact O-CA 3.39Å; D193-R226 WeakPolarHBondContact O-CB 3.41Å; D193-R226 WeakPolarHBondContact O-CD 3.48Å; D193-R226 PolarHBondContact O-NH1 3.22Å; E194-R226 WeakPolarHBondContact O-CA 3.27Å; E194-R226 WeakPolarHBondContact O-CB 3.27Å; D195-R226 PolarHBondContact OD1-N 3.18Å; D195-R226 IonicContact OD1-NE 2.75Å; D195-R226 PolarHBondContact OD1-NE 3.09Å; D195-R226 IonicContact OD2-CZ 3.81Å; D195-R226 IonicContact OD2-NE 3.46Å; D195-R226 PolarHBondContact OD2-NE 2.84Å; D195-R226 IonicContact OD2-NH2 3.92Å; D195-R226 PolarHBondContact OD2-NH2 3.26Å; R226-I228 PolarHBondContact O-N 3.25Å; R226-I228 VanDerWaalsContact O-N 3.1Å
227	N	85.2	Confident	92.3	Very high	102 Å²	102	46.1 Å²	46.1	55%	0.545	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	16.1	175	-53.4	-47.3	0	0	0	114.5	H192	H192-N227 PolarHBondContact O-N 3.47Å
228	I	82.8	Confident	92.2	Very high	30 Å²	30	50.9 Å²	50.9	15%	0.154	27%	0.269	C	S	.	.			trans	-96.4	120.6	175.3	-59.2	-52.3	0	0	0	109.7	M209 Y210 P225 R226 H230	M209-I228 HydrophobicContact CG-CG2 3.36Å; M209-I228 HydrophobicContact SD-CB 4.23Å; M209-I228 HydrophobicContact SD-CG2 3.48Å; M209-I228 WeakPolarHBondContact SD-CG2 3.46Å; Y210-I228 HydrophobicContact CD1-CG2 3.94Å; Y210-I228 HydrophobicContact CE1-CB 4.27Å; Y210-I228 HydrophobicContact CE1-CD1 3.93Å; Y210-I228 HydrophobicContact CE1-CG1 4.01Å; Y210-I228 HydrophobicContact CE1-CG2 3.27Å; P225-I228 HydrophobicContact CB-CG1 3.85Å; P225-I228 HydrophobicContact CG-CG1 4.37Å; P225-I228 PolarHBondContact O-N 3.33Å; R226-I228 PolarHBondContact O-N 3.25Å; R226-I228 VanDerWaalsContact O-N 3.1Å; I228-H230 PolarHBondContact O-N 2.89Å; I228-H230 PolarHBondContact O-ND1 3.3Å
229	P	84.3	Confident	92.2	Very high	63 Å²	63	49.8 Å²	49.8	41%	0.409	26%	0.262	S	S	.	.			trans	-59.9	128.8	174.6	-24.2	34.3	0	0	0	111.2	E189 H190 T191	E189-P229 HydrophobicContact CG-CB 4.04Å; H190-P229 WeakPolarHBondContact O-CA 3.35Å; T191-P229 HydrophobicContact CG2-CB 4.19Å; T191-P229 HydrophobicContact CG2-CG 3.89Å
230	H	90.1	Very high	92.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.4	176.1	58.3	-80.5	0	0	0	111.8	E189 H190 H192 F207 S208 M209 I228	E189-H230 CarbonylContact C-O 3.58Å; E189-H230 VanDerWaalsContact CA-O 3.27Å; E189-H230 WeakPolarHBondContact CA-O 3.37Å; H190-H230 AromaticContact CD2-NE2 3.9Å; H190-H230 AromaticContact CE1-CD2 3.83Å; H190-H230 AromaticContact CE1-NE2 3.63Å; H190-H230 PolarHBondContact N-O 3.4Å; H190-H230 PolarHBondContact ND1-O 3.26Å; H190-H230 AromaticContact NE2-NE2 3.32Å; H190-H230 PolarHBondContact NE2-NE2 2.84Å; H190-H230 PolarHBondContact O-N 2.89Å; H192-H230 AromaticContact CD2-CE1 3.38Å; H192-H230 PolarHBondContact CD2-CE1 3.29Å; H192-H230 AromaticContact CD2-NE2 3.79Å; H192-H230 AromaticContact NE2-CE1 3.15Å; H192-H230 PolarHBondContact NE2-CE1 3.47Å; H192-H230 AromaticContact NE2-NE2 3.61Å; F207-H230 HydrophobicContact CE1-CB 3.57Å; F207-H230 AromaticContact CE2-CD2 3.89Å; F207-H230 HydrophobicContact CZ-CB 3.65Å; F207-H230 AromaticContact CZ-CD2 3.33Å; F207-H230 WeakPolarHBondContact CZ-CD2 3.31Å; F207-H230 AromaticContact CZ-CG 3.62Å; S208-H230 CarbonylContact O-C 3.34Å; S208-H230 WeakPolarHBondContact O-CA 3.3Å; S208-H230 VanDerWaalsContact O-CB 3.27Å; S208-H230 WeakPolarHBondContact O-CB 3.37Å; M209-H230 HydrophobicContact CB-CB 4.22Å; M209-H230 HydrophobicContact CG-CB 4.4Å; I228-H230 PolarHBondContact O-N 2.89Å; I228-H230 PolarHBondContact O-ND1 3.3Å
231	S	91.7	Very high	92.5	Very high	32 Å²	32	49.9 Å²	49.9	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.4	173.6	65.1	0	0	0	0	109.9	F187 S208	F187-S231 WeakPolarHBondContact O-CA 3.27Å; F187-S231 WeakPolarHBondContact O-CB 3.32Å; S208-S231 PolarHBondContact N-O 2.81Å; S208-S231 PolarHBondContact O-N 2.85Å
232	A	96.8	Very high	92.6	Very high	9 Å²	9	49.6 Å²	49.6	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.4	-179.7	0	0	0	0	0	112.4	F187 L205 S206 F207	F187-A232 WeakPolarHBondContact CA-O 3.3Å; F187-A232 HydrophobicContact CB-CB 4.23Å; F187-A232 WeakPolarHBondContact CB-O 3.27Å; F187-A232 HydrophobicContact CD2-CB 4.1Å; F187-A232 PolarHBondContact N-O 3.49Å; F187-A232 PolarHBondContact O-N 2.83Å; L205-A232 HydrophobicContact CD1-CB 3.91Å; L205-A232 HydrophobicContact CD2-CB 4.07Å; L205-A232 HydrophobicContact CG-CB 4.06Å; S206-A232 CarbonylContact O-C 3.43Å; S206-A232 WeakPolarHBondContact O-CA 3.49Å; S206-A232 WeakPolarHBondContact O-CB 3.33Å; F207-A232 HydrophobicContact CD2-CB 3.79Å; F207-A232 HydrophobicContact CE2-CB 4.25Å
233	R	97.3	Very high	92.8	Very high	110 Å²	110	49.6 Å²	49.6	42%	0.415	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.4	176.9	-177.2	173.6	59.5	-130.5	-8.1	110.3	T185 S206 E213 V235	T185-R233 WeakPolarHBondContact O-CA 3.45Å; S206-R233 PolarHBondContact N-O 3.35Å; S206-R233 PolarHBondContact O-N 3.49Å; E213-R233 IonicContact OE1-NH2 3.81Å; R233-V235 HydrophobicContact CG-CG1 4.43Å; R233-V235 PolarHBondContact O-N 3.48Å
234	V	98.3	Very high	93	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	118	172	-174.4	0	0	0	0	108.7	F181 T182 G184 T185 F187 L205 L240	F181-V234 HydrophobicContact CB-CG2 3.83Å; T182-V234 WeakPolarHBondContact O-CB 3.37Å; G184-V234 WeakPolarHBondContact CA-O 3.42Å; G184-V234 PolarHBondContact N-O 2.97Å; T185-V234 PolarHBondContact O-N 3.01Å; F187-V234 HydrophobicContact CE2-CG2 4.13Å; L205-V234 HydrophobicContact CD1-CG2 4.22Å; V234-L240 HydrophobicContact CG1-CB 3.86Å; V234-L240 HydrophobicContact CG2-CB 4.01Å; V234-L240 HydrophobicContact CG2-CD2 4.03Å
235	V	96.2	Very high	93.2	Very high	32 Å²	32	47.8 Å²	47.8	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	165.8	179.7	-64.4	0	0	0	0	110.8	Q204 I215 R233	Q204-V235 HydrophobicContact CB-CG2 3.68Å; Q204-V235 PolarHBondContact O-N 2.7Å; I215-V235 HydrophobicContact CD1-CG2 4.34Å; I215-V235 HydrophobicContact CG2-CG2 4.32Å; R233-V235 HydrophobicContact CG-CG1 4.43Å; R233-V235 PolarHBondContact O-N 3.48Å
236	G	93.8	Very high	93.6	Very high	46 Å²	46	47.3 Å²	47.3	47%	0.474	25%	0.251	S	S	.	.	S	Bend	trans	80.8	-164.8	-176.2	0	0	0	0	0	113.3
237	K	95.4	Very high	93.3	Very high	194 Å²	194	49 Å²	49	84%	0.843	26%	0.258	S	S	*	.	S	Bend	trans	-105.8	-13.8	-173.3	-62.8	-178.1	-178.7	178.6	0	114.1	P183	P183-K237 WeakPolarHBondContact CG-O 3.47Å
238	N	95.2	Very high	92.4	Very high	112 Å²	112	54.1 Å²	54.1	60%	0.599	27%	0.269	S	S	*	.	S	Bend	trans	-98.3	143.8	-173.8	-65.6	-32.1	0	0	0	110.6
239	P	97.2	Very high	91.1	Very high	52 Å²	52	64.4 Å²	64.4	34%	0.338	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-55.6	139.9	171.2	-23.9	33.5	0	0	0	111.9	K180 F181 S202	K180-P239 HydrophobicContact CG-CB 4.36Å; F181-P239 CarbonylContact O-C 3.43Å; F181-P239 VanDerWaalsContact O-CA 3.31Å; F181-P239 WeakPolarHBondContact O-CA 3.25Å; S202-P239 PolarHBondContact OG-O 3.11Å
240	L	98.3	Very high	91.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.7	171.8	-166.7	74.7	0	0	0	108.9	K180 F181 I200 S202 L205 V234 F242	K180-L240 CarbonylContact C-O 3.44Å; K180-L240 VanDerWaalsContact CA-O 3.22Å; K180-L240 WeakPolarHBondContact CA-O 3.4Å; F181-L240 HydrophobicContact CB-CB 4.35Å; F181-L240 HydrophobicContact CD2-CD2 4.33Å; F181-L240 PolarHBondContact N-O 3.13Å; F181-L240 PolarHBondContact O-N 2.95Å; I200-L240 HydrophobicContact CD1-CD1 4.23Å; I200-L240 HydrophobicContact CG2-CD1 3.92Å; S202-L240 CarbonylContact O-C 3.41Å; S202-L240 VanDerWaalsContact O-CA 3.31Å; S202-L240 WeakPolarHBondContact O-CA 3.42Å; S202-L240 WeakPolarHBondContact O-CD1 3.29Å; L205-L240 HydrophobicContact CB-CD1 4.14Å; L205-L240 HydrophobicContact CB-CD2 4.16Å; L205-L240 HydrophobicContact CD1-CD2 3.66Å; L205-L240 HydrophobicContact CD2-CD2 4.39Å; L205-L240 HydrophobicContact CG-CD2 4.29Å; V234-L240 HydrophobicContact CG1-CB 3.86Å; V234-L240 HydrophobicContact CG2-CB 4.01Å; V234-L240 HydrophobicContact CG2-CD2 4.03Å; L240-F242 HydrophobicContact CD2-CB 3.93Å; L240-F242 HydrophobicContact CG-CB 4.09Å
241	V	98.3	Very high	91.5	Very high	26 Å²	26	67.8 Å²	67.8	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.5	163.4	179.4	0	0	0	0	106.5	L162 K180 V201 S202	L162-V241 HydrophobicContact CD1-CG1 4.39Å; K180-V241 HydrophobicContact CD-CG2 4.37Å; K180-V241 HydrophobicContact CG-CG2 4.21Å; V201-V241 HydrophobicContact CB-CB 4.04Å; V201-V241 HydrophobicContact CB-CG1 3.82Å; V201-V241 HydrophobicContact CG1-CG1 4.22Å; V201-V241 HydrophobicContact CG2-CG1 4.22Å; V201-V241 PolarHBondContact N-O 3.49Å; S202-V241 PolarHBondContact N-O 3.08Å; S202-V241 PolarHBondContact O-N 2.91Å; S202-V241 WeakPolarHBondContact OG-CB 2.9Å; S202-V241 VanDerWaalsContact OG-CG2 3.24Å; S202-V241 WeakPolarHBondContact OG-CG2 3.49Å
242	F	95.8	Very high	91.5	Very high	15 Å²	15	69.8 Å²	69.8	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.5	-165	160.2	-90.7	0	0	0	109.8	K178 Y179 F181 D198 C199 I200 L240 D244	K178-F242 WeakPolarHBondContact CA-O 3.47Å; Y179-F242 AromaticContact CD2-CD1 3.83Å; Y179-F242 HydrophobicContact CD2-CD1 3.83Å; Y179-F242 AromaticContact CD2-CE1 3.84Å; Y179-F242 HydrophobicContact CD2-CE1 3.84Å; Y179-F242 HydrophobicContact CG-CD1 4.4Å; Y179-F242 PolarHBondContact N-O 3.13Å; Y179-F242 PolarHBondContact O-N 2.95Å; F181-F242 HydrophobicContact CE2-CD1 4.14Å; D198-F242 HydrophobicContact CB-CE2 3.62Å; D198-F242 HydrophobicContact CB-CZ 4.33Å; D198-F242 WeakPolarHBondContact OD1-CE2 2.9Å; D198-F242 VanDerWaalsContact OD1-CZ 3.27Å; D198-F242 WeakPolarHBondContact OD1-CZ 3.29Å; C199-F242 CarbonylContact O-C 3.57Å; C199-F242 WeakPolarHBondContact O-CA 3.27Å; I200-F242 HydrophobicContact CD1-CD2 4.12Å; L240-F242 HydrophobicContact CD2-CB 3.93Å; L240-F242 HydrophobicContact CG-CB 4.09Å; F242-D244 HydrophobicContact CE1-CB 3.62Å; F242-D244 HydrophobicContact CZ-CB 3.9Å
243	V	97.9	Very high	91.2	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.3	171.1	-176.7	0	0	0	0	108.2	L162 L166 L169 C176 I177 C199 V201	L162-V243 HydrophobicContact CD1-CG2 3.57Å; L166-V243 HydrophobicContact CD2-CG1 3.82Å; L166-V243 HydrophobicContact CD2-CG2 4.14Å; L169-V243 HydrophobicContact CD1-CB 4.26Å; L169-V243 HydrophobicContact CD1-CG1 3.76Å; C176-V243 HydrophobicContact CB-CG1 3.82Å; I177-V243 CarbonylContact O-C 3.54Å; I177-V243 WeakPolarHBondContact O-CA 3.21Å; C199-V243 HydrophobicContact CB-CB 4.21Å; C199-V243 PolarHBondContact N-O 2.78Å; C199-V243 PolarHBondContact O-N 3.49Å; V201-V243 HydrophobicContact CG2-CG2 4.29Å
244	D	96.1	Very high	90.8	Very high	36 Å²	36	71.1 Å²	71.1	19%	0.193	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	119	165.3	-164.9	-55.1	0	0	0	107.4	C176 I177 Y179 F242	C176-D244 CarbonylContact C-O 3.55Å; C176-D244 WeakPolarHBondContact CA-O 3.38Å; I177-D244 HydrophobicContact CB-CB 4.48Å; I177-D244 PolarHBondContact N-O 2.95Å; I177-D244 PolarHBondContact O-N 3.5Å; Y179-D244 HydrophobicContact CD2-CB 4.47Å; Y179-D244 HydrophobicContact CE2-CB 4.14Å; F242-D244 HydrophobicContact CE1-CB 3.62Å; F242-D244 HydrophobicContact CZ-CB 3.9Å
245	A	96.4	Very high	90.3	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.008	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.7	178	0	0	0	0	0	111.1	L169 C174 S175 K196 L197	L169-A245 HydrophobicContact CD1-CB 4.07Å; L169-A245 HydrophobicContact CD2-CB 4.04Å; L169-A245 HydrophobicContact CG-CB 4.49Å; C174-A245 HydrophobicContact CB-CB 4.07Å; S175-A245 CarbonylContact O-C 3.57Å; S175-A245 VanDerWaalsContact O-CA 3.24Å; S175-A245 WeakPolarHBondContact O-CA 3.47Å; K196-A245 CarbonylContact C-O 3.55Å; K196-A245 WeakPolarHBondContact CA-O 3.49Å; K196-A245 WeakPolarHBondContact CB-O 3.35Å; L197-A245 HydrophobicContact CB-CB 4.06Å; L197-A245 PolarHBondContact N-O 2.99Å; L197-A245 PolarHBondContact O-N 2.79Å
246	T	92.5	Very high	89.9	Confident	32 Å²	32	78.8 Å²	78.8	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.6	174.9	55.3	0	0	0	0	111.1	C174 S175 K196	C174-T246 WeakPolarHBondContact CA-O 3.34Å; S175-T246 PolarHBondContact N-O 2.89Å; S175-T246 PolarHBondContact O-N 2.57Å; K196-T246 HydrophobicContact CB-CG2 4.04Å
247	R	80.4	Confident	89.6	Confident	133 Å²	133	81.3 Å²	81.3	50%	0.502	36%	0.356	S	S	.	.			trans	-115	114.2	174.2	-158.5	176.6	89.8	-173.3	6.1	109.3	D195 R249	D195-R247 PolarHBondContact O-N 2.82Å; R247-R249 PolarHBondContact O-N 3.12Å
248	R	64.8	Low	89.1	Confident	209 Å²	209	71.9 Å²	71.9	79%	0.789	32%	0.315	S	S	*	.			trans	-75.2	113.5	168.8	-73.2	-171.1	173.4	172.3	0.3	108.4	E194	E194-R248 IonicContact OE1-NE 3.76Å; E194-R248 PolarHBondContact OE1-NE 3.43Å; E194-R248 IonicContact OE1-NH2 3.84Å
249	R	56.4	Low	88.6	Confident	246 Å²	246	68.3 Å²	68.3	93%	0.928	29%	0.289	S	S	*	.			trans	-76.4	0	168.1	-75.8	-170.9	-177	-174.2	1	110.3	D195 R247	D195-R249 IonicContact OD2-NE 3.72Å; R247-R249 PolarHBondContact O-N 3.12Å

Retrieved 249 of 249 residues in 84.8 ms (Link to these results)

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