A0A3Q0KJ51_SCHMA Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KJ51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 266 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	34.6	Very low	244 Å²	244	170.9 Å²	170.9	100%	1.202	86%	0.855	S	S	*	*				0	112.6	0	-80.1	174.5	156	0	0	108.2
2	R	36.5	Very low	33.9	Very low	245 Å²	245	164.6 Å²	164.6	93%	0.925	84%	0.839	S	S	*	*			trans	-100.2	124.6	178.2	-75	179.6	174.9	176.4	-1.8	108.7
3	P	38.6	Very low	33.3	Very low	116 Å²	116	166.2 Å²	166.2	75%	0.753	84%	0.836	S	S	*	*			trans	-89.3	122.5	164	24.9	-13	0	0	0	110.8
4	S	34.6	Very low	32.8	Very low	96 Å²	96	161.5 Å²	161.5	67%	0.671	84%	0.836	S	S	*	*			trans	38.7	116.1	145.4	56.5	0	0	0	0	120.7	D6	S4-D6 VanDerWaalsContact C-N 3.28Å; S4-D6 PolarHBondContact O-N 3.26Å
5	R	39.7	Very low	32.3	Very low	226 Å²	226	161.8 Å²	161.8	85%	0.853	83%	0.829	S	S	*	*	S	Bend	trans	-77.9	16.9	175.6	-97.3	176	162.3	176.2	-6.6	115.4
6	D	38	Very low	31.7	Very low	144 Å²	144	161.6 Å²	161.6	77%	0.77	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	3.4	-162.5	-69.5	-43.7	0	0	0	117.1	S4	S4-D6 VanDerWaalsContact C-N 3.28Å; S4-D6 PolarHBondContact O-N 3.26Å
7	L	35.4	Very low	31.4	Very low	171 Å²	171	158.1 Å²	158.1	90%	0.895	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	0.7	175.6	-88	158	0	0	0	114.9	K9	L7-K9 VanDerWaalsContact C-N 3.33Å; L7-K9 PolarHBondContact O-N 3.34Å
8	L	33.4	Very low	31	Very low	156 Å²	156	155.8 Å²	155.8	82%	0.817	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	14.6	-175.1	-82.4	160.1	0	0	0	115.1
9	K	30.2	Very low	30.8	Very low	194 Å²	194	152.4 Å²	152.4	84%	0.843	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	4.1	-175.4	-99	178.9	178.5	175.8	0	116.7	L7	L7-K9 VanDerWaalsContact C-N 3.33Å; L7-K9 PolarHBondContact O-N 3.34Å
10	C	26.6	Very low	30.7	Very low	122 Å²	122	149.8 Å²	149.8	82%	0.824	79%	0.791	S	S	*	*	S	Bend	trans	-106.7	5.6	-177.1	-71.4	0	0	0	0	116.5	S12	C10-S12 PolarHBondContact O-N 3.46Å
11	I	31	Very low	30.6	Very low	166 Å²	166	150.3 Å²	150.3	85%	0.851	78%	0.783	S	S	*	*			trans	-102.9	59.2	171.4	-49.4	177.5	0	0	0	108.8
12	S	26	Very low	30.1	Very low	95 Å²	95	148.3 Å²	148.3	66%	0.664	76%	0.762	S	S	*	*			trans	-96.9	119.7	169.1	65.4	0	0	0	0	109.3	C10	C10-S12 PolarHBondContact O-N 3.46Å
13	K	26.4	Very low	29.7	Very low	185 Å²	185	141.8 Å²	141.8	80%	0.804	74%	0.738	S	S	*	*			trans	71	71.1	168.5	-59.3	176.7	177.6	173.4	0	116.1	K15	K13-K15 PolarHBondContact O-N 3.48Å
14	A	26.9	Very low	29.1	Very low	101 Å²	101	141.4 Å²	141.4	84%	0.835	74%	0.738	S	S	*	*			trans	-68.7	90.2	144.7	0	0	0	0	0	107.4	F16	A14-F16 PolarHBondContact O-N 3.12Å
15	K	24.8	Very low	28.9	Very low	166 Å²	166	140 Å²	140	72%	0.722	73%	0.729	S	S	*	*			trans	-59.7	125.7	164.9	-73.9	-179.6	175.9	178.7	0	106.6	K13 T17	K13-K15 PolarHBondContact O-N 3.48Å; K15-T17 HydrophobicContact CB-CG2 4.09Å; K15-T17 PolarHBondContact O-N 2.89Å
16	F	23.4	Very low	28.4	Very low	159 Å²	159	139.5 Å²	139.5	70%	0.697	73%	0.728	S	S	*	*			trans	-69	68.2	165.7	-148.6	-92.7	0	0	0	107.7	A14 S18	A14-F16 PolarHBondContact O-N 3.12Å; F16-S18 PolarHBondContact O-N 3.37Å
17	T	26	Very low	28	Very low	101 Å²	101	141.3 Å²	141.3	62%	0.62	73%	0.734	S	S	*	*			trans	-76.9	115.5	164.5	50.3	0	0	0	0	105.5	K15 S19	K15-T17 HydrophobicContact CB-CG2 4.09Å; K15-T17 PolarHBondContact O-N 2.89Å; T17-S19 PolarHBondContact O-N 3.03Å
18	S	24.8	Very low	27.8	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	73%	0.727	S	S	*	*			trans	-47.3	84.2	166.9	52.3	0	0	0	0	110.2	F16 V20	F16-S18 PolarHBondContact O-N 3.37Å; S18-V20 PolarHBondContact O-N 3.18Å
19	S	25.7	Very low	27.6	Very low	91 Å²	91	136.4 Å²	136.4	64%	0.636	73%	0.727	S	S	*	*			trans	-89.5	88.9	-177.1	168.8	0	0	0	0	108.3	T17	T17-S19 PolarHBondContact O-N 3.03Å
20	V	30.4	Very low	28	Very low	101 Å²	101	133.1 Å²	133.1	61%	0.612	72%	0.724	S	S	*	*			trans	62.7	88.3	144.3	-166.6	0	0	0	0	115.3	S18 R22	S18-V20 PolarHBondContact O-N 3.18Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 HydrophobicContact CG1-CB 4.32Å; V20-R22 HydrophobicContact CG1-CG 3.81Å; V20-R22 PolarHBondContact O-N 3Å
21	Y	28.4	Very low	28.3	Very low	161 Å²	161	135.2 Å²	135.2	63%	0.631	73%	0.727	S	S	*	*			trans	-63.3	94	147.8	-71	-82.3	0	0	0	108.2	Y23 S50 I69	Y21-Y23 PolarHBondContact O-N 3.35Å; Y21-S50 WeakPolarHBondContact OH-CB 3.44Å; Y21-I69 HydrophobicContact CE1-CD1 4.11Å
22	R	25.5	Very low	28.2	Very low	202 Å²	202	130.6 Å²	130.6	76%	0.762	72%	0.72	S	S	*	*			trans	-82.5	78.9	159.8	-99.9	-171.6	-155.6	175.8	8.5	107.5	V20	V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 HydrophobicContact CG1-CB 4.32Å; V20-R22 HydrophobicContact CG1-CG 3.81Å; V20-R22 PolarHBondContact O-N 3Å
23	Y	28.9	Very low	28.8	Very low	107 Å²	107	134.9 Å²	134.9	42%	0.42	73%	0.729	S	S	.	*			trans	-103	93.3	157.2	-143.1	-90.2	0	0	0	106.6	Y21 S25 K73	Y21-Y23 PolarHBondContact O-N 3.35Å; Y23-S25 PolarHBondContact O-N 2.76Å; Y23-K73 WeakPolarHBondContact OH-CE 3.48Å
24	S	25.5	Very low	29.2	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	74%	0.738	S	S	*	*			trans	-79.5	72.7	168.4	174	0	0	0	0	108.1
25	S	30.7	Very low	29.7	Very low	67 Å²	67	133.7 Å²	133.7	47%	0.469	72%	0.722	S	S	.	*			trans	-84.7	119.8	159.8	49.2	0	0	0	0	107.6	Y23 M27	Y23-S25 PolarHBondContact O-N 2.76Å; S25-M27 PolarHBondContact O-N 3.35Å
26	Y	29.5	Very low	30.6	Very low	216 Å²	216	136 Å²	136	85%	0.847	73%	0.732	S	S	*	*			trans	-43.6	107.9	169.9	-74.2	-94.2	0	0	0	110.2	S28	Y26-S28 PolarHBondContact O-N 2.99Å; Y26-S28 VanDerWaalsContact O-N 3.15Å
27	M	28.4	Very low	32	Very low	182 Å²	182	136.5 Å²	136.5	90%	0.897	74%	0.736	S	S	*	*			trans	-73.5	101.3	169.3	-76.6	-124.9	123.5	0	0	107.8	S25 S29	S25-M27 PolarHBondContact O-N 3.35Å; M27-S29 PolarHBondContact O-N 3.39Å
28	S	31.6	Very low	33.5	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	75%	0.75	S	S	*	*			trans	-69.3	106	164	-49.4	0	0	0	0	108.1	Y26 T30	Y26-S28 PolarHBondContact O-N 2.99Å; Y26-S28 VanDerWaalsContact O-N 3.15Å; S28-T30 PolarHBondContact O-N 3.27Å
29	S	29.2	Very low	35.4	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	73%	0.731	S	S	*	*			trans	-67.5	110.7	171.4	53	0	0	0	0	110.2	M27	M27-S29 PolarHBondContact O-N 3.39Å
30	T	38.9	Very low	37.9	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	72%	0.722	S	S	*	*			trans	-134.1	125.8	162.3	55	0	0	0	0	110.6	S28	S28-T30 PolarHBondContact O-N 3.27Å
31	N	32	Very low	40.3	Very low	166 Å²	166	139.3 Å²	139.3	89%	0.888	72%	0.724	S	S	*	*			trans	-60	146.3	-173.2	-67.8	-40.2	0	0	0	114.5
32	G	29.5	Very low	42.8	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	72%	0.721	S	S	*	*			trans	46.8	88.7	137.7	0	0	0	0	0	118.9
33	H	38.2	Very low	45.6	Very low	186 Å²	186	132.9 Å²	132.9	86%	0.861	71%	0.708	S	S	*	*			trans	-159.7	121.6	140.1	-103.1	-60.8	0	0	0	109	G35	H33-G35 PolarHBondContact O-N 2.99Å
34	E	34.5	Very low	48.3	Very low	212 Å²	212	131 Å²	131	99%	0.991	70%	0.703	S	S	*	*			trans	-67.8	81.7	170.8	-70.2	-173.8	159.8	0	0	110
35	G	37.8	Very low	51.2	Low	49 Å²	49	131.4 Å²	131.4	51%	0.505	69%	0.692	S	S	.	*	S	Bend	trans	-126.3	135.7	163	0	0	0	0	0	107.2	H33 Q37	H33-G35 PolarHBondContact O-N 2.99Å; G35-Q37 VanDerWaalsContact C-N 3.31Å; G35-Q37 PolarHBondContact O-N 3.32Å
36	K	44.3	Very low	53.9	Low	213 Å²	213	129.8 Å²	129.8	93%	0.926	68%	0.678	S	S	*	*			trans	-53.2	95.3	174.2	-70.7	178.8	178.5	178.8	0	109.1	R38	K36-R38 PolarHBondContact O-N 3.42Å
37	Q	51.4	Low	56.8	Low	170 Å²	170	124.9 Å²	124.9	79%	0.794	66%	0.662	S	S	*	*			trans	-64.1	120.1	178.2	-73.1	-179.5	-8.6	0	0	107.1	G35 I39	G35-Q37 VanDerWaalsContact C-N 3.31Å; G35-Q37 PolarHBondContact O-N 3.32Å; Q37-I39 PolarHBondContact O-N 2.77Å; Q37-I39 VanDerWaalsContact O-N 3.12Å
38	R	58.4	Low	59.7	Low	240 Å²	240	124.3 Å²	124.3	91%	0.906	65%	0.65	S	S	*	*			trans	-68.7	110	176.3	-73.5	-176.6	176.8	-175.2	-0.5	107.6	K36 P40	K36-R38 PolarHBondContact O-N 3.42Å; R38-P40 WeakPolarHBondContact O-CD 3.5Å
39	I	64.8	Low	62.6	Low	81 Å²	81	119.8 Å²	119.8	42%	0.415	62%	0.618	S	S	.	*			trans	-55.7	125.2	172.3	-58.3	168.6	0	0	0	107.9	Q37 E43 Q44	Q37-I39 PolarHBondContact O-N 2.77Å; Q37-I39 VanDerWaalsContact O-N 3.12Å; I39-E43 HydrophobicContact CG2-CB 3.53Å; I39-Q44 HydrophobicContact CB-CG 3.98Å; I39-Q44 HydrophobicContact CG2-CG 3.68Å; I39-Q44 PolarHBondContact O-NE2 3.48Å
40	P	78.1	Confident	65.6	Low	68 Å²	68	115.3 Å²	115.3	44%	0.442	59%	0.586	S	S	.	*			trans	-49.9	142.1	173.8	-27.5	34.4	0	0	0	111.8	R38 E42 E43 Q44	R38-P40 WeakPolarHBondContact O-CD 3.5Å; P40-E42 PolarHBondContact O-N 3.35Å; P40-E43 HydrophobicContact CB-CG 4.49Å; P40-E43 WeakPolarHBondContact CD-OE2 3.46Å; P40-E43 PolarHBondContact O-N 3.32Å; P40-Q44 PolarHBondContact O-N 3.26Å
41	A	80.7	Confident	68.1	Low	81 Å²	81	112.7 Å²	112.7	67%	0.669	57%	0.573	S	S	*	*	H	α-helix	trans	-56	-28.6	-176.1	0	0	0	0	0	113.3	K45	A41-K45 PolarHBondContact O-N 2.98Å
42	E	81	Confident	71.1	Confident	119 Å²	119	106.6 Å²	106.6	56%	0.556	54%	0.539	S	S	*	.	H	α-helix	trans	-71.4	-40.1	177.4	-60.1	-170.5	166.9	0	0	113.3	P40 Q44 K45 I46 K73	P40-E42 PolarHBondContact O-N 3.35Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-K45 WeakPolarHBondContact O-CB 3.45Å; E42-K45 PolarHBondContact O-N 3.46Å; E42-K45 VanDerWaalsContact O-N 3.17Å; E42-I46 WeakPolarHBondContact O-CG1 3.45Å; E42-I46 PolarHBondContact O-N 3.15Å; E42-K73 IonicContact OE2-NZ 3.69Å; E42-K73 PolarHBondContact OE2-NZ 3.46Å
43	E	84	Confident	74.1	Confident	108 Å²	108	103.3 Å²	103.3	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-39.5	177.6	-73.1	176.2	-166.1	0	0	110.6	I39 P40 K45 I46 E47	I39-E43 HydrophobicContact CG2-CB 3.53Å; P40-E43 HydrophobicContact CB-CG 4.49Å; P40-E43 WeakPolarHBondContact CD-OE2 3.46Å; P40-E43 PolarHBondContact O-N 3.32Å; E43-K45 VanDerWaalsContact C-N 3.25Å; E43-K45 PolarHBondContact O-N 3.25Å; E43-I46 PolarHBondContact O-N 3.03Å; E43-I46 VanDerWaalsContact O-N 3.14Å; E43-E47 PolarHBondContact O-N 2.97Å
44	Q	85.7	Confident	76.8	Confident	67 Å²	67	97 Å²	97	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-60.7	-36.1	172.7	-60.6	-177.8	15.7	0	0	112	I39 P40 E42 R48	I39-Q44 HydrophobicContact CB-CG 3.98Å; I39-Q44 HydrophobicContact CG2-CG 3.68Å; I39-Q44 PolarHBondContact O-NE2 3.48Å; P40-Q44 PolarHBondContact O-N 3.26Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-R48 WeakPolarHBondContact O-CB 3.37Å; Q44-R48 WeakPolarHBondContact O-CG 3.09Å; Q44-R48 PolarHBondContact O-N 3.39Å
45	K	86.6	Confident	79.7	Confident	118 Å²	118	90.4 Å²	90.4	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-43.9	175.6	-173.6	-176.5	177.7	-173.7	0	110.8	A41 E42 E43 E47 R48 L49	A41-K45 PolarHBondContact O-N 2.98Å; E42-K45 WeakPolarHBondContact O-CB 3.45Å; E42-K45 PolarHBondContact O-N 3.46Å; E42-K45 VanDerWaalsContact O-N 3.17Å; E43-K45 VanDerWaalsContact C-N 3.25Å; E43-K45 PolarHBondContact O-N 3.25Å; K45-E47 VanDerWaalsContact C-N 3.35Å; K45-R48 PolarHBondContact O-N 2.94Å; K45-L49 HydrophobicContact CG-CD1 4.27Å; K45-L49 VanDerWaalsContact O-CG 3.31Å; K45-L49 WeakPolarHBondContact O-CG 3.3Å; K45-L49 PolarHBondContact O-N 3.44Å
46	I	88.2	Confident	82.3	Confident	33 Å²	33	88 Å²	88	17%	0.169	42%	0.422	C	S	.	.	H	α-helix	trans	-61.5	-44.8	177.4	-65.7	163.7	0	0	0	110.5	E42 E43 R48 L49 S50 I69 K73	E42-I46 WeakPolarHBondContact O-CG1 3.45Å; E42-I46 PolarHBondContact O-N 3.15Å; E43-I46 PolarHBondContact O-N 3.03Å; E43-I46 VanDerWaalsContact O-N 3.14Å; I46-R48 VanDerWaalsContact C-N 3.35Å; I46-R48 PolarHBondContact O-N 3.09Å; I46-L49 PolarHBondContact O-N 3.4Å; I46-S50 PolarHBondContact O-N 3.26Å; I46-S50 PolarHBondContact O-OG 2.94Å; I46-I69 HydrophobicContact CG2-CD1 4.06Å; I46-K73 HydrophobicContact CD1-CB 4.44Å; I46-K73 HydrophobicContact CD1-CD 3.86Å; I46-K73 HydrophobicContact CD1-CG 3.89Å; I46-K73 HydrophobicContact CG1-CB 4.17Å; I46-K73 HydrophobicContact CG1-CD 4.33Å; I46-K73 HydrophobicContact CG1-CG 4.18Å
47	E	89.9	Confident	84.7	Confident	113 Å²	113	78.1 Å²	78.1	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-38.6	178.4	-171.6	-178.4	-171.9	0	0	112.6	E43 K45 S50 S51	E43-E47 PolarHBondContact O-N 2.97Å; K45-E47 VanDerWaalsContact C-N 3.35Å; E47-S50 WeakPolarHBondContact CA-OG 3.48Å; E47-S50 PolarHBondContact O-OG 3.05Å; E47-S51 VanDerWaalsContact O-CB 3.32Å; E47-S51 WeakPolarHBondContact O-CB 3.48Å; E47-S51 PolarHBondContact O-N 2.94Å; E47-S51 PolarHBondContact O-OG 2.92Å
48	R	89.9	Confident	86.7	Confident	170 Å²	170	76.8 Å²	76.8	64%	0.642	37%	0.374	S	S	*	.	H	α-helix	trans	-64.9	-42.2	173.5	-71.5	171.1	-163.4	179.1	8.1	111.4	Q44 K45 I46 F52	Q44-R48 WeakPolarHBondContact O-CB 3.37Å; Q44-R48 WeakPolarHBondContact O-CG 3.09Å; Q44-R48 PolarHBondContact O-N 3.39Å; K45-R48 PolarHBondContact O-N 2.94Å; I46-R48 VanDerWaalsContact C-N 3.35Å; I46-R48 PolarHBondContact O-N 3.09Å; R48-F52 VanDerWaalsContact O-CB 3.26Å; R48-F52 WeakPolarHBondContact O-CB 3.42Å; R48-F52 PolarHBondContact O-N 3.48Å
49	L	91.3	Very high	88.4	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.063	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-38.7	178.3	-70.6	174.9	0	0	0	112.1	K45 I46 F52 G53 I69 L75	K45-L49 HydrophobicContact CG-CD1 4.27Å; K45-L49 VanDerWaalsContact O-CG 3.31Å; K45-L49 WeakPolarHBondContact O-CG 3.3Å; K45-L49 PolarHBondContact O-N 3.44Å; I46-L49 PolarHBondContact O-N 3.4Å; L49-F52 PolarHBondContact O-N 3.42Å; L49-G53 PolarHBondContact O-N 3.46Å; L49-I69 HydrophobicContact CB-CD1 4.44Å; L49-L75 HydrophobicContact CB-CB 4.44Å; L49-L75 HydrophobicContact CD2-CB 4.28Å
50	S	91.5	Very high	89.8	Confident	22 Å²	22	65.3 Å²	65.3	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-46.5	175.6	58.6	0	0	0	0	111.2	Y21 I46 E47 F52 G53 V54	Y21-S50 WeakPolarHBondContact OH-CB 3.44Å; I46-S50 PolarHBondContact O-N 3.26Å; I46-S50 PolarHBondContact O-OG 2.94Å; E47-S50 WeakPolarHBondContact CA-OG 3.48Å; E47-S50 PolarHBondContact O-OG 3.05Å; S50-F52 VanDerWaalsContact C-N 3.33Å; S50-F52 PolarHBondContact O-N 2.76Å; S50-G53 PolarHBondContact O-N 2.95Å; S50-V54 WeakPolarHBondContact O-CG2 3.45Å; S50-V54 PolarHBondContact O-N 2.9Å
51	S	93.4	Very high	90.5	Very high	70 Å²	70	66.9 Å²	66.9	49%	0.49	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-43.9	177	-57.3	0	0	0	0	111.4	E47 V54 Y55	E47-S51 VanDerWaalsContact O-CB 3.32Å; E47-S51 WeakPolarHBondContact O-CB 3.48Å; E47-S51 PolarHBondContact O-N 2.94Å; E47-S51 PolarHBondContact O-OG 2.92Å; S51-V54 PolarHBondContact O-N 3.4Å; S51-Y55 WeakPolarHBondContact O-CB 3.32Å; S51-Y55 PolarHBondContact O-N 3.31Å
52	F	93.6	Very high	91.2	Very high	38 Å²	38	71.3 Å²	71.3	17%	0.167	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-40.4	175.3	-176.1	-94.2	0	0	0	111.9	R48 L49 S50 Y55 V56 L75 N96 A97 F99 I132	R48-F52 VanDerWaalsContact O-CB 3.26Å; R48-F52 WeakPolarHBondContact O-CB 3.42Å; R48-F52 PolarHBondContact O-N 3.48Å; L49-F52 PolarHBondContact O-N 3.42Å; S50-F52 VanDerWaalsContact C-N 3.33Å; S50-F52 PolarHBondContact O-N 2.76Å; F52-Y55 WeakPolarHBondContact O-CB 3.18Å; F52-Y55 PolarHBondContact O-N 3.46Å; F52-V56 HydrophobicContact CD1-CG2 3.97Å; F52-V56 HydrophobicContact CE1-CG2 3.41Å; F52-V56 VanDerWaalsContact CE1-CG2 3.41Å; F52-V56 HydrophobicContact CE2-CG2 4.3Å; F52-V56 HydrophobicContact CZ-CG2 3.62Å; F52-V56 WeakPolarHBondContact O-CG2 3.5Å; F52-V56 PolarHBondContact O-N 2.97Å; F52-L75 HydrophobicContact CD1-CD2 3.71Å; F52-L75 HydrophobicContact CE1-CD2 4.4Å; F52-N96 WeakPolarHBondContact CE2-O 3.33Å; F52-A97 HydrophobicContact CE2-CB 4.12Å; F52-A97 HydrophobicContact CZ-CB 3.66Å; F52-F99 HydrophobicContact CE1-CE2 4.13Å; F52-F99 AromaticContact CZ-CE2 3.93Å; F52-F99 HydrophobicContact CZ-CE2 3.93Å; F52-I132 HydrophobicContact CD1-CD1 3.74Å; F52-I132 HydrophobicContact CE1-CD1 3.23Å; F52-I132 HydrophobicContact CZ-CD1 4.19Å
53	G	93.3	Very high	91.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-46.1	176	0	0	0	0	0	113	L49 S50 Y55 V56 G57	L49-G53 PolarHBondContact O-N 3.46Å; S50-G53 PolarHBondContact O-N 2.95Å; G53-Y55 VanDerWaalsContact C-N 3.35Å; G53-V56 PolarHBondContact O-N 2.92Å; G53-G57 PolarHBondContact O-N 3.25Å
54	V	94	Very high	92.3	Very high	53 Å²	53	63 Å²	63	32%	0.321	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-45	174.2	174.5	0	0	0	0	110.5	S50 S51 V56 G57 E58	S50-V54 WeakPolarHBondContact O-CG2 3.45Å; S50-V54 PolarHBondContact O-N 2.9Å; S51-V54 PolarHBondContact O-N 3.4Å; V54-V56 PolarHBondContact O-N 2.95Å; V54-G57 WeakPolarHBondContact O-CA 3.37Å; V54-G57 PolarHBondContact O-N 2.99Å; V54-G57 VanDerWaalsContact O-N 3.09Å; V54-E58 HydrophobicContact CG1-CG 4.39Å; V54-E58 WeakPolarHBondContact O-CG 3.4Å; V54-E58 PolarHBondContact O-N 3.3Å
55	Y	95.1	Very high	92.7	Very high	73 Å²	73	65 Å²	65	29%	0.286	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-44.8	177.5	175.2	-105.1	0	0	0	113.1	S51 F52 G53 G57 E58 C59 F90 H94 N96	S51-Y55 WeakPolarHBondContact O-CB 3.32Å; S51-Y55 PolarHBondContact O-N 3.31Å; F52-Y55 WeakPolarHBondContact O-CB 3.18Å; F52-Y55 PolarHBondContact O-N 3.46Å; G53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-G57 VanDerWaalsContact C-N 3.34Å; Y55-E58 PolarHBondContact O-N 2.93Å; Y55-C59 WeakPolarHBondContact O-CB 3.39Å; Y55-C59 PolarHBondContact O-N 2.87Å; Y55-C59 PolarHBondContact O-SG 2.88Å; Y55-F90 HydrophobicContact CE1-CZ 4.44Å; Y55-H94 AromaticContact CE1-CD2 3.89Å; Y55-H94 AromaticContact CE1-NE2 3.45Å; Y55-H94 WeakPolarHBondContact CE1-NE2 3.21Å; Y55-H94 AromaticContact CZ-NE2 3.53Å; Y55-H94 PolarHBondContact OH-CE1 3.46Å; Y55-H94 PolarHBondContact OH-NE2 3.19Å; Y55-N96 HydrophobicContact CE1-CB 4.26Å
56	V	94.2	Very high	93.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-39.2	176.2	178.4	0	0	0	0	111.1	F52 G53 V54 E58 C59 L60 V64 I77 F90	F52-V56 HydrophobicContact CD1-CG2 3.97Å; F52-V56 HydrophobicContact CE1-CG2 3.41Å; F52-V56 VanDerWaalsContact CE1-CG2 3.41Å; F52-V56 HydrophobicContact CE2-CG2 4.3Å; F52-V56 HydrophobicContact CZ-CG2 3.62Å; F52-V56 WeakPolarHBondContact O-CG2 3.5Å; F52-V56 PolarHBondContact O-N 2.97Å; G53-V56 PolarHBondContact O-N 2.92Å; V54-V56 PolarHBondContact O-N 2.95Å; V56-E58 VanDerWaalsContact C-N 3.34Å; V56-E58 PolarHBondContact O-N 3.43Å; V56-C59 PolarHBondContact O-N 3.06Å; V56-L60 PolarHBondContact O-N 2.94Å; V56-V64 HydrophobicContact CG1-CG2 4.46Å; V56-I77 HydrophobicContact CB-CD1 4.26Å; V56-I77 HydrophobicContact CG1-CD1 3.9Å; V56-I77 HydrophobicContact CG2-CD1 4.45Å; V56-F90 HydrophobicContact CG1-CE1 4.32Å; V56-F90 HydrophobicContact CG2-CE1 4.27Å
57	G	93.3	Very high	93.4	Very high	5 Å²	5	64.9 Å²	64.9	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-39	175.1	0	0	0	0	0	113.4	G53 V54 Y55 P61	G53-G57 PolarHBondContact O-N 3.25Å; V54-G57 WeakPolarHBondContact O-CA 3.37Å; V54-G57 PolarHBondContact O-N 2.99Å; V54-G57 VanDerWaalsContact O-N 3.09Å; Y55-G57 VanDerWaalsContact C-N 3.34Å; G57-P61 WeakPolarHBondContact O-CA 3.28Å
58	E	94.1	Very high	93.5	Very high	141 Å²	141	62.4 Å²	62.4	66%	0.659	31%	0.31	S	S	*	.	H	α-helix	trans	-72.8	-35.8	176.5	-71.9	178.7	175.4	0	0	112.8	V54 Y55 V56 P61	V54-E58 HydrophobicContact CG1-CG 4.39Å; V54-E58 WeakPolarHBondContact O-CG 3.4Å; V54-E58 PolarHBondContact O-N 3.3Å; Y55-E58 PolarHBondContact O-N 2.93Å; V56-E58 VanDerWaalsContact C-N 3.34Å; V56-E58 PolarHBondContact O-N 3.43Å; E58-P61 WeakPolarHBondContact O-CD 3.19Å
59	C	93.5	Very high	93.6	Very high	50 Å²	50	56.1 Å²	56.1	34%	0.338	29%	0.289	S	S	.	.	H	α-helix	trans	-71.2	-36.5	178.4	-71	0	0	0	0	112.4	Y55 V56 P61 F90	Y55-C59 WeakPolarHBondContact O-CB 3.39Å; Y55-C59 PolarHBondContact O-N 2.87Å; Y55-C59 PolarHBondContact O-SG 2.88Å; V56-C59 PolarHBondContact O-N 3.06Å; C59-P61 VanDerWaalsContact C-CD 3.44Å; C59-F90 HydrophobicContact CB-CE1 4.45Å; C59-F90 HydrophobicContact CB-CE2 4.32Å; C59-F90 HydrophobicContact CB-CZ 3.84Å
60	L	93.7	Very high	93.3	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.162	29%	0.293	C	S	.	.			trans	-128.3	58.7	-174.9	-63.3	176.7	0	0	0	113.3	V56 K62 F63 V64 V87 F90	V56-L60 PolarHBondContact O-N 2.94Å; L60-K62 PolarHBondContact O-N 2.67Å; L60-K62 VanDerWaalsContact O-N 3.12Å; L60-F63 PolarHBondContact O-N 2.69Å; L60-V64 HydrophobicContact CB-CG2 4.18Å; L60-V64 WeakPolarHBondContact O-CG2 3.32Å; L60-V64 PolarHBondContact O-N 3.01Å; L60-V64 VanDerWaalsContact O-N 3.15Å; L60-V87 HydrophobicContact CD1-CB 4.5Å; L60-V87 HydrophobicContact CD1-CG2 4.02Å; L60-F90 HydrophobicContact CD1-CB 3.8Å; L60-F90 HydrophobicContact CD1-CD1 3.72Å; L60-F90 HydrophobicContact CD1-CD2 4.46Å; L60-F90 HydrophobicContact CD1-CE1 4.42Å; L60-F90 HydrophobicContact CD1-CG 3.74Å; L60-F90 HydrophobicContact CG-CG 4.47Å
61	P	93.8	Very high	92.8	Very high	100 Å²	100	62.1 Å²	62.1	65%	0.649	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.9	-176.5	29.1	-36.6	0	0	0	113	G57 E58 C59	G57-P61 WeakPolarHBondContact O-CA 3.28Å; E58-P61 WeakPolarHBondContact O-CD 3.19Å; C59-P61 VanDerWaalsContact C-CD 3.44Å
62	K	95.1	Very high	92.3	Very high	174 Å²	174	63.2 Å²	63.2	76%	0.757	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-34.6	179.1	-175.5	179.4	175.9	-172.2	0	112.6	L60	L60-K62 PolarHBondContact O-N 2.67Å; L60-K62 VanDerWaalsContact O-N 3.12Å
63	F	94.9	Very high	91.9	Very high	33 Å²	33	64.4 Å²	64.4	15%	0.145	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-32.2	-169.5	-58.1	-65.7	0	0	0	112.8	L60 Q65 I79 H80 P86 V87	L60-F63 PolarHBondContact O-N 2.69Å; F63-Q65 PolarHBondContact O-N 3.19Å; F63-I79 VanDerWaalsContact O-CA 3.3Å; F63-I79 WeakPolarHBondContact O-CA 3.33Å; F63-H80 PolarHBondContact O-N 3.21Å; F63-P86 HydrophobicContact CD2-CB 4.16Å; F63-P86 HydrophobicContact CE1-CG 4.46Å; F63-P86 HydrophobicContact CE2-CB 3.67Å; F63-P86 HydrophobicContact CE2-CG 3.91Å; F63-P86 HydrophobicContact CZ-CB 4.1Å; F63-P86 HydrophobicContact CZ-CG 3.8Å; F63-V87 HydrophobicContact CB-CG2 3.79Å; F63-V87 HydrophobicContact CD2-CG2 4.46Å; F63-V87 HydrophobicContact CG-CG2 4.39Å
64	V	94.6	Very high	91.8	Very high	19 Å²	19	67.6 Å²	67.6	12%	0.115	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.5	-179	-179.4	0	0	0	0	109.6	V56 L60 V67 I77 I79	V56-V64 HydrophobicContact CG1-CG2 4.46Å; L60-V64 HydrophobicContact CB-CG2 4.18Å; L60-V64 WeakPolarHBondContact O-CG2 3.32Å; L60-V64 PolarHBondContact O-N 3.01Å; L60-V64 VanDerWaalsContact O-N 3.15Å; V64-V67 HydrophobicContact CG1-CG2 3.62Å; V64-I77 HydrophobicContact CG1-CG2 3.83Å; V64-I77 HydrophobicContact CG2-CG2 3.95Å; V64-I79 HydrophobicContact CG2-CG2 4.32Å
65	Q	94	Very high	91.8	Very high	109 Å²	109	65 Å²	65	51%	0.509	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-43.5	178.8	-65.4	179.7	-10.3	0	0	111.7	F63 C78 Y137	F63-Q65 PolarHBondContact O-N 3.19Å; Q65-C78 PolarHBondContact N-O 3.03Å; Q65-Y137 PolarHBondContact NE2-OH 3.31Å
66	K	93.8	Very high	91.9	Very high	108 Å²	108	62.6 Å²	62.6	47%	0.47	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.2	-175.6	-169.6	-175	-176.6	-166	0	109.6	Q68 C78	K66-Q68 VanDerWaalsContact CE-OE1 3.28Å; K66-C78 HydrophobicContact CB-CB 4.05Å; K66-C78 PolarHBondContact N-O 2.72Å; K66-C78 PolarHBondContact O-N 3.34Å
67	V	94.4	Very high	91.9	Very high	41 Å²	41	62.6 Å²	62.6	25%	0.248	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.1	168.9	-178.6	0	0	0	0	107.3	V64 L75 I77	V64-V67 HydrophobicContact CG1-CG2 3.62Å; V67-L75 HydrophobicContact CG1-CD1 3.56Å; V67-I77 HydrophobicContact CG2-CG2 4.5Å
68	Q	93.1	Very high	92	Very high	61 Å²	61	63.4 Å²	63.4	29%	0.285	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.4	179.5	65.7	-172	11.6	0	0	110.7	K66 E76	K66-Q68 VanDerWaalsContact CE-OE1 3.28Å; Q68-E76 HydrophobicContact CG-CB 3.81Å; Q68-E76 PolarHBondContact N-O 3.31Å; Q68-E76 PolarHBondContact NE2-OE2 2.97Å; Q68-E76 PolarHBondContact O-N 2.84Å
69	I	92.1	Very high	92.1	Very high	39 Å²	39	56.7 Å²	56.7	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.4	170.1	-60.3	-177.4	0	0	0	106.5	Y21 I46 L49 E74 L75	Y21-I69 HydrophobicContact CE1-CD1 4.11Å; I46-I69 HydrophobicContact CG2-CD1 4.06Å; L49-I69 HydrophobicContact CB-CD1 4.44Å; I69-E74 CarbonylContact C-O 3.46Å; I69-E74 WeakPolarHBondContact CA-O 3.31Å; I69-L75 HydrophobicContact CG1-CD1 4.23Å
70	G	83.4	Confident	92.2	Very high	14 Å²	14	57.3 Å²	57.3	14%	0.144	29%	0.288	C	S	.	.			trans	-65.6	163.6	177.9	0	0	0	0	0	111.7	T72 K73 E74	G70-T72 PolarHBondContact O-N 2.86Å; G70-T72 VanDerWaalsContact O-N 3.14Å; G70-K73 PolarHBondContact O-N 2.81Å; G70-E74 PolarHBondContact N-O 3.38Å
71	H	81.8	Confident	92.3	Very high	146 Å²	146	56.9 Å²	56.9	68%	0.676	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.3	174.6	-177.7	63.7	0	0	0	112.3	K73	H71-K73 PolarHBondContact O-N 3.18Å; H71-K73 VanDerWaalsContact O-N 3.12Å
72	T	82.9	Confident	92.3	Very high	92 Å²	92	57.4 Å²	57.4	56%	0.564	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	8	173.9	53.9	0	0	0	0	114.4	G70 E74	G70-T72 PolarHBondContact O-N 2.86Å; G70-T72 VanDerWaalsContact O-N 3.14Å; T72-E74 VanDerWaalsContact C-N 3.28Å; T72-E74 PolarHBondContact O-N 2.99Å; T72-E74 PolarHBondContact OG1-OE2 3.3Å
73	K	85.2	Confident	92.2	Very high	63 Å²	63	49.1 Å²	49.1	27%	0.274	25%	0.249	S	C	.	.	S	Bend	trans	61.2	33.3	-178.6	-54	170.7	176.6	169.7	0	113.3	Y23 E42 I46 G70 H71	Y23-K73 WeakPolarHBondContact OH-CE 3.48Å; E42-K73 IonicContact OE2-NZ 3.69Å; E42-K73 PolarHBondContact OE2-NZ 3.46Å; I46-K73 HydrophobicContact CD1-CB 4.44Å; I46-K73 HydrophobicContact CD1-CD 3.86Å; I46-K73 HydrophobicContact CD1-CG 3.89Å; I46-K73 HydrophobicContact CG1-CB 4.17Å; I46-K73 HydrophobicContact CG1-CD 4.33Å; I46-K73 HydrophobicContact CG1-CG 4.18Å; G70-K73 PolarHBondContact O-N 2.81Å; H71-K73 PolarHBondContact O-N 3.18Å; H71-K73 VanDerWaalsContact O-N 3.12Å
74	E	90.7	Very high	92.2	Very high	67 Å²	67	47.6 Å²	47.6	31%	0.313	24%	0.242	S	C	.	.			trans	-109.6	142.6	178.2	-65.4	179.2	156	0	0	110.7	I69 G70 T72 R133	I69-E74 CarbonylContact C-O 3.46Å; I69-E74 WeakPolarHBondContact CA-O 3.31Å; G70-E74 PolarHBondContact N-O 3.38Å; T72-E74 VanDerWaalsContact C-N 3.28Å; T72-E74 PolarHBondContact O-N 2.99Å; T72-E74 PolarHBondContact OG1-OE2 3.3Å; E74-R133 IonicContact OE2-CZ 3.48Å; E74-R133 VanDerWaalsContact OE2-CZ 3.29Å; E74-R133 IonicContact OE2-NE 3.31Å; E74-R133 PolarHBondContact OE2-NE 3.15Å; E74-R133 IonicContact OE2-NH2 3.82Å; E74-R133 PolarHBondContact OE2-NH2 2.96Å
75	L	94.4	Very high	92.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.5	177.6	-178	64.7	0	0	0	110.4	L49 F52 V67 I69 I77 I132 R133	L49-L75 HydrophobicContact CB-CB 4.44Å; L49-L75 HydrophobicContact CD2-CB 4.28Å; F52-L75 HydrophobicContact CD1-CD2 3.71Å; F52-L75 HydrophobicContact CE1-CD2 4.4Å; V67-L75 HydrophobicContact CG1-CD1 3.56Å; I69-L75 HydrophobicContact CG1-CD1 4.23Å; L75-I77 HydrophobicContact CG-CG1 4.35Å; L75-I132 HydrophobicContact CB-CG1 4.4Å; L75-I132 HydrophobicContact CD2-CD1 3.84Å; L75-I132 HydrophobicContact CD2-CG1 4.1Å; L75-R133 PolarHBondContact O-N 2.84Å
76	E	95.9	Very high	92.3	Very high	21 Å²	21	46.7 Å²	46.7	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.8	174.8	-61.9	178.1	-172.7	0	0	110.1	Q68 R133 L135	Q68-E76 HydrophobicContact CG-CB 3.81Å; Q68-E76 PolarHBondContact N-O 3.31Å; Q68-E76 PolarHBondContact NE2-OE2 2.97Å; Q68-E76 PolarHBondContact O-N 2.84Å; E76-R133 CarbonylContact C-O 3.39Å; E76-R133 VanDerWaalsContact CA-O 3.3Å; E76-R133 WeakPolarHBondContact CA-O 3.3Å; E76-R133 VanDerWaalsContact CD-NH1 3.34Å; E76-R133 HydrophobicContact CG-CB 4.24Å; E76-R133 IonicContact OE1-CZ 3.23Å; E76-R133 IonicContact OE1-NH1 3.75Å; E76-R133 PolarHBondContact OE1-NH1 3.29Å; E76-R133 IonicContact OE1-NH2 2.79Å; E76-R133 PolarHBondContact OE1-NH2 2.83Å; E76-L135 HydrophobicContact CB-CD1 4.07Å; E76-L135 HydrophobicContact CG-CD1 4.33Å; E76-L135 WeakPolarHBondContact OE2-CD1 3.32Å
77	I	95.4	Very high	92.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.3	177.8	-53.9	179.5	0	0	0	107.8	V56 V64 V67 L75 I79 I132 R133 V134 L135	V56-I77 HydrophobicContact CB-CD1 4.26Å; V56-I77 HydrophobicContact CG1-CD1 3.9Å; V56-I77 HydrophobicContact CG2-CD1 4.45Å; V64-I77 HydrophobicContact CG1-CG2 3.83Å; V64-I77 HydrophobicContact CG2-CG2 3.95Å; V67-I77 HydrophobicContact CG2-CG2 4.5Å; L75-I77 HydrophobicContact CG-CG1 4.35Å; I77-I79 HydrophobicContact CG2-CG2 3.84Å; I77-I132 HydrophobicContact CD1-CG2 3.96Å; I77-I132 HydrophobicContact CG1-CG2 4.21Å; I77-R133 PolarHBondContact N-O 3.22Å; I77-V134 CarbonylContact O-C 3.58Å; I77-V134 WeakPolarHBondContact O-CA 3.38Å; I77-L135 PolarHBondContact O-N 3.29Å
78	C	95.9	Very high	92.5	Very high	22 Å²	22	39.6 Å²	39.6	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.5	175.3	-56.6	0	0	0	0	109.6	Q65 K66 L135	Q65-C78 PolarHBondContact N-O 3.03Å; K66-C78 HydrophobicContact CB-CB 4.05Å; K66-C78 PolarHBondContact N-O 2.72Å; K66-C78 PolarHBondContact O-N 3.34Å; C78-L135 WeakPolarHBondContact CA-O 3.44Å
79	I	96.2	Very high	92.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.1	-176.4	63.6	164.5	0	0	0	111.6	F63 V64 I77 I84 V87 V134 L135 T136	F63-I79 VanDerWaalsContact O-CA 3.3Å; F63-I79 WeakPolarHBondContact O-CA 3.33Å; V64-I79 HydrophobicContact CG2-CG2 4.32Å; I77-I79 HydrophobicContact CG2-CG2 3.84Å; I79-I84 HydrophobicContact CD1-CG1 3.89Å; I79-V87 HydrophobicContact CD1-CB 4.29Å; I79-V87 HydrophobicContact CD1-CG2 4.46Å; I79-V87 HydrophobicContact CG2-CG1 4.17Å; I79-V87 HydrophobicContact CG2-CG2 4.09Å; I79-V134 HydrophobicContact CD1-CG1 3.46Å; I79-V134 VanDerWaalsContact CD1-CG1 3.46Å; I79-V134 HydrophobicContact CG1-CG1 3.71Å; I79-V134 HydrophobicContact CG2-CG1 4.06Å; I79-L135 WeakPolarHBondContact CG1-O 3.45Å; I79-L135 PolarHBondContact N-O 3.4Å; I79-T136 HydrophobicContact CD1-CG2 3.36Å; I79-T136 HydrophobicContact CG1-CG2 3.24Å
80	H	95.7	Very high	92.8	Very high	62 Å²	62	39.2 Å²	39.2	29%	0.287	21%	0.211	S	C	.	.			trans	-70.5	143.8	167.7	-168	-84.6	0	0	0	110.5	F63 D82 G83 Y137	F63-H80 PolarHBondContact O-N 3.21Å; H80-D82 VanDerWaalsContact C-N 3.34Å; H80-D82 IonicContact CE1-OD1 3.35Å; H80-D82 PolarHBondContact CE1-OD1 2.76Å; H80-D82 VanDerWaalsContact CE1-OD1 3.32Å; H80-D82 IonicContact CE1-OD2 3.73Å; H80-D82 PolarHBondContact CE1-OD2 3.17Å; H80-D82 VanDerWaalsContact ND1-CG 3.35Å; H80-D82 PolarHBondContact ND1-N 3.22Å; H80-D82 IonicContact ND1-OD1 3.6Å; H80-D82 PolarHBondContact ND1-OD1 2.84Å; H80-D82 IonicContact ND1-OD2 3.69Å; H80-D82 PolarHBondContact O-N 3.27Å; H80-G83 WeakPolarHBondContact O-CA 3.28Å; H80-G83 PolarHBondContact O-N 2.93Å; H80-Y137 PolarHBondContact CD2-OH 3.41Å
81	P	94.2	Very high	93.3	Very high	23 Å²	23	38.6 Å²	38.6	15%	0.149	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.7	-41.9	-179.4	18.5	-32.5	0	0	0	114	G83 I84 Y137 I144	P81-G83 PolarHBondContact O-N 2.94Å; P81-I84 VanDerWaalsContact O-CD1 3.26Å; P81-I84 WeakPolarHBondContact O-CD1 3.43Å; P81-I84 VanDerWaalsContact O-CG1 3.23Å; P81-I84 WeakPolarHBondContact O-CG1 3.39Å; P81-I84 PolarHBondContact O-N 2.52Å; P81-Y137 HydrophobicContact CG-CE2 4.18Å; P81-I144 HydrophobicContact CB-CG1 4.47Å
82	D	93.8	Very high	94	Very high	111 Å²	111	35 Å²	35	59%	0.594	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-59.8	-13.6	175.7	-51.7	3.4	0	0	0	114.5	H80	H80-D82 VanDerWaalsContact C-N 3.34Å; H80-D82 IonicContact CE1-OD1 3.35Å; H80-D82 PolarHBondContact CE1-OD1 2.76Å; H80-D82 VanDerWaalsContact CE1-OD1 3.32Å; H80-D82 IonicContact CE1-OD2 3.73Å; H80-D82 PolarHBondContact CE1-OD2 3.17Å; H80-D82 VanDerWaalsContact ND1-CG 3.35Å; H80-D82 PolarHBondContact ND1-N 3.22Å; H80-D82 IonicContact ND1-OD1 3.6Å; H80-D82 PolarHBondContact ND1-OD1 2.84Å; H80-D82 IonicContact ND1-OD2 3.69Å; H80-D82 PolarHBondContact O-N 3.27Å
83	G	93.3	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-97.5	5.1	-175.4	0	0	0	0	0	115.3	H80 P81 P86 V87	H80-G83 WeakPolarHBondContact O-CA 3.28Å; H80-G83 PolarHBondContact O-N 2.93Å; P81-G83 PolarHBondContact O-N 2.94Å; G83-P86 WeakPolarHBondContact O-CD 3.48Å; G83-V87 VanDerWaalsContact O-CB 3.32Å; G83-V87 WeakPolarHBondContact O-CB 3.18Å; G83-V87 WeakPolarHBondContact O-CG2 3.43Å; G83-V87 PolarHBondContact O-N 3.18Å
84	I	95.2	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-54.2	-172.8	-71.6	164.2	0	0	0	111.5	I79 P81 V87 L88 T136 I144	I79-I84 HydrophobicContact CD1-CG1 3.89Å; P81-I84 VanDerWaalsContact O-CD1 3.26Å; P81-I84 WeakPolarHBondContact O-CD1 3.43Å; P81-I84 VanDerWaalsContact O-CG1 3.23Å; P81-I84 WeakPolarHBondContact O-CG1 3.39Å; P81-I84 PolarHBondContact O-N 2.52Å; I84-V87 PolarHBondContact O-N 3.48Å; I84-L88 HydrophobicContact CG2-CD1 3.67Å; I84-L88 HydrophobicContact CG2-CG 4.36Å; I84-L88 VanDerWaalsContact O-CB 3.3Å; I84-L88 WeakPolarHBondContact O-CB 3.33Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.2Å; I84-T136 HydrophobicContact CD1-CG2 3.68Å; I84-T136 HydrophobicContact CG1-CG2 3.46Å; I84-T136 VanDerWaalsContact CG1-CG2 3.46Å; I84-I144 HydrophobicContact CD1-CB 4.42Å; I84-I144 HydrophobicContact CD1-CG1 4.38Å; I84-I144 HydrophobicContact CD1-CG2 3.27Å
85	I	95.5	Very high	95.1	Very high	58 Å²	58	37.5 Å²	37.5	30%	0.297	20%	0.202	S	C	.	.	H	α-helix	trans	-61	-51.6	-178.4	-64.9	170.4	0	0	0	111.5	V87 S89 D145 I150	I85-V87 PolarHBondContact O-N 3.33Å; I85-S89 WeakPolarHBondContact O-CB 3.34Å; I85-S89 PolarHBondContact O-N 2.71Å; I85-D145 HydrophobicContact CD1-CB 3.67Å; I85-D145 HydrophobicContact CG1-CB 4.09Å; I85-I150 HydrophobicContact CB-CD1 4.33Å; I85-I150 HydrophobicContact CG2-CD1 4.05Å; I85-I150 VanDerWaalsContact O-CD1 3.28Å; I85-I150 WeakPolarHBondContact O-CD1 3.26Å
86	P	95.6	Very high	94.9	Very high	51 Å²	51	41 Å²	41	33%	0.331	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-42.8	179.6	-26.1	35.3	0	0	0	113.8	F63 G83 F90	F63-P86 HydrophobicContact CD2-CB 4.16Å; F63-P86 HydrophobicContact CE1-CG 4.46Å; F63-P86 HydrophobicContact CE2-CB 3.67Å; F63-P86 HydrophobicContact CE2-CG 3.91Å; F63-P86 HydrophobicContact CZ-CB 4.1Å; F63-P86 HydrophobicContact CZ-CG 3.8Å; G83-P86 WeakPolarHBondContact O-CD 3.48Å; P86-F90 WeakPolarHBondContact O-CB 3.5Å; P86-F90 PolarHBondContact O-N 3.49Å
87	V	96	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-46.2	-178	174.1	0	0	0	0	110.7	L60 F63 I79 G83 I84 I85 S89 F90 L91 V134	L60-V87 HydrophobicContact CD1-CB 4.5Å; L60-V87 HydrophobicContact CD1-CG2 4.02Å; F63-V87 HydrophobicContact CB-CG2 3.79Å; F63-V87 HydrophobicContact CD2-CG2 4.46Å; F63-V87 HydrophobicContact CG-CG2 4.39Å; I79-V87 HydrophobicContact CD1-CB 4.29Å; I79-V87 HydrophobicContact CD1-CG2 4.46Å; I79-V87 HydrophobicContact CG2-CG1 4.17Å; I79-V87 HydrophobicContact CG2-CG2 4.09Å; G83-V87 VanDerWaalsContact O-CB 3.32Å; G83-V87 WeakPolarHBondContact O-CB 3.18Å; G83-V87 WeakPolarHBondContact O-CG2 3.43Å; G83-V87 PolarHBondContact O-N 3.18Å; I84-V87 PolarHBondContact O-N 3.48Å; I85-V87 PolarHBondContact O-N 3.33Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.06Å; V87-F90 PolarHBondContact O-N 3.01Å; V87-L91 HydrophobicContact CG1-CD1 3.93Å; V87-L91 HydrophobicContact CG1-CG 4.35Å; V87-L91 WeakPolarHBondContact O-CB 3.23Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 2.82Å; V87-V134 HydrophobicContact CG1-CG1 4.45Å
88	L	95.9	Very high	94.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-37.6	178.5	-69.4	-178.8	0	0	0	111.8	I84 L91 K92 Y121 L123 I150 F151	I84-L88 HydrophobicContact CG2-CD1 3.67Å; I84-L88 HydrophobicContact CG2-CG 4.36Å; I84-L88 VanDerWaalsContact O-CB 3.3Å; I84-L88 WeakPolarHBondContact O-CB 3.33Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.2Å; L88-L91 PolarHBondContact O-N 2.68Å; L88-K92 WeakPolarHBondContact O-CB 3.28Å; L88-K92 PolarHBondContact O-N 3.19Å; L88-Y121 HydrophobicContact CD1-CD1 4Å; L88-Y121 HydrophobicContact CD1-CE1 4.03Å; L88-Y121 HydrophobicContact CD1-CG 4.5Å; L88-Y121 HydrophobicContact CD2-CG 4.44Å; L88-L123 HydrophobicContact CD2-CD1 3.84Å; L88-I150 HydrophobicContact CB-CD1 3.61Å; L88-I150 HydrophobicContact CB-CG2 4.43Å; L88-F151 HydrophobicContact CB-CE2 4.26Å; L88-F151 HydrophobicContact CD2-CE2 4.37Å
89	S	95.5	Very high	94.2	Very high	52 Å²	52	41 Å²	41	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-44.4	175.3	-179.3	0	0	0	0	111.3	I85 V87 K92 C93	I85-S89 WeakPolarHBondContact O-CB 3.34Å; I85-S89 PolarHBondContact O-N 2.71Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.06Å; S89-K92 PolarHBondContact O-N 2.8Å; S89-C93 WeakPolarHBondContact O-CB 3.3Å; S89-C93 PolarHBondContact O-N 2.84Å
90	F	95.9	Very high	94.1	Very high	40 Å²	40	45.6 Å²	45.6	18%	0.175	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-46.8	174.6	176.3	-99.7	0	0	0	111.9	Y55 V56 C59 L60 P86 V87 K92 C93 H94	Y55-F90 HydrophobicContact CE1-CZ 4.44Å; V56-F90 HydrophobicContact CG1-CE1 4.32Å; V56-F90 HydrophobicContact CG2-CE1 4.27Å; C59-F90 HydrophobicContact CB-CE1 4.45Å; C59-F90 HydrophobicContact CB-CE2 4.32Å; C59-F90 HydrophobicContact CB-CZ 3.84Å; L60-F90 HydrophobicContact CD1-CB 3.8Å; L60-F90 HydrophobicContact CD1-CD1 3.72Å; L60-F90 HydrophobicContact CD1-CD2 4.46Å; L60-F90 HydrophobicContact CD1-CE1 4.42Å; L60-F90 HydrophobicContact CD1-CG 3.74Å; L60-F90 HydrophobicContact CG-CG 4.47Å; P86-F90 WeakPolarHBondContact O-CB 3.5Å; P86-F90 PolarHBondContact O-N 3.49Å; V87-F90 PolarHBondContact O-N 3.01Å; F90-K92 PolarHBondContact O-N 2.85Å; F90-C93 PolarHBondContact O-N 2.82Å; F90-H94 HydrophobicContact CD2-CB 4.04Å; F90-H94 HydrophobicContact CE2-CB 3.87Å; F90-H94 AromaticContact CE2-CD2 3.83Å; F90-H94 AromaticContact CE2-CG 3.61Å; F90-H94 AromaticContact CE2-ND1 3.93Å; F90-H94 HydrophobicContact CG-CB 4.46Å; F90-H94 HydrophobicContact CZ-CB 4.16Å; F90-H94 AromaticContact CZ-CD2 3.53Å; F90-H94 AromaticContact CZ-CG 3.79Å; F90-H94 AromaticContact CZ-NE2 3.99Å; F90-H94 WeakPolarHBondContact O-CB 3.06Å; F90-H94 PolarHBondContact O-N 2.81Å
91	L	95.2	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-26.5	178.9	-70.8	174.7	0	0	0	113.1	V87 L88 A97 F99 L123 V134	V87-L91 HydrophobicContact CG1-CD1 3.93Å; V87-L91 HydrophobicContact CG1-CG 4.35Å; V87-L91 WeakPolarHBondContact O-CB 3.23Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 2.82Å; L88-L91 PolarHBondContact O-N 2.68Å; L91-A97 CarbonylContact C-O 3.58Å; L91-A97 HydrophobicContact CD2-CB 4.18Å; L91-A97 CarbonylContact O-C 3.56Å; L91-A97 VanDerWaalsContact O-C 3.24Å; L91-F99 HydrophobicContact CB-CB 4.43Å; L91-F99 HydrophobicContact CB-CD2 4.26Å; L91-F99 HydrophobicContact CD2-CD2 4.14Å; L91-F99 HydrophobicContact CD2-CE2 4.41Å; L91-F99 VanDerWaalsContact O-CB 3.28Å; L91-F99 WeakPolarHBondContact O-CB 3.2Å; L91-F99 WeakPolarHBondContact O-CD2 3.17Å; L91-F99 PolarHBondContact O-N 2.93Å; L91-L123 HydrophobicContact CB-CD1 4.21Å; L91-L123 HydrophobicContact CD1-CD1 3.84Å; L91-V134 HydrophobicContact CD1-CG2 3.49Å; L91-V134 VanDerWaalsContact CD1-CG2 3.49Å
92	K	94.9	Very high	94.1	Very high	71 Å²	71	45.2 Å²	45.2	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-81.8	-44.2	176.4	-174.9	-178.8	175.5	-172.6	0	112.5	L88 S89 F90 L100 I150 F151	L88-K92 WeakPolarHBondContact O-CB 3.28Å; L88-K92 PolarHBondContact O-N 3.19Å; S89-K92 PolarHBondContact O-N 2.8Å; F90-K92 PolarHBondContact O-N 2.85Å; K92-L100 HydrophobicContact CG-CD2 4.4Å; K92-I150 HydrophobicContact CB-CG2 4.27Å; K92-I150 HydrophobicContact CD-CG2 3.62Å; K92-I150 PolarHBondContact NZ-O 2.93Å; K92-F151 HydrophobicContact CB-CE1 4.44Å; K92-F151 HydrophobicContact CB-CZ 4.04Å; K92-F151 HydrophobicContact CD-CD1 4.46Å; K92-F151 HydrophobicContact CD-CE1 3.98Å; K92-F151 HydrophobicContact CD-CZ 4.25Å; K92-F151 HydrophobicContact CG-CE1 4.18Å; K92-F151 HydrophobicContact CG-CZ 4.29Å
93	C	94.1	Very high	94.2	Very high	95 Å²	95	41.6 Å²	41.6	64%	0.642	22%	0.224	S	C	*	.	H	α-helix	trans	-98.6	-21.1	-165.9	-68.4	0	0	0	0	114.9	S89 F90	S89-C93 WeakPolarHBondContact O-CB 3.3Å; S89-C93 PolarHBondContact O-N 2.84Å; F90-C93 PolarHBondContact O-N 2.82Å
94	H	94.8	Very high	94.3	Very high	47 Å²	47	43.8 Å²	43.8	22%	0.218	24%	0.236	C	C	.	.			trans	-69.3	144.8	-173.3	-174.6	50.9	0	0	0	112.3	Y55 F90 N96 A97	Y55-H94 AromaticContact CE1-CD2 3.89Å; Y55-H94 AromaticContact CE1-NE2 3.45Å; Y55-H94 WeakPolarHBondContact CE1-NE2 3.21Å; Y55-H94 AromaticContact CZ-NE2 3.53Å; Y55-H94 PolarHBondContact OH-CE1 3.46Å; Y55-H94 PolarHBondContact OH-NE2 3.19Å; F90-H94 HydrophobicContact CD2-CB 4.04Å; F90-H94 HydrophobicContact CE2-CB 3.87Å; F90-H94 AromaticContact CE2-CD2 3.83Å; F90-H94 AromaticContact CE2-CG 3.61Å; F90-H94 AromaticContact CE2-ND1 3.93Å; F90-H94 HydrophobicContact CG-CB 4.46Å; F90-H94 HydrophobicContact CZ-CB 4.16Å; F90-H94 AromaticContact CZ-CD2 3.53Å; F90-H94 AromaticContact CZ-CG 3.79Å; F90-H94 AromaticContact CZ-NE2 3.99Å; F90-H94 WeakPolarHBondContact O-CB 3.06Å; F90-H94 PolarHBondContact O-N 2.81Å; H94-N96 VanDerWaalsContact C-N 3.29Å; H94-N96 PolarHBondContact O-N 2.9Å; H94-A97 CarbonylContact C-O 3.58Å; H94-A97 HydrophobicContact CB-CB 3.99Å; H94-A97 PolarHBondContact N-O 3.2Å; H94-A97 CarbonylContact O-C 3.54Å; H94-A97 PolarHBondContact O-N 3.35Å
95	H	93	Very high	94.4	Very high	133 Å²	133	43.9 Å²	43.9	62%	0.616	24%	0.236	S	C	*	.	S	Bend	trans	-60.7	-41.3	-176.4	-176.6	71.2	0	0	0	112.1	Q98 Y128	H95-Q98 WeakPolarHBondContact O-CG 3.45Å; H95-Q98 PolarHBondContact O-NE2 3.12Å; H95-Y128 PolarHBondContact O-OH 2.72Å
96	N	90.9	Very high	94.4	Very high	72 Å²	72	43.9 Å²	43.9	39%	0.385	24%	0.239	S	C	.	.	S	Bend	trans	-81	-17.5	178.4	-61.2	-18.2	0	0	0	112.6	F52 Y55 H94 Y128	F52-N96 WeakPolarHBondContact CE2-O 3.33Å; Y55-N96 HydrophobicContact CE1-CB 4.26Å; H94-N96 VanDerWaalsContact C-N 3.29Å; H94-N96 PolarHBondContact O-N 2.9Å; N96-Y128 WeakPolarHBondContact O-CE2 3.43Å
97	A	84.4	Confident	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.			trans	-121.7	92.6	179.2	0	0	0	0	0	108.9	F52 L91 H94 F99	F52-A97 HydrophobicContact CE2-CB 4.12Å; F52-A97 HydrophobicContact CZ-CB 3.66Å; L91-A97 CarbonylContact C-O 3.58Å; L91-A97 HydrophobicContact CD2-CB 4.18Å; L91-A97 CarbonylContact O-C 3.56Å; L91-A97 VanDerWaalsContact O-C 3.24Å; H94-A97 CarbonylContact C-O 3.58Å; H94-A97 HydrophobicContact CB-CB 3.99Å; H94-A97 PolarHBondContact N-O 3.2Å; H94-A97 CarbonylContact O-C 3.54Å; H94-A97 PolarHBondContact O-N 3.35Å; A97-F99 HydrophobicContact CB-CD2 4.07Å; A97-F99 HydrophobicContact CB-CE2 4.15Å
98	Q	92.8	Very high	94.4	Very high	38 Å²	38	44.1 Å²	44.1	18%	0.178	24%	0.24	C	C	.	.			trans	-108.2	57.7	-179.4	-66.3	177.6	17.5	0	0	110	H95 L100 S125 R127 Y128	H95-Q98 WeakPolarHBondContact O-CG 3.45Å; H95-Q98 PolarHBondContact O-NE2 3.12Å; Q98-L100 VanDerWaalsContact C-N 3.29Å; Q98-L100 PolarHBondContact O-N 2.88Å; Q98-S125 VanDerWaalsContact O-CA 3.3Å; Q98-S125 WeakPolarHBondContact O-CA 3.39Å; Q98-S125 WeakPolarHBondContact O-CB 3.34Å; Q98-S125 PolarHBondContact O-OG 2.59Å; Q98-R127 HydrophobicContact CB-CB 4.38Å; Q98-Y128 HydrophobicContact CB-CD2 4.46Å; Q98-Y128 HydrophobicContact CB-CE2 4.16Å; Q98-Y128 HydrophobicContact CG-CE2 4.14Å
99	F	94.7	Very high	94.4	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.026	24%	0.241	C	C	.	.			trans	-82.2	78.5	177.6	-67.7	-85.2	0	0	0	110	F52 L91 A97 L123 S125 S130 I132 F151	F52-F99 HydrophobicContact CE1-CE2 4.13Å; F52-F99 AromaticContact CZ-CE2 3.93Å; F52-F99 HydrophobicContact CZ-CE2 3.93Å; L91-F99 HydrophobicContact CB-CB 4.43Å; L91-F99 HydrophobicContact CB-CD2 4.26Å; L91-F99 HydrophobicContact CD2-CD2 4.14Å; L91-F99 HydrophobicContact CD2-CE2 4.41Å; L91-F99 VanDerWaalsContact O-CB 3.28Å; L91-F99 WeakPolarHBondContact O-CB 3.2Å; L91-F99 WeakPolarHBondContact O-CD2 3.17Å; L91-F99 PolarHBondContact O-N 2.93Å; A97-F99 HydrophobicContact CB-CD2 4.07Å; A97-F99 HydrophobicContact CB-CE2 4.15Å; F99-L123 HydrophobicContact CB-CB 3.96Å; F99-L123 HydrophobicContact CB-CD1 4.21Å; F99-L123 HydrophobicContact CD1-CB 3.9Å; F99-L123 HydrophobicContact CG-CB 4.19Å; F99-S125 VanDerWaalsContact CD1-N 3.33Å; F99-S130 WeakPolarHBondContact CE1-O 3.45Å; F99-I132 HydrophobicContact CD2-CD1 4.3Å; F99-I132 HydrophobicContact CE1-CB 4.01Å; F99-I132 HydrophobicContact CE1-CD1 3.77Å; F99-I132 HydrophobicContact CE1-CG1 3.59Å; F99-I132 HydrophobicContact CE2-CD1 3.37Å; F99-I132 HydrophobicContact CE2-CG1 4.16Å; F99-I132 HydrophobicContact CZ-CB 4.22Å; F99-I132 HydrophobicContact CZ-CD1 3.07Å; F99-I132 HydrophobicContact CZ-CG1 3.41Å; F99-I132 VanDerWaalsContact CZ-CG1 3.41Å; F99-F151 WeakPolarHBondContact O-CE1 3.37Å; F99-F151 WeakPolarHBondContact O-CZ 3.39Å
100	L	93.9	Very high	94.4	Very high	98 Å²	98	43.6 Å²	43.6	51%	0.513	23%	0.233	S	C	.	.			trans	-77.9	-32.4	-175.7	-65.8	176.1	0	0	0	113	K92 Q98 L124 F151	K92-L100 HydrophobicContact CG-CD2 4.4Å; Q98-L100 VanDerWaalsContact C-N 3.29Å; Q98-L100 PolarHBondContact O-N 2.88Å; L100-L124 PolarHBondContact N-O 3.01Å; L100-F151 WeakPolarHBondContact O-CE1 3.03Å
101	N	95	Very high	94.2	Very high	71 Å²	71	45.9 Å²	45.9	38%	0.38	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.1	-174.1	-171.2	26.4	0	0	0	110.8	L124	N101-L124 HydrophobicContact CB-CB 4.22Å; N101-L124 PolarHBondContact N-O 2.91Å; N101-L124 VanDerWaalsContact N-O 3.15Å; N101-L124 PolarHBondContact O-N 2.89Å
102	L	95.9	Very high	94.1	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.4	167.9	-179.8	138.6	0	0	0	107.7	I105 Y121 L123 F151 A153 S154 Y157	L102-I105 HydrophobicContact CD1-CD1 3.91Å; L102-I105 HydrophobicContact CD1-CG1 3.91Å; L102-I105 HydrophobicContact CD2-CD1 4.29Å; L102-I105 HydrophobicContact CD2-CG1 4.04Å; L102-I105 HydrophobicContact CG-CG1 4.37Å; L102-Y121 HydrophobicContact CD1-CD1 4.4Å; L102-L123 HydrophobicContact CB-CD2 4.09Å; L102-L123 HydrophobicContact CD1-CD2 4.06Å; L102-L123 HydrophobicContact CG-CD2 4.18Å; L102-F151 HydrophobicContact CB-CB 4.12Å; L102-F151 HydrophobicContact CB-CD1 3.94Å; L102-F151 HydrophobicContact CB-CD2 4.35Å; L102-F151 HydrophobicContact CB-CE1 4.44Å; L102-F151 HydrophobicContact CB-CG 3.89Å; L102-F151 HydrophobicContact CD1-CB 4Å; L102-F151 HydrophobicContact CD1-CD2 3.74Å; L102-F151 HydrophobicContact CD1-CE2 4.4Å; L102-F151 HydrophobicContact CD1-CG 3.94Å; L102-A153 HydrophobicContact CD2-CB 4.19Å; L102-S154 WeakPolarHBondContact CD1-OG 3.35Å; L102-Y157 HydrophobicContact CD2-CD2 3.8Å; L102-Y157 HydrophobicContact CD2-CE2 3.89Å
103	S	94.9	Very high	94	Very high	34 Å²	34	53.7 Å²	53.7	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-47	-176	-57.4	0	0	0	0	111.1	N122 Y157	S103-N122 PolarHBondContact N-O 3.02Å; S103-Y157 PolarHBondContact O-OH 3.37Å; S103-Y157 VanDerWaalsContact O-OH 3.09Å
104	D	96.4	Very high	93.9	Very high	46 Å²	46	57.8 Å²	57.8	25%	0.246	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	151.8	179.8	54.9	-57.3	0	0	0	110.9	N122 Y157	D104-N122 PolarHBondContact O-N 3.02Å; D104-N122 WeakPolarHBondContact OD1-CB 3.33Å; D104-N122 PolarHBondContact OD1-ND2 2.94Å; D104-N122 PolarHBondContact OD2-ND2 2.91Å; D104-Y157 HydrophobicContact CB-CE1 4.23Å
105	I	96.6	Very high	93.8	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.4	162.6	-57.2	167.3	0	0	0	106.1	L102 I119 V120 Y121 S154 Y157 E158 V161	L102-I105 HydrophobicContact CD1-CD1 3.91Å; L102-I105 HydrophobicContact CD1-CG1 3.91Å; L102-I105 HydrophobicContact CD2-CD1 4.29Å; L102-I105 HydrophobicContact CD2-CG1 4.04Å; L102-I105 HydrophobicContact CG-CG1 4.37Å; I105-I119 HydrophobicContact CG2-CG2 3.73Å; I105-V120 VanDerWaalsContact CA-O 3.31Å; I105-V120 WeakPolarHBondContact CA-O 3.39Å; I105-Y121 HydrophobicContact CB-CD1 4.5Å; I105-Y121 HydrophobicContact CD1-CD1 3.78Å; I105-Y121 HydrophobicContact CD1-CE1 3.58Å; I105-Y121 HydrophobicContact CG1-CD1 3.57Å; I105-Y121 HydrophobicContact CG1-CE1 3.82Å; I105-Y121 HydrophobicContact CG1-CG 4.44Å; I105-Y121 HydrophobicContact CG2-CD1 4.26Å; I105-Y121 HydrophobicContact CG2-CE1 4.05Å; I105-S154 WeakPolarHBondContact CD1-OG 3.31Å; I105-Y157 HydrophobicContact CB-CG 4.35Å; I105-E158 HydrophobicContact CD1-CG 4.1Å; I105-V161 HydrophobicContact CG2-CG2 4.35Å
106	T	95.4	Very high	93.9	Very high	58 Å²	58	55.2 Å²	55.2	36%	0.356	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.1	177.1	54	0	0	0	0	109.7	I119 V120	T106-I119 CarbonylContact O-C 3.3Å; T106-I119 WeakPolarHBondContact O-CA 3.37Å; T106-V120 PolarHBondContact N-O 2.96Å; T106-V120 PolarHBondContact O-N 3.25Å
107	A	96.1	Very high	94.1	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.5	168	0	0	0	0	0	109.2	Q118 I119 V161 Y165	A107-Q118 CarbonylContact C-O 3.54Å; A107-Q118 VanDerWaalsContact CA-O 3.29Å; A107-Q118 WeakPolarHBondContact CA-O 3.48Å; A107-I119 HydrophobicContact CB-CG1 4.22Å; A107-V161 HydrophobicContact CB-CG1 3.78Å; A107-V161 HydrophobicContact CB-CG2 4.32Å; A107-Y165 HydrophobicContact CB-CD1 4.3Å; A107-Y165 HydrophobicContact CB-CD2 3.56Å; A107-Y165 HydrophobicContact CB-CE2 3.79Å; A107-Y165 HydrophobicContact CB-CG 3.83Å; A107-Y165 WeakPolarHBondContact O-CE2 3.46Å; A107-Y165 PolarHBondContact O-OH 2.84Å
108	V	96.1	Very high	94.7	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.315	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.8	177.5	-175.5	0	0	0	0	107.4	I110 Q118 V120	V108-I110 HydrophobicContact CG1-CD1 4.21Å; V108-I110 HydrophobicContact CG1-CG1 4Å; V108-Q118 HydrophobicContact CB-CB 4.47Å; V108-Q118 PolarHBondContact N-O 3.17Å; V108-Q118 PolarHBondContact O-N 3.21Å; V108-V120 HydrophobicContact CG2-CG2 4.38Å
109	D	95.9	Very high	94.8	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.6	174.8	-178.7	10.7	0	0	0	110.7	R116 F117 Y165 R190 R191	D109-R116 VanDerWaalsContact CG-NE 3.35Å; D109-R116 WeakPolarHBondContact OD1-CD 3.46Å; D109-R116 WeakPolarHBondContact OD1-CG 3.35Å; D109-R116 IonicContact OD1-CZ 3.19Å; D109-R116 IonicContact OD1-NE 3.31Å; D109-R116 PolarHBondContact OD1-NE 3.14Å; D109-R116 IonicContact OD1-NH2 2.72Å; D109-R116 IonicContact OD2-CZ 2.79Å; D109-R116 IonicContact OD2-NE 2.82Å; D109-R116 PolarHBondContact OD2-NE 2.92Å; D109-R116 IonicContact OD2-NH2 3.68Å; D109-R116 PolarHBondContact OD2-NH2 3.32Å; D109-F117 HydrophobicContact CB-CD1 4.07Å; D109-F117 HydrophobicContact CB-CE1 4.01Å; D109-Y165 HydrophobicContact CB-CD1 4.02Å; D109-Y165 HydrophobicContact CB-CE1 3.87Å; D109-R190 VanDerWaalsContact OD2-CA 3.3Å; D109-R190 WeakPolarHBondContact OD2-CA 3.46Å; D109-R191 HydrophobicContact CB-CG 4.12Å; D109-R191 PolarHBondContact OD2-N 2.83Å
110	I	94.9	Very high	94.9	Very high	39 Å²	39	52.3 Å²	52.3	20%	0.2	27%	0.272	C	S	.	.			trans	-126.6	92.5	176.1	-56.6	170.6	0	0	0	107.9	V108 S112 R113 R116	V108-I110 HydrophobicContact CG1-CD1 4.21Å; V108-I110 HydrophobicContact CG1-CG1 4Å; I110-S112 WeakPolarHBondContact CG2-OG 3.2Å; I110-S112 PolarHBondContact O-N 2.81Å; I110-S112 VanDerWaalsContact O-N 3.14Å; I110-R113 HydrophobicContact CB-CG 4.4Å; I110-R113 VanDerWaalsContact CD1-CZ 3.41Å; I110-R113 VanDerWaalsContact CD1-NH1 3.35Å; I110-R113 HydrophobicContact CG2-CG 3.86Å; I110-R113 PolarHBondContact O-N 2.85Å; I110-R116 PolarHBondContact N-O 3.04Å
111	P	93.2	Very high	95.1	Very high	87 Å²	87	47.6 Å²	47.6	57%	0.565	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	-172.4	25.5	-35.1	0	0	0	114.2	R113 R191	P111-R113 PolarHBondContact O-N 2.82Å; P111-R191 HydrophobicContact CG-CB 4.35Å
112	S	92.5	Very high	95.1	Very high	111 Å²	111	45.7 Å²	45.7	78%	0.776	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-13.5	177.7	57.8	0	0	0	0	113.9	I110	I110-S112 WeakPolarHBondContact CG2-OG 3.2Å; I110-S112 PolarHBondContact O-N 2.81Å; I110-S112 VanDerWaalsContact O-N 3.14Å
113	R	92.2	Very high	95.1	Very high	125 Å²	125	45.5 Å²	45.5	47%	0.472	24%	0.236	S	C	.	.	S	Bend	trans	-93.9	149.8	-179	-67.2	179.9	180	171	4.6	110.8	I110 P111 Y115	I110-R113 HydrophobicContact CB-CG 4.4Å; I110-R113 VanDerWaalsContact CD1-CZ 3.41Å; I110-R113 VanDerWaalsContact CD1-NH1 3.35Å; I110-R113 HydrophobicContact CG2-CG 3.86Å; I110-R113 PolarHBondContact O-N 2.85Å; P111-R113 PolarHBondContact O-N 2.82Å; R113-Y115 VanDerWaalsContact C-N 3.26Å; R113-Y115 VanDerWaalsContact CB-O 3.32Å; R113-Y115 WeakPolarHBondContact CB-O 3.3Å; R113-Y115 PolarHBondContact O-N 2.92Å
114	K	91.8	Very high	95.2	Very high	181 Å²	181	45 Å²	45	79%	0.787	23%	0.23	S	C	*	.	S	Bend	trans	-57.7	-41.3	170.5	-177	-179.2	178.4	-176.4	0	112
115	Y	93.8	Very high	95.1	Very high	93 Å²	93	42.8 Å²	42.8	37%	0.365	22%	0.218	S	C	.	.	S	Bend	trans	-98.1	100.3	170.3	-60.8	-71.1	0	0	0	107.8	R113 Y137 T138 D139	R113-Y115 VanDerWaalsContact C-N 3.26Å; R113-Y115 VanDerWaalsContact CB-O 3.32Å; R113-Y115 WeakPolarHBondContact CB-O 3.3Å; R113-Y115 PolarHBondContact O-N 2.92Å; Y115-Y137 AromaticContact CD1-CD2 3.94Å; Y115-Y137 HydrophobicContact CD1-CD2 3.94Å; Y115-Y137 HydrophobicContact CD1-CE2 4.39Å; Y115-Y137 AromaticContact CD2-CD2 3.51Å; Y115-Y137 HydrophobicContact CD2-CD2 3.51Å; Y115-Y137 AromaticContact CD2-CE2 3.75Å; Y115-Y137 HydrophobicContact CD2-CE2 3.75Å; Y115-Y137 HydrophobicContact CD2-CG 4.39Å; Y115-Y137 HydrophobicContact CE1-CD2 4.38Å; Y115-Y137 HydrophobicContact CE1-CE2 4.38Å; Y115-Y137 AromaticContact CE2-CD2 4Å; Y115-Y137 HydrophobicContact CE2-CD2 4Å; Y115-Y137 AromaticContact CE2-CE2 3.75Å; Y115-Y137 HydrophobicContact CE2-CE2 3.75Å; Y115-Y137 AromaticContact CG-CD2 3.48Å; Y115-Y137 HydrophobicContact CG-CD2 3.48Å; Y115-Y137 VanDerWaalsContact CG-CD2 3.48Å; Y115-Y137 HydrophobicContact CG-CE2 4.09Å; Y115-Y137 HydrophobicContact CG-CG 4.37Å; Y115-T138 CarbonylContact C-O 3.57Å; Y115-D139 HydrophobicContact CD1-CB 4.14Å
116	R	93.8	Very high	94.9	Very high	32 Å²	32	48.2 Å²	48.2	12%	0.121	25%	0.247	C	C	.	.			trans	-63.8	-40.7	-169.9	179.9	172.5	-171.8	178.9	-0.1	112.7	D109 I110 T138 E140 D192	D109-R116 VanDerWaalsContact CG-NE 3.35Å; D109-R116 WeakPolarHBondContact OD1-CD 3.46Å; D109-R116 WeakPolarHBondContact OD1-CG 3.35Å; D109-R116 IonicContact OD1-CZ 3.19Å; D109-R116 IonicContact OD1-NE 3.31Å; D109-R116 PolarHBondContact OD1-NE 3.14Å; D109-R116 IonicContact OD1-NH2 2.72Å; D109-R116 IonicContact OD2-CZ 2.79Å; D109-R116 IonicContact OD2-NE 2.82Å; D109-R116 PolarHBondContact OD2-NE 2.92Å; D109-R116 IonicContact OD2-NH2 3.68Å; D109-R116 PolarHBondContact OD2-NH2 3.32Å; I110-R116 PolarHBondContact N-O 3.04Å; R116-T138 PolarHBondContact N-O 3.43Å; R116-E140 VanDerWaalsContact CD-OE1 3.23Å; R116-E140 WeakPolarHBondContact CD-OE1 3.18Å; R116-E140 IonicContact CZ-OE1 2.73Å; R116-E140 IonicContact NE-OE1 3.61Å; R116-E140 IonicContact NH1-OE1 2.8Å; R116-E140 PolarHBondContact NH1-OE1 3.21Å; R116-D192 IonicContact CZ-OD1 2.98Å; R116-D192 IonicContact NH1-OD1 3.14Å; R116-D192 IonicContact NH1-OD2 2.76Å; R116-D192 IonicContact NH2-OD1 3.6Å; R116-D192 PolarHBondContact NH2-OD1 2.74Å; R116-D192 IonicContact NH2-OD2 3.67Å
117	F	96.4	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.3	-174.1	-57.1	-58.1	0	0	0	110.9	D109 Y137 T138 E140 Y165 V167 R190	D109-F117 HydrophobicContact CB-CD1 4.07Å; D109-F117 HydrophobicContact CB-CE1 4.01Å; F117-Y137 CarbonylContact O-C 3.41Å; F117-Y137 VanDerWaalsContact O-CA 3.32Å; F117-Y137 WeakPolarHBondContact O-CA 3.49Å; F117-T138 HydrophobicContact CB-CG2 3.67Å; F117-T138 HydrophobicContact CD2-CG2 4.24Å; F117-T138 HydrophobicContact CG-CG2 4.46Å; F117-T138 PolarHBondContact N-O 3.26Å; F117-T138 PolarHBondContact O-N 3.14Å; F117-E140 HydrophobicContact CE2-CB 4.2Å; F117-E140 HydrophobicContact CE2-CG 3.78Å; F117-E140 HydrophobicContact CZ-CG 4.31Å; F117-Y165 AromaticContact CD1-CD1 4Å; F117-Y165 HydrophobicContact CD1-CD1 4Å; F117-Y165 AromaticContact CE1-CD1 3.98Å; F117-Y165 HydrophobicContact CE1-CD1 3.98Å; F117-Y165 VanDerWaalsContact CZ-O 3.29Å; F117-Y165 WeakPolarHBondContact CZ-O 3.29Å; F117-V167 HydrophobicContact CB-CG2 3.93Å; F117-V167 HydrophobicContact CD2-CG2 3.66Å; F117-V167 HydrophobicContact CE2-CG2 4.31Å; F117-V167 HydrophobicContact CG-CG2 3.8Å; F117-R190 HydrophobicContact CE1-CG 4.31Å; F117-R190 HydrophobicContact CZ-CG 4.31Å
118	Q	95.9	Very high	94.6	Very high	42 Å²	42	58.9 Å²	58.9	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.8	169.7	-179.3	169.1	21.7	0	0	108.7	A107 V108 T136	A107-Q118 CarbonylContact C-O 3.54Å; A107-Q118 VanDerWaalsContact CA-O 3.29Å; A107-Q118 WeakPolarHBondContact CA-O 3.48Å; V108-Q118 HydrophobicContact CB-CB 4.47Å; V108-Q118 PolarHBondContact N-O 3.17Å; V108-Q118 PolarHBondContact O-N 3.21Å; Q118-T136 CarbonylContact C-O 3.07Å; Q118-T136 WeakPolarHBondContact CA-O 3.34Å; Q118-T136 WeakPolarHBondContact CG-O 3.21Å
119	I	96.3	Very high	94.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.7	-180	-55.4	165.8	0	0	0	108.9	I105 T106 A107 Y121 L135 T136 T138 I144 V167 F169	I105-I119 HydrophobicContact CG2-CG2 3.73Å; T106-I119 CarbonylContact O-C 3.3Å; T106-I119 WeakPolarHBondContact O-CA 3.37Å; A107-I119 HydrophobicContact CB-CG1 4.22Å; I119-Y121 HydrophobicContact CB-CE2 4.46Å; I119-Y121 HydrophobicContact CG2-CD2 4.24Å; I119-Y121 HydrophobicContact CG2-CE2 3.65Å; I119-L135 WeakPolarHBondContact O-CA 3.49Å; I119-T136 WeakPolarHBondContact CB-OG1 3.36Å; I119-T136 PolarHBondContact N-O 3.15Å; I119-T136 PolarHBondContact O-N 3.47Å; I119-T136 PolarHBondContact O-OG1 3.38Å; I119-T138 HydrophobicContact CD1-CG2 4.12Å; I119-I144 HydrophobicContact CD1-CD1 3.14Å; I119-I144 HydrophobicContact CG1-CD1 4.46Å; I119-V167 HydrophobicContact CD1-CG1 3.81Å; I119-F169 HydrophobicContact CD1-CE1 4.44Å; I119-F169 HydrophobicContact CD1-CZ 4.28Å
120	V	96.5	Very high	94.1	Very high	13 Å²	13	64.1 Å²	64.1	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.9	-173.4	-173.4	0	0	0	0	108	I105 T106 V108 N122 R133 V134 L135	I105-V120 VanDerWaalsContact CA-O 3.31Å; I105-V120 WeakPolarHBondContact CA-O 3.39Å; T106-V120 PolarHBondContact N-O 2.96Å; T106-V120 PolarHBondContact O-N 3.25Å; V108-V120 HydrophobicContact CG2-CG2 4.38Å; V120-N122 WeakPolarHBondContact CG1-OD1 3.44Å; V120-R133 HydrophobicContact CG1-CB 4.43Å; V120-V134 WeakPolarHBondContact CA-O 3.38Å; V120-L135 HydrophobicContact CB-CD2 3.93Å; V120-L135 HydrophobicContact CG1-CD2 3.68Å; V120-L135 HydrophobicContact CG2-CD2 3.49Å; V120-L135 VanDerWaalsContact CG2-CD2 3.49Å
121	Y	96.8	Very high	94.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118	170.8	-61.9	-98.1	0	0	0	108.5	L88 L102 I105 I119 R133 V134 T136	L88-Y121 HydrophobicContact CD1-CD1 4Å; L88-Y121 HydrophobicContact CD1-CE1 4.03Å; L88-Y121 HydrophobicContact CD1-CG 4.5Å; L88-Y121 HydrophobicContact CD2-CG 4.44Å; L102-Y121 HydrophobicContact CD1-CD1 4.4Å; I105-Y121 HydrophobicContact CB-CD1 4.5Å; I105-Y121 HydrophobicContact CD1-CD1 3.78Å; I105-Y121 HydrophobicContact CD1-CE1 3.58Å; I105-Y121 HydrophobicContact CG1-CD1 3.57Å; I105-Y121 HydrophobicContact CG1-CE1 3.82Å; I105-Y121 HydrophobicContact CG1-CG 4.44Å; I105-Y121 HydrophobicContact CG2-CD1 4.26Å; I105-Y121 HydrophobicContact CG2-CE1 4.05Å; I119-Y121 HydrophobicContact CB-CE2 4.46Å; I119-Y121 HydrophobicContact CG2-CD2 4.24Å; I119-Y121 HydrophobicContact CG2-CE2 3.65Å; Y121-R133 CarbonylContact O-C 3.54Å; Y121-R133 WeakPolarHBondContact O-CA 3.32Å; Y121-V134 PolarHBondContact N-O 3.17Å; Y121-V134 PolarHBondContact O-N 3.16Å; Y121-T136 HydrophobicContact CE2-CG2 4.21Å
122	N	96.3	Very high	94.1	Very high	31 Å²	31	65.8 Å²	65.8	17%	0.166	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.1	178.4	-75	-19.4	0	0	0	109.3	S103 D104 V120 R133	S103-N122 PolarHBondContact N-O 3.02Å; D104-N122 PolarHBondContact O-N 3.02Å; D104-N122 WeakPolarHBondContact OD1-CB 3.33Å; D104-N122 PolarHBondContact OD1-ND2 2.94Å; D104-N122 PolarHBondContact OD2-ND2 2.91Å; V120-N122 WeakPolarHBondContact CG1-OD1 3.44Å; N122-R133 WeakPolarHBondContact OD1-CD 3.31Å; N122-R133 WeakPolarHBondContact OD1-CG 3.36Å
123	L	96	Very high	94.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.9	-173.9	-57.1	178.8	0	0	0	111	L88 L91 F99 L102 R131 I132 V134 F151	L88-L123 HydrophobicContact CD2-CD1 3.84Å; L91-L123 HydrophobicContact CB-CD1 4.21Å; L91-L123 HydrophobicContact CD1-CD1 3.84Å; F99-L123 HydrophobicContact CB-CB 3.96Å; F99-L123 HydrophobicContact CB-CD1 4.21Å; F99-L123 HydrophobicContact CD1-CB 3.9Å; F99-L123 HydrophobicContact CG-CB 4.19Å; L102-L123 HydrophobicContact CB-CD2 4.09Å; L102-L123 HydrophobicContact CD1-CD2 4.06Å; L102-L123 HydrophobicContact CG-CD2 4.18Å; L123-R131 WeakPolarHBondContact O-CA 3.39Å; L123-I132 PolarHBondContact N-O 2.88Å; L123-I132 PolarHBondContact O-N 2.82Å; L123-V134 HydrophobicContact CD1-CG2 4.39Å; L123-F151 HydrophobicContact CD2-CE2 3.91Å; L123-F151 HydrophobicContact CD2-CZ 3.92Å
124	L	95.4	Very high	94.5	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.12	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.8	177.8	174.2	69	0	0	0	110.2	L100 N101 L126 R131	L100-L124 PolarHBondContact N-O 3.01Å; N101-L124 HydrophobicContact CB-CB 4.22Å; N101-L124 PolarHBondContact N-O 2.91Å; N101-L124 VanDerWaalsContact N-O 3.15Å; N101-L124 PolarHBondContact O-N 2.89Å; L124-L126 HydrophobicContact CD2-CD2 3.92Å; L124-L126 HydrophobicContact CG-CD2 4.34Å; L124-R131 HydrophobicContact CD1-CG 3.7Å
125	S	94.4	Very high	94.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.7	166.6	-177	0	0	0	0	109.8	Q98 F99 Y128 N129 S130	Q98-S125 VanDerWaalsContact O-CA 3.3Å; Q98-S125 WeakPolarHBondContact O-CA 3.39Å; Q98-S125 WeakPolarHBondContact O-CB 3.34Å; Q98-S125 PolarHBondContact O-OG 2.59Å; F99-S125 VanDerWaalsContact CD1-N 3.33Å; S125-Y128 WeakPolarHBondContact OG-CD2 3.49Å; S125-Y128 PolarHBondContact OG-N 2.75Å; S125-N129 WeakPolarHBondContact O-CA 3.45Å; S125-N129 PolarHBondContact O-N 3.31Å; S125-S130 PolarHBondContact N-O 3.15Å; S125-S130 PolarHBondContact O-N 3.26Å
126	L	93.4	Very high	94.8	Very high	117 Å²	117	44.3 Å²	44.3	61%	0.613	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-35.9	176.6	-63.4	173.1	0	0	0	111.7	L124	L124-L126 HydrophobicContact CD2-CD2 3.92Å; L124-L126 HydrophobicContact CG-CD2 4.34Å
127	R	93.4	Very high	94.9	Very high	188 Å²	188	45.2 Å²	45.2	71%	0.709	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-44.7	-179.7	175.8	66.8	80.4	-179.2	8	112	Q98	Q98-R127 HydrophobicContact CB-CB 4.38Å
128	Y	91.1	Very high	94.9	Very high	97 Å²	97	45.3 Å²	45.3	38%	0.38	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.3	-176.4	-59.2	-68	0	0	0	113.1	H95 N96 Q98 S125 S130	H95-Y128 PolarHBondContact O-OH 2.72Å; N96-Y128 WeakPolarHBondContact O-CE2 3.43Å; Q98-Y128 HydrophobicContact CB-CD2 4.46Å; Q98-Y128 HydrophobicContact CB-CE2 4.16Å; Q98-Y128 HydrophobicContact CG-CE2 4.14Å; S125-Y128 WeakPolarHBondContact OG-CD2 3.49Å; S125-Y128 PolarHBondContact OG-N 2.75Å; Y128-S130 PolarHBondContact O-N 2.82Å; Y128-S130 VanDerWaalsContact O-N 3.15Å; Y128-S130 PolarHBondContact O-OG 3.48Å
129	N	91.5	Very high	94.8	Very high	136 Å²	136	45.6 Å²	45.6	73%	0.727	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.9	48.7	-173.7	-167.5	16.5	0	0	0	112.6	S125	S125-N129 WeakPolarHBondContact O-CA 3.45Å; S125-N129 PolarHBondContact O-N 3.31Å
130	S	91.5	Very high	94.5	Very high	31 Å²	31	49.4 Å²	49.4	22%	0.217	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.9	-172.9	-67.9	0	0	0	0	110.1	F99 S125 Y128	F99-S130 WeakPolarHBondContact CE1-O 3.45Å; S125-S130 PolarHBondContact N-O 3.15Å; S125-S130 PolarHBondContact O-N 3.26Å; Y128-S130 PolarHBondContact O-N 2.82Å; Y128-S130 VanDerWaalsContact O-N 3.15Å; Y128-S130 PolarHBondContact O-OG 3.48Å
131	R	93.8	Very high	94.3	Very high	157 Å²	157	56.3 Å²	56.3	59%	0.592	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.4	179.4	-66.9	-177	-179.4	-148.6	-1.6	110.4	L123 L124	L123-R131 WeakPolarHBondContact O-CA 3.39Å; L124-R131 HydrophobicContact CD1-CG 3.7Å
132	I	94.1	Very high	94.2	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.5	176.2	-66	-174.9	0	0	0	108.7	F52 L75 I77 F99 L123 V134	F52-I132 HydrophobicContact CD1-CD1 3.74Å; F52-I132 HydrophobicContact CE1-CD1 3.23Å; F52-I132 HydrophobicContact CZ-CD1 4.19Å; L75-I132 HydrophobicContact CB-CG1 4.4Å; L75-I132 HydrophobicContact CD2-CD1 3.84Å; L75-I132 HydrophobicContact CD2-CG1 4.1Å; I77-I132 HydrophobicContact CD1-CG2 3.96Å; I77-I132 HydrophobicContact CG1-CG2 4.21Å; F99-I132 HydrophobicContact CD2-CD1 4.3Å; F99-I132 HydrophobicContact CE1-CB 4.01Å; F99-I132 HydrophobicContact CE1-CD1 3.77Å; F99-I132 HydrophobicContact CE1-CG1 3.59Å; F99-I132 HydrophobicContact CE2-CD1 3.37Å; F99-I132 HydrophobicContact CE2-CG1 4.16Å; F99-I132 HydrophobicContact CZ-CB 4.22Å; F99-I132 HydrophobicContact CZ-CD1 3.07Å; F99-I132 HydrophobicContact CZ-CG1 3.41Å; F99-I132 VanDerWaalsContact CZ-CG1 3.41Å; L123-I132 PolarHBondContact N-O 2.88Å; L123-I132 PolarHBondContact O-N 2.82Å; I132-V134 HydrophobicContact CG2-CG2 4.28Å
133	R	95.9	Very high	94	Very high	49 Å²	49	61.1 Å²	61.1	19%	0.185	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.1	169.6	-52.9	-157.5	-101.2	110.6	11.6	109.7	E74 L75 E76 I77 V120 Y121 N122	E74-R133 IonicContact OE2-CZ 3.48Å; E74-R133 VanDerWaalsContact OE2-CZ 3.29Å; E74-R133 IonicContact OE2-NE 3.31Å; E74-R133 PolarHBondContact OE2-NE 3.15Å; E74-R133 IonicContact OE2-NH2 3.82Å; E74-R133 PolarHBondContact OE2-NH2 2.96Å; L75-R133 PolarHBondContact O-N 2.84Å; E76-R133 CarbonylContact C-O 3.39Å; E76-R133 VanDerWaalsContact CA-O 3.3Å; E76-R133 WeakPolarHBondContact CA-O 3.3Å; E76-R133 VanDerWaalsContact CD-NH1 3.34Å; E76-R133 HydrophobicContact CG-CB 4.24Å; E76-R133 IonicContact OE1-CZ 3.23Å; E76-R133 IonicContact OE1-NH1 3.75Å; E76-R133 PolarHBondContact OE1-NH1 3.29Å; E76-R133 IonicContact OE1-NH2 2.79Å; E76-R133 PolarHBondContact OE1-NH2 2.83Å; I77-R133 PolarHBondContact N-O 3.22Å; V120-R133 HydrophobicContact CG1-CB 4.43Å; Y121-R133 CarbonylContact O-C 3.54Å; Y121-R133 WeakPolarHBondContact O-CA 3.32Å; N122-R133 WeakPolarHBondContact OD1-CD 3.31Å; N122-R133 WeakPolarHBondContact OD1-CG 3.36Å
134	V	96.1	Very high	94	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.6	173.2	-178.6	0	0	0	0	107.7	I77 I79 V87 L91 V120 Y121 L123 I132	I77-V134 CarbonylContact O-C 3.58Å; I77-V134 WeakPolarHBondContact O-CA 3.38Å; I79-V134 HydrophobicContact CD1-CG1 3.46Å; I79-V134 VanDerWaalsContact CD1-CG1 3.46Å; I79-V134 HydrophobicContact CG1-CG1 3.71Å; I79-V134 HydrophobicContact CG2-CG1 4.06Å; V87-V134 HydrophobicContact CG1-CG1 4.45Å; L91-V134 HydrophobicContact CD1-CG2 3.49Å; L91-V134 VanDerWaalsContact CD1-CG2 3.49Å; V120-V134 WeakPolarHBondContact CA-O 3.38Å; Y121-V134 PolarHBondContact N-O 3.17Å; Y121-V134 PolarHBondContact O-N 3.16Å; L123-V134 HydrophobicContact CD1-CG2 4.39Å; I132-V134 HydrophobicContact CG2-CG2 4.28Å
135	L	96.2	Very high	94	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.6	-174.4	-60.2	174.1	0	0	0	109.5	E76 I77 C78 I79 I119 V120	E76-L135 HydrophobicContact CB-CD1 4.07Å; E76-L135 HydrophobicContact CG-CD1 4.33Å; E76-L135 WeakPolarHBondContact OE2-CD1 3.32Å; I77-L135 PolarHBondContact O-N 3.29Å; C78-L135 WeakPolarHBondContact CA-O 3.44Å; I79-L135 WeakPolarHBondContact CG1-O 3.45Å; I79-L135 PolarHBondContact N-O 3.4Å; I119-L135 WeakPolarHBondContact O-CA 3.49Å; V120-L135 HydrophobicContact CB-CD2 3.93Å; V120-L135 HydrophobicContact CG1-CD2 3.68Å; V120-L135 HydrophobicContact CG2-CD2 3.49Å; V120-L135 VanDerWaalsContact CG2-CD2 3.49Å
136	T	95.9	Very high	94	Very high	1 Å²	1	63 Å²	63	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	168.7	173.1	61.6	0	0	0	0	108.9	I79 I84 Q118 I119 Y121	I79-T136 HydrophobicContact CD1-CG2 3.36Å; I79-T136 HydrophobicContact CG1-CG2 3.24Å; I84-T136 HydrophobicContact CD1-CG2 3.68Å; I84-T136 HydrophobicContact CG1-CG2 3.46Å; I84-T136 VanDerWaalsContact CG1-CG2 3.46Å; Q118-T136 CarbonylContact C-O 3.07Å; Q118-T136 WeakPolarHBondContact CA-O 3.34Å; Q118-T136 WeakPolarHBondContact CG-O 3.21Å; I119-T136 WeakPolarHBondContact CB-OG1 3.36Å; I119-T136 PolarHBondContact N-O 3.15Å; I119-T136 PolarHBondContact O-N 3.47Å; I119-T136 PolarHBondContact O-OG1 3.38Å; Y121-T136 HydrophobicContact CE2-CG2 4.21Å
137	Y	95.9	Very high	94.1	Very high	52 Å²	52	57.4 Å²	57.4	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.8	178.1	57.2	-94.9	0	0	0	110.2	Q65 H80 P81 Y115 F117	Q65-Y137 PolarHBondContact NE2-OH 3.31Å; H80-Y137 PolarHBondContact CD2-OH 3.41Å; P81-Y137 HydrophobicContact CG-CE2 4.18Å; Y115-Y137 AromaticContact CD1-CD2 3.94Å; Y115-Y137 HydrophobicContact CD1-CD2 3.94Å; Y115-Y137 HydrophobicContact CD1-CE2 4.39Å; Y115-Y137 AromaticContact CD2-CD2 3.51Å; Y115-Y137 HydrophobicContact CD2-CD2 3.51Å; Y115-Y137 AromaticContact CD2-CE2 3.75Å; Y115-Y137 HydrophobicContact CD2-CE2 3.75Å; Y115-Y137 HydrophobicContact CD2-CG 4.39Å; Y115-Y137 HydrophobicContact CE1-CD2 4.38Å; Y115-Y137 HydrophobicContact CE1-CE2 4.38Å; Y115-Y137 AromaticContact CE2-CD2 4Å; Y115-Y137 HydrophobicContact CE2-CD2 4Å; Y115-Y137 AromaticContact CE2-CE2 3.75Å; Y115-Y137 HydrophobicContact CE2-CE2 3.75Å; Y115-Y137 AromaticContact CG-CD2 3.48Å; Y115-Y137 HydrophobicContact CG-CD2 3.48Å; Y115-Y137 VanDerWaalsContact CG-CD2 3.48Å; Y115-Y137 HydrophobicContact CG-CE2 4.09Å; Y115-Y137 HydrophobicContact CG-CG 4.37Å; F117-Y137 CarbonylContact O-C 3.41Å; F117-Y137 VanDerWaalsContact O-CA 3.32Å; F117-Y137 WeakPolarHBondContact O-CA 3.49Å
138	T	95.6	Very high	94.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.1	175.5	-166.3	0	0	0	0	111.1	Y115 R116 F117 I119 T142 I144 V167	Y115-T138 CarbonylContact C-O 3.57Å; R116-T138 PolarHBondContact N-O 3.43Å; F117-T138 HydrophobicContact CB-CG2 3.67Å; F117-T138 HydrophobicContact CD2-CG2 4.24Å; F117-T138 HydrophobicContact CG-CG2 4.46Å; F117-T138 PolarHBondContact N-O 3.26Å; F117-T138 PolarHBondContact O-N 3.14Å; I119-T138 HydrophobicContact CD1-CG2 4.12Å; T138-T142 PolarHBondContact OG1-O 3.17Å; T138-T142 PolarHBondContact OG1-OG1 3.06Å; T138-I144 HydrophobicContact CG2-CD1 3.63Å; T138-V167 HydrophobicContact CG2-CG1 3.91Å; T138-V167 HydrophobicContact CG2-CG2 3.88Å
139	D	93.8	Very high	94.2	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.251	26%	0.26	S	S	.	.			trans	-94.9	-171.1	166.1	68	40.7	0	0	0	110.8	Y115 L141 T142	Y115-D139 HydrophobicContact CD1-CB 4.14Å; D139-L141 VanDerWaalsContact C-N 3.31Å; D139-L141 WeakPolarHBondContact OD1-CA 3.46Å; D139-L141 PolarHBondContact OD1-N 3.28Å; D139-T142 PolarHBondContact N-OG1 3.26Å; D139-T142 WeakPolarHBondContact OD1-CB 3.48Å; D139-T142 WeakPolarHBondContact OD1-CG2 3.18Å; D139-T142 PolarHBondContact OD1-N 3.03Å; D139-T142 PolarHBondContact OD1-OG1 3.29Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.5Å
140	E	91.4	Very high	94.3	Very high	80 Å²	80	43.8 Å²	43.8	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	-76.6	-17.7	-177	-48.1	-163.6	179.4	0	0	114	R116 F117 R190	R116-E140 VanDerWaalsContact CD-OE1 3.23Å; R116-E140 WeakPolarHBondContact CD-OE1 3.18Å; R116-E140 IonicContact CZ-OE1 2.73Å; R116-E140 IonicContact NE-OE1 3.61Å; R116-E140 IonicContact NH1-OE1 2.8Å; R116-E140 PolarHBondContact NH1-OE1 3.21Å; F117-E140 HydrophobicContact CE2-CB 4.2Å; F117-E140 HydrophobicContact CE2-CG 3.78Å; F117-E140 HydrophobicContact CZ-CG 4.31Å; E140-R190 IonicContact OE1-NH1 3.83Å; E140-R190 IonicContact OE2-CZ 3.36Å; E140-R190 IonicContact OE2-NH1 3.96Å; E140-R190 PolarHBondContact OE2-NH1 3.46Å; E140-R190 IonicContact OE2-NH2 3.81Å
141	L	92.1	Very high	94.5	Very high	158 Å²	158	42.8 Å²	42.8	83%	0.827	22%	0.221	S	C	*	.	S	Bend	trans	-114.5	-27.9	-170.8	-61.5	176.9	0	0	0	112.5	D139 P143	D139-L141 VanDerWaalsContact C-N 3.31Å; D139-L141 WeakPolarHBondContact OD1-CA 3.46Å; D139-L141 PolarHBondContact OD1-N 3.28Å; L141-P143 WeakPolarHBondContact O-CD 3.31Å
142	T	93.6	Very high	94.5	Very high	59 Å²	59	43.9 Å²	43.9	36%	0.362	23%	0.233	S	C	.	.			trans	-74.6	116.9	-177.2	52.2	0	0	0	0	109.5	T138 D139	T138-T142 PolarHBondContact OG1-O 3.17Å; T138-T142 PolarHBondContact OG1-OG1 3.06Å; D139-T142 PolarHBondContact N-OG1 3.26Å; D139-T142 WeakPolarHBondContact OD1-CB 3.48Å; D139-T142 WeakPolarHBondContact OD1-CG2 3.18Å; D139-T142 PolarHBondContact OD1-N 3.03Å; D139-T142 PolarHBondContact OD1-OG1 3.29Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.5Å
143	P	93.6	Very high	94.5	Very high	74 Å²	74	46 Å²	46	48%	0.481	25%	0.252	S	S	.	.			trans	-72.7	152	176.7	33.9	-37.1	0	0	0	110.3	L141 F168 H170	L141-P143 WeakPolarHBondContact O-CD 3.31Å; P143-F168 WeakPolarHBondContact CA-O 3.49Å; P143-F168 HydrophobicContact CB-CB 4.5Å; P143-F168 HydrophobicContact CB-CD1 3.69Å; P143-F168 HydrophobicContact CB-CE1 4.48Å; P143-H170 HydrophobicContact CB-CB 4.47Å
144	I	94.4	Very high	94.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.7	173.8	-80.1	159.5	0	0	0	109.8	P81 I84 I119 T138 S146 V167 F168 F169 H170	P81-I144 HydrophobicContact CB-CG1 4.47Å; I84-I144 HydrophobicContact CD1-CB 4.42Å; I84-I144 HydrophobicContact CD1-CG1 4.38Å; I84-I144 HydrophobicContact CD1-CG2 3.27Å; I119-I144 HydrophobicContact CD1-CD1 3.14Å; I119-I144 HydrophobicContact CG1-CD1 4.46Å; T138-I144 HydrophobicContact CG2-CD1 3.63Å; I144-S146 PolarHBondContact O-N 3.39Å; I144-V167 HydrophobicContact CD1-CG1 4.07Å; I144-F168 PolarHBondContact N-O 3.32Å; I144-F169 HydrophobicContact CB-CD1 4.3Å; I144-F169 HydrophobicContact CB-CE1 4.45Å; I144-F169 HydrophobicContact CG2-CD1 3.96Å; I144-F169 HydrophobicContact CG2-CE1 3.97Å; I144-F169 CarbonylContact O-C 3.46Å; I144-F169 WeakPolarHBondContact O-CA 3.32Å; I144-H170 PolarHBondContact O-N 3.39Å
145	D	95.2	Very high	94.4	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.6	175.1	-61.6	-25	0	0	0	112.2	I85 H170	I85-D145 HydrophobicContact CD1-CB 3.67Å; I85-D145 HydrophobicContact CG1-CB 4.09Å; D145-H170 IonicContact OD1-CD2 3.32Å
146	S	95.7	Very high	94.4	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.042	28%	0.283	C	S	.	.			trans	-63.9	136.1	176.2	175.9	0	0	0	0	111.5	I144 C148 E158 H170	I144-S146 PolarHBondContact O-N 3.39Å; S146-C148 VanDerWaalsContact C-N 3.31Å; S146-C148 WeakPolarHBondContact OG-CB 3.02Å; S146-C148 PolarHBondContact OG-N 3.29Å; S146-C148 VanDerWaalsContact OG-N 3.17Å; S146-C148 PolarHBondContact OG-SG 3.04Å; S146-E158 WeakPolarHBondContact CA-OE2 3.45Å; S146-E158 WeakPolarHBondContact CB-OE2 3.42Å; S146-E158 PolarHBondContact OG-OE2 2.69Å; S146-H170 WeakPolarHBondContact CB-O 3.17Å; S146-H170 PolarHBondContact N-O 3.31Å
147	S	94.7	Very high	94.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-88.1	3.6	174.6	69.4	0	0	0	0	113.2	S149 I150 F151 S154 E158	S147-S149 PolarHBondContact O-N 2.72Å; S147-I150 PolarHBondContact O-N 3.14Å; S147-F151 PolarHBondContact O-N 2.9Å; S147-S154 WeakPolarHBondContact OG-CB 3.35Å; S147-S154 PolarHBondContact OG-OG 3.41Å; S147-E158 WeakPolarHBondContact CA-OE1 3.42Å; S147-E158 WeakPolarHBondContact CB-OE1 3.48Å; S147-E158 PolarHBondContact N-OE1 2.64Å; S147-E158 PolarHBondContact OG-OE1 3.47Å
148	C	94.5	Very high	94.4	Very high	23 Å²	23	54.7 Å²	54.7	16%	0.155	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.7	-179.8	-74.7	0	0	0	0	113.8	S146 I150 F151 N155 H172	S146-C148 VanDerWaalsContact C-N 3.31Å; S146-C148 WeakPolarHBondContact OG-CB 3.02Å; S146-C148 PolarHBondContact OG-N 3.29Å; S146-C148 VanDerWaalsContact OG-N 3.17Å; S146-C148 PolarHBondContact OG-SG 3.04Å; C148-I150 PolarHBondContact O-N 2.89Å; C148-F151 WeakPolarHBondContact CA-O 3.29Å; C148-F151 CarbonylContact O-C 3.24Å; C148-N155 WeakPolarHBondContact SG-CA 3.31Å; C148-H172 PolarHBondContact SG-CD2 3.21Å
149	S	93.1	Very high	94.5	Very high	94 Å²	94	55.6 Å²	55.6	66%	0.657	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.1	176.5	60.6	0	0	0	0	112.9	S147	S147-S149 PolarHBondContact O-N 2.72Å
150	I	94.1	Very high	94.6	Very high	17 Å²	17	56.8 Å²	56.8	9%	0.087	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-50.5	-178.8	-57.6	168.6	0	0	0	109.7	I85 L88 K92 S147 C148	I85-I150 HydrophobicContact CB-CD1 4.33Å; I85-I150 HydrophobicContact CG2-CD1 4.05Å; I85-I150 VanDerWaalsContact O-CD1 3.28Å; I85-I150 WeakPolarHBondContact O-CD1 3.26Å; L88-I150 HydrophobicContact CB-CD1 3.61Å; L88-I150 HydrophobicContact CB-CG2 4.43Å; K92-I150 HydrophobicContact CB-CG2 4.27Å; K92-I150 HydrophobicContact CD-CG2 3.62Å; K92-I150 PolarHBondContact NZ-O 2.93Å; S147-I150 PolarHBondContact O-N 3.14Å; C148-I150 PolarHBondContact O-N 2.89Å
151	F	94.5	Very high	94.9	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.044	28%	0.277	C	S	.	.			trans	-120.9	114	-179.6	-62	-74.5	0	0	0	109.8	L88 K92 F99 L100 L102 L123 S147 C148 A153 S154	L88-F151 HydrophobicContact CB-CE2 4.26Å; L88-F151 HydrophobicContact CD2-CE2 4.37Å; K92-F151 HydrophobicContact CB-CE1 4.44Å; K92-F151 HydrophobicContact CB-CZ 4.04Å; K92-F151 HydrophobicContact CD-CD1 4.46Å; K92-F151 HydrophobicContact CD-CE1 3.98Å; K92-F151 HydrophobicContact CD-CZ 4.25Å; K92-F151 HydrophobicContact CG-CE1 4.18Å; K92-F151 HydrophobicContact CG-CZ 4.29Å; F99-F151 WeakPolarHBondContact O-CE1 3.37Å; F99-F151 WeakPolarHBondContact O-CZ 3.39Å; L100-F151 WeakPolarHBondContact O-CE1 3.03Å; L102-F151 HydrophobicContact CB-CB 4.12Å; L102-F151 HydrophobicContact CB-CD1 3.94Å; L102-F151 HydrophobicContact CB-CD2 4.35Å; L102-F151 HydrophobicContact CB-CE1 4.44Å; L102-F151 HydrophobicContact CB-CG 3.89Å; L102-F151 HydrophobicContact CD1-CB 4Å; L102-F151 HydrophobicContact CD1-CD2 3.74Å; L102-F151 HydrophobicContact CD1-CE2 4.4Å; L102-F151 HydrophobicContact CD1-CG 3.94Å; L123-F151 HydrophobicContact CD2-CE2 3.91Å; L123-F151 HydrophobicContact CD2-CZ 3.92Å; S147-F151 PolarHBondContact O-N 2.9Å; C148-F151 WeakPolarHBondContact CA-O 3.29Å; C148-F151 CarbonylContact O-C 3.24Å; F151-A153 PolarHBondContact O-N 2.89Å; F151-S154 WeakPolarHBondContact CB-OG 3.47Å; F151-S154 VanDerWaalsContact O-CB 3.31Å; F151-S154 WeakPolarHBondContact O-CB 3.45Å; F151-S154 PolarHBondContact O-N 2.77Å; F151-S154 PolarHBondContact O-OG 2.94Å
152	Q	93.4	Very high	95.1	Very high	180 Å²	180	48.5 Å²	48.5	84%	0.841	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.7	176.1	-172.7	175.8	-4.4	0	0	112.2	S154 N155	Q152-S154 PolarHBondContact O-N 2.98Å; Q152-N155 PolarHBondContact O-N 2.76Å
153	A	93.9	Very high	95.2	Very high	49 Å²	49	45.7 Å²	45.7	41%	0.405	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	175.3	0	0	0	0	0	113	L102 F151 N155 Y157	L102-A153 HydrophobicContact CD2-CB 4.19Å; F151-A153 PolarHBondContact O-N 2.89Å; A153-N155 PolarHBondContact O-N 2.71Å; A153-N155 VanDerWaalsContact O-N 3.14Å; A153-Y157 WeakPolarHBondContact O-CD2 3.04Å
154	S	94.9	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-22.3	-178.1	-59.3	0	0	0	0	114	L102 I105 S147 F151 Q152 W156 Y157 E158	L102-S154 WeakPolarHBondContact CD1-OG 3.35Å; I105-S154 WeakPolarHBondContact CD1-OG 3.31Å; S147-S154 WeakPolarHBondContact OG-CB 3.35Å; S147-S154 PolarHBondContact OG-OG 3.41Å; F151-S154 WeakPolarHBondContact CB-OG 3.47Å; F151-S154 VanDerWaalsContact O-CB 3.31Å; F151-S154 WeakPolarHBondContact O-CB 3.45Å; F151-S154 PolarHBondContact O-N 2.77Å; F151-S154 PolarHBondContact O-OG 2.94Å; Q152-S154 PolarHBondContact O-N 2.98Å; S154-W156 VanDerWaalsContact C-N 3.32Å; S154-W156 PolarHBondContact O-N 2.79Å; S154-Y157 PolarHBondContact O-N 3.39Å; S154-E158 WeakPolarHBondContact O-CB 2.91Å; S154-E158 WeakPolarHBondContact O-CG 3.45Å; S154-E158 PolarHBondContact O-N 3.42Å
155	N	95.5	Very high	95.4	Very high	42 Å²	42	44 Å²	44	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-54.7	-46.9	-175.6	-176.5	-28.4	0	0	0	112.2	C148 Q152 A153 R159 H172	C148-N155 WeakPolarHBondContact SG-CA 3.31Å; Q152-N155 PolarHBondContact O-N 2.76Å; A153-N155 PolarHBondContact O-N 2.71Å; A153-N155 VanDerWaalsContact O-N 3.14Å; N155-R159 VanDerWaalsContact O-CG 3.25Å; N155-R159 WeakPolarHBondContact O-CG 3.48Å; N155-R159 PolarHBondContact O-N 3.3Å; N155-H172 WeakPolarHBondContact CA-NE2 3.24Å; N155-H172 PolarHBondContact O-NE2 2.84Å; N155-H172 PolarHBondContact OD1-CE1 3.2Å; N155-H172 PolarHBondContact OD1-NE2 2.78Å
156	W	95.9	Very high	95.3	Very high	177 Å²	177	42 Å²	42	67%	0.67	21%	0.208	S	C	*	.	H	α-helix	trans	-73.8	-40.7	-178	-76.3	51.6	0	0	0	112	S154 R159 E160 I178	S154-W156 VanDerWaalsContact C-N 3.32Å; S154-W156 PolarHBondContact O-N 2.79Å; W156-R159 PolarHBondContact O-N 2.85Å; W156-E160 WeakPolarHBondContact O-CB 3.16Å; W156-E160 PolarHBondContact O-N 3.24Å; W156-I178 HydrophobicContact CD2-CD1 4.03Å; W156-I178 HydrophobicContact CE3-CD1 3.59Å; W156-I178 HydrophobicContact CZ3-CD1 3.96Å
157	Y	96.8	Very high	95.3	Very high	73 Å²	73	41.7 Å²	41.7	29%	0.286	21%	0.206	S	C	.	.	H	α-helix	trans	-69.6	-38	-179.5	-63.7	-75.4	0	0	0	112.9	L102 S103 D104 I105 A153 S154 R159 E160 V161	L102-Y157 HydrophobicContact CD2-CD2 3.8Å; L102-Y157 HydrophobicContact CD2-CE2 3.89Å; S103-Y157 PolarHBondContact O-OH 3.37Å; S103-Y157 VanDerWaalsContact O-OH 3.09Å; D104-Y157 HydrophobicContact CB-CE1 4.23Å; I105-Y157 HydrophobicContact CB-CG 4.35Å; A153-Y157 WeakPolarHBondContact O-CD2 3.04Å; S154-Y157 PolarHBondContact O-N 3.39Å; Y157-R159 VanDerWaalsContact C-N 3.3Å; Y157-R159 PolarHBondContact O-N 2.86Å; Y157-E160 WeakPolarHBondContact O-CB 3.4Å; Y157-E160 PolarHBondContact O-N 2.94Å; Y157-V161 WeakPolarHBondContact O-CB 3.25Å; Y157-V161 VanDerWaalsContact O-CG2 3.31Å; Y157-V161 WeakPolarHBondContact O-CG2 3.36Å; Y157-V161 PolarHBondContact O-N 2.98Å
158	E	96.3	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-36.7	176.7	-71.9	-179.7	-170.9	0	0	111	I105 S146 S147 S154 V161 W162 F169 H172	I105-E158 HydrophobicContact CD1-CG 4.1Å; S146-E158 WeakPolarHBondContact CA-OE2 3.45Å; S146-E158 WeakPolarHBondContact CB-OE2 3.42Å; S146-E158 PolarHBondContact OG-OE2 2.69Å; S147-E158 WeakPolarHBondContact CA-OE1 3.42Å; S147-E158 WeakPolarHBondContact CB-OE1 3.48Å; S147-E158 PolarHBondContact N-OE1 2.64Å; S147-E158 PolarHBondContact OG-OE1 3.47Å; S154-E158 WeakPolarHBondContact O-CB 2.91Å; S154-E158 WeakPolarHBondContact O-CG 3.45Å; S154-E158 PolarHBondContact O-N 3.42Å; E158-V161 PolarHBondContact O-N 3.49Å; E158-W162 WeakPolarHBondContact O-CB 3.34Å; E158-W162 PolarHBondContact O-N 3.37Å; E158-F169 HydrophobicContact CB-CD1 4.42Å; E158-F169 HydrophobicContact CB-CD2 3.71Å; E158-F169 HydrophobicContact CB-CE1 4.49Å; E158-F169 HydrophobicContact CB-CE2 3.8Å; E158-F169 HydrophobicContact CB-CG 4.04Å; E158-F169 HydrophobicContact CB-CZ 4.2Å; E158-F169 HydrophobicContact CG-CD1 4Å; E158-F169 HydrophobicContact CG-CD2 4.15Å; E158-F169 HydrophobicContact CG-CE1 3.88Å; E158-F169 HydrophobicContact CG-CE2 4.02Å; E158-F169 HydrophobicContact CG-CG 4.14Å; E158-F169 HydrophobicContact CG-CZ 3.88Å; E158-F169 WeakPolarHBondContact O-CE2 3.34Å; E158-H172 IonicContact OE2-CD2 3.59Å; E158-H172 PolarHBondContact OE2-CD2 3.4Å; E158-H172 VanDerWaalsContact OE2-CD2 3.31Å
159	R	96.6	Very high	95.4	Very high	21 Å²	21	45.7 Å²	45.7	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-42.7	170.5	-71.9	177	66.1	176.8	-11.1	112.8	N155 W156 Y157 W162 D163 D174 L175 R176 R177 I178	N155-R159 VanDerWaalsContact O-CG 3.25Å; N155-R159 WeakPolarHBondContact O-CG 3.48Å; N155-R159 PolarHBondContact O-N 3.3Å; W156-R159 PolarHBondContact O-N 2.85Å; Y157-R159 VanDerWaalsContact C-N 3.3Å; Y157-R159 PolarHBondContact O-N 2.86Å; R159-W162 PolarHBondContact O-N 3.11Å; R159-D163 WeakPolarHBondContact O-CB 3.41Å; R159-D163 PolarHBondContact O-N 3.14Å; R159-D174 WeakPolarHBondContact CD-O 3.49Å; R159-D174 WeakPolarHBondContact CG-O 3.48Å; R159-D174 IonicContact NH1-OD2 2.62Å; R159-D174 PolarHBondContact NH1-OD2 2.79Å; R159-L175 HydrophobicContact CG-CD1 4.31Å; R159-R176 PolarHBondContact NE-O 3.03Å; R159-R176 VanDerWaalsContact NE-O 3.11Å; R159-R177 PolarHBondContact NH2-O 3.16Å; R159-I178 HydrophobicContact CB-CG2 4.33Å
160	E	96.9	Very high	95.5	Very high	72 Å²	72	45.5 Å²	45.5	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-46.5	176.1	179.7	-179.7	-179.1	0	0	111.2	W156 Y157 W162 D163 M164 I178 L179	W156-E160 WeakPolarHBondContact O-CB 3.16Å; W156-E160 PolarHBondContact O-N 3.24Å; Y157-E160 WeakPolarHBondContact O-CB 3.4Å; Y157-E160 PolarHBondContact O-N 2.94Å; E160-W162 VanDerWaalsContact C-N 3.32Å; E160-W162 PolarHBondContact O-N 3.09Å; E160-D163 PolarHBondContact O-N 2.76Å; E160-M164 HydrophobicContact CG-CG 4.21Å; E160-M164 WeakPolarHBondContact O-CB 3.29Å; E160-M164 WeakPolarHBondContact O-CG 3.44Å; E160-M164 PolarHBondContact O-N 3.27Å; E160-I178 HydrophobicContact CB-CG2 4.39Å; E160-L179 HydrophobicContact CG-CD1 3.86Å
161	V	96.6	Very high	95.4	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-39.6	177.9	169.1	0	0	0	0	111.2	I105 A107 Y157 E158 Y165 G166 V167 F169	I105-V161 HydrophobicContact CG2-CG2 4.35Å; A107-V161 HydrophobicContact CB-CG1 3.78Å; A107-V161 HydrophobicContact CB-CG2 4.32Å; Y157-V161 WeakPolarHBondContact O-CB 3.25Å; Y157-V161 VanDerWaalsContact O-CG2 3.31Å; Y157-V161 WeakPolarHBondContact O-CG2 3.36Å; Y157-V161 PolarHBondContact O-N 2.98Å; E158-V161 PolarHBondContact O-N 3.49Å; V161-Y165 WeakPolarHBondContact O-CB 3.41Å; V161-Y165 PolarHBondContact O-N 3.43Å; V161-G166 PolarHBondContact O-N 3.19Å; V161-V167 HydrophobicContact CG1-CB 3.95Å; V161-V167 HydrophobicContact CG1-CG2 4.23Å; V161-F169 HydrophobicContact CB-CE2 3.97Å; V161-F169 HydrophobicContact CB-CZ 4.3Å; V161-F169 HydrophobicContact CG1-CE2 3.8Å; V161-F169 HydrophobicContact CG1-CZ 3.95Å
162	W	96.1	Very high	95.4	Very high	61 Å²	61	51.4 Å²	51.4	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-41.9	173.7	175.7	81	0	0	0	112.2	E158 R159 E160 G166 V167 L175 R177 H187	E158-W162 WeakPolarHBondContact O-CB 3.34Å; E158-W162 PolarHBondContact O-N 3.37Å; R159-W162 PolarHBondContact O-N 3.11Å; E160-W162 VanDerWaalsContact C-N 3.32Å; E160-W162 PolarHBondContact O-N 3.09Å; W162-G166 WeakPolarHBondContact O-CA 3.25Å; W162-G166 PolarHBondContact O-N 3.35Å; W162-V167 WeakPolarHBondContact CA-O 3.14Å; W162-V167 WeakPolarHBondContact CB-O 3.4Å; W162-L175 HydrophobicContact CB-CD1 3.85Å; W162-L175 HydrophobicContact CB-CD2 4.32Å; W162-L175 HydrophobicContact CB-CG 4.17Å; W162-L175 HydrophobicContact CD2-CD2 4.32Å; W162-L175 HydrophobicContact CD2-CG 4.09Å; W162-L175 HydrophobicContact CG-CD1 4.1Å; W162-L175 HydrophobicContact CG-CD2 3.81Å; W162-L175 HydrophobicContact CG-CG 3.85Å; W162-R177 HydrophobicContact CE3-CG 4.41Å; W162-R177 HydrophobicContact CH2-CG 3.76Å; W162-R177 HydrophobicContact CZ3-CB 4.1Å; W162-R177 HydrophobicContact CZ3-CG 3.32Å; W162-H187 PolarHBondContact O-CE1 2.83Å; W162-H187 PolarHBondContact O-ND1 3.36Å
163	D	96.5	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.4	-43.2	179.7	-161.9	9.1	0	0	0	111.9	R159 E160 R177 I178 L179 T180 H187	R159-D163 WeakPolarHBondContact O-CB 3.41Å; R159-D163 PolarHBondContact O-N 3.14Å; E160-D163 PolarHBondContact O-N 2.76Å; D163-R177 WeakPolarHBondContact OD1-CG 3.23Å; D163-R177 IonicContact OD1-NE 3.83Å; D163-R177 PolarHBondContact OD1-NE 2.87Å; D163-I178 PolarHBondContact OD2-N 3.31Å; D163-L179 PolarHBondContact OD2-N 3.11Å; D163-T180 WeakPolarHBondContact OD1-CB 3.44Å; D163-T180 VanDerWaalsContact OD1-CG2 3.24Å; D163-T180 WeakPolarHBondContact OD1-CG2 2.94Å; D163-T180 PolarHBondContact OD1-OG1 2.82Å; D163-T180 PolarHBondContact OD2-N 3.12Å; D163-T180 PolarHBondContact OD2-OG1 3.15Å; D163-H187 PolarHBondContact O-ND1 2.85Å
164	M	96.3	Very high	95.5	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.054	23%	0.225	C	C	.	.	H	α-helix	trans	-82.5	-37.1	-174	-67.7	-58.7	96.8	0	0	114.6	E160 L179 T180 H187 P188 Q189	E160-M164 HydrophobicContact CG-CG 4.21Å; E160-M164 WeakPolarHBondContact O-CB 3.29Å; E160-M164 WeakPolarHBondContact O-CG 3.44Å; E160-M164 PolarHBondContact O-N 3.27Å; M164-L179 HydrophobicContact CE-CB 3.82Å; M164-L179 HydrophobicContact CE-CD1 4.18Å; M164-L179 HydrophobicContact CG-CD1 4.17Å; M164-L179 HydrophobicContact SD-CD1 4.08Å; M164-T180 HydrophobicContact CE-CG2 3.49Å; M164-T180 VanDerWaalsContact CE-CG2 3.49Å; M164-H187 CarbonylContact O-C 3.45Å; M164-H187 VanDerWaalsContact O-C 3.3Å; M164-H187 WeakPolarHBondContact O-CB 2.97Å; M164-P188 HydrophobicContact CE-CG 3.97Å; M164-P188 HydrophobicContact SD-CB 4.36Å; M164-P188 HydrophobicContact SD-CG 4.29Å; M164-Q189 HydrophobicContact CB-CB 4.06Å; M164-Q189 HydrophobicContact CB-CG 3.87Å; M164-Q189 HydrophobicContact CG-CG 4.14Å; M164-Q189 PolarHBondContact O-N 3Å; M164-Q189 HydrophobicContact SD-CG 3.91Å
165	Y	95.7	Very high	95.5	Very high	31 Å²	31	49.6 Å²	49.6	12%	0.122	24%	0.235	C	C	.	.	H	α-helix	trans	-115.9	-22.2	-175.7	-65.9	-86.4	0	0	0	113.5	A107 D109 F117 V161 Q189 R190	A107-Y165 HydrophobicContact CB-CD1 4.3Å; A107-Y165 HydrophobicContact CB-CD2 3.56Å; A107-Y165 HydrophobicContact CB-CE2 3.79Å; A107-Y165 HydrophobicContact CB-CG 3.83Å; A107-Y165 WeakPolarHBondContact O-CE2 3.46Å; A107-Y165 PolarHBondContact O-OH 2.84Å; D109-Y165 HydrophobicContact CB-CD1 4.02Å; D109-Y165 HydrophobicContact CB-CE1 3.87Å; F117-Y165 AromaticContact CD1-CD1 4Å; F117-Y165 HydrophobicContact CD1-CD1 4Å; F117-Y165 AromaticContact CE1-CD1 3.98Å; F117-Y165 HydrophobicContact CE1-CD1 3.98Å; F117-Y165 VanDerWaalsContact CZ-O 3.29Å; F117-Y165 WeakPolarHBondContact CZ-O 3.29Å; V161-Y165 WeakPolarHBondContact O-CB 3.41Å; V161-Y165 PolarHBondContact O-N 3.43Å; Y165-Q189 HydrophobicContact CD1-CB 4.36Å; Y165-Q189 HydrophobicContact CD2-CB 4.49Å; Y165-Q189 HydrophobicContact CE1-CB 3.84Å; Y165-Q189 HydrophobicContact CE2-CB 4Å; Y165-Q189 PolarHBondContact OH-OE1 3.16Å; Y165-R190 PolarHBondContact O-NE 3.18Å; Y165-R190 PolarHBondContact O-NH2 2.93Å
166	G	94.4	Very high	95.5	Very high	10 Å²	10	54.2 Å²	54.2	10%	0.103	25%	0.249	C	C	.	.			trans	79.9	19.9	-176.3	0	0	0	0	0	114.4	V161 W162 H187	V161-G166 PolarHBondContact O-N 3.19Å; W162-G166 WeakPolarHBondContact O-CA 3.25Å; W162-G166 PolarHBondContact O-N 3.35Å; G166-H187 WeakPolarHBondContact CA-CE1 3.3Å; G166-H187 VanDerWaalsContact CA-NE2 3.29Å; G166-H187 WeakPolarHBondContact CA-NE2 3.34Å; G166-H187 PolarHBondContact N-ND1 2.93Å
167	V	95.3	Very high	95.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.228	C	C	.	.			trans	-73.9	128.2	172.3	174.3	0	0	0	0	109.4	F117 I119 T138 I144 V161 W162 F169	F117-V167 HydrophobicContact CB-CG2 3.93Å; F117-V167 HydrophobicContact CD2-CG2 3.66Å; F117-V167 HydrophobicContact CE2-CG2 4.31Å; F117-V167 HydrophobicContact CG-CG2 3.8Å; I119-V167 HydrophobicContact CD1-CG1 3.81Å; T138-V167 HydrophobicContact CG2-CG1 3.91Å; T138-V167 HydrophobicContact CG2-CG2 3.88Å; I144-V167 HydrophobicContact CD1-CG1 4.07Å; V161-V167 HydrophobicContact CG1-CB 3.95Å; V161-V167 HydrophobicContact CG1-CG2 4.23Å; W162-V167 WeakPolarHBondContact CA-O 3.14Å; W162-V167 WeakPolarHBondContact CB-O 3.4Å; V167-F169 HydrophobicContact CG1-CE2 4.22Å; V167-F169 HydrophobicContact CG1-CZ 4.23Å
168	F	95.1	Very high	95.4	Very high	105 Å²	105	47.7 Å²	47.7	46%	0.461	23%	0.227	S	C	.	.			trans	-89.7	131.3	179.2	-168	-90.9	0	0	0	111.9	P143 I144 L175	P143-F168 WeakPolarHBondContact CA-O 3.49Å; P143-F168 HydrophobicContact CB-CB 4.5Å; P143-F168 HydrophobicContact CB-CD1 3.69Å; P143-F168 HydrophobicContact CB-CE1 4.48Å; I144-F168 PolarHBondContact N-O 3.32Å; F168-L175 HydrophobicContact CD2-CD2 3.87Å; F168-L175 HydrophobicContact CE2-CD2 3.91Å; F168-L175 HydrophobicContact CG-CD2 4.46Å
169	F	95.9	Very high	95.4	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.6	174.5	-67	-84.2	0	0	0	111.2	I119 I144 E158 V161 V167 H172 L175	I119-F169 HydrophobicContact CD1-CE1 4.44Å; I119-F169 HydrophobicContact CD1-CZ 4.28Å; I144-F169 HydrophobicContact CB-CD1 4.3Å; I144-F169 HydrophobicContact CB-CE1 4.45Å; I144-F169 HydrophobicContact CG2-CD1 3.96Å; I144-F169 HydrophobicContact CG2-CE1 3.97Å; I144-F169 CarbonylContact O-C 3.46Å; I144-F169 WeakPolarHBondContact O-CA 3.32Å; E158-F169 HydrophobicContact CB-CD1 4.42Å; E158-F169 HydrophobicContact CB-CD2 3.71Å; E158-F169 HydrophobicContact CB-CE1 4.49Å; E158-F169 HydrophobicContact CB-CE2 3.8Å; E158-F169 HydrophobicContact CB-CG 4.04Å; E158-F169 HydrophobicContact CB-CZ 4.2Å; E158-F169 HydrophobicContact CG-CD1 4Å; E158-F169 HydrophobicContact CG-CD2 4.15Å; E158-F169 HydrophobicContact CG-CE1 3.88Å; E158-F169 HydrophobicContact CG-CE2 4.02Å; E158-F169 HydrophobicContact CG-CG 4.14Å; E158-F169 HydrophobicContact CG-CZ 3.88Å; E158-F169 WeakPolarHBondContact O-CE2 3.34Å; V161-F169 HydrophobicContact CB-CE2 3.97Å; V161-F169 HydrophobicContact CB-CZ 4.3Å; V161-F169 HydrophobicContact CG1-CE2 3.8Å; V161-F169 HydrophobicContact CG1-CZ 3.95Å; V167-F169 HydrophobicContact CG1-CE2 4.22Å; V167-F169 HydrophobicContact CG1-CZ 4.23Å; F169-H172 HydrophobicContact CB-CB 4.26Å; F169-L175 HydrophobicContact CD2-CD1 4.35Å
170	H	94.4	Very high	95.3	Very high	89 Å²	89	53 Å²	53	41%	0.412	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.8	172.7	-168.9	57.6	0	0	0	110.8	P143 I144 D145 S146 H172	P143-H170 HydrophobicContact CB-CB 4.47Å; I144-H170 PolarHBondContact O-N 3.39Å; D145-H170 IonicContact OD1-CD2 3.32Å; S146-H170 WeakPolarHBondContact CB-O 3.17Å; S146-H170 PolarHBondContact N-O 3.31Å; H170-H172 PolarHBondContact O-N 2.96Å
171	D	92.9	Very high	95.2	Very high	129 Å²	129	52.6 Å²	52.6	69%	0.69	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	20.3	-178.4	-64.8	-25.1	0	0	0	116.5
172	H	94.6	Very high	95.2	Very high	23 Å²	23	63.1 Å²	63.1	11%	0.106	30%	0.299	C	S	.	.			trans	-75.4	135.5	173.2	-170.6	-87.6	0	0	0	111.6	C148 N155 E158 F169 H170 D174 L175	C148-H172 PolarHBondContact SG-CD2 3.21Å; N155-H172 WeakPolarHBondContact CA-NE2 3.24Å; N155-H172 PolarHBondContact O-NE2 2.84Å; N155-H172 PolarHBondContact OD1-CE1 3.2Å; N155-H172 PolarHBondContact OD1-NE2 2.78Å; E158-H172 IonicContact OE2-CD2 3.59Å; E158-H172 PolarHBondContact OE2-CD2 3.4Å; E158-H172 VanDerWaalsContact OE2-CD2 3.31Å; F169-H172 HydrophobicContact CB-CB 4.26Å; H170-H172 PolarHBondContact O-N 2.96Å; H172-D174 VanDerWaalsContact CE1-C 3.46Å; H172-D174 PolarHBondContact CE1-O 3.14Å; H172-D174 PolarHBondContact ND1-N 3.23Å; H172-D174 VanDerWaalsContact ND1-N 3.17Å; H172-D174 PolarHBondContact ND1-O 3.4Å; H172-D174 PolarHBondContact O-N 3.15Å; H172-L175 HydrophobicContact CB-CB 4.23Å; H172-L175 HydrophobicContact CB-CD1 4.35Å; H172-L175 PolarHBondContact ND1-N 2.87Å; H172-L175 VanDerWaalsContact ND1-N 3.16Å
173	P	95	Very high	95	Very high	92 Å²	92	62.8 Å²	62.8	60%	0.597	31%	0.314	S	S	*	.	S	Bend	trans	-67.8	-35.4	-174.6	24.9	-35.3	0	0	0	115
174	D	94.6	Very high	94.8	Very high	59 Å²	59	65 Å²	65	32%	0.316	32%	0.324	S	S	.	.	S	Bend	trans	-149.7	77.1	-178.4	177.4	23	0	0	0	110.3	R159 H172 R176	R159-D174 WeakPolarHBondContact CD-O 3.49Å; R159-D174 WeakPolarHBondContact CG-O 3.48Å; R159-D174 IonicContact NH1-OD2 2.62Å; R159-D174 PolarHBondContact NH1-OD2 2.79Å; H172-D174 VanDerWaalsContact CE1-C 3.46Å; H172-D174 PolarHBondContact CE1-O 3.14Å; H172-D174 PolarHBondContact ND1-N 3.23Å; H172-D174 VanDerWaalsContact ND1-N 3.17Å; H172-D174 PolarHBondContact ND1-O 3.4Å; H172-D174 PolarHBondContact O-N 3.15Å; D174-R176 VanDerWaalsContact CG-NE 3.33Å; D174-R176 PolarHBondContact O-N 3.12Å; D174-R176 WeakPolarHBondContact OD1-CD 3.44Å; D174-R176 IonicContact OD1-NE 2.64Å; D174-R176 PolarHBondContact OD1-NE 2.79Å; D174-R176 VanDerWaalsContact OD1-NE 3.14Å; D174-R176 IonicContact OD2-CZ 3.01Å; D174-R176 IonicContact OD2-NE 2.72Å; D174-R176 PolarHBondContact OD2-NE 2.93Å; D174-R176 IonicContact OD2-NH2 3.29Å; D174-R176 PolarHBondContact OD2-NH2 2.62Å
175	L	94.4	Very high	94.7	Very high	39 Å²	39	71.4 Å²	71.4	20%	0.204	36%	0.357	C	S	.	.			trans	-85.9	102.2	179.1	-162.3	73.8	0	0	0	110	R159 W162 F168 F169 H172	R159-L175 HydrophobicContact CG-CD1 4.31Å; W162-L175 HydrophobicContact CB-CD1 3.85Å; W162-L175 HydrophobicContact CB-CD2 4.32Å; W162-L175 HydrophobicContact CB-CG 4.17Å; W162-L175 HydrophobicContact CD2-CD2 4.32Å; W162-L175 HydrophobicContact CD2-CG 4.09Å; W162-L175 HydrophobicContact CG-CD1 4.1Å; W162-L175 HydrophobicContact CG-CD2 3.81Å; W162-L175 HydrophobicContact CG-CG 3.85Å; F168-L175 HydrophobicContact CD2-CD2 3.87Å; F168-L175 HydrophobicContact CE2-CD2 3.91Å; F168-L175 HydrophobicContact CG-CD2 4.46Å; F169-L175 HydrophobicContact CD2-CD1 4.35Å; H172-L175 HydrophobicContact CB-CB 4.23Å; H172-L175 HydrophobicContact CB-CD1 4.35Å; H172-L175 PolarHBondContact ND1-N 2.87Å; H172-L175 VanDerWaalsContact ND1-N 3.16Å
176	R	94.7	Very high	94.5	Very high	139 Å²	139	71.3 Å²	71.3	53%	0.525	37%	0.365	S	S	.	.			trans	-151.9	172.2	176.8	67.7	178.6	160.4	151	-3.9	110.5	R159 D174	R159-R176 PolarHBondContact NE-O 3.03Å; R159-R176 VanDerWaalsContact NE-O 3.11Å; D174-R176 VanDerWaalsContact CG-NE 3.33Å; D174-R176 PolarHBondContact O-N 3.12Å; D174-R176 WeakPolarHBondContact OD1-CD 3.44Å; D174-R176 IonicContact OD1-NE 2.64Å; D174-R176 PolarHBondContact OD1-NE 2.79Å; D174-R176 VanDerWaalsContact OD1-NE 3.14Å; D174-R176 IonicContact OD2-CZ 3.01Å; D174-R176 IonicContact OD2-NE 2.72Å; D174-R176 PolarHBondContact OD2-NE 2.93Å; D174-R176 IonicContact OD2-NH2 3.29Å; D174-R176 PolarHBondContact OD2-NH2 2.62Å
177	R	94.7	Very high	94.6	Very high	59 Å²	59	72.8 Å²	72.8	22%	0.223	37%	0.369	C	S	.	.			trans	-63.9	155	-176.2	-67.6	-174.3	141.5	163.7	-1.4	111.2	R159 W162 D163 T180 D181 F184 G186	R159-R177 PolarHBondContact NH2-O 3.16Å; W162-R177 HydrophobicContact CE3-CG 4.41Å; W162-R177 HydrophobicContact CH2-CG 3.76Å; W162-R177 HydrophobicContact CZ3-CB 4.1Å; W162-R177 HydrophobicContact CZ3-CG 3.32Å; D163-R177 WeakPolarHBondContact OD1-CG 3.23Å; D163-R177 IonicContact OD1-NE 3.83Å; D163-R177 PolarHBondContact OD1-NE 2.87Å; R177-T180 WeakPolarHBondContact CD-OG1 3.36Å; R177-T180 PolarHBondContact NE-OG1 3.37Å; R177-D181 PolarHBondContact NH1-O 3.2Å; R177-F184 VanDerWaalsContact NH1-C 3.32Å; R177-F184 PolarHBondContact NH1-O 2.92Å; R177-F184 PolarHBondContact NH2-O 2.84Å; R177-G186 PolarHBondContact NH2-O 3.03Å
178	I	95.8	Very high	94.6	Very high	54 Å²	54	74.8 Å²	74.8	28%	0.277	38%	0.382	S	S	.	.	S	Bend	trans	-142.9	-37.5	-178	-170.3	165.3	0	0	0	113.2	W156 R159 E160 D163	W156-I178 HydrophobicContact CD2-CD1 4.03Å; W156-I178 HydrophobicContact CE3-CD1 3.59Å; W156-I178 HydrophobicContact CZ3-CD1 3.96Å; R159-I178 HydrophobicContact CB-CG2 4.33Å; E160-I178 HydrophobicContact CB-CG2 4.39Å; D163-I178 PolarHBondContact OD2-N 3.31Å
179	L	96.5	Very high	94.6	Very high	107 Å²	107	73.7 Å²	73.7	56%	0.56	38%	0.379	S	S	*	.	S	Bend	trans	-101.8	-34.6	-179.4	-60.9	-176.2	0	0	0	112.5	E160 D163 M164	E160-L179 HydrophobicContact CG-CD1 3.86Å; D163-L179 PolarHBondContact OD2-N 3.11Å; M164-L179 HydrophobicContact CE-CB 3.82Å; M164-L179 HydrophobicContact CE-CD1 4.18Å; M164-L179 HydrophobicContact CG-CD1 4.17Å; M164-L179 HydrophobicContact SD-CD1 4.08Å
180	T	95	Very high	94.6	Very high	25 Å²	25	75.4 Å²	75.4	15%	0.153	39%	0.385	C	S	.	.	S	Bend	trans	-82	161	-178.5	62.7	0	0	0	0	112.5	D163 M164 R177 F184 P188	D163-T180 WeakPolarHBondContact OD1-CB 3.44Å; D163-T180 VanDerWaalsContact OD1-CG2 3.24Å; D163-T180 WeakPolarHBondContact OD1-CG2 2.94Å; D163-T180 PolarHBondContact OD1-OG1 2.82Å; D163-T180 PolarHBondContact OD2-N 3.12Å; D163-T180 PolarHBondContact OD2-OG1 3.15Å; M164-T180 HydrophobicContact CE-CG2 3.49Å; M164-T180 VanDerWaalsContact CE-CG2 3.49Å; R177-T180 WeakPolarHBondContact CD-OG1 3.36Å; R177-T180 PolarHBondContact NE-OG1 3.37Å; T180-F184 HydrophobicContact CG2-CD1 3.77Å; T180-F184 HydrophobicContact CG2-CE1 4.11Å; T180-F184 HydrophobicContact CG2-CG 4.32Å; T180-P188 HydrophobicContact CG2-CG 3.78Å
181	D	95.7	Very high	94.5	Very high	65 Å²	65	80 Å²	80	35%	0.348	40%	0.399	S	S	.	.			trans	-62.6	153.9	173.5	-172.6	25.2	0	0	0	111.6	R177 G183 F184 M201	R177-D181 PolarHBondContact NH1-O 3.2Å; D181-G183 VanDerWaalsContact C-N 3.25Å; D181-G183 PolarHBondContact O-N 2.94Å; D181-F184 HydrophobicContact CB-CB 4.4Å; D181-F184 VanDerWaalsContact O-CB 3.29Å; D181-F184 WeakPolarHBondContact O-CB 3.36Å; D181-F184 PolarHBondContact O-N 3.37Å; D181-F184 VanDerWaalsContact O-N 3.09Å; D181-M201 HydrophobicContact CB-CE 4.44Å; D181-M201 WeakPolarHBondContact OD2-CE 3.49Å
182	Y	95	Very high	94.6	Very high	224 Å²	224	78.5 Å²	78.5	88%	0.878	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.8	-173.6	-63.8	-75.7	0	0	0	112.8
183	G	92.2	Very high	94.6	Very high	54 Å²	54	79.1 Å²	79.1	56%	0.557	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	9.1	-178.7	0	0	0	0	0	115.3	D181	D181-G183 VanDerWaalsContact C-N 3.25Å; D181-G183 PolarHBondContact O-N 2.94Å
184	F	93.6	Very high	94.6	Very high	47 Å²	47	76.9 Å²	76.9	21%	0.206	38%	0.379	C	S	.	.			trans	-59.6	150.4	-174.2	-170.9	-103.8	0	0	0	112	R177 T180 D181 G186 P188 F193	R177-F184 VanDerWaalsContact NH1-C 3.32Å; R177-F184 PolarHBondContact NH1-O 2.92Å; R177-F184 PolarHBondContact NH2-O 2.84Å; T180-F184 HydrophobicContact CG2-CD1 3.77Å; T180-F184 HydrophobicContact CG2-CE1 4.11Å; T180-F184 HydrophobicContact CG2-CG 4.32Å; D181-F184 HydrophobicContact CB-CB 4.4Å; D181-F184 VanDerWaalsContact O-CB 3.29Å; D181-F184 WeakPolarHBondContact O-CB 3.36Å; D181-F184 PolarHBondContact O-N 3.37Å; D181-F184 VanDerWaalsContact O-N 3.09Å; F184-G186 WeakPolarHBondContact CD1-O 3.46Å; F184-P188 HydrophobicContact CE1-CG 3.62Å; F184-P188 HydrophobicContact CZ-CG 3.92Å; F184-F193 HydrophobicContact CE1-CE2 4.39Å; F184-F193 HydrophobicContact CE1-CZ 4.22Å; F184-F193 HydrophobicContact CE2-CZ 4.36Å; F184-F193 HydrophobicContact CZ-CE1 4.22Å; F184-F193 HydrophobicContact CZ-CE2 4.06Å; F184-F193 AromaticContact CZ-CZ 3.49Å; F184-F193 HydrophobicContact CZ-CZ 3.49Å; F184-F193 VanDerWaalsContact CZ-CZ 3.49Å
185	I	92.3	Very high	94.5	Very high	146 Å²	146	80.7 Å²	80.7	75%	0.749	40%	0.398	S	S	*	.			trans	-125.2	122.9	176.7	-58.6	175.9	0	0	0	108
186	G	93	Very high	94.4	Very high	28 Å²	28	81.6 Å²	81.6	29%	0.289	41%	0.408	S	S	.	.	S	Bend	trans	107.3	-178.8	-176.1	0	0	0	0	0	114.2	R177 F184	R177-G186 PolarHBondContact NH2-O 3.03Å; F184-G186 WeakPolarHBondContact CD1-O 3.46Å
187	H	95.7	Very high	94.4	Very high	42 Å²	42	75.7 Å²	75.7	19%	0.194	39%	0.39	C	S	.	.			trans	-127.1	105.3	-174.2	-70.4	-60.1	0	0	0	109	W162 D163 M164 G166 Q189 R190	W162-H187 PolarHBondContact O-CE1 2.83Å; W162-H187 PolarHBondContact O-ND1 3.36Å; D163-H187 PolarHBondContact O-ND1 2.85Å; M164-H187 CarbonylContact O-C 3.45Å; M164-H187 VanDerWaalsContact O-C 3.3Å; M164-H187 WeakPolarHBondContact O-CB 2.97Å; G166-H187 WeakPolarHBondContact CA-CE1 3.3Å; G166-H187 VanDerWaalsContact CA-NE2 3.29Å; G166-H187 WeakPolarHBondContact CA-NE2 3.34Å; G166-H187 PolarHBondContact N-ND1 2.93Å; H187-Q189 VanDerWaalsContact C-N 3.33Å; H187-Q189 PolarHBondContact O-N 3.28Å; H187-R190 HydrophobicContact CB-CG 3.82Å; H187-R190 PolarHBondContact O-N 2.61Å
188	P	95.4	Very high	94.3	Very high	42 Å²	42	79.5 Å²	79.5	27%	0.273	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.4	-165.1	-27.2	34	0	0	0	116.5	M164 T180 F184 F193	M164-P188 HydrophobicContact CE-CG 3.97Å; M164-P188 HydrophobicContact SD-CB 4.36Å; M164-P188 HydrophobicContact SD-CG 4.29Å; T180-P188 HydrophobicContact CG2-CG 3.78Å; F184-P188 HydrophobicContact CE1-CG 3.62Å; F184-P188 HydrophobicContact CZ-CG 3.92Å; P188-F193 HydrophobicContact CB-CD1 4.44Å
189	Q	95.9	Very high	94.3	Very high	82 Å²	82	80.3 Å²	80.3	38%	0.383	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.1	-173.9	-64.6	-174	3.3	0	0	113.4	M164 Y165 H187	M164-Q189 HydrophobicContact CB-CB 4.06Å; M164-Q189 HydrophobicContact CB-CG 3.87Å; M164-Q189 HydrophobicContact CG-CG 4.14Å; M164-Q189 PolarHBondContact O-N 3Å; M164-Q189 HydrophobicContact SD-CG 3.91Å; Y165-Q189 HydrophobicContact CD1-CB 4.36Å; Y165-Q189 HydrophobicContact CD2-CB 4.49Å; Y165-Q189 HydrophobicContact CE1-CB 3.84Å; Y165-Q189 HydrophobicContact CE2-CB 4Å; Y165-Q189 PolarHBondContact OH-OE1 3.16Å; H187-Q189 VanDerWaalsContact C-N 3.33Å; H187-Q189 PolarHBondContact O-N 3.28Å
190	R	94.8	Very high	94.2	Very high	38 Å²	38	78.2 Å²	78.2	14%	0.143	40%	0.4	C	S	.	.	S	Bend	trans	-70.2	140.7	168.3	-57.7	-174	173.3	-160	-6.7	110	D109 F117 E140 Y165 H187 D192 F193	D109-R190 VanDerWaalsContact OD2-CA 3.3Å; D109-R190 WeakPolarHBondContact OD2-CA 3.46Å; F117-R190 HydrophobicContact CE1-CG 4.31Å; F117-R190 HydrophobicContact CZ-CG 4.31Å; E140-R190 IonicContact OE1-NH1 3.83Å; E140-R190 IonicContact OE2-CZ 3.36Å; E140-R190 IonicContact OE2-NH1 3.96Å; E140-R190 PolarHBondContact OE2-NH1 3.46Å; E140-R190 IonicContact OE2-NH2 3.81Å; Y165-R190 PolarHBondContact O-NE 3.18Å; Y165-R190 PolarHBondContact O-NH2 2.93Å; H187-R190 HydrophobicContact CB-CG 3.82Å; H187-R190 PolarHBondContact O-N 2.61Å; R190-D192 WeakPolarHBondContact CB-OD1 3.39Å; R190-D192 PolarHBondContact O-N 2.98Å; R190-F193 WeakPolarHBondContact O-CB 3.5Å; R190-F193 PolarHBondContact O-N 2.93Å
191	R	93.3	Very high	94.2	Very high	185 Å²	185	82.3 Å²	82.3	70%	0.698	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.2	-174.2	-65	-63	-171.9	177.1	-1.2	114.3	D109 P111	D109-R191 HydrophobicContact CB-CG 4.12Å; D109-R191 PolarHBondContact OD2-N 2.83Å; P111-R191 HydrophobicContact CG-CB 4.35Å
192	D	94.3	Very high	94.1	Very high	99 Å²	99	83.6 Å²	83.6	53%	0.529	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.2	174.1	53.4	-31.8	0	0	0	113.3	R116 R190	R116-D192 IonicContact CZ-OD1 2.98Å; R116-D192 IonicContact NH1-OD1 3.14Å; R116-D192 IonicContact NH1-OD2 2.76Å; R116-D192 IonicContact NH2-OD1 3.6Å; R116-D192 PolarHBondContact NH2-OD1 2.74Å; R116-D192 IonicContact NH2-OD2 3.67Å; R190-D192 WeakPolarHBondContact CB-OD1 3.39Å; R190-D192 PolarHBondContact O-N 2.98Å
193	F	94.6	Very high	94.2	Very high	35 Å²	35	79.3 Å²	79.3	15%	0.154	40%	0.402	C	S	.	.	S	Bend	trans	-77.3	130.2	180	-165.9	-92.8	0	0	0	111.3	F184 P188 R190 Y198	F184-F193 HydrophobicContact CE1-CE2 4.39Å; F184-F193 HydrophobicContact CE1-CZ 4.22Å; F184-F193 HydrophobicContact CE2-CZ 4.36Å; F184-F193 HydrophobicContact CZ-CE1 4.22Å; F184-F193 HydrophobicContact CZ-CE2 4.06Å; F184-F193 AromaticContact CZ-CZ 3.49Å; F184-F193 HydrophobicContact CZ-CZ 3.49Å; F184-F193 VanDerWaalsContact CZ-CZ 3.49Å; P188-F193 HydrophobicContact CB-CD1 4.44Å; R190-F193 WeakPolarHBondContact O-CB 3.5Å; R190-F193 PolarHBondContact O-N 2.93Å; F193-Y198 AromaticContact CD2-CE2 3.86Å; F193-Y198 HydrophobicContact CD2-CE2 3.86Å; F193-Y198 AromaticContact CE2-CD2 3.76Å; F193-Y198 HydrophobicContact CE2-CD2 3.76Å; F193-Y198 AromaticContact CE2-CE2 3.48Å; F193-Y198 HydrophobicContact CE2-CE2 3.48Å; F193-Y198 VanDerWaalsContact CE2-CE2 3.48Å; F193-Y198 HydrophobicContact CZ-CD2 4.17Å; F193-Y198 HydrophobicContact CZ-CE2 4.23Å
194	P	95.2	Very high	94.4	Very high	46 Å²	46	77.5 Å²	77.5	30%	0.299	38%	0.38	S	S	.	.			trans	-70.8	143.3	179.4	29.1	-34.4	0	0	0	111.2	S196 G197 Y198	P194-S196 PolarHBondContact O-N 3.32Å; P194-G197 PolarHBondContact O-N 3.38Å; P194-Y198 WeakPolarHBondContact CD-OH 3.37Å; P194-Y198 HydrophobicContact CG-CD1 4.2Å; P194-Y198 HydrophobicContact CG-CE1 3.74Å; P194-Y198 HydrophobicContact CG-CE2 4.22Å
195	L	93.4	Very high	94.5	Very high	138 Å²	138	80.2 Å²	80.2	72%	0.723	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-38.6	-178.2	179.7	61.8	0	0	0	113.2	G197 F221	L195-G197 VanDerWaalsContact C-N 3.29Å; L195-G197 PolarHBondContact O-N 3.2Å; L195-F221 HydrophobicContact CD2-CD2 3.98Å; L195-F221 HydrophobicContact CD2-CE1 4.39Å; L195-F221 HydrophobicContact CD2-CE2 3.8Å; L195-F221 HydrophobicContact CD2-CG 4.35Å; L195-F221 HydrophobicContact CD2-CZ 4.02Å
196	S	92.6	Very high	94.7	Very high	59 Å²	59	80.8 Å²	80.8	41%	0.413	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.1	-179.2	-52.7	0	0	0	0	113.6	P194 L217	P194-S196 PolarHBondContact O-N 3.32Å; S196-L217 WeakPolarHBondContact OG-CD1 3.46Å
197	G	93.3	Very high	94.8	Very high	14 Å²	14	86 Å²	86	14%	0.144	41%	0.408	C	S	.	.			trans	71	-172.4	-166.1	0	0	0	0	0	113	P194 L195	P194-G197 PolarHBondContact O-N 3.38Å; L195-G197 VanDerWaalsContact C-N 3.29Å; L195-G197 PolarHBondContact O-N 3.2Å
198	Y	93.8	Very high	94.8	Very high	140 Å²	140	92.1 Å²	92.1	55%	0.549	43%	0.431	S	S	.	.	S	Bend	trans	-102.5	-21.9	-177.9	-61.2	-70.6	0	0	0	113.4	F193 P194 P214 V215	F193-Y198 AromaticContact CD2-CE2 3.86Å; F193-Y198 HydrophobicContact CD2-CE2 3.86Å; F193-Y198 AromaticContact CE2-CD2 3.76Å; F193-Y198 HydrophobicContact CE2-CD2 3.76Å; F193-Y198 AromaticContact CE2-CE2 3.48Å; F193-Y198 HydrophobicContact CE2-CE2 3.48Å; F193-Y198 VanDerWaalsContact CE2-CE2 3.48Å; F193-Y198 HydrophobicContact CZ-CD2 4.17Å; F193-Y198 HydrophobicContact CZ-CE2 4.23Å; P194-Y198 WeakPolarHBondContact CD-OH 3.37Å; P194-Y198 HydrophobicContact CG-CD1 4.2Å; P194-Y198 HydrophobicContact CG-CE1 3.74Å; P194-Y198 HydrophobicContact CG-CE2 4.22Å; Y198-P214 WeakPolarHBondContact O-CA 3.29Å; Y198-V215 PolarHBondContact O-N 3.04Å; Y198-V215 VanDerWaalsContact O-N 3.13Å
199	T	94.5	Very high	94.8	Very high	70 Å²	70	97.4 Å²	97.4	43%	0.429	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.4	-172.7	57.9	0	0	0	0	112.4	I212 E213	T199-I212 VanDerWaalsContact CB-CG2 3.49Å; T199-I212 HydrophobicContact CG2-CG2 3.74Å; T199-E213 CarbonylContact C-O 3.53Å; T199-E213 WeakPolarHBondContact CA-O 3.4Å
200	E	94.8	Very high	94.8	Very high	63 Å²	63	97.8 Å²	97.8	29%	0.294	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	164.2	168.7	63.2	-177.1	-139.5	0	0	111	I212 E213 V215 E216	E200-I212 WeakPolarHBondContact O-CA 3.2Å; E200-E213 PolarHBondContact N-O 3.5Å; E200-E213 PolarHBondContact O-N 3.09Å; E200-V215 HydrophobicContact CB-CG2 4.12Å; E200-E216 PolarHBondContact OE2-N 3.37Å
201	M	94.1	Very high	94.8	Very high	112 Å²	112	97.2 Å²	97.2	55%	0.552	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.9	179.8	-63	-175.4	-164.9	0	0	109.8	D181 V210 V211 I212	D181-M201 HydrophobicContact CB-CE 4.44Å; D181-M201 WeakPolarHBondContact OD2-CE 3.49Å; M201-V210 HydrophobicContact CB-CG1 3.81Å; M201-V210 HydrophobicContact CG-CG1 4.37Å; M201-V210 HydrophobicContact SD-CG1 4.44Å; M201-V211 WeakPolarHBondContact CA-O 3.39Å; M201-I212 HydrophobicContact CG-CG1 4.36Å
202	R	94.9	Very high	94.9	Very high	92 Å²	92	93 Å²	93	35%	0.347	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.2	171.8	68.6	172.6	-172.4	75.7	9.3	111.1	D204 V210 V211 E213	R202-D204 IonicContact CZ-OD2 3.01Å; R202-D204 IonicContact NH1-OD1 3.41Å; R202-D204 IonicContact NH1-OD2 3.9Å; R202-D204 PolarHBondContact NH1-OD2 2.8Å; R202-D204 IonicContact NH2-OD2 3.3Å; R202-D204 PolarHBondContact NH2-OD2 2.78Å; R202-V210 WeakPolarHBondContact O-CA 3.44Å; R202-V211 PolarHBondContact N-O 2.59Å; R202-V211 VanDerWaalsContact N-O 3.09Å; R202-V211 PolarHBondContact O-N 2.81Å; R202-E213 WeakPolarHBondContact CD-OE2 3.44Å; R202-E213 IonicContact CZ-OE1 2.66Å; R202-E213 VanDerWaalsContact CZ-OE1 3.27Å; R202-E213 IonicContact CZ-OE2 3.69Å; R202-E213 IonicContact NE-OE1 3.61Å; R202-E213 PolarHBondContact NE-OE1 3.17Å; R202-E213 IonicContact NE-OE2 3.27Å; R202-E213 PolarHBondContact NE-OE2 3.03Å; R202-E213 IonicContact NH2-OE1 3.17Å; R202-E213 PolarHBondContact NH2-OE1 3.29Å; R202-E213 IonicContact NH2-OE2 2.69Å
203	Y	96.9	Very high	94.8	Very high	133 Å²	133	91.1 Å²	91.1	52%	0.522	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.6	169.4	-178.1	-99	0	0	0	109.4	D205 Y208	Y203-D205 HydrophobicContact CE1-CB 4.15Å; Y203-Y208 WeakPolarHBondContact OH-CD1 3.46Å
204	D	96.5	Very high	94.8	Very high	17 Å²	17	94.2 Å²	94.2	9%	0.091	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.7	174.2	-161.3	-25.7	0	0	0	109.9	R202 Q206 Y207 Y208 R209 V211	R202-D204 IonicContact CZ-OD2 3.01Å; R202-D204 IonicContact NH1-OD1 3.41Å; R202-D204 IonicContact NH1-OD2 3.9Å; R202-D204 PolarHBondContact NH1-OD2 2.8Å; R202-D204 IonicContact NH2-OD2 3.3Å; R202-D204 PolarHBondContact NH2-OD2 2.78Å; D204-Q206 PolarHBondContact O-N 2.73Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.42Å; D204-Q206 PolarHBondContact OD1-N 3.01Å; D204-Q206 VanDerWaalsContact OD1-N 3.08Å; D204-Y207 HydrophobicContact CB-CD2 4.15Å; D204-Y207 PolarHBondContact O-N 3.3Å; D204-Y208 PolarHBondContact O-N 3.18Å; D204-R209 PolarHBondContact N-O 3.01Å; D204-R209 PolarHBondContact O-N 3.28Å; D204-V211 HydrophobicContact CB-CG2 3.61Å
205	D	96.4	Very high	94.8	Very high	104 Å²	104	94 Å²	94	56%	0.556	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.5	-178.2	-159.1	39.7	0	0	0	112.2	Y203 Y207 Y208	Y203-D205 HydrophobicContact CE1-CB 4.15Å; D205-Y207 VanDerWaalsContact C-N 3.35Å; D205-Y208 WeakPolarHBondContact O-CE1 3.16Å
206	Q	96.5	Very high	94.8	Very high	157 Å²	157	95.2 Å²	95.2	73%	0.734	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-36.6	176.5	-62.5	-174.9	-1.9	0	0	112.3	D204	D204-Q206 PolarHBondContact O-N 2.73Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.42Å; D204-Q206 PolarHBondContact OD1-N 3.01Å; D204-Q206 VanDerWaalsContact OD1-N 3.08Å
207	Y	94.5	Very high	94.8	Very high	137 Å²	137	96.6 Å²	96.6	54%	0.537	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-5.9	-177.6	-62.3	-70.6	0	0	0	113.2	D204 D205 R209 V211	D204-Y207 HydrophobicContact CB-CD2 4.15Å; D204-Y207 PolarHBondContact O-N 3.3Å; D205-Y207 VanDerWaalsContact C-N 3.35Å; Y207-R209 PolarHBondContact O-N 3.22Å; Y207-V211 HydrophobicContact CD2-CG2 4.43Å
208	Y	94.7	Very high	94.9	Very high	172 Å²	172	101.7 Å²	101.7	68%	0.675	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	40	-173.1	-59.8	-75.6	0	0	0	113.2	Y203 D204 D205	Y203-Y208 WeakPolarHBondContact OH-CD1 3.46Å; D204-Y208 PolarHBondContact O-N 3.18Å; D205-Y208 WeakPolarHBondContact O-CE1 3.16Å
209	R	95.7	Very high	94.9	Very high	153 Å²	153	101.3 Å²	101.3	58%	0.577	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	164	-179.4	71.5	-174.9	178.6	175.7	-0.6	111.9	D204 Y207 V211	D204-R209 PolarHBondContact N-O 3.01Å; D204-R209 PolarHBondContact O-N 3.28Å; Y207-R209 PolarHBondContact O-N 3.22Å; R209-V211 HydrophobicContact CG-CG2 4.25Å
210	V	95.6	Very high	94.9	Very high	89 Å²	89	105.8 Å²	105.8	54%	0.539	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.5	169.2	-178.2	0	0	0	0	108.8	M201 R202	M201-V210 HydrophobicContact CB-CG1 3.81Å; M201-V210 HydrophobicContact CG-CG1 4.37Å; M201-V210 HydrophobicContact SD-CG1 4.44Å; R202-V210 WeakPolarHBondContact O-CA 3.44Å
211	V	94.7	Very high	94.8	Very high	27 Å²	27	109.2 Å²	109.2	16%	0.164	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.1	178	-175.9	0	0	0	0	108.8	M201 R202 D204 Y207 R209 E213	M201-V211 WeakPolarHBondContact CA-O 3.39Å; R202-V211 PolarHBondContact N-O 2.59Å; R202-V211 VanDerWaalsContact N-O 3.09Å; R202-V211 PolarHBondContact O-N 2.81Å; D204-V211 HydrophobicContact CB-CG2 3.61Å; Y207-V211 HydrophobicContact CD2-CG2 4.43Å; R209-V211 HydrophobicContact CG-CG2 4.25Å; V211-E213 HydrophobicContact CG1-CG 3.99Å
212	I	95.5	Very high	94.8	Very high	96 Å²	96	111.6 Å²	111.6	49%	0.492	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.8	175.1	-57.2	174.6	0	0	0	107.4	T199 E200 M201	T199-I212 VanDerWaalsContact CB-CG2 3.49Å; T199-I212 HydrophobicContact CG2-CG2 3.74Å; E200-I212 WeakPolarHBondContact O-CA 3.2Å; M201-I212 HydrophobicContact CG-CG1 4.36Å
213	E	93.7	Very high	94.7	Very high	60 Å²	60	116.2 Å²	116.2	28%	0.28	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	160.6	-178.8	-67.7	-171.2	164.2	0	0	110.8	T199 E200 R202 V211	T199-E213 CarbonylContact C-O 3.53Å; T199-E213 WeakPolarHBondContact CA-O 3.4Å; E200-E213 PolarHBondContact N-O 3.5Å; E200-E213 PolarHBondContact O-N 3.09Å; R202-E213 WeakPolarHBondContact CD-OE2 3.44Å; R202-E213 IonicContact CZ-OE1 2.66Å; R202-E213 VanDerWaalsContact CZ-OE1 3.27Å; R202-E213 IonicContact CZ-OE2 3.69Å; R202-E213 IonicContact NE-OE1 3.61Å; R202-E213 PolarHBondContact NE-OE1 3.17Å; R202-E213 IonicContact NE-OE2 3.27Å; R202-E213 PolarHBondContact NE-OE2 3.03Å; R202-E213 IonicContact NH2-OE1 3.17Å; R202-E213 PolarHBondContact NH2-OE1 3.29Å; R202-E213 IonicContact NH2-OE2 2.69Å; V211-E213 HydrophobicContact CG1-CG 3.99Å
214	P	94.9	Very high	94.5	Very high	99 Å²	99	115.9 Å²	115.9	64%	0.643	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-57.1	143.1	170.2	-21.9	34.1	0	0	0	111.4	Y198 E216	Y198-P214 WeakPolarHBondContact O-CA 3.29Å; P214-E216 PolarHBondContact O-N 3.3Å
215	V	93.5	Very high	94.4	Very high	41 Å²	41	121.7 Å²	121.7	25%	0.248	58%	0.58	C	S	.	*			trans	-64.2	128.8	-178.1	172	0	0	0	0	111.6	Y198 E200 L217	Y198-V215 PolarHBondContact O-N 3.04Å; Y198-V215 VanDerWaalsContact O-N 3.13Å; E200-V215 HydrophobicContact CB-CG2 4.12Å; V215-L217 HydrophobicContact CG1-CD1 4.45Å; V215-L217 HydrophobicContact CG1-CD2 3.86Å; V215-L217 HydrophobicContact CG1-CG 3.68Å
216	E	93.4	Very high	94.2	Very high	164 Å²	164	125.1 Å²	125.1	77%	0.766	59%	0.59	S	S	*	*			trans	-126.3	93.4	171.2	-69.4	-169.7	173.9	0	0	109.9	E200 P214	E200-E216 PolarHBondContact OE2-N 3.37Å; P214-E216 PolarHBondContact O-N 3.3Å
217	L	93.6	Very high	94	Very high	89 Å²	89	124.9 Å²	124.9	47%	0.466	59%	0.594	S	S	.	*			trans	-80.6	124.4	179.5	-62.7	179.3	0	0	0	111.5	S196 V215 Q219	S196-L217 WeakPolarHBondContact OG-CD1 3.46Å; V215-L217 HydrophobicContact CG1-CD1 4.45Å; V215-L217 HydrophobicContact CG1-CD2 3.86Å; V215-L217 HydrophobicContact CG1-CG 3.68Å; L217-Q219 PolarHBondContact O-N 3.13Å
218	A	94.8	Very high	94	Very high	120 Å²	120	122 Å²	122	99%	0.992	59%	0.594	S	S	*	*	S	Bend	trans	-60.6	-27.8	171.1	0	0	0	0	0	113.1
219	Q	95	Very high	93.9	Very high	132 Å²	132	119.6 Å²	119.6	62%	0.617	60%	0.599	S	S	*	*	S	Bend	trans	-132.5	121.1	172.3	-178.6	176.4	9	0	0	109.6	L217	L217-Q219 PolarHBondContact O-N 3.13Å
220	E	93.4	Very high	93.7	Very high	164 Å²	164	122.5 Å²	122.5	77%	0.766	61%	0.61	S	S	*	*			trans	-66.1	150.1	176.4	-64.4	-178.3	174.6	0	0	112.3	R222	E220-R222 PolarHBondContact O-N 2.72Å; E220-R222 VanDerWaalsContact O-N 3.13Å
221	F	92.6	Very high	93.4	Very high	136 Å²	136	122.9 Å²	122.9	60%	0.596	61%	0.606	S	S	*	*			trans	-67.5	111	172.7	179.5	-100.1	0	0	0	110.4	L195 R223	L195-F221 HydrophobicContact CD2-CD2 3.98Å; L195-F221 HydrophobicContact CD2-CE1 4.39Å; L195-F221 HydrophobicContact CD2-CE2 3.8Å; L195-F221 HydrophobicContact CD2-CG 4.35Å; L195-F221 HydrophobicContact CD2-CZ 4.02Å; F221-R223 HydrophobicContact CE1-CB 4.41Å; F221-R223 PolarHBondContact O-N 3.46Å; F221-R223 VanDerWaalsContact O-N 3.14Å
222	R	94.1	Very high	93.3	Very high	162 Å²	162	125.1 Å²	125.1	61%	0.611	63%	0.627	S	S	*	*			trans	-75.7	102.5	177	-67.3	-179.6	-69.8	175.6	-0.9	110.1	E220 F224	E220-R222 PolarHBondContact O-N 2.72Å; E220-R222 VanDerWaalsContact O-N 3.13Å; R222-F224 HydrophobicContact CB-CE1 4.43Å; R222-F224 HydrophobicContact CB-CE2 4.36Å; R222-F224 HydrophobicContact CB-CZ 4.04Å; R222-F224 PolarHBondContact O-N 3.19Å
223	R	92.5	Very high	93.1	Very high	189 Å²	189	127.6 Å²	127.6	71%	0.713	64%	0.635	S	S	*	*			trans	-74.2	111.7	173.4	-177.3	177.8	122.9	169.3	-1.2	109.9	F221 E225	F221-R223 HydrophobicContact CE1-CB 4.41Å; F221-R223 PolarHBondContact O-N 3.46Å; F221-R223 VanDerWaalsContact O-N 3.14Å; R223-E225 IonicContact CZ-OE1 2.78Å; R223-E225 IonicContact NE-OE1 3.63Å; R223-E225 IonicContact NH2-OE1 3.82Å; R223-E225 PolarHBondContact NH2-OE1 2.99Å
224	F	94.1	Very high	92.9	Very high	125 Å²	125	129.4 Å²	129.4	55%	0.548	65%	0.652	S	S	.	*			trans	-92.3	130.3	171.6	-60.5	-63	0	0	0	110.4	R222 F226	R222-F224 HydrophobicContact CB-CE1 4.43Å; R222-F224 HydrophobicContact CB-CE2 4.36Å; R222-F224 HydrophobicContact CB-CZ 4.04Å; R222-F224 PolarHBondContact O-N 3.19Å; F224-F226 HydrophobicContact CB-CD1 4.38Å; F224-F226 HydrophobicContact CB-CD2 4.05Å; F224-F226 HydrophobicContact CB-CE1 3.8Å; F224-F226 HydrophobicContact CB-CE2 3.44Å; F224-F226 VanDerWaalsContact CB-CE2 3.44Å; F224-F226 HydrophobicContact CB-CG 4.49Å; F224-F226 HydrophobicContact CB-CZ 3.29Å; F224-F226 HydrophobicContact CD2-CE2 4.29Å; F224-F226 AromaticContact CD2-CZ 3.82Å; F224-F226 HydrophobicContact CD2-CZ 3.82Å; F224-F226 HydrophobicContact CG-CE1 4.36Å; F224-F226 HydrophobicContact CG-CE2 4.28Å; F224-F226 AromaticContact CG-CZ 3.79Å; F224-F226 HydrophobicContact CG-CZ 3.79Å; F224-F226 PolarHBondContact O-N 3.13Å
225	E	93.1	Very high	92.6	Very high	140 Å²	140	128.2 Å²	128.2	65%	0.654	65%	0.65	S	S	*	*			trans	-92	94.4	172.6	-62.4	-169.8	166.2	0	0	109	R223 N227	R223-E225 IonicContact CZ-OE1 2.78Å; R223-E225 IonicContact NE-OE1 3.63Å; R223-E225 IonicContact NH2-OE1 3.82Å; R223-E225 PolarHBondContact NH2-OE1 2.99Å; E225-N227 PolarHBondContact O-N 3.49Å
226	F	93.6	Very high	92.3	Very high	175 Å²	175	133.1 Å²	133.1	77%	0.768	67%	0.668	S	S	*	*			trans	-84.5	4.4	178.7	-60.4	-67.1	0	0	0	113.5	F224 S228	F224-F226 HydrophobicContact CB-CD1 4.38Å; F224-F226 HydrophobicContact CB-CD2 4.05Å; F224-F226 HydrophobicContact CB-CE1 3.8Å; F224-F226 HydrophobicContact CB-CE2 3.44Å; F224-F226 VanDerWaalsContact CB-CE2 3.44Å; F224-F226 HydrophobicContact CB-CG 4.49Å; F224-F226 HydrophobicContact CB-CZ 3.29Å; F224-F226 HydrophobicContact CD2-CE2 4.29Å; F224-F226 AromaticContact CD2-CZ 3.82Å; F224-F226 HydrophobicContact CD2-CZ 3.82Å; F224-F226 HydrophobicContact CG-CE1 4.36Å; F224-F226 HydrophobicContact CG-CE2 4.28Å; F224-F226 AromaticContact CG-CZ 3.79Å; F224-F226 HydrophobicContact CG-CZ 3.79Å; F224-F226 PolarHBondContact O-N 3.13Å; F226-S228 PolarHBondContact O-N 2.81Å
227	N	92.1	Very high	91.9	Very high	152 Å²	152	131.4 Å²	131.4	81%	0.813	66%	0.655	S	S	*	*			trans	-69	122.8	-176.5	-68.5	-16.7	0	0	0	110.1	E225	E225-N227 PolarHBondContact O-N 3.49Å
228	S	92.7	Very high	91.3	Very high	77 Å²	77	132.7 Å²	132.7	54%	0.538	66%	0.662	S	S	.	*			trans	-69.5	137.9	169.9	163.1	0	0	0	0	109.8	F226 W230	F226-S228 PolarHBondContact O-N 2.81Å; S228-W230 PolarHBondContact O-N 2.95Å; S228-W230 PolarHBondContact OG-N 3.44Å; S228-W230 PolarHBondContact OG-O 3.14Å; S228-W230 VanDerWaalsContact OG-O 3.13Å
229	P	92.9	Very high	90.4	Very high	122 Å²	122	131.3 Å²	131.3	79%	0.792	65%	0.646	S	S	*	*	S	Bend	trans	-70.1	-17.6	171.9	30.1	-34.8	0	0	0	112.5
230	W	91.7	Very high	88.8	Confident	213 Å²	213	128.9 Å²	128.9	81%	0.807	64%	0.643	S	S	*	*	S	Bend	trans	-88.3	132.2	178	-54	100.1	0	0	0	111.2	S228 A232	S228-W230 PolarHBondContact O-N 2.95Å; S228-W230 PolarHBondContact OG-N 3.44Å; S228-W230 PolarHBondContact OG-O 3.14Å; S228-W230 VanDerWaalsContact OG-O 3.13Å; W230-A232 PolarHBondContact O-N 3.32Å
231	E	89.6	Confident	86.9	Confident	98 Å²	98	124.1 Å²	124.1	46%	0.458	63%	0.628	S	S	.	*			trans	-64.5	117.3	172.3	-174.6	-177.8	179	0	0	110.2	R237	E231-R237 WeakPolarHBondContact OE1-CB 3.5Å; E231-R237 IonicContact OE2-NE 3.78Å; E231-R237 IonicContact OE2-NH1 2.84Å
232	A	91.8	Very high	84.7	Confident	73 Å²	73	122.5 Å²	122.5	60%	0.603	62%	0.622	S	S	*	*	S	Bend	trans	-82.2	-29.2	-178	0	0	0	0	0	113.6	W230	W230-A232 PolarHBondContact O-N 3.32Å
233	F	91.4	Very high	82.3	Confident	148 Å²	148	119.4 Å²	119.4	65%	0.649	62%	0.618	S	S	*	*			trans	-130.6	86.9	-170.7	-55.5	-69.4	0	0	0	112.9	A235 F236	F233-A235 PolarHBondContact O-N 2.69Å; F233-F236 HydrophobicContact CB-CD2 3.92Å; F233-F236 PolarHBondContact O-N 2.66Å
234	P	90.6	Very high	79.9	Confident	99 Å²	99	117.7 Å²	117.7	64%	0.643	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-58.6	-23.6	-178.3	-25.6	34.3	0	0	0	115	F236 R237	P234-F236 PolarHBondContact O-N 3.42Å; P234-R237 WeakPolarHBondContact O-CB 3.46Å; P234-R237 PolarHBondContact O-N 3.05Å
235	A	88.9	Confident	77.3	Confident	73 Å²	73	118.4 Å²	118.4	60%	0.603	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-66.8	-23.5	-178.3	0	0	0	0	0	113.9	F233	F233-A235 PolarHBondContact O-N 2.69Å
236	F	85.7	Confident	74.9	Confident	144 Å²	144	117.8 Å²	117.8	63%	0.632	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-103.8	13.6	-178	-62.8	-76.5	0	0	0	113	F233 P234 D238	F233-F236 HydrophobicContact CB-CD2 3.92Å; F233-F236 PolarHBondContact O-N 2.66Å; P234-F236 PolarHBondContact O-N 3.42Å; F236-D238 PolarHBondContact O-N 3.17Å
237	R	85.8	Confident	72.5	Confident	129 Å²	129	116.6 Å²	116.6	49%	0.487	63%	0.629	S	S	.	*			trans	-63.9	124.8	178.5	-167.3	169.8	179.4	165.6	0.8	111.1	E231 P234 S239	E231-R237 WeakPolarHBondContact OE1-CB 3.5Å; E231-R237 IonicContact OE2-NE 3.78Å; E231-R237 IonicContact OE2-NH1 2.84Å; P234-R237 WeakPolarHBondContact O-CB 3.46Å; P234-R237 PolarHBondContact O-N 3.05Å; R237-S239 PolarHBondContact O-N 2.86Å
238	D	80.9	Confident	69.9	Low	116 Å²	116	118 Å²	118	62%	0.62	63%	0.63	S	S	*	*			trans	-69	123.6	175.4	-72.2	-31.3	0	0	0	110.2	F236 S240 S241	F236-D238 PolarHBondContact O-N 3.17Å; D238-S240 PolarHBondContact O-N 3.09Å; D238-S241 PolarHBondContact O-N 2.98Å; D238-S241 PolarHBondContact O-OG 3.25Å
239	S	75.6	Confident	67.2	Low	91 Å²	91	118.9 Å²	118.9	64%	0.636	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-27.5	179.1	53.4	0	0	0	0	112.6	R237 S241 Q242	R237-S239 PolarHBondContact O-N 2.86Å; S239-S241 PolarHBondContact O-N 3.43Å; S239-Q242 PolarHBondContact O-N 2.97Å; S239-Q242 VanDerWaalsContact O-N 3.16Å
240	S	62.5	Low	64.5	Low	81 Å²	81	118.8 Å²	118.8	57%	0.566	64%	0.636	S	S	*	*	H	α-helix	trans	-62.9	-22.8	179.8	49.3	0	0	0	0	113.7	D238 Q242	D238-S240 PolarHBondContact O-N 3.09Å; S240-Q242 VanDerWaalsContact C-N 3.28Å; S240-Q242 PolarHBondContact O-N 3.34Å
241	S	52.1	Low	61.7	Low	63 Å²	63	116.1 Å²	116.1	44%	0.441	64%	0.637	S	S	.	*	H	α-helix	trans	-74.8	-15.7	178.7	63.6	0	0	0	0	113.9	D238 S239	D238-S241 PolarHBondContact O-N 2.98Å; D238-S241 PolarHBondContact O-OG 3.25Å; S239-S241 PolarHBondContact O-N 3.43Å
242	Q	47.4	Very low	59	Low	102 Å²	102	121.5 Å²	121.5	48%	0.477	66%	0.66	S	S	.	*	H	α-helix	trans	-86.8	-22.4	-179.4	-66	-176.5	-8	0	0	113	S239 S240	S239-Q242 PolarHBondContact O-N 2.97Å; S239-Q242 VanDerWaalsContact O-N 3.16Å; S240-Q242 VanDerWaalsContact C-N 3.28Å; S240-Q242 PolarHBondContact O-N 3.34Å
243	D	42.8	Very low	56.3	Low	98 Å²	98	125.7 Å²	125.7	52%	0.524	67%	0.667	S	S	.	*	H	α-helix	trans	-86.7	-27.6	-172.4	-66.5	-28.5	0	0	0	113.5	N245 L246	D243-N245 PolarHBondContact O-N 3.36Å; D243-L246 PolarHBondContact O-N 3.13Å; D243-L246 VanDerWaalsContact O-N 3.15Å
244	E	41.8	Very low	53.2	Low	152 Å²	152	123.3 Å²	123.3	71%	0.71	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-28.2	178.5	-71.7	-85.6	145.9	0	0	112.5
245	N	41.2	Very low	50.5	Low	141 Å²	141	127.9 Å²	127.9	75%	0.754	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-2.6	178.4	-69.9	-25.5	0	0	0	114.1	D243	D243-N245 PolarHBondContact O-N 3.36Å
246	L	42.9	Very low	47.8	Very low	127 Å²	127	129.7 Å²	129.7	67%	0.665	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-7.4	-179.9	-73.3	171	0	0	0	113.6	D243	D243-L246 PolarHBondContact O-N 3.13Å; D243-L246 VanDerWaalsContact O-N 3.15Å
247	L	42.4	Very low	45.4	Very low	149 Å²	149	126.5 Å²	126.5	78%	0.78	70%	0.697	S	S	*	*	S	Bend	trans	-90.6	1.2	179.4	-68.8	170.7	0	0	0	114.3
248	E	38.5	Very low	42.9	Very low	181 Å²	181	128 Å²	128	85%	0.846	72%	0.715	S	S	*	*			trans	-109	64.5	170	-69.8	-175	165.9	0	0	110.8
249	S	35.6	Very low	41	Very low	96 Å²	96	128 Å²	128	67%	0.671	72%	0.724	S	S	*	*			trans	-115.7	115.7	155.5	51.1	0	0	0	0	108.7
250	P	36.6	Very low	39.6	Very low	121 Å²	121	132.4 Å²	132.4	79%	0.786	73%	0.732	S	S	*	*			trans	-66.7	138	-177.3	25.3	-31.7	0	0	0	110.5	F252	P250-F252 PolarHBondContact O-N 3.23Å; P250-F252 VanDerWaalsContact O-N 3.12Å
251	N	31.2	Very low	38.5	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	74%	0.743	S	S	*	*			trans	-22.2	108.9	164.7	-61.5	-38.9	0	0	0	112.8	E253	N251-E253 PolarHBondContact O-N 3.01Å; N251-E253 VanDerWaalsContact O-N 3.11Å
252	F	33.3	Very low	38.2	Very low	211 Å²	211	141.4 Å²	141.4	93%	0.925	77%	0.765	S	S	*	*			trans	-77.1	99.1	163.3	-140.6	-86.7	0	0	0	107.4	P250	P250-F252 PolarHBondContact O-N 3.23Å; P250-F252 VanDerWaalsContact O-N 3.12Å
253	E	34.9	Very low	37.8	Very low	162 Å²	162	144 Å²	144	76%	0.757	78%	0.781	S	S	*	*			trans	-56.9	139.9	170.3	-71.3	179.2	152.5	0	0	111.1	N251	N251-E253 PolarHBondContact O-N 3.01Å; N251-E253 VanDerWaalsContact O-N 3.11Å
254	S	27.6	Very low	37.8	Very low	97 Å²	97	146.7 Å²	146.7	68%	0.678	80%	0.796	S	S	*	*			trans	-14.6	120.1	164.6	53.1	0	0	0	0	118.5
255	H	32.8	Very low	37.8	Very low	195 Å²	195	144.6 Å²	144.6	90%	0.903	80%	0.798	S	S	*	*			trans	-134.8	82.9	135.7	-84.8	-55.5	0	0	0	109.9	G257	H255-G257 PolarHBondContact O-N 3.3Å; H255-G257 VanDerWaalsContact O-N 3.17Å
256	S	32.3	Very low	37.8	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	82%	0.821	S	S	*	*			trans	-72.4	93.6	161.2	53.1	0	0	0	0	109	D258	S256-D258 PolarHBondContact O-N 3.08Å
257	G	34.9	Very low	37.6	Very low	78 Å²	78	152.7 Å²	152.7	80%	0.804	83%	0.829	S	S	*	*			trans	-93.1	71.2	168.2	0	0	0	0	0	110.8	H255	H255-G257 PolarHBondContact O-N 3.3Å; H255-G257 VanDerWaalsContact O-N 3.17Å
258	D	34.5	Very low	37.3	Very low	160 Å²	160	152.8 Å²	152.8	86%	0.856	83%	0.831	S	S	*	*			trans	-82.7	109.9	173.5	-123.4	-15.4	0	0	0	109.4	S256	S256-D258 PolarHBondContact O-N 3.08Å
259	S	40.3	Very low	37.3	Very low	116 Å²	116	151.3 Å²	151.3	81%	0.811	83%	0.83	S	S	*	*			trans	-149.9	82.2	157.6	55.5	0	0	0	0	112.3
260	K	46.4	Very low	37.3	Very low	184 Å²	184	154.5 Å²	154.5	80%	0.8	84%	0.84	S	S	*	*			trans	20.4	127.8	150	-65.9	179.2	177.6	176.8	0	119.4
261	P	38.6	Very low	37.4	Very low	123 Å²	123	156.6 Å²	156.6	80%	0.799	84%	0.843	S	S	*	*			trans	-78.6	130.6	158.3	33	-28	0	0	0	109.9
262	K	46.4	Very low	37.8	Very low	210 Å²	210	156.7 Å²	156.7	91%	0.913	84%	0.844	S	S	*	*			trans	-89.1	108.3	167.2	-76.7	-176.6	177.7	178	0	109.2
263	L	39.7	Very low	38.1	Very low	156 Å²	156	152.8 Å²	152.8	82%	0.817	84%	0.838	S	S	*	*			trans	-82.7	134.1	151.5	-96.5	112.9	0	0	0	108.5
264	N	41.8	Very low	38.4	Very low	155 Å²	155	152.1 Å²	152.1	83%	0.829	84%	0.844	S	S	*	*			trans	-174.7	118.2	135.2	-93.4	-10.1	0	0	0	112
265	S	41.8	Very low	39.3	Very low	107 Å²	107	156.7 Å²	156.7	75%	0.748	86%	0.858	S	S	*	*			trans	18.7	111.2	141.9	51.1	0	0	0	0	120.6
266	K	41.9	Very low	39.9	Very low	285 Å²	285	153.2 Å²	153.2	100%	1.239	85%	0.854	S	S	*	*				-163.3	0	107	-105.5	-175.3	-177.7	-179.1	0	109.3

Retrieved 266 of 266 residues in 110.4 ms (Link to these results)

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