A0A3Q0KM61_SCHMA Loading...

Putative u3 small nucleolar rna (U3 snorna) associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KM61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 443 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	51.9	Low	72.3	Confident	243 Å²	243	146 Å²	146	100%	1.197	71%	0.71	S	S	*	*				0	118.9	0	-78.9	-179.3	177.7	0	0	108.3	S3	M1-S3 PolarHBondContact O-N 2.99Å; M1-S3 VanDerWaalsContact O-N 3.08Å
2	L	66.1	Low	72.4	Confident	162 Å²	162	147.7 Å²	147.7	85%	0.848	72%	0.715	S	S	*	*			trans	-76.3	91.9	171.5	-81.9	133.9	0	0	0	108	R4	L2-R4 PolarHBondContact O-N 2.86Å; L2-R4 VanDerWaalsContact O-N 3.15Å
3	S	73.8	Confident	72.7	Confident	121 Å²	121	141.7 Å²	141.7	85%	0.846	69%	0.693	S	S	*	*			trans	-63.8	109.3	167.4	170.9	0	0	0	0	107.7	M1	M1-S3 PolarHBondContact O-N 2.99Å; M1-S3 VanDerWaalsContact O-N 3.08Å
4	R	76.1	Confident	72.8	Confident	179 Å²	179	137.7 Å²	137.7	68%	0.675	69%	0.694	S	S	*	*			trans	-101.6	127.7	176.4	-82.5	-172.9	177.5	166.2	1	108.2	L2 P6 F9	L2-R4 PolarHBondContact O-N 2.86Å; L2-R4 VanDerWaalsContact O-N 3.15Å; R4-P6 VanDerWaalsContact O-CD 3.29Å; R4-P6 WeakPolarHBondContact O-CD 3.45Å; R4-F9 HydrophobicContact CB-CE2 3.67Å; R4-F9 HydrophobicContact CB-CZ 3.61Å; R4-F9 HydrophobicContact CG-CE2 4.43Å; R4-F9 HydrophobicContact CG-CZ 3.92Å
5	N	78	Confident	73.1	Confident	88 Å²	88	138.7 Å²	138.7	47%	0.471	70%	0.703	S	S	.	*			trans	-70.2	114.7	179.6	-173.2	-7.5	0	0	0	108.9	S7 D8 F9	N5-S7 PolarHBondContact ND2-OG 2.72Å; N5-S7 VanDerWaalsContact ND2-OG 3.07Å; N5-S7 PolarHBondContact O-N 3.36Å; N5-S7 PolarHBondContact OD1-N 2.79Å; N5-S7 PolarHBondContact OD1-OG 3.06Å; N5-D8 PolarHBondContact O-N 3.24Å; N5-F9 WeakPolarHBondContact O-CE2 3.4Å
6	P	77.1	Confident	73.3	Confident	76 Å²	76	135.4 Å²	135.4	49%	0.494	69%	0.687	S	S	.	*	G	3₁₀ helix	trans	-62	-16.4	-174.4	22.7	-32.4	0	0	0	113.8	R4 D8 R10	R4-P6 VanDerWaalsContact O-CD 3.29Å; R4-P6 WeakPolarHBondContact O-CD 3.45Å; P6-D8 VanDerWaalsContact C-N 3.28Å; P6-D8 PolarHBondContact O-N 3.4Å; P6-R10 WeakPolarHBondContact O-CG 3.4Å; P6-R10 PolarHBondContact O-N 3.33Å
7	S	72.2	Confident	73.4	Confident	71 Å²	71	134.2 Å²	134.2	50%	0.497	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-65	-27.4	173.1	51.9	0	0	0	0	113.5	N5 F9	N5-S7 PolarHBondContact ND2-OG 2.72Å; N5-S7 VanDerWaalsContact ND2-OG 3.07Å; N5-S7 PolarHBondContact O-N 3.36Å; N5-S7 PolarHBondContact OD1-N 2.79Å; N5-S7 PolarHBondContact OD1-OG 3.06Å; S7-F9 VanDerWaalsContact C-N 3.3Å; S7-F9 PolarHBondContact O-N 3.23Å
8	D	75.7	Confident	73.7	Confident	119 Å²	119	136.9 Å²	136.9	64%	0.636	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-73.8	-17.7	-177	-62.8	-24	0	0	0	113.9	N5 P6	N5-D8 PolarHBondContact O-N 3.24Å; P6-D8 VanDerWaalsContact C-N 3.28Å; P6-D8 PolarHBondContact O-N 3.4Å
9	F	77.1	Confident	73.8	Confident	128 Å²	128	140.4 Å²	140.4	56%	0.561	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	-1.6	-177.3	-22.2	-80.7	0	0	0	113.2	R4 N5 S7	R4-F9 HydrophobicContact CB-CE2 3.67Å; R4-F9 HydrophobicContact CB-CZ 3.61Å; R4-F9 HydrophobicContact CG-CE2 4.43Å; R4-F9 HydrophobicContact CG-CZ 3.92Å; N5-F9 WeakPolarHBondContact O-CE2 3.4Å; S7-F9 VanDerWaalsContact C-N 3.3Å; S7-F9 PolarHBondContact O-N 3.23Å
10	R	72.8	Confident	74.1	Confident	186 Å²	186	141.1 Å²	141.1	70%	0.702	70%	0.703	S	S	*	*	S	Bend	trans	-71.9	136.9	170.2	-82.4	178	-174.3	-159.2	2.8	108.2	P6 E12	P6-R10 WeakPolarHBondContact O-CG 3.4Å; P6-R10 PolarHBondContact O-N 3.33Å; R10-E12 PolarHBondContact O-N 3.29Å; R10-E12 VanDerWaalsContact O-N 3.15Å
11	R	74.2	Confident	74.4	Confident	233 Å²	233	139.6 Å²	139.6	88%	0.879	70%	0.704	S	S	*	*			trans	-64.9	115.5	175.8	-152.7	176.8	-166.2	176.1	3.1	107	T13	R11-T13 PolarHBondContact O-N 2.99Å
12	E	73.9	Confident	75.8	Confident	166 Å²	166	137.2 Å²	137.2	78%	0.776	68%	0.682	S	S	*	*			trans	-53.1	115.7	176.3	-69.1	-179.3	171.6	0	0	108.9	R10	R10-E12 PolarHBondContact O-N 3.29Å; R10-E12 VanDerWaalsContact O-N 3.15Å
13	T	76.3	Confident	76.6	Confident	70 Å²	70	132.9 Å²	132.9	43%	0.429	66%	0.659	S	S	.	*			trans	-88.1	160.7	171.3	61.7	0	0	0	0	109.2	R11 D15 D16	R11-T13 PolarHBondContact O-N 2.99Å; T13-D15 PolarHBondContact O-N 2.9Å; T13-D16 PolarHBondContact N-OD2 3.14Å; T13-D16 PolarHBondContact O-N 2.86Å; T13-D16 VanDerWaalsContact OG1-CG 3.29Å; T13-D16 PolarHBondContact OG1-OD2 2.98Å
14	A	74.6	Confident	77.2	Confident	86 Å²	86	134.3 Å²	134.3	71%	0.711	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-22.6	176.7	0	0	0	0	0	112.7
15	D	77	Confident	77.7	Confident	153 Å²	153	129.7 Å²	129.7	82%	0.818	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-18.8	177.9	-60.1	-31.1	0	0	0	113.1	T13	T13-D15 PolarHBondContact O-N 2.9Å
16	D	76.5	Confident	78	Confident	85 Å²	85	129.3 Å²	129.3	46%	0.455	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-16.1	177.2	-63.8	-47.4	0	0	0	112.7	T13 F18	T13-D16 PolarHBondContact N-OD2 3.14Å; T13-D16 PolarHBondContact O-N 2.86Å; T13-D16 VanDerWaalsContact OG1-CG 3.29Å; T13-D16 PolarHBondContact OG1-OD2 2.98Å; D16-F18 PolarHBondContact O-N 3.38Å; D16-F18 VanDerWaalsContact O-N 3.08Å
17	I	75.3	Confident	78.6	Confident	116 Å²	116	131 Å²	131	60%	0.595	66%	0.659	S	S	*	*	S	Bend	trans	-80.8	93.7	-179.7	-52.8	173.5	0	0	0	109.1	K19	I17-K19 PolarHBondContact O-N 3.39Å; I17-K19 VanDerWaalsContact O-N 3.15Å
18	F	77.7	Confident	79.2	Confident	182 Å²	182	132.8 Å²	132.8	80%	0.798	66%	0.659	S	S	*	*			trans	-58.4	120.9	170.3	-67.2	-79.7	0	0	0	110	D16 I20	D16-F18 PolarHBondContact O-N 3.38Å; D16-F18 VanDerWaalsContact O-N 3.08Å; F18-I20 PolarHBondContact O-N 2.86Å
19	K	76.6	Confident	79.7	Confident	204 Å²	204	130 Å²	130	89%	0.887	64%	0.642	S	S	*	*			trans	-66	99.3	171.8	-72.8	178.1	-176.2	167.1	0	108.7	I17	I17-K19 PolarHBondContact O-N 3.39Å; I17-K19 VanDerWaalsContact O-N 3.15Å
20	I	78.1	Confident	80.3	Confident	153 Å²	153	128.2 Å²	128.2	79%	0.785	64%	0.644	S	S	*	*			trans	-65.6	123.8	174.3	-56.2	172.3	0	0	0	107.8	F18	F18-I20 PolarHBondContact O-N 2.86Å
21	P	81.7	Confident	81.2	Confident	111 Å²	111	125.3 Å²	125.3	72%	0.721	64%	0.636	S	S	*	*			trans	-61.9	144.9	175	26.3	-33.2	0	0	0	109.7	N23	P21-N23 PolarHBondContact O-N 3.05Å
22	R	80.3	Confident	81.9	Confident	193 Å²	193	116.6 Å²	116.6	73%	0.728	61%	0.611	S	S	*	*			trans	-62.8	113	-180	-178.8	-179.9	-179.8	-178	-2.5	109.7	H24	R22-H24 PolarHBondContact O-CD2 3.3Å
23	N	84.6	Confident	82.7	Confident	71 Å²	71	112.5 Å²	112.5	38%	0.38	60%	0.6	S	S	.	*			trans	-72.4	130.3	170.5	-160	-24.5	0	0	0	110	P21 N25 E28 H29	P21-N23 PolarHBondContact O-N 3.05Å; N23-N25 WeakPolarHBondContact OD1-CB 3.3Å; N23-N25 PolarHBondContact OD1-N 3.3Å; N23-E28 WeakPolarHBondContact CB-OE2 3.17Å; N23-E28 PolarHBondContact ND2-OE1 2.85Å; N23-E28 PolarHBondContact ND2-OE2 3.39Å; N23-H29 PolarHBondContact O-NE2 3.02Å
24	H	84.5	Confident	83.6	Confident	150 Å²	150	114 Å²	114	69%	0.694	60%	0.602	S	S	*	*			trans	-95.9	-3.1	-179.4	-73	-80.8	0	0	0	113.3	R22 A26	R22-H24 PolarHBondContact O-CD2 3.3Å; H24-A26 PolarHBondContact O-N 3Å
25	N	87.2	Confident	84.6	Confident	83 Å²	83	116.5 Å²	116.5	44%	0.444	59%	0.593	S	S	.	*			trans	-67.2	123.1	-178.6	-159	0.1	0	0	0	111.3	N23 T27 E28 H29	N23-N25 WeakPolarHBondContact OD1-CB 3.3Å; N23-N25 PolarHBondContact OD1-N 3.3Å; N25-T27 VanDerWaalsContact CG-OG1 3.27Å; N25-T27 PolarHBondContact ND2-OG1 2.89Å; N25-T27 PolarHBondContact O-N 2.94Å; N25-T27 PolarHBondContact OD1-OG1 3.44Å; N25-E28 HydrophobicContact CB-CG 4.48Å; N25-E28 PolarHBondContact O-N 3.12Å; N25-H29 PolarHBondContact O-CD2 2.92Å
26	A	84.3	Confident	85.4	Confident	79 Å²	79	111.7 Å²	111.7	65%	0.653	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-64	-30	-174.5	0	0	0	0	0	112.8	H24 E28 H29	H24-A26 PolarHBondContact O-N 3Å; A26-E28 VanDerWaalsContact C-N 3.25Å; A26-E28 PolarHBondContact O-N 2.99Å; A26-H29 CarbonylContact O-C 3.59Å; A26-H29 PolarHBondContact O-N 2.72Å; A26-H29 VanDerWaalsContact O-N 3.12Å
27	T	89.2	Confident	86.4	Confident	111 Å²	111	109.4 Å²	109.4	68%	0.681	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-64	-28.5	178	52.4	0	0	0	0	113.1	N25 H29	N25-T27 VanDerWaalsContact CG-OG1 3.27Å; N25-T27 PolarHBondContact ND2-OG1 2.89Å; N25-T27 PolarHBondContact O-N 2.94Å; N25-T27 PolarHBondContact OD1-OG1 3.44Å; T27-H29 VanDerWaalsContact C-N 3.33Å
28	E	86.5	Confident	87.4	Confident	110 Å²	110	107.4 Å²	107.4	51%	0.514	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-84.5	-9	177.3	-66.7	-176.5	-156.2	0	0	113.2	N23 N25 A26 P30	N23-E28 WeakPolarHBondContact CB-OE2 3.17Å; N23-E28 PolarHBondContact ND2-OE1 2.85Å; N23-E28 PolarHBondContact ND2-OE2 3.39Å; N25-E28 HydrophobicContact CB-CG 4.48Å; N25-E28 PolarHBondContact O-N 3.12Å; A26-E28 VanDerWaalsContact C-N 3.25Å; A26-E28 PolarHBondContact O-N 2.99Å; E28-P30 WeakPolarHBondContact O-CD 3.33Å
29	H	85.7	Confident	88.3	Confident	59 Å²	59	106 Å²	106	27%	0.273	53%	0.534	S	S	.	.			trans	-121.5	62.4	177.3	-61.4	-78	0	0	0	111.5	N23 N25 A26 T27 F31 S32	N23-H29 PolarHBondContact O-NE2 3.02Å; N25-H29 PolarHBondContact O-CD2 2.92Å; A26-H29 CarbonylContact O-C 3.59Å; A26-H29 PolarHBondContact O-N 2.72Å; A26-H29 VanDerWaalsContact O-N 3.12Å; T27-H29 VanDerWaalsContact C-N 3.33Å; H29-F31 PolarHBondContact O-N 3.28Å; H29-F31 VanDerWaalsContact O-N 3.12Å; H29-S32 WeakPolarHBondContact O-CB 3.41Å; H29-S32 PolarHBondContact O-N 3.17Å
30	P	88.9	Confident	89.3	Confident	92 Å²	92	96.3 Å²	96.3	60%	0.597	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.8	-176.8	23.9	-34.1	0	0	0	112.7	E28	E28-P30 WeakPolarHBondContact O-CD 3.33Å
31	F	91.3	Very high	90.2	Very high	124 Å²	124	89.8 Å²	89.8	54%	0.544	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	23.1	179.2	-56.1	-62.2	0	0	0	114.5	H29 C33 E34 R35	H29-F31 PolarHBondContact O-N 3.28Å; H29-F31 VanDerWaalsContact O-N 3.12Å; F31-C33 VanDerWaalsContact C-N 3.32Å; F31-C33 PolarHBondContact O-N 3.48Å; F31-E34 VanDerWaalsContact C-OE2 3.26Å; F31-E34 WeakPolarHBondContact CA-OE2 3.5Å; F31-E34 PolarHBondContact O-N 2.99Å; F31-R35 WeakPolarHBondContact O-CB 3.45Å; F31-R35 WeakPolarHBondContact O-CG 3.3Å; F31-R35 PolarHBondContact O-N 2.86Å
32	S	90	Very high	90.9	Very high	50 Å²	50	88.1 Å²	88.1	35%	0.35	44%	0.443	S	S	.	.	H	α-helix	trans	-59.9	-44.6	-176.5	-168.8	0	0	0	0	111.4	H29 R35 E36	H29-S32 WeakPolarHBondContact O-CB 3.41Å; H29-S32 PolarHBondContact O-N 3.17Å; S32-R35 PolarHBondContact O-N 3.27Å; S32-E36 WeakPolarHBondContact O-CB 3.27Å; S32-E36 WeakPolarHBondContact O-CG 3.44Å; S32-E36 PolarHBondContact O-N 3.2Å
33	C	91.5	Very high	91.7	Very high	81 Å²	81	79.4 Å²	79.4	55%	0.547	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-43.2	-178.9	-68.3	0	0	0	0	112.3	F31 E36 Y37	F31-C33 VanDerWaalsContact C-N 3.32Å; F31-C33 PolarHBondContact O-N 3.48Å; C33-E36 PolarHBondContact O-N 2.87Å; C33-Y37 WeakPolarHBondContact O-CB 3.34Å; C33-Y37 PolarHBondContact O-N 2.94Å
34	E	94.4	Very high	92.2	Very high	102 Å²	102	76.1 Å²	76.1	48%	0.477	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-41.2	178.1	-64.2	80.3	179.3	0	0	110.9	F31 Y37 V38	F31-E34 VanDerWaalsContact C-OE2 3.26Å; F31-E34 WeakPolarHBondContact CA-OE2 3.5Å; F31-E34 PolarHBondContact O-N 2.99Å; E34-Y37 PolarHBondContact O-N 3.03Å; E34-V38 VanDerWaalsContact O-CG2 3.31Å; E34-V38 WeakPolarHBondContact O-CG2 3.47Å; E34-V38 PolarHBondContact O-N 3.2Å
35	R	94.7	Very high	92.7	Very high	138 Å²	138	74.4 Å²	74.4	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-42.9	174.8	-72.9	171.9	-177.5	175.6	1.8	111.4	F31 S32 R39	F31-R35 WeakPolarHBondContact O-CB 3.45Å; F31-R35 WeakPolarHBondContact O-CG 3.3Å; F31-R35 PolarHBondContact O-N 2.86Å; S32-R35 PolarHBondContact O-N 3.27Å; R35-R39 WeakPolarHBondContact O-CB 3.48Å; R35-R39 VanDerWaalsContact O-CG 3.24Å; R35-R39 WeakPolarHBondContact O-CG 3.49Å; R35-R39 PolarHBondContact O-N 3.17Å
36	E	95.3	Very high	93.1	Very high	51 Å²	51	74.9 Å²	74.9	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-42.2	174.6	-77.1	-173	178	0	0	112	S32 C33 R39 A40 L376 K379 F380	S32-E36 WeakPolarHBondContact O-CB 3.27Å; S32-E36 WeakPolarHBondContact O-CG 3.44Å; S32-E36 PolarHBondContact O-N 3.2Å; C33-E36 PolarHBondContact O-N 2.87Å; E36-R39 WeakPolarHBondContact O-CB 3.35Å; E36-R39 PolarHBondContact O-N 2.99Å; E36-A40 WeakPolarHBondContact O-CB 3.28Å; E36-A40 PolarHBondContact O-N 3.15Å; E36-L376 HydrophobicContact CB-CD2 3.75Å; E36-L376 HydrophobicContact CG-CD2 3.83Å; E36-K379 IonicContact OE2-NZ 3.02Å; E36-K379 PolarHBondContact OE2-NZ 2.74Å; E36-F380 HydrophobicContact CB-CE2 3.81Å; E36-F380 HydrophobicContact CB-CZ 4.09Å
37	Y	96.6	Very high	93.5	Very high	38 Å²	38	71.9 Å²	71.9	15%	0.149	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-48.3	175.9	174.2	-114.1	0	0	0	112	C33 E34 R39 A40 I41 F380 H383 E385 V386	C33-Y37 WeakPolarHBondContact O-CB 3.34Å; C33-Y37 PolarHBondContact O-N 2.94Å; E34-Y37 PolarHBondContact O-N 3.03Å; Y37-R39 VanDerWaalsContact C-N 3.29Å; Y37-R39 PolarHBondContact O-N 3.07Å; Y37-A40 WeakPolarHBondContact O-CA 3.47Å; Y37-A40 WeakPolarHBondContact O-CB 3.42Å; Y37-A40 PolarHBondContact O-N 3.42Å; Y37-I41 HydrophobicContact CD1-CD1 3.82Å; Y37-I41 HydrophobicContact CD2-CD1 4.42Å; Y37-I41 HydrophobicContact CD2-CG1 4.48Å; Y37-I41 HydrophobicContact CE1-CD1 3.22Å; Y37-I41 HydrophobicContact CE1-CG1 4.2Å; Y37-I41 HydrophobicContact CE2-CD1 3.9Å; Y37-I41 HydrophobicContact CE2-CG1 3.98Å; Y37-I41 HydrophobicContact CG-CD1 4.38Å; Y37-I41 PolarHBondContact O-N 3.17Å; Y37-I41 WeakPolarHBondContact OH-CD1 3.41Å; Y37-F380 HydrophobicContact CD2-CB 4.39Å; Y37-F380 AromaticContact CD2-CD1 3.64Å; Y37-F380 HydrophobicContact CD2-CD1 3.64Å; Y37-F380 HydrophobicContact CD2-CE1 4.11Å; Y37-F380 HydrophobicContact CD2-CG 4.1Å; Y37-F380 HydrophobicContact CG-CD1 4.39Å; Y37-F380 HydrophobicContact CG-CE1 4.43Å; Y37-H383 HydrophobicContact CE2-CB 3.9Å; Y37-H383 AromaticContact CE2-CE1 3.65Å; Y37-H383 AromaticContact CE2-CG 3.4Å; Y37-H383 AromaticContact CE2-ND1 3.14Å; Y37-H383 WeakPolarHBondContact CE2-ND1 3.45Å; Y37-H383 AromaticContact CZ-CE1 3.45Å; Y37-H383 VanDerWaalsContact CZ-CE1 3.45Å; Y37-H383 AromaticContact CZ-CG 3.99Å; Y37-H383 AromaticContact CZ-ND1 3.23Å; Y37-H383 PolarHBondContact OH-CE1 3.47Å; Y37-H383 VanDerWaalsContact OH-CE1 3.29Å; Y37-H383 PolarHBondContact OH-ND1 2.84Å; Y37-E385 WeakPolarHBondContact OH-CB 3.16Å; Y37-E385 PolarHBondContact OH-OE2 3.15Å; Y37-V386 HydrophobicContact CD2-CG2 4.5Å; Y37-V386 HydrophobicContact CE2-CG2 3.89Å
38	V	96.7	Very high	93.6	Very high	73 Å²	73	70.2 Å²	70.2	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-40.8	176.4	171.8	0	0	0	0	110.9	E34 A40 I41 N42	E34-V38 VanDerWaalsContact O-CG2 3.31Å; E34-V38 WeakPolarHBondContact O-CG2 3.47Å; E34-V38 PolarHBondContact O-N 3.2Å; V38-A40 VanDerWaalsContact C-N 3.35Å; V38-I41 PolarHBondContact O-N 2.74Å; V38-N42 WeakPolarHBondContact O-CB 3.35Å; V38-N42 VanDerWaalsContact O-CG 3.28Å; V38-N42 PolarHBondContact O-N 2.96Å; V38-N42 PolarHBondContact O-ND2 3.2Å
39	R	96.5	Very high	93.9	Very high	154 Å²	154	72 Å²	72	58%	0.581	36%	0.358	S	S	*	.	H	α-helix	trans	-62.5	-40.2	173.1	-74.3	173.6	-177.2	-177.1	1.9	111.9	R35 E36 Y37 N42 A43 L376	R35-R39 WeakPolarHBondContact O-CB 3.48Å; R35-R39 VanDerWaalsContact O-CG 3.24Å; R35-R39 WeakPolarHBondContact O-CG 3.49Å; R35-R39 PolarHBondContact O-N 3.17Å; E36-R39 WeakPolarHBondContact O-CB 3.35Å; E36-R39 PolarHBondContact O-N 2.99Å; Y37-R39 VanDerWaalsContact C-N 3.29Å; Y37-R39 PolarHBondContact O-N 3.07Å; R39-N42 PolarHBondContact O-N 3.04Å; R39-A43 VanDerWaalsContact O-CB 3.27Å; R39-A43 WeakPolarHBondContact O-CB 3.39Å; R39-A43 PolarHBondContact O-N 3.16Å; R39-L376 HydrophobicContact CB-CD1 3.78Å
40	A	97.1	Very high	94.2	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-43	176.4	0	0	0	0	0	112.1	E36 Y37 V38 A43 A44 L376 F380	E36-A40 WeakPolarHBondContact O-CB 3.28Å; E36-A40 PolarHBondContact O-N 3.15Å; Y37-A40 WeakPolarHBondContact O-CA 3.47Å; Y37-A40 WeakPolarHBondContact O-CB 3.42Å; Y37-A40 PolarHBondContact O-N 3.42Å; V38-A40 VanDerWaalsContact C-N 3.35Å; A40-A43 PolarHBondContact O-N 3.28Å; A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.29Å; A40-L376 HydrophobicContact CB-CB 4.05Å; A40-L376 WeakPolarHBondContact CB-O 3.36Å; A40-F380 HydrophobicContact CB-CB 3.84Å; A40-F380 HydrophobicContact CB-CD2 3.7Å; A40-F380 HydrophobicContact CB-CG 4.04Å
41	I	97.4	Very high	94.3	Very high	15 Å²	15	71.7 Å²	71.7	8%	0.077	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-49.5	173.3	-68.5	162.5	0	0	0	110.4	Y37 V38 A43 A44 K45 V386 I389	Y37-I41 HydrophobicContact CD1-CD1 3.82Å; Y37-I41 HydrophobicContact CD2-CD1 4.42Å; Y37-I41 HydrophobicContact CD2-CG1 4.48Å; Y37-I41 HydrophobicContact CE1-CD1 3.22Å; Y37-I41 HydrophobicContact CE1-CG1 4.2Å; Y37-I41 HydrophobicContact CE2-CD1 3.9Å; Y37-I41 HydrophobicContact CE2-CG1 3.98Å; Y37-I41 HydrophobicContact CG-CD1 4.38Å; Y37-I41 PolarHBondContact O-N 3.17Å; Y37-I41 WeakPolarHBondContact OH-CD1 3.41Å; V38-I41 PolarHBondContact O-N 2.74Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.38Å; I41-A44 PolarHBondContact O-N 3.02Å; I41-K45 HydrophobicContact CG2-CD 4.03Å; I41-K45 HydrophobicContact CG2-CG 4.34Å; I41-K45 WeakPolarHBondContact O-CG 3.32Å; I41-K45 PolarHBondContact O-N 3.33Å; I41-V386 HydrophobicContact CG1-CG2 3.72Å; I41-I389 HydrophobicContact CG2-CD1 4.05Å
42	N	96.9	Very high	94.4	Very high	77 Å²	77	73.1 Å²	73.1	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-41.4	-179.4	-72.1	-17.1	0	0	0	111.2	V38 R39 A44 K45 L46	V38-N42 WeakPolarHBondContact O-CB 3.35Å; V38-N42 VanDerWaalsContact O-CG 3.28Å; V38-N42 PolarHBondContact O-N 2.96Å; V38-N42 PolarHBondContact O-ND2 3.2Å; R39-N42 PolarHBondContact O-N 3.04Å; N42-A44 PolarHBondContact O-N 2.91Å; N42-K45 PolarHBondContact O-N 3.2Å; N42-L46 WeakPolarHBondContact O-CB 3.45Å; N42-L46 VanDerWaalsContact O-CG 3.27Å; N42-L46 WeakPolarHBondContact O-CG 3.4Å; N42-L46 PolarHBondContact O-N 2.99Å
43	A	95.8	Very high	94.7	Very high	10 Å²	10	72.1 Å²	72.1	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-42.4	173.4	0	0	0	0	0	112.2	R39 A40 I41 G47	R39-A43 VanDerWaalsContact O-CB 3.27Å; R39-A43 WeakPolarHBondContact O-CB 3.39Å; R39-A43 PolarHBondContact O-N 3.16Å; A40-A43 PolarHBondContact O-N 3.28Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.38Å; A43-G47 PolarHBondContact O-N 3.44Å
44	A	95.5	Very high	94.9	Very high	2 Å²	2	72.6 Å²	72.6	2%	0.017	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-43.2	176.3	0	0	0	0	0	112	A40 I41 N42 K48 R377 V386 I389 L390	A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.29Å; I41-A44 PolarHBondContact O-N 3.02Å; N42-A44 PolarHBondContact O-N 2.91Å; A44-K48 PolarHBondContact O-N 2.89Å; A44-R377 HydrophobicContact CB-CG 4.48Å; A44-V386 HydrophobicContact CB-CG1 4.37Å; A44-I389 HydrophobicContact CB-CB 4.42Å; A44-I389 HydrophobicContact CB-CG2 3.92Å; A44-L390 HydrophobicContact CB-CD2 4.08Å; A44-L390 HydrophobicContact CB-CG 4.44Å
45	K	96.2	Very high	94.9	Very high	113 Å²	113	69.1 Å²	69.1	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-48.9	175.7	-71.2	178.2	-179.5	172.8	0	111.6	I41 N42 G47 K48 M49 I389	I41-K45 HydrophobicContact CG2-CD 4.03Å; I41-K45 HydrophobicContact CG2-CG 4.34Å; I41-K45 WeakPolarHBondContact O-CG 3.32Å; I41-K45 PolarHBondContact O-N 3.33Å; N42-K45 PolarHBondContact O-N 3.2Å; K45-G47 VanDerWaalsContact C-N 3.34Å; K45-G47 PolarHBondContact O-N 2.91Å; K45-K48 PolarHBondContact O-N 3.18Å; K45-K48 VanDerWaalsContact O-N 3.14Å; K45-M49 PolarHBondContact O-N 3.41Å; K45-I389 HydrophobicContact CG-CD1 3.9Å
46	L	94.7	Very high	94.9	Very high	93 Å²	93	63 Å²	63	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-41.7	178.3	-74.2	171.8	0	0	0	111.6	N42 K48 M49 M50	N42-L46 WeakPolarHBondContact O-CB 3.45Å; N42-L46 VanDerWaalsContact O-CG 3.27Å; N42-L46 WeakPolarHBondContact O-CG 3.4Å; N42-L46 PolarHBondContact O-N 2.99Å; L46-K48 VanDerWaalsContact C-N 3.26Å; L46-K48 PolarHBondContact O-N 3.41Å; L46-M49 PolarHBondContact O-N 3.01Å; L46-M50 VanDerWaalsContact O-CB 3.31Å; L46-M50 WeakPolarHBondContact O-CB 3.35Å; L46-M50 VanDerWaalsContact O-CG 3.3Å; L46-M50 WeakPolarHBondContact O-CG 3.41Å; L46-M50 PolarHBondContact O-N 3.36Å
47	G	92	Very high	94.9	Very high	16 Å²	16	61.7 Å²	61.7	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-38.8	174.8	0	0	0	0	0	112.5	A43 K45 G51 N356	A43-G47 PolarHBondContact O-N 3.44Å; K45-G47 VanDerWaalsContact C-N 3.34Å; K45-G47 PolarHBondContact O-N 2.91Å; G47-G51 PolarHBondContact O-N 2.76Å; G47-N356 WeakPolarHBondContact O-CB 3.38Å
48	K	92	Very high	94.8	Very high	76 Å²	76	59.9 Å²	59.9	33%	0.33	30%	0.303	S	S	.	.	H	α-helix	trans	-73	-42.3	174.8	-67.9	-61.6	178.1	-163.2	0	113.2	A44 K45 L46 G51 I389	A44-K48 PolarHBondContact O-N 2.89Å; K45-K48 PolarHBondContact O-N 3.18Å; K45-K48 VanDerWaalsContact O-N 3.14Å; L46-K48 VanDerWaalsContact C-N 3.26Å; L46-K48 PolarHBondContact O-N 3.41Å; K48-G51 PolarHBondContact O-N 3.23Å; K48-I389 WeakPolarHBondContact CE-O 3.22Å; K48-I389 HydrophobicContact CG-CG2 4.1Å
49	M	92.7	Very high	94.4	Very high	149 Å²	149	63.6 Å²	63.6	73%	0.734	32%	0.316	S	S	*	.	H	α-helix	trans	-65.7	-38.8	179.6	-172.4	-177.3	-172.8	0	0	112.5	K45 L46 G51	K45-M49 PolarHBondContact O-N 3.41Å; L46-M49 PolarHBondContact O-N 3.01Å; M49-G51 VanDerWaalsContact C-N 3.3Å
50	M	91.8	Very high	93.9	Very high	117 Å²	117	58 Å²	58	58%	0.576	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3	179.6	-61.2	-60.5	-179.7	0	0	113.1	L46 K52	L46-M50 VanDerWaalsContact O-CB 3.31Å; L46-M50 WeakPolarHBondContact O-CB 3.35Å; L46-M50 VanDerWaalsContact O-CG 3.3Å; L46-M50 WeakPolarHBondContact O-CG 3.41Å; L46-M50 PolarHBondContact O-N 3.36Å; M50-K52 PolarHBondContact O-N 3.24Å
51	G	91.5	Very high	93.6	Very high	27 Å²	27	58.7 Å²	58.7	28%	0.278	31%	0.311	S	S	.	.			trans	-67.3	96.4	179.8	0	0	0	0	0	112	G47 K48 M49 P53 A355	G47-G51 PolarHBondContact O-N 2.76Å; K48-G51 PolarHBondContact O-N 3.23Å; M49-G51 VanDerWaalsContact C-N 3.3Å; G51-P53 WeakPolarHBondContact O-CD 3.39Å; G51-A355 WeakPolarHBondContact CA-O 3.5Å
52	K	93.1	Very high	93.2	Very high	153 Å²	153	61.9 Å²	61.9	67%	0.665	33%	0.331	S	S	*	.			trans	-119	86.3	172	-68	-175.1	-177	-180	0	108.7	M50 K352 A355	M50-K52 PolarHBondContact O-N 3.24Å; K52-K352 WeakPolarHBondContact O-CD 3.29Å; K52-K352 WeakPolarHBondContact O-CE 3.43Å; K52-A355 PolarHBondContact N-O 2.87Å
53	P	95.7	Very high	93.1	Very high	29 Å²	29	61.8 Å²	61.8	19%	0.188	33%	0.328	C	S	.	.			trans	-75.9	-34.7	-173.9	28	-33.3	0	0	0	113	G51 I55 Y319 W351 K352 A355	G51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-I55 PolarHBondContact O-N 2.92Å; P53-Y319 HydrophobicContact CB-CD1 3.42Å; P53-Y319 VanDerWaalsContact CB-CD1 3.42Å; P53-Y319 HydrophobicContact CB-CD2 4.13Å; P53-Y319 HydrophobicContact CB-CE1 3.15Å; P53-Y319 HydrophobicContact CB-CE2 3.9Å; P53-Y319 HydrophobicContact CB-CG 3.92Å; P53-Y319 VanDerWaalsContact CB-CZ 3.41Å; P53-Y319 HydrophobicContact CG-CD1 3.5Å; P53-Y319 HydrophobicContact CG-CE1 3.6Å; P53-Y319 HydrophobicContact CG-CG 4.21Å; P53-W351 HydrophobicContact CB-CE3 4.33Å; P53-W351 CarbonylContact O-C 3.59Å; P53-W351 WeakPolarHBondContact O-CA 3.34Å; P53-K352 PolarHBondContact O-N 2.86Å; P53-A355 HydrophobicContact CB-CB 3.86Å; P53-A355 HydrophobicContact CG-CB 4.25Å
54	F	96.3	Very high	93	Very high	92 Å²	92	64.9 Å²	64.9	40%	0.404	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.7	-178.9	-174.9	-115.9	0	0	0	111.1	G56 T321 R349 W351	F54-G56 WeakPolarHBondContact CE2-O 3.46Å; F54-G56 VanDerWaalsContact CZ-C 3.43Å; F54-T321 HydrophobicContact CD2-CG2 4.25Å; F54-T321 HydrophobicContact CE2-CG2 4.49Å; F54-T321 HydrophobicContact CG-CG2 4.43Å; F54-R349 HydrophobicContact CE2-CB 4Å; F54-R349 HydrophobicContact CE2-CG 3.94Å; F54-W351 VanDerWaalsContact CA-CE3 3.48Å; F54-W351 HydrophobicContact CB-CE3 3.74Å; F54-W351 HydrophobicContact CB-CH2 4.44Å; F54-W351 HydrophobicContact CB-CZ3 3.56Å; F54-W351 HydrophobicContact CD2-CD2 4.15Å; F54-W351 AromaticContact CD2-CE3 3.84Å; F54-W351 HydrophobicContact CD2-CE3 3.84Å; F54-W351 AromaticContact CD2-CH2 3.8Å; F54-W351 HydrophobicContact CD2-CH2 3.8Å; F54-W351 HydrophobicContact CD2-CZ2 4.07Å; F54-W351 AromaticContact CD2-CZ3 3.66Å; F54-W351 HydrophobicContact CD2-CZ3 3.66Å; F54-W351 HydrophobicContact CG-CE3 4.29Å; F54-W351 HydrophobicContact CG-CH2 4.47Å; F54-W351 HydrophobicContact CG-CZ3 4.02Å
55	I	95.1	Very high	93.1	Very high	29 Å²	29	64.8 Å²	64.8	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-45.3	-179.8	-67.5	166.4	0	0	0	110.6	P53 R95 F338 L350 W351 K352 I359	P53-I55 PolarHBondContact O-N 2.92Å; I55-R95 VanDerWaalsContact CG2-CZ 3.42Å; I55-R95 PolarHBondContact O-NH1 2.87Å; I55-F338 HydrophobicContact CD1-CD1 3.2Å; I55-F338 HydrophobicContact CD1-CE1 3.33Å; I55-F338 HydrophobicContact CD1-CG 4.39Å; I55-L350 HydrophobicContact CB-CB 4.42Å; I55-L350 HydrophobicContact CB-CD2 4.36Å; I55-L350 HydrophobicContact CB-CG 4.23Å; I55-L350 WeakPolarHBondContact CB-O 3.39Å; I55-L350 HydrophobicContact CD1-CD2 4.41Å; I55-L350 HydrophobicContact CD1-CG 4.1Å; I55-L350 HydrophobicContact CG2-CD2 3.87Å; I55-L350 HydrophobicContact CG2-CG 4.29Å; I55-L350 PolarHBondContact N-O 3.47Å; I55-W351 VanDerWaalsContact CD1-C 3.49Å; I55-K352 HydrophobicContact CD1-CB 4.48Å; I55-K352 HydrophobicContact CD1-CG 3.66Å; I55-K352 HydrophobicContact CG1-CG 3.89Å; I55-I359 HydrophobicContact CD1-CD1 4.28Å; I55-I359 HydrophobicContact CG1-CD1 4.19Å
56	G	94.9	Very high	93.1	Very high	8 Å²	8	60.7 Å²	60.7	8%	0.082	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	176.3	178.2	0	0	0	0	0	112.8	F54 L350	F54-G56 WeakPolarHBondContact CE2-O 3.46Å; F54-G56 VanDerWaalsContact CZ-C 3.43Å; G56-L350 PolarHBondContact N-O 2.97Å; G56-L350 PolarHBondContact O-N 2.94Å
57	A	94	Very high	93.1	Very high	25 Å²	25	56.9 Å²	56.9	21%	0.207	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	150.8	172.4	0	0	0	0	0	110.7	E59 V348	A57-E59 HydrophobicContact CB-CG 3.92Å; A57-V348 CarbonylContact C-O 3.48Å; A57-V348 WeakPolarHBondContact CA-O 3.37Å
58	L	94.3	Very high	93.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	82.4	169.1	-62	177.4	0	0	0	107	F80 W90 R95 L340 V348	L58-F80 HydrophobicContact CD1-CE2 3.65Å; L58-F80 HydrophobicContact CD1-CZ 3.62Å; L58-W90 HydrophobicContact CB-CE3 3.97Å; L58-W90 HydrophobicContact CB-CH2 3.97Å; L58-W90 HydrophobicContact CB-CZ3 3.64Å; L58-W90 HydrophobicContact CD1-CE3 4.45Å; L58-W90 HydrophobicContact CD2-CE3 4.02Å; L58-W90 HydrophobicContact CD2-CZ3 4.15Å; L58-W90 HydrophobicContact CG-CE3 4.37Å; L58-W90 HydrophobicContact CG-CZ3 4.43Å; L58-R95 VanDerWaalsContact CD2-CA 3.42Å; L58-R95 HydrophobicContact CD2-CB 3.64Å; L58-R95 HydrophobicContact CD2-CG 3.89Å; L58-L340 HydrophobicContact CD1-CD2 3.89Å; L58-V348 HydrophobicContact CB-CB 4.2Å; L58-V348 HydrophobicContact CD1-CB 4.33Å; L58-V348 HydrophobicContact CD1-CG1 3.91Å; L58-V348 PolarHBondContact N-O 3.1Å
59	E	88.6	Confident	93.5	Very high	150 Å²	150	53.8 Å²	53.8	70%	0.701	29%	0.292	S	S	*	.			trans	-81.3	130.9	-174.8	-63.8	179.9	-178	0	0	110.8	A57 W90	A57-E59 HydrophobicContact CB-CG 3.92Å; E59-W90 WeakPolarHBondContact O-CH2 3.38Å
60	G	86.8	Confident	93.6	Very high	37 Å²	37	47.9 Å²	47.9	38%	0.381	26%	0.263	S	S	.	.			trans	143.7	-3.2	179.3	0	0	0	0	0	115.4	K97	G60-K97 PolarHBondContact O-NZ 2.5Å
61	S	89.8	Confident	93.5	Very high	14 Å²	14	42.4 Å²	42.4	10%	0.098	24%	0.236	C	C	.	.			trans	-83.9	127.1	168.7	-51.1	0	0	0	0	109.8	Q88	S61-Q88 PolarHBondContact OG-OE1 2.9Å
62	T	89.6	Confident	93.3	Very high	83 Å²	83	44.1 Å²	44.1	51%	0.509	24%	0.241	S	C	.	.	S	Bend	trans	-78.9	-26	179.6	-35.4	0	0	0	0	111.9	Q346	T62-Q346 PolarHBondContact O-NE2 2.71Å; T62-Q346 VanDerWaalsContact O-NE2 3.14Å; T62-Q346 PolarHBondContact O-OE1 3.08Å
63	E	94.6	Very high	92.9	Very high	74 Å²	74	41.5 Å²	41.5	35%	0.346	23%	0.231	S	C	.	.	S	Bend	trans	-129.1	176.3	179.7	-70.6	-152.1	171.2	0	0	112.1	A83 D84	E63-A83 HydrophobicContact CB-CB 4.47Å; E63-A83 VanDerWaalsContact OE2-C 3.25Å; E63-A83 WeakPolarHBondContact OE2-CB 3.2Å; E63-D84 HydrophobicContact CB-CB 4.45Å; E63-D84 VanDerWaalsContact CD-CB 3.48Å; E63-D84 HydrophobicContact CG-CB 3.99Å; E63-D84 WeakPolarHBondContact OE2-CB 3.48Å; E63-D84 PolarHBondContact OE2-N 3.37Å
64	M	94.7	Very high	92.6	Very high	76 Å²	76	42.2 Å²	42.2	37%	0.374	24%	0.235	S	C	.	.			trans	-66.2	137.8	179.5	71.3	-173.5	93.4	0	0	110.8	T66 T82 A83 L328	M64-T66 HydrophobicContact CG-CG2 4.07Å; M64-T82 WeakPolarHBondContact O-CA 3.17Å; M64-A83 HydrophobicContact CG-CB 3.71Å; M64-A83 PolarHBondContact O-N 3.24Å; M64-L328 HydrophobicContact CB-CD1 3.94Å; M64-L328 HydrophobicContact CG-CD1 4.09Å; M64-L328 HydrophobicContact SD-CD1 3.74Å
65	V	96.8	Very high	92.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.1	174.4	170.8	0	0	0	0	108.7	I68 F80 G81 T82 S342 V348	V65-I68 HydrophobicContact CG1-CD1 4.03Å; V65-I68 HydrophobicContact CG1-CG1 3.56Å; V65-F80 HydrophobicContact CG1-CB 3.79Å; V65-F80 HydrophobicContact CG1-CG 4.12Å; V65-F80 HydrophobicContact CG2-CB 4.11Å; V65-F80 HydrophobicContact CG2-CD2 4.38Å; V65-F80 HydrophobicContact CG2-CG 4.49Å; V65-G81 CarbonylContact C-O 3.52Å; V65-G81 WeakPolarHBondContact CA-O 3.43Å; V65-T82 HydrophobicContact CG2-CG2 4.03Å; V65-S342 WeakPolarHBondContact CB-OG 3.33Å; V65-S342 WeakPolarHBondContact O-CB 3.47Å; V65-S342 PolarHBondContact O-OG 3.31Å; V65-V348 HydrophobicContact CB-CG2 3.89Å; V65-V348 HydrophobicContact CG1-CG2 4.3Å; V65-V348 HydrophobicContact CG2-CG2 3.62Å
66	T	96.1	Very high	92	Very high	27 Å²	27	42.8 Å²	42.8	17%	0.166	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-26.9	-172.3	50.4	0	0	0	0	112.5	M64 G81 A83 E107 V108 V329	M64-T66 HydrophobicContact CG-CG2 4.07Å; T66-G81 PolarHBondContact N-O 3.47Å; T66-G81 PolarHBondContact OG1-O 3.37Å; T66-A83 HydrophobicContact CG2-CB 4.02Å; T66-E107 HydrophobicContact CG2-CG 3.89Å; T66-E107 WeakPolarHBondContact CG2-OE1 3.27Å; T66-V108 WeakPolarHBondContact CB-O 3.43Å; T66-V108 PolarHBondContact OG1-O 3.04Å; T66-V329 VanDerWaalsContact O-CG2 3.28Å; T66-V329 WeakPolarHBondContact O-CG2 3.49Å
67	A	95.7	Very high	91.9	Very high	12 Å²	12	43.6 Å²	43.6	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.5	176.2	0	0	0	0	0	111	F80 G81 I111	A67-F80 WeakPolarHBondContact O-CA 3.14Å; A67-G81 PolarHBondContact N-O 3.46Å; A67-G81 PolarHBondContact O-N 2.82Å; A67-I111 HydrophobicContact CB-CD1 4.47Å; A67-I111 HydrophobicContact CB-CG1 4.18Å
68	I	96.5	Very high	91.9	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.8	174.8	-61.2	179.6	0	0	0	108.7	V65 F80 V329 K331 V348	V65-I68 HydrophobicContact CG1-CD1 4.03Å; V65-I68 HydrophobicContact CG1-CG1 3.56Å; I68-F80 HydrophobicContact CB-CD1 4.12Å; I68-F80 HydrophobicContact CB-CE1 4.39Å; I68-F80 HydrophobicContact CD1-CD1 4.15Å; I68-F80 HydrophobicContact CD1-CE1 4.09Å; I68-F80 HydrophobicContact CG1-CD1 3.66Å; I68-F80 HydrophobicContact CG1-CE1 4.05Å; I68-F80 HydrophobicContact CG1-CG 4.41Å; I68-F80 HydrophobicContact CG2-CD1 3.73Å; I68-F80 HydrophobicContact CG2-CE1 3.61Å; I68-V329 HydrophobicContact CB-CG1 4.03Å; I68-V329 HydrophobicContact CD1-CB 4.36Å; I68-V329 HydrophobicContact CD1-CG1 4Å; I68-V329 HydrophobicContact CG1-CG1 3.94Å; I68-K331 HydrophobicContact CB-CG 3.99Å; I68-K331 HydrophobicContact CG2-CB 4.35Å; I68-K331 HydrophobicContact CG2-CG 3.8Å; I68-V348 HydrophobicContact CD1-CG1 4.44Å
69	S	95	Very high	92	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.119	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.3	171.2	-160	0	0	0	0	109.9	A78 T79 I111 H113	S69-A78 WeakPolarHBondContact O-CA 3.4Å; S69-T79 WeakPolarHBondContact CB-OG1 3.17Å; S69-T79 PolarHBondContact N-O 3.08Å; S69-T79 PolarHBondContact O-N 3.01Å; S69-T79 PolarHBondContact O-OG1 2.72Å; S69-I111 WeakPolarHBondContact CB-O 3.49Å; S69-I111 PolarHBondContact OG-O 3.1Å; S69-H113 VanDerWaalsContact CB-ND1 3.34Å; S69-H113 WeakPolarHBondContact CB-ND1 3.48Å; S69-H113 PolarHBondContact O-CE1 3.34Å; S69-H113 PolarHBondContact OG-ND1 2.77Å
70	L	94	Very high	92.4	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.131	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.9	178.3	-61.8	178.1	0	0	0	109.6	A78 I92 H113 K331 V332 L334 L340	L70-A78 HydrophobicContact CD2-CB 3.91Å; L70-I92 HydrophobicContact CD2-CD1 4.25Å; L70-H113 PolarHBondContact O-ND1 2.84Å; L70-K331 HydrophobicContact CD1-CB 4.39Å; L70-V332 WeakPolarHBondContact CD1-O 3.46Å; L70-L334 HydrophobicContact CB-CG 4.5Å; L70-L334 HydrophobicContact CD1-CG 4.35Å; L70-L340 HydrophobicContact CD2-CD1 4.07Å
71	N	90.9	Very high	92.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.011	19%	0.187	C	C	.	.			trans	-76.1	128.1	175.2	-168.1	-59.6	0	0	0	110.5	E73 T74 M77 Y136 L334	N71-E73 PolarHBondContact OD1-N 3.16Å; N71-T74 VanDerWaalsContact CG-OG1 3.27Å; N71-T74 PolarHBondContact OD1-N 2.8Å; N71-T74 PolarHBondContact OD1-OG1 3.21Å; N71-M77 HydrophobicContact CB-CB 3.82Å; N71-M77 WeakPolarHBondContact CB-O 3.48Å; N71-M77 PolarHBondContact N-O 2.8Å; N71-Y136 VanDerWaalsContact CG-OH 3.28Å; N71-Y136 PolarHBondContact ND2-OH 3.31Å; N71-Y136 PolarHBondContact OD1-OH 2.81Å; N71-Y136 VanDerWaalsContact OD1-OH 3.05Å; N71-L334 WeakPolarHBondContact O-CD1 3.29Å
72	T	86.6	Confident	93.2	Very high	62 Å²	62	32.8 Å²	32.8	38%	0.38	18%	0.183	S	C	.	.	S	Bend	trans	-83.9	-22.2	-176.9	53.8	0	0	0	0	114.1	N115	T72-N115 PolarHBondContact OG1-O 2.83Å
73	E	85.5	Confident	93.5	Very high	98 Å²	98	29.8 Å²	29.8	46%	0.458	17%	0.166	S	C	.	.	S	Bend	trans	-92.5	-40.9	179.5	-72.9	-175	163.7	0	0	112.2	N71 K116 S117	N71-E73 PolarHBondContact OD1-N 3.16Å; E73-K116 VanDerWaalsContact CD-C 3.44Å; E73-K116 VanDerWaalsContact OE1-CA 3.31Å; E73-K116 WeakPolarHBondContact OE1-CA 3.45Å; E73-S117 WeakPolarHBondContact CB-OG 3.1Å; E73-S117 WeakPolarHBondContact CG-OG 3.24Å; E73-S117 PolarHBondContact OE2-OG 2.94Å
74	T	88.1	Confident	93.5	Very high	44 Å²	44	28.1 Å²	28.1	27%	0.27	16%	0.16	S	C	.	.	S	Bend	trans	-114.7	107.3	-176.6	55.3	0	0	0	0	111.3	N71 M77 Y136	N71-T74 VanDerWaalsContact CG-OG1 3.27Å; N71-T74 PolarHBondContact OD1-N 2.8Å; N71-T74 PolarHBondContact OD1-OG1 3.21Å; T74-M77 PolarHBondContact O-N 3.12Å; T74-M77 WeakPolarHBondContact OG1-CG 3.24Å; T74-Y136 HydrophobicContact CG2-CD1 4.4Å; T74-Y136 HydrophobicContact CG2-CE1 3.81Å; T74-Y136 HydrophobicContact CG2-CE2 4.17Å; T74-Y136 WeakPolarHBondContact OG1-CE1 3.48Å; T74-Y136 PolarHBondContact OG1-OH 3.06Å
75	L	89.4	Confident	93.6	Very high	115 Å²	115	24.5 Å²	24.5	60%	0.602	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	140	177.9	-63.7	177.2	0	0	0	111.4	M77 L334	L75-M77 VanDerWaalsContact C-N 3.35Å; L75-L334 HydrophobicContact CD2-CB 3.55Å; L75-L334 HydrophobicContact CD2-CD1 4.32Å
76	G	90.4	Very high	93.5	Very high	19 Å²	19	26.4 Å²	26.4	20%	0.196	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	3.5	179.5	0	0	0	0	0	114.4	N91 I92	G76-N91 CarbonylContact O-C 3.58Å; G76-I92 WeakPolarHBondContact O-CB 3.48Å; G76-I92 WeakPolarHBondContact O-CG1 3.37Å; G76-I92 PolarHBondContact O-N 3.4Å
77	M	92.8	Very high	93.5	Very high	24 Å²	24	25.1 Å²	25.1	12%	0.118	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.2	172.6	-53.5	-54.8	-69.7	0	0	111	N71 T74 L75 F89 W90 N91 V98	N71-M77 HydrophobicContact CB-CB 3.82Å; N71-M77 WeakPolarHBondContact CB-O 3.48Å; N71-M77 PolarHBondContact N-O 2.8Å; T74-M77 PolarHBondContact O-N 3.12Å; T74-M77 WeakPolarHBondContact OG1-CG 3.24Å; L75-M77 VanDerWaalsContact C-N 3.35Å; M77-F89 HydrophobicContact CB-CE2 3.99Å; M77-F89 HydrophobicContact CB-CZ 3.74Å; M77-F89 HydrophobicContact CE-CD1 3.87Å; M77-F89 HydrophobicContact CE-CE1 3.06Å; M77-F89 HydrophobicContact CE-CE2 4.28Å; M77-F89 HydrophobicContact CE-CZ 3.35Å; M77-F89 HydrophobicContact CG-CZ 4.14Å; M77-W90 WeakPolarHBondContact CA-O 3.46Å; M77-N91 HydrophobicContact CE-CB 3.94Å; M77-N91 HydrophobicContact SD-CB 3.71Å; M77-V98 HydrophobicContact CE-CG2 4.09Å
78	A	94.6	Very high	93.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	151.6	176.2	0	0	0	0	0	112.3	S69 L70 F80 F89 W90 I92	S69-A78 WeakPolarHBondContact O-CA 3.4Å; L70-A78 HydrophobicContact CD2-CB 3.91Å; A78-F80 HydrophobicContact CB-CD1 4.35Å; A78-F80 HydrophobicContact CB-CE1 3.65Å; A78-F80 HydrophobicContact CB-CZ 4.3Å; A78-F89 WeakPolarHBondContact O-CD2 2.97Å; A78-W90 PolarHBondContact N-O 3.18Å; A78-W90 PolarHBondContact O-N 3.25Å; A78-I92 HydrophobicContact CB-CD1 3.79Å; A78-I92 HydrophobicContact CB-CG1 4.17Å
79	T	95.4	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.9	170.6	51.3	0	0	0	0	110.7	S69 Q88 F89 I111 H113 I120 W143	S69-T79 WeakPolarHBondContact CB-OG1 3.17Å; S69-T79 PolarHBondContact N-O 3.08Å; S69-T79 PolarHBondContact O-N 3.01Å; S69-T79 PolarHBondContact O-OG1 2.72Å; T79-Q88 CarbonylContact C-O 3.52Å; T79-Q88 VanDerWaalsContact CA-O 3.26Å; T79-Q88 WeakPolarHBondContact CA-O 3.49Å; T79-F89 HydrophobicContact CG2-CD2 3.62Å; T79-F89 HydrophobicContact CG2-CE2 4.25Å; T79-I111 WeakPolarHBondContact OG1-CG2 3.18Å; T79-H113 PolarHBondContact OG1-CE1 3.32Å; T79-I120 HydrophobicContact CG2-CD1 3.42Å; T79-I120 VanDerWaalsContact CG2-CD1 3.42Å; T79-W143 HydrophobicContact CG2-CH2 3.81Å; T79-W143 HydrophobicContact CG2-CZ2 4.25Å
80	F	96.3	Very high	93.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.2	176.3	-57.4	-18.4	0	0	0	109.8	L58 V65 A67 I68 A78 V87 Q88 W90 L340 V348	L58-F80 HydrophobicContact CD1-CE2 3.65Å; L58-F80 HydrophobicContact CD1-CZ 3.62Å; V65-F80 HydrophobicContact CG1-CB 3.79Å; V65-F80 HydrophobicContact CG1-CG 4.12Å; V65-F80 HydrophobicContact CG2-CB 4.11Å; V65-F80 HydrophobicContact CG2-CD2 4.38Å; V65-F80 HydrophobicContact CG2-CG 4.49Å; A67-F80 WeakPolarHBondContact O-CA 3.14Å; I68-F80 HydrophobicContact CB-CD1 4.12Å; I68-F80 HydrophobicContact CB-CE1 4.39Å; I68-F80 HydrophobicContact CD1-CD1 4.15Å; I68-F80 HydrophobicContact CD1-CE1 4.09Å; I68-F80 HydrophobicContact CG1-CD1 3.66Å; I68-F80 HydrophobicContact CG1-CE1 4.05Å; I68-F80 HydrophobicContact CG1-CG 4.41Å; I68-F80 HydrophobicContact CG2-CD1 3.73Å; I68-F80 HydrophobicContact CG2-CE1 3.61Å; A78-F80 HydrophobicContact CB-CD1 4.35Å; A78-F80 HydrophobicContact CB-CE1 3.65Å; A78-F80 HydrophobicContact CB-CZ 4.3Å; F80-V87 CarbonylContact O-C 3.53Å; F80-V87 WeakPolarHBondContact O-CA 3.31Å; F80-Q88 HydrophobicContact CB-CB 4.46Å; F80-Q88 PolarHBondContact N-O 3.39Å; F80-Q88 PolarHBondContact O-N 2.98Å; F80-W90 AromaticContact CD2-CD1 3.18Å; F80-W90 HydrophobicContact CD2-CD2 4.25Å; F80-W90 AromaticContact CD2-CE2 3.92Å; F80-W90 AromaticContact CD2-CG 3.81Å; F80-W90 HydrophobicContact CD2-CG 3.81Å; F80-W90 AromaticContact CD2-NE1 3.24Å; F80-W90 HydrophobicContact CE2-CB 4.1Å; F80-W90 AromaticContact CE2-CD1 3.44Å; F80-W90 VanDerWaalsContact CE2-CD1 3.44Å; F80-W90 AromaticContact CE2-CD2 3.9Å; F80-W90 HydrophobicContact CE2-CD2 3.9Å; F80-W90 AromaticContact CE2-CE2 3.97Å; F80-W90 AromaticContact CE2-CG 3.55Å; F80-W90 HydrophobicContact CE2-CG 3.55Å; F80-W90 AromaticContact CE2-NE1 3.68Å; F80-W90 AromaticContact CG-CD1 3.8Å; F80-W90 HydrophobicContact CZ-CB 4.24Å; F80-W90 HydrophobicContact CZ-CG 4.18Å; F80-L340 HydrophobicContact CE1-CD1 4.28Å; F80-L340 HydrophobicContact CZ-CD1 4.33Å; F80-V348 HydrophobicContact CD2-CG2 4.2Å; F80-V348 HydrophobicContact CE2-CB 4.24Å; F80-V348 HydrophobicContact CE2-CG1 4.1Å; F80-V348 HydrophobicContact CE2-CG2 4.12Å; F80-V348 HydrophobicContact CZ-CG1 4.09Å
81	G	96.7	Very high	93.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.3	169.3	0	0	0	0	0	109.1	V65 T66 A67 I111	V65-G81 CarbonylContact C-O 3.52Å; V65-G81 WeakPolarHBondContact CA-O 3.43Å; T66-G81 PolarHBondContact N-O 3.47Å; T66-G81 PolarHBondContact OG1-O 3.37Å; A67-G81 PolarHBondContact N-O 3.46Å; A67-G81 PolarHBondContact O-N 2.82Å; G81-I111 VanDerWaalsContact CA-CD1 3.4Å
82	T	96.9	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	164.9	-176.6	53.9	0	0	0	0	111.8	M64 V65 D84 G85 K86 V108	M64-T82 WeakPolarHBondContact O-CA 3.17Å; V65-T82 HydrophobicContact CG2-CG2 4.03Å; T82-D84 VanDerWaalsContact C-N 3.27Å; T82-D84 WeakPolarHBondContact CB-OD1 3.45Å; T82-D84 PolarHBondContact O-N 2.82Å; T82-D84 PolarHBondContact OG1-OD1 2.98Å; T82-G85 PolarHBondContact O-N 3.22Å; T82-K86 PolarHBondContact N-O 3.39Å; T82-K86 WeakPolarHBondContact OG1-CA 3.15Å; T82-K86 VanDerWaalsContact OG1-CB 3.3Å; T82-K86 WeakPolarHBondContact OG1-CB 3.3Å; T82-K86 PolarHBondContact OG1-N 3.35Å; T82-K86 VanDerWaalsContact OG1-N 3.1Å; T82-K86 PolarHBondContact OG1-O 3.07Å; T82-V108 PolarHBondContact O-N 2.95Å; T82-V108 VanDerWaalsContact O-N 3.1Å
83	A	96.3	Very high	93.9	Very high	19 Å²	19	25 Å²	25	16%	0.157	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.8	177.7	0	0	0	0	0	114.2	E63 M64 T66 G85 E107	E63-A83 HydrophobicContact CB-CB 4.47Å; E63-A83 VanDerWaalsContact OE2-C 3.25Å; E63-A83 WeakPolarHBondContact OE2-CB 3.2Å; M64-A83 HydrophobicContact CG-CB 3.71Å; M64-A83 PolarHBondContact O-N 3.24Å; T66-A83 HydrophobicContact CG2-CB 4.02Å; A83-G85 VanDerWaalsContact C-N 3.27Å; A83-G85 PolarHBondContact O-N 2.83Å; A83-E107 HydrophobicContact CB-CG 4.5Å; A83-E107 WeakPolarHBondContact O-CA 3.31Å; A83-E107 PolarHBondContact O-N 3.1Å
84	D	95.5	Very high	94.2	Very high	40 Å²	40	27.8 Å²	27.8	21%	0.214	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	11.5	174.4	59.3	-10	0	0	0	113.6	E63 T82 K86	E63-D84 HydrophobicContact CB-CB 4.45Å; E63-D84 VanDerWaalsContact CD-CB 3.48Å; E63-D84 HydrophobicContact CG-CB 3.99Å; E63-D84 WeakPolarHBondContact OE2-CB 3.48Å; E63-D84 PolarHBondContact OE2-N 3.37Å; T82-D84 VanDerWaalsContact C-N 3.27Å; T82-D84 WeakPolarHBondContact CB-OD1 3.45Å; T82-D84 PolarHBondContact O-N 2.82Å; T82-D84 PolarHBondContact OG1-OD1 2.98Å; D84-K86 VanDerWaalsContact C-N 3.3Å; D84-K86 PolarHBondContact O-N 3.2Å; D84-K86 WeakPolarHBondContact OD2-CD 3.39Å; D84-K86 WeakPolarHBondContact OD2-CE 3.32Å; D84-K86 IonicContact OD2-NZ 2.71Å; D84-K86 PolarHBondContact OD2-NZ 3.36Å
85	G	95.6	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	79.2	8.7	177	0	0	0	0	0	114.9	T82 A83 A103 H104 S106	T82-G85 PolarHBondContact O-N 3.22Å; A83-G85 VanDerWaalsContact C-N 3.27Å; A83-G85 PolarHBondContact O-N 2.83Å; G85-A103 PolarHBondContact O-N 3.5Å; G85-H104 WeakPolarHBondContact CA-O 3.23Å; G85-H104 PolarHBondContact O-N 3.44Å; G85-S106 WeakPolarHBondContact CA-O 3.47Å
86	K	96.4	Very high	94.8	Very high	39 Å²	39	28.8 Å²	28.8	17%	0.17	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	149.5	174.1	-56.8	-178.4	-173.9	134.7	0	111.7	T82 D84 E100 V101 I102	T82-K86 PolarHBondContact N-O 3.39Å; T82-K86 WeakPolarHBondContact OG1-CA 3.15Å; T82-K86 VanDerWaalsContact OG1-CB 3.3Å; T82-K86 WeakPolarHBondContact OG1-CB 3.3Å; T82-K86 PolarHBondContact OG1-N 3.35Å; T82-K86 VanDerWaalsContact OG1-N 3.1Å; T82-K86 PolarHBondContact OG1-O 3.07Å; D84-K86 VanDerWaalsContact C-N 3.3Å; D84-K86 PolarHBondContact O-N 3.2Å; D84-K86 WeakPolarHBondContact OD2-CD 3.39Å; D84-K86 WeakPolarHBondContact OD2-CE 3.32Å; D84-K86 IonicContact OD2-NZ 2.71Å; D84-K86 PolarHBondContact OD2-NZ 3.36Å; K86-E100 HydrophobicContact CB-CG 4.48Å; K86-E100 HydrophobicContact CD-CG 4.06Å; K86-E100 WeakPolarHBondContact CD-OE1 3.25Å; K86-V101 CarbonylContact C-O 3.58Å; K86-V101 VanDerWaalsContact CA-O 3.26Å; K86-V101 WeakPolarHBondContact CA-O 3.34Å; K86-I102 HydrophobicContact CG-CG1 4.13Å
87	V	96	Very high	94.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.9	170.4	175.4	0	0	0	0	107.8	F80 V101 A103 V108 I111 T122 W143	F80-V87 CarbonylContact O-C 3.53Å; F80-V87 WeakPolarHBondContact O-CA 3.31Å; V87-V101 PolarHBondContact N-O 2.89Å; V87-V101 PolarHBondContact O-N 3.39Å; V87-A103 HydrophobicContact CB-CB 3.87Å; V87-A103 HydrophobicContact CG2-CB 3.38Å; V87-V108 HydrophobicContact CG2-CG2 4.15Å; V87-I111 HydrophobicContact CG1-CD1 4.49Å; V87-I111 HydrophobicContact CG2-CD1 4.42Å; V87-T122 HydrophobicContact CG2-CG2 3.98Å; V87-W143 HydrophobicContact CG1-CH2 3.68Å; V87-W143 HydrophobicContact CG1-CZ3 3.89Å
88	Q	95	Very high	94.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.2	-176.2	-57.2	-177.3	-20.3	0	0	109.9	S61 T79 F80 W90 K97 V99 E100	S61-Q88 PolarHBondContact OG-OE1 2.9Å; T79-Q88 CarbonylContact C-O 3.52Å; T79-Q88 VanDerWaalsContact CA-O 3.26Å; T79-Q88 WeakPolarHBondContact CA-O 3.49Å; F80-Q88 HydrophobicContact CB-CB 4.46Å; F80-Q88 PolarHBondContact N-O 3.39Å; F80-Q88 PolarHBondContact O-N 2.98Å; Q88-W90 VanDerWaalsContact CB-NE1 3.25Å; Q88-K97 HydrophobicContact CB-CD 4.34Å; Q88-K97 HydrophobicContact CG-CD 4.17Å; Q88-V99 CarbonylContact C-O 3.48Å; Q88-V99 WeakPolarHBondContact CA-O 3.47Å; Q88-E100 HydrophobicContact CG-CB 4.23Å; Q88-E100 HydrophobicContact CG-CG 4.01Å; Q88-E100 PolarHBondContact NE2-OE1 3.39Å
89	F	94.4	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.8	171.5	-170.3	-121.9	0	0	0	110	M77 A78 T79 V98 V99 M134 Y136 I139 W143	M77-F89 HydrophobicContact CB-CE2 3.99Å; M77-F89 HydrophobicContact CB-CZ 3.74Å; M77-F89 HydrophobicContact CE-CD1 3.87Å; M77-F89 HydrophobicContact CE-CE1 3.06Å; M77-F89 HydrophobicContact CE-CE2 4.28Å; M77-F89 HydrophobicContact CE-CZ 3.35Å; M77-F89 HydrophobicContact CG-CZ 4.14Å; A78-F89 WeakPolarHBondContact O-CD2 2.97Å; T79-F89 HydrophobicContact CG2-CD2 3.62Å; T79-F89 HydrophobicContact CG2-CE2 4.25Å; F89-V98 HydrophobicContact CD1-CB 3.94Å; F89-V98 HydrophobicContact CD1-CG1 4.23Å; F89-V98 HydrophobicContact CD1-CG2 4.21Å; F89-V98 WeakPolarHBondContact O-CB 3.26Å; F89-V98 PolarHBondContact O-N 2.9Å; F89-V99 PolarHBondContact N-O 3.17Å; F89-V99 PolarHBondContact O-N 3.31Å; F89-M134 HydrophobicContact CD2-CE 4.33Å; F89-M134 HydrophobicContact CE2-CE 4.35Å; F89-M134 HydrophobicContact CE2-SD 4.23Å; F89-M134 HydrophobicContact CZ-SD 4.4Å; F89-Y136 HydrophobicContact CZ-CE1 4.36Å; F89-I139 HydrophobicContact CD1-CD1 3.48Å; F89-I139 VanDerWaalsContact CD1-CD1 3.48Å; F89-I139 HydrophobicContact CD1-CG2 4.29Å; F89-I139 HydrophobicContact CE1-CD1 3.14Å; F89-I139 HydrophobicContact CZ-CD1 4.06Å; F89-W143 HydrophobicContact CB-CE3 4.41Å; F89-W143 HydrophobicContact CB-CH2 3.76Å; F89-W143 HydrophobicContact CB-CZ3 3.62Å; F89-W143 HydrophobicContact CG-CH2 4.46Å
90	W	94.6	Very high	94.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.5	-170.2	-76.2	84.9	0	0	0	111.7	L58 E59 M77 A78 F80 Q88 K97	L58-W90 HydrophobicContact CB-CE3 3.97Å; L58-W90 HydrophobicContact CB-CH2 3.97Å; L58-W90 HydrophobicContact CB-CZ3 3.64Å; L58-W90 HydrophobicContact CD1-CE3 4.45Å; L58-W90 HydrophobicContact CD2-CE3 4.02Å; L58-W90 HydrophobicContact CD2-CZ3 4.15Å; L58-W90 HydrophobicContact CG-CE3 4.37Å; L58-W90 HydrophobicContact CG-CZ3 4.43Å; E59-W90 WeakPolarHBondContact O-CH2 3.38Å; M77-W90 WeakPolarHBondContact CA-O 3.46Å; A78-W90 PolarHBondContact N-O 3.18Å; A78-W90 PolarHBondContact O-N 3.25Å; F80-W90 AromaticContact CD2-CD1 3.18Å; F80-W90 HydrophobicContact CD2-CD2 4.25Å; F80-W90 AromaticContact CD2-CE2 3.92Å; F80-W90 AromaticContact CD2-CG 3.81Å; F80-W90 HydrophobicContact CD2-CG 3.81Å; F80-W90 AromaticContact CD2-NE1 3.24Å; F80-W90 HydrophobicContact CE2-CB 4.1Å; F80-W90 AromaticContact CE2-CD1 3.44Å; F80-W90 VanDerWaalsContact CE2-CD1 3.44Å; F80-W90 AromaticContact CE2-CD2 3.9Å; F80-W90 HydrophobicContact CE2-CD2 3.9Å; F80-W90 AromaticContact CE2-CE2 3.97Å; F80-W90 AromaticContact CE2-CG 3.55Å; F80-W90 HydrophobicContact CE2-CG 3.55Å; F80-W90 AromaticContact CE2-NE1 3.68Å; F80-W90 AromaticContact CG-CD1 3.8Å; F80-W90 HydrophobicContact CZ-CB 4.24Å; F80-W90 HydrophobicContact CZ-CG 4.18Å; Q88-W90 VanDerWaalsContact CB-NE1 3.25Å; W90-K97 HydrophobicContact CD2-CB 4.07Å; W90-K97 HydrophobicContact CD2-CG 4.39Å; W90-K97 HydrophobicContact CE3-CB 4.1Å; W90-K97 HydrophobicContact CH2-CB 3.86Å; W90-K97 HydrophobicContact CZ2-CB 3.82Å; W90-K97 HydrophobicContact CZ2-CD 3.89Å; W90-K97 HydrophobicContact CZ2-CG 4.05Å; W90-K97 HydrophobicContact CZ3-CB 3.99Å
91	N	94.4	Very high	94.8	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.16	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	104.6	161.9	-176.1	-36.8	0	0	0	108.1	G76 M77 S93 K94 R95 N96 V98	G76-N91 CarbonylContact O-C 3.58Å; M77-N91 HydrophobicContact CE-CB 3.94Å; M77-N91 HydrophobicContact SD-CB 3.71Å; N91-S93 VanDerWaalsContact C-N 3.32Å; N91-S93 PolarHBondContact O-N 3.12Å; N91-S93 WeakPolarHBondContact OD1-CB 3.49Å; N91-S93 PolarHBondContact OD1-N 3.42Å; N91-S93 VanDerWaalsContact OD1-N 3.16Å; N91-K94 HydrophobicContact CB-CB 4.42Å; N91-K94 PolarHBondContact O-N 3.34Å; N91-K94 PolarHBondContact OD1-N 3.34Å; N91-R95 WeakPolarHBondContact O-CA 3.31Å; N91-R95 PolarHBondContact O-N 2.99Å; N91-N96 WeakPolarHBondContact CB-OD1 3.14Å; N91-N96 PolarHBondContact N-O 2.84Å; N91-N96 PolarHBondContact O-N 2.79Å; N91-V98 HydrophobicContact CB-CG2 4.09Å
92	I	94.9	Very high	94.7	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-40.4	-177.2	-57.4	162.2	0	0	0	110.6	L70 G76 A78 K94 R95 T333 L340 L350	L70-I92 HydrophobicContact CD2-CD1 4.25Å; G76-I92 WeakPolarHBondContact O-CB 3.48Å; G76-I92 WeakPolarHBondContact O-CG1 3.37Å; G76-I92 PolarHBondContact O-N 3.4Å; A78-I92 HydrophobicContact CB-CD1 3.79Å; A78-I92 HydrophobicContact CB-CG1 4.17Å; I92-K94 PolarHBondContact O-N 3.48Å; I92-R95 WeakPolarHBondContact O-CG 3.32Å; I92-R95 PolarHBondContact O-N 3.44Å; I92-T333 HydrophobicContact CD1-CG2 4.4Å; I92-L340 HydrophobicContact CD1-CD1 3.74Å; I92-L340 HydrophobicContact CG1-CD1 4.24Å; I92-L340 HydrophobicContact CG2-CD2 4.13Å; I92-L350 HydrophobicContact CG2-CD1 3.61Å; I92-L350 HydrophobicContact CG2-CD2 3.86Å; I92-L350 HydrophobicContact CG2-CG 4.35Å
93	S	91.9	Very high	94.6	Very high	89 Å²	89	44.2 Å²	44.2	62%	0.622	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-43.1	-177.5	-58.2	0	0	0	0	111.6	N91	N91-S93 VanDerWaalsContact C-N 3.32Å; N91-S93 PolarHBondContact O-N 3.12Å; N91-S93 WeakPolarHBondContact OD1-CB 3.49Å; N91-S93 PolarHBondContact OD1-N 3.42Å; N91-S93 VanDerWaalsContact OD1-N 3.16Å
94	K	93.2	Very high	94.6	Very high	157 Å²	157	43.4 Å²	43.4	68%	0.683	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-10	176.4	-67.6	-176	-179.3	179.5	0	113.6	N91 I92 N96	N91-K94 HydrophobicContact CB-CB 4.42Å; N91-K94 PolarHBondContact O-N 3.34Å; N91-K94 PolarHBondContact OD1-N 3.34Å; I92-K94 PolarHBondContact O-N 3.48Å; K94-N96 WeakPolarHBondContact CB-OD1 3.38Å; K94-N96 PolarHBondContact O-N 2.89Å
95	R	94.4	Very high	94.6	Very high	108 Å²	108	50.1 Å²	50.1	41%	0.408	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	35	-176.7	-55.2	179.4	-148.1	171.6	6.4	113.8	I55 L58 N91 I92	I55-R95 VanDerWaalsContact CG2-CZ 3.42Å; I55-R95 PolarHBondContact O-NH1 2.87Å; L58-R95 VanDerWaalsContact CD2-CA 3.42Å; L58-R95 HydrophobicContact CD2-CB 3.64Å; L58-R95 HydrophobicContact CD2-CG 3.89Å; N91-R95 WeakPolarHBondContact O-CA 3.31Å; N91-R95 PolarHBondContact O-N 2.99Å; I92-R95 WeakPolarHBondContact O-CG 3.32Å; I92-R95 PolarHBondContact O-N 3.44Å
96	N	94.2	Very high	94.6	Very high	72 Å²	72	51.8 Å²	51.8	39%	0.385	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.1	179.5	68.9	-20.8	0	0	0	111.7	N91 K94	N91-N96 WeakPolarHBondContact CB-OD1 3.14Å; N91-N96 PolarHBondContact N-O 2.84Å; N91-N96 PolarHBondContact O-N 2.79Å; K94-N96 WeakPolarHBondContact CB-OD1 3.38Å; K94-N96 PolarHBondContact O-N 2.89Å
97	K	93.8	Very high	94.6	Very high	68 Å²	68	52.4 Å²	52.4	30%	0.296	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.5	171.5	-170	168.4	64.7	178.2	0	108	G60 Q88 W90 E100	G60-K97 PolarHBondContact O-NZ 2.5Å; Q88-K97 HydrophobicContact CB-CD 4.34Å; Q88-K97 HydrophobicContact CG-CD 4.17Å; W90-K97 HydrophobicContact CD2-CB 4.07Å; W90-K97 HydrophobicContact CD2-CG 4.39Å; W90-K97 HydrophobicContact CE3-CB 4.1Å; W90-K97 HydrophobicContact CH2-CB 3.86Å; W90-K97 HydrophobicContact CZ2-CB 3.82Å; W90-K97 HydrophobicContact CZ2-CD 3.89Å; W90-K97 HydrophobicContact CZ2-CG 4.05Å; W90-K97 HydrophobicContact CZ3-CB 3.99Å; K97-E100 HydrophobicContact CD-CB 4.05Å; K97-E100 WeakPolarHBondContact CE-OE2 3.21Å; K97-E100 IonicContact NZ-OE1 3.85Å; K97-E100 IonicContact NZ-OE2 2.64Å; K97-E100 PolarHBondContact NZ-OE2 3.44Å
98	V	92.8	Very high	94.6	Very high	62 Å²	62	52.3 Å²	52.3	38%	0.376	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-49.2	-179.6	-174.2	0	0	0	0	109.7	M77 F89 N91	M77-V98 HydrophobicContact CE-CG2 4.09Å; F89-V98 HydrophobicContact CD1-CB 3.94Å; F89-V98 HydrophobicContact CD1-CG1 4.23Å; F89-V98 HydrophobicContact CD1-CG2 4.21Å; F89-V98 WeakPolarHBondContact O-CB 3.26Å; F89-V98 PolarHBondContact O-N 2.9Å; N91-V98 HydrophobicContact CB-CG2 4.09Å
99	V	93.8	Very high	94.7	Very high	14 Å²	14	56.8 Å²	56.8	9%	0.085	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	148.4	179.7	-177.6	0	0	0	0	109.6	Q88 F89 V101 I139 V140 W143	Q88-V99 CarbonylContact C-O 3.48Å; Q88-V99 WeakPolarHBondContact CA-O 3.47Å; F89-V99 PolarHBondContact N-O 3.17Å; F89-V99 PolarHBondContact O-N 3.31Å; V99-V101 HydrophobicContact CG1-CG2 3.92Å; V99-I139 HydrophobicContact CB-CG2 4.34Å; V99-I139 HydrophobicContact CG2-CB 4.14Å; V99-I139 HydrophobicContact CG2-CG2 3.77Å; V99-V140 HydrophobicContact CG2-CB 4.34Å; V99-V140 HydrophobicContact CG2-CG2 3.64Å; V99-W143 HydrophobicContact CB-CE3 4.13Å; V99-W143 HydrophobicContact CG1-CB 4.26Å; V99-W143 HydrophobicContact CG1-CE3 3.84Å
100	E	94.3	Very high	94.7	Very high	67 Å²	67	57 Å²	57	31%	0.313	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134	168.8	173.2	170.8	-137.9	0	0	109.1	K86 Q88 K97	K86-E100 HydrophobicContact CB-CG 4.48Å; K86-E100 HydrophobicContact CD-CG 4.06Å; K86-E100 WeakPolarHBondContact CD-OE1 3.25Å; Q88-E100 HydrophobicContact CG-CB 4.23Å; Q88-E100 HydrophobicContact CG-CG 4.01Å; Q88-E100 PolarHBondContact NE2-OE1 3.39Å; K97-E100 HydrophobicContact CD-CB 4.05Å; K97-E100 WeakPolarHBondContact CE-OE2 3.21Å; K97-E100 IonicContact NZ-OE1 3.85Å; K97-E100 IonicContact NZ-OE2 2.64Å; K97-E100 PolarHBondContact NZ-OE2 3.44Å
101	V	95.1	Very high	94.8	Very high	28 Å²	28	57.5 Å²	57.5	17%	0.17	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.5	177.5	177.4	0	0	0	0	109.4	K86 V87 V99 A103 W132 W143	K86-V101 CarbonylContact C-O 3.58Å; K86-V101 VanDerWaalsContact CA-O 3.26Å; K86-V101 WeakPolarHBondContact CA-O 3.34Å; V87-V101 PolarHBondContact N-O 2.89Å; V87-V101 PolarHBondContact O-N 3.39Å; V99-V101 HydrophobicContact CG1-CG2 3.92Å; V101-A103 VanDerWaalsContact C-N 3.33Å; V101-A103 PolarHBondContact O-N 2.95Å; V101-W132 HydrophobicContact CG1-CH2 4.29Å; V101-W132 HydrophobicContact CG1-CZ3 4.37Å; V101-W143 WeakPolarHBondContact CG1-O 3.37Å; V101-W143 HydrophobicContact CG2-CB 3.92Å; V101-W143 HydrophobicContact CG2-CE3 4.48Å; V101-W143 WeakPolarHBondContact CG2-O 3.37Å
102	I	95.1	Very high	94.7	Very high	127 Å²	127	56.3 Å²	56.3	65%	0.651	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	92.3	167.6	-57.3	169.9	0	0	0	106.7	K86	K86-I102 HydrophobicContact CG-CG1 4.13Å
103	A	94.4	Very high	94.5	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	28%	0.28	C	S	.	.			trans	-80.9	-35.5	-175.1	0	0	0	0	0	111.4	G85 V87 V101 K130 W132	G85-A103 PolarHBondContact O-N 3.5Å; V87-A103 HydrophobicContact CB-CB 3.87Å; V87-A103 HydrophobicContact CG2-CB 3.38Å; V101-A103 VanDerWaalsContact C-N 3.33Å; V101-A103 PolarHBondContact O-N 2.95Å; A103-K130 WeakPolarHBondContact O-CD 3.19Å; A103-K130 VanDerWaalsContact O-CE 3.31Å; A103-K130 WeakPolarHBondContact O-CE 3.23Å; A103-K130 PolarHBondContact O-NZ 2.63Å; A103-W132 HydrophobicContact CB-CH2 3.99Å; A103-W132 HydrophobicContact CB-CZ2 3.48Å; A103-W132 VanDerWaalsContact CB-CZ2 3.48Å
104	H	96.7	Very high	94.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	25%	0.253	C	S	.	.			trans	-139.2	161.2	-172.5	-71	-81.4	0	0	0	110.7	G85 S106 T122 S124 D126 Q128	G85-H104 WeakPolarHBondContact CA-O 3.23Å; G85-H104 PolarHBondContact O-N 3.44Å; H104-S106 VanDerWaalsContact C-N 3.34Å; H104-T122 PolarHBondContact NE2-OG1 3.28Å; H104-S124 VanDerWaalsContact ND1-CB 3.3Å; H104-S124 WeakPolarHBondContact ND1-CB 3.29Å; H104-D126 VanDerWaalsContact CB-OD2 3.27Å; H104-D126 WeakPolarHBondContact CB-OD2 3.42Å; H104-D126 IonicContact CG-OD2 3.45Å; H104-D126 IonicContact ND1-OD1 3.34Å; H104-D126 PolarHBondContact ND1-OD1 3.28Å; H104-D126 IonicContact ND1-OD2 2.87Å; H104-D126 PolarHBondContact ND1-OD2 3Å; H104-Q128 PolarHBondContact CE1-O 3.28Å
105	E	95	Very high	93.2	Very high	182 Å²	182	49.2 Å²	49.2	85%	0.85	24%	0.242	S	C	*	.	S	Bend	trans	-86.9	-8.9	177.6	-65.9	-177.7	177.8	0	0	112.8	D126	E105-D126 PolarHBondContact N-OD2 3.05Å
106	S	95.9	Very high	92.1	Very high	34 Å²	34	51.6 Å²	51.6	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-144.6	177.1	179	75.9	0	0	0	0	111.6	G85 H104 V108 S124 L125 D126	G85-S106 WeakPolarHBondContact CA-O 3.47Å; H104-S106 VanDerWaalsContact C-N 3.34Å; S106-V108 PolarHBondContact O-N 3.28Å; S106-S124 VanDerWaalsContact C-OG 3.28Å; S106-S124 PolarHBondContact O-OG 3.27Å; S106-S124 PolarHBondContact OG-OG 3.39Å; S106-L125 VanDerWaalsContact OG-C 3.23Å; S106-L125 WeakPolarHBondContact OG-CB 3.08Å; S106-L125 PolarHBondContact OG-N 2.89Å; S106-D126 PolarHBondContact OG-N 2.82Å
107	E	96.2	Very high	90.7	Very high	52 Å²	52	48.2 Å²	48.2	24%	0.243	24%	0.237	C	C	.	.			trans	-44.9	126.3	-175.8	176.6	177.6	166.9	0	0	114	T66 A83 R109 S124 L125	T66-E107 HydrophobicContact CG2-CG 3.89Å; T66-E107 WeakPolarHBondContact CG2-OE1 3.27Å; A83-E107 HydrophobicContact CB-CG 4.5Å; A83-E107 WeakPolarHBondContact O-CA 3.31Å; A83-E107 PolarHBondContact O-N 3.1Å; E107-R109 HydrophobicContact CG-CG 4.5Å; E107-R109 PolarHBondContact O-N 2.93Å; E107-R109 WeakPolarHBondContact OE1-CD 3.36Å; E107-R109 IonicContact OE1-CZ 2.8Å; E107-R109 IonicContact OE1-NE 3.24Å; E107-R109 IonicContact OE1-NH1 3.61Å; E107-R109 PolarHBondContact OE1-NH1 3.16Å; E107-R109 IonicContact OE2-NH1 3.01Å; E107-S124 VanDerWaalsContact O-CA 3.27Å; E107-S124 WeakPolarHBondContact O-CA 3.41Å; E107-S124 WeakPolarHBondContact O-CB 3.44Å; E107-S124 PolarHBondContact O-OG 3.15Å; E107-L125 HydrophobicContact CB-CD1 4.13Å; E107-L125 PolarHBondContact O-N 3.24Å; E107-L125 VanDerWaalsContact O-N 3.17Å
108	V	97.5	Very high	90.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.7	171.4	-173.3	0	0	0	0	108.9	T66 T82 V87 S106 I111	T66-V108 WeakPolarHBondContact CB-O 3.43Å; T66-V108 PolarHBondContact OG1-O 3.04Å; T82-V108 PolarHBondContact O-N 2.95Å; T82-V108 VanDerWaalsContact O-N 3.1Å; V87-V108 HydrophobicContact CG2-CG2 4.15Å; S106-V108 PolarHBondContact O-N 3.28Å; V108-I111 HydrophobicContact CG1-CD1 3.95Å; V108-I111 HydrophobicContact CG1-CG1 3.65Å
109	R	96	Very high	90.2	Very high	93 Å²	93	52.5 Å²	52.5	35%	0.351	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-22.1	-176.7	-62.5	-63.4	-74.2	-162.5	-11.2	113.8	E107 C123 L125 H157	E107-R109 HydrophobicContact CG-CG 4.5Å; E107-R109 PolarHBondContact O-N 2.93Å; E107-R109 WeakPolarHBondContact OE1-CD 3.36Å; E107-R109 IonicContact OE1-CZ 2.8Å; E107-R109 IonicContact OE1-NE 3.24Å; E107-R109 IonicContact OE1-NH1 3.61Å; E107-R109 PolarHBondContact OE1-NH1 3.16Å; E107-R109 IonicContact OE2-NH1 3.01Å; R109-C123 PolarHBondContact N-O 3.28Å; R109-L125 HydrophobicContact CG-CD1 4.44Å; R109-L125 HydrophobicContact CG-CD2 3.66Å; R109-L125 HydrophobicContact CG-CG 3.63Å; R109-H157 WeakPolarHBondContact CB-O 3.43Å
110	G	94.9	Very high	90.1	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.4	-179.5	0	0	0	0	0	111.3	T122 C123	G110-T122 WeakPolarHBondContact O-CA 3.35Å; G110-C123 WeakPolarHBondContact CA-SG 3.45Å; G110-C123 PolarHBondContact N-O 3.12Å; G110-C123 PolarHBondContact N-SG 3.35Å; G110-C123 PolarHBondContact O-N 2.68Å
111	I	95.7	Very high	90.1	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.4	171.2	-56.3	-177.7	0	0	0	107.3	A67 S69 T79 G81 V87 V108 I120 Y121 T122	A67-I111 HydrophobicContact CB-CD1 4.47Å; A67-I111 HydrophobicContact CB-CG1 4.18Å; S69-I111 WeakPolarHBondContact CB-O 3.49Å; S69-I111 PolarHBondContact OG-O 3.1Å; T79-I111 WeakPolarHBondContact OG1-CG2 3.18Å; G81-I111 VanDerWaalsContact CA-CD1 3.4Å; V87-I111 HydrophobicContact CG1-CD1 4.49Å; V87-I111 HydrophobicContact CG2-CD1 4.42Å; V108-I111 HydrophobicContact CG1-CD1 3.95Å; V108-I111 HydrophobicContact CG1-CG1 3.65Å; I111-I120 HydrophobicContact CG2-CG2 3.78Å; I111-Y121 WeakPolarHBondContact CA-O 3.44Å; I111-T122 HydrophobicContact CG1-CG2 4.12Å; I111-T122 HydrophobicContact CG2-CG2 4.3Å
112	C	92.9	Very high	90.2	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142	172.8	64.6	0	0	0	0	111.1	I120 Y121 M159 H161	C112-I120 WeakPolarHBondContact O-CA 3.23Å; C112-Y121 PolarHBondContact N-O 2.84Å; C112-Y121 PolarHBondContact O-N 3.4Å; C112-M159 VanDerWaalsContact SG-CG 3.59Å; C112-M159 VanDerWaalsContact SG-SD 3.62Å; C112-H161 HydrophobicContact CB-CB 3.96Å
113	H	90.9	Very high	90.2	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.8	169.4	-66.8	76.8	0	0	0	108.7	S69 L70 T79 I120 H161	S69-H113 VanDerWaalsContact CB-ND1 3.34Å; S69-H113 WeakPolarHBondContact CB-ND1 3.48Å; S69-H113 PolarHBondContact O-CE1 3.34Å; S69-H113 PolarHBondContact OG-ND1 2.77Å; L70-H113 PolarHBondContact O-ND1 2.84Å; T79-H113 PolarHBondContact OG1-CE1 3.32Å; H113-I120 WeakPolarHBondContact CD2-CD1 3.16Å; H113-I120 WeakPolarHBondContact NE2-CD1 3.15Å; H113-H161 WeakPolarHBondContact O-CB 3.24Å
114	S	86.8	Confident	90.3	Very high	10 Å²	10	41.3 Å²	41.3	7%	0.07	19%	0.189	C	C	.	.			trans	-64.6	149.1	159.9	57.1	0	0	0	0	110.1	K116 S117 L119	S114-K116 PolarHBondContact O-N 3.34Å; S114-S117 WeakPolarHBondContact O-CA 3.47Å; S114-S117 PolarHBondContact O-N 3.2Å; S114-L119 PolarHBondContact N-O 2.99Å; S114-L119 PolarHBondContact OG-N 3.12Å; S114-L119 PolarHBondContact OG-O 3.4Å
115	N	71.1	Confident	90.2	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.2	-176.8	-100.7	19.4	0	0	0	114.4	T72 S117 P163	T72-N115 PolarHBondContact OG1-O 2.83Å; N115-S117 VanDerWaalsContact C-N 3.25Å; N115-P163 WeakPolarHBondContact CB-O 3.37Å; N115-P163 VanDerWaalsContact ND2-C 3.31Å; N115-P163 VanDerWaalsContact ND2-CA 3.31Å; N115-P163 WeakPolarHBondContact ND2-CA 3.44Å; N115-P163 PolarHBondContact ND2-O 3.16Å
116	K	71.6	Confident	90.3	Very high	159 Å²	159	37.3 Å²	37.3	69%	0.691	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	17.9	169.1	-65.4	-175.1	178.2	178.3	0	113.1	E73 S114 R118	E73-K116 VanDerWaalsContact CD-C 3.44Å; E73-K116 VanDerWaalsContact OE1-CA 3.31Å; E73-K116 WeakPolarHBondContact OE1-CA 3.45Å; S114-K116 PolarHBondContact O-N 3.34Å; K116-R118 WeakPolarHBondContact O-CG 3.41Å; K116-R118 PolarHBondContact O-N 2.85Å
117	S	65.4	Low	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	39.6	6.7	177.8	100.2	0	0	0	0	119.9	E73 S114 N115 L119 M134 Y136	E73-S117 WeakPolarHBondContact CB-OG 3.1Å; E73-S117 WeakPolarHBondContact CG-OG 3.24Å; E73-S117 PolarHBondContact OE2-OG 2.94Å; S114-S117 WeakPolarHBondContact O-CA 3.47Å; S114-S117 PolarHBondContact O-N 3.2Å; N115-S117 VanDerWaalsContact C-N 3.25Å; S117-L119 VanDerWaalsContact C-N 3.26Å; S117-L119 PolarHBondContact O-N 3.36Å; S117-M134 WeakPolarHBondContact O-CB 3.42Å; S117-M134 WeakPolarHBondContact O-CG 3.46Å; S117-Y136 PolarHBondContact OG-OH 3.4Å
118	R	84	Confident	90.1	Very high	179 Å²	179	36 Å²	36	68%	0.675	17%	0.165	S	C	*	.	S	Bend	trans	-74.4	-18.4	-179.3	-74.3	175.4	-169.5	-164.4	0.4	113.2	K116 M134	K116-R118 WeakPolarHBondContact O-CG 3.41Å; K116-R118 PolarHBondContact O-N 2.85Å; R118-M134 PolarHBondContact O-N 3.39Å
119	L	90.2	Very high	90	Very high	41 Å²	41	36 Å²	36	22%	0.215	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.5	-177.1	-63.6	166.5	0	0	0	110.1	S114 S117 Y121 Q131 W132 L147	S114-L119 PolarHBondContact N-O 2.99Å; S114-L119 PolarHBondContact OG-N 3.12Å; S114-L119 PolarHBondContact OG-O 3.4Å; S117-L119 VanDerWaalsContact C-N 3.26Å; S117-L119 PolarHBondContact O-N 3.36Å; L119-Y121 HydrophobicContact CB-CE2 4.33Å; L119-Q131 HydrophobicContact CD2-CG 4.11Å; L119-W132 CarbonylContact C-O 3.58Å; L119-W132 VanDerWaalsContact CA-O 3.29Å; L119-W132 WeakPolarHBondContact CA-O 3.38Å; L119-L147 HydrophobicContact CD2-CD2 3.87Å
120	I	93.1	Very high	89.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.3	171.5	-62.7	-168.9	0	0	0	108.4	T79 I111 C112 H113 T122 Q131 W132 M134 W143	T79-I120 HydrophobicContact CG2-CD1 3.42Å; T79-I120 VanDerWaalsContact CG2-CD1 3.42Å; I111-I120 HydrophobicContact CG2-CG2 3.78Å; C112-I120 WeakPolarHBondContact O-CA 3.23Å; H113-I120 WeakPolarHBondContact CD2-CD1 3.16Å; H113-I120 WeakPolarHBondContact NE2-CD1 3.15Å; I120-T122 HydrophobicContact CG2-CG2 4.14Å; I120-Q131 CarbonylContact O-C 3.59Å; I120-Q131 WeakPolarHBondContact O-CA 3.42Å; I120-W132 HydrophobicContact CB-CB 4.28Å; I120-W132 PolarHBondContact N-O 3.34Å; I120-W132 PolarHBondContact O-N 3.09Å; I120-M134 HydrophobicContact CD1-CE 3.16Å; I120-M134 HydrophobicContact CD1-CG 3.79Å; I120-M134 HydrophobicContact CD1-SD 3.7Å; I120-M134 HydrophobicContact CG1-CE 3.97Å; I120-M134 HydrophobicContact CG1-CG 3.67Å; I120-M134 HydrophobicContact CG1-SD 4.27Å; I120-W143 HydrophobicContact CD1-CZ2 4.22Å
121	Y	94.3	Very high	89.8	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.4	172.8	-55.6	-84.3	0	0	0	109.3	I111 C112 L119 K130 Q131 M159 H161 S181 I184	I111-Y121 WeakPolarHBondContact CA-O 3.44Å; C112-Y121 PolarHBondContact N-O 2.84Å; C112-Y121 PolarHBondContact O-N 3.4Å; L119-Y121 HydrophobicContact CB-CE2 4.33Å; Y121-K130 WeakPolarHBondContact CA-O 3.35Å; Y121-Q131 HydrophobicContact CD1-CB 4.11Å; Y121-Q131 HydrophobicContact CD1-CG 4.07Å; Y121-Q131 HydrophobicContact CE1-CB 4Å; Y121-Q131 HydrophobicContact CE1-CG 3.56Å; Y121-Q131 PolarHBondContact OH-NE2 2.88Å; Y121-Q131 VanDerWaalsContact OH-NE2 3.16Å; Y121-M159 WeakPolarHBondContact CB-SD 3.27Å; Y121-H161 AromaticContact CE2-CD2 3.71Å; Y121-S181 WeakPolarHBondContact OH-CB 3.17Å; Y121-S181 PolarHBondContact OH-OG 3.14Å; Y121-I184 HydrophobicContact CE1-CD1 4.31Å
122	T	96.4	Very high	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.1	176.5	63.2	0	0	0	0	109.2	V87 H104 G110 I111 I120 V129 K130 W132	V87-T122 HydrophobicContact CG2-CG2 3.98Å; H104-T122 PolarHBondContact NE2-OG1 3.28Å; G110-T122 WeakPolarHBondContact O-CA 3.35Å; I111-T122 HydrophobicContact CG1-CG2 4.12Å; I111-T122 HydrophobicContact CG2-CG2 4.3Å; I120-T122 HydrophobicContact CG2-CG2 4.14Å; T122-V129 CarbonylContact O-C 3.57Å; T122-V129 WeakPolarHBondContact O-CA 3.39Å; T122-K130 PolarHBondContact N-O 3.09Å; T122-K130 PolarHBondContact O-N 3.24Å; T122-W132 PolarHBondContact OG1-NE1 3Å
123	C	95.5	Very high	89.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.7	172.9	71.9	0	0	0	0	110.9	R109 G110 Q128 V129 P156 M159	R109-C123 PolarHBondContact N-O 3.28Å; G110-C123 WeakPolarHBondContact CA-SG 3.45Å; G110-C123 PolarHBondContact N-O 3.12Å; G110-C123 PolarHBondContact N-SG 3.35Å; G110-C123 PolarHBondContact O-N 2.68Å; C123-Q128 WeakPolarHBondContact CA-O 3.23Å; C123-V129 HydrophobicContact CB-CG2 4.13Å; C123-P156 HydrophobicContact CB-CB 3.88Å; C123-P156 HydrophobicContact CB-CG 3.68Å; C123-M159 HydrophobicContact CB-CE 3.66Å; C123-M159 HydrophobicContact CB-SD 4.44Å
124	S	96.4	Very high	89.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	165.5	-175.8	167	0	0	0	0	111.5	H104 S106 E107 D126 G127 Q128 P156	H104-S124 VanDerWaalsContact ND1-CB 3.3Å; H104-S124 WeakPolarHBondContact ND1-CB 3.29Å; S106-S124 VanDerWaalsContact C-OG 3.28Å; S106-S124 PolarHBondContact O-OG 3.27Å; S106-S124 PolarHBondContact OG-OG 3.39Å; E107-S124 VanDerWaalsContact O-CA 3.27Å; E107-S124 WeakPolarHBondContact O-CA 3.41Å; E107-S124 WeakPolarHBondContact O-CB 3.44Å; E107-S124 PolarHBondContact O-OG 3.15Å; S124-D126 VanDerWaalsContact CB-OD1 3.24Å; S124-D126 WeakPolarHBondContact CB-OD1 3.18Å; S124-D126 PolarHBondContact O-N 3.22Å; S124-D126 PolarHBondContact OG-N 3.26Å; S124-D126 PolarHBondContact OG-OD1 2.96Å; S124-G127 PolarHBondContact O-N 3.12Å; S124-Q128 PolarHBondContact N-O 3.33Å; S124-P156 VanDerWaalsContact O-CD 3.31Å; S124-P156 WeakPolarHBondContact O-CD 2.95Å; S124-P156 VanDerWaalsContact O-CG 3.28Å; S124-P156 WeakPolarHBondContact O-CG 3.48Å
125	L	95.7	Very high	89.4	Confident	64 Å²	64	42.6 Å²	42.6	34%	0.335	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.6	172.9	-64.1	179.4	0	0	0	113.4	S106 E107 R109 G127 T155	S106-L125 VanDerWaalsContact OG-C 3.23Å; S106-L125 WeakPolarHBondContact OG-CB 3.08Å; S106-L125 PolarHBondContact OG-N 2.89Å; E107-L125 HydrophobicContact CB-CD1 4.13Å; E107-L125 PolarHBondContact O-N 3.24Å; E107-L125 VanDerWaalsContact O-N 3.17Å; R109-L125 HydrophobicContact CG-CD1 4.44Å; R109-L125 HydrophobicContact CG-CD2 3.66Å; R109-L125 HydrophobicContact CG-CG 3.63Å; L125-G127 PolarHBondContact O-N 2.65Å; L125-T155 WeakPolarHBondContact O-CG2 3.34Å
126	D	95.5	Very high	89.9	Confident	37 Å²	37	42.6 Å²	42.6	20%	0.198	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.1	173.8	65.6	4.2	0	0	0	112.6	H104 E105 S106 S124 Q128	H104-D126 VanDerWaalsContact CB-OD2 3.27Å; H104-D126 WeakPolarHBondContact CB-OD2 3.42Å; H104-D126 IonicContact CG-OD2 3.45Å; H104-D126 IonicContact ND1-OD1 3.34Å; H104-D126 PolarHBondContact ND1-OD1 3.28Å; H104-D126 IonicContact ND1-OD2 2.87Å; H104-D126 PolarHBondContact ND1-OD2 3Å; E105-D126 PolarHBondContact N-OD2 3.05Å; S106-D126 PolarHBondContact OG-N 2.82Å; S124-D126 VanDerWaalsContact CB-OD1 3.24Å; S124-D126 WeakPolarHBondContact CB-OD1 3.18Å; S124-D126 PolarHBondContact O-N 3.22Å; S124-D126 PolarHBondContact OG-N 3.26Å; S124-D126 PolarHBondContact OG-OD1 2.96Å; D126-Q128 VanDerWaalsContact C-N 3.29Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.38Å; D126-Q128 PolarHBondContact OD1-N 3.33Å
127	G	93.9	Very high	90.5	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	19%	0.193	C	C	.	.	S	Bend	trans	81	6.7	-178.7	0	0	0	0	0	113.3	S124 L125 M152	S124-G127 PolarHBondContact O-N 3.12Å; L125-G127 PolarHBondContact O-N 2.65Å; G127-M152 VanDerWaalsContact O-CB 3.31Å; G127-M152 WeakPolarHBondContact O-CB 3.43Å; G127-M152 WeakPolarHBondContact O-CG 3.33Å; G127-M152 PolarHBondContact O-N 2.89Å
128	Q	94.4	Very high	91.5	Very high	52 Å²	52	46 Å²	46	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.9	-177.7	-59.4	-173.4	-3.3	0	0	112.5	H104 C123 S124 D126 V150 L151	H104-Q128 PolarHBondContact CE1-O 3.28Å; C123-Q128 WeakPolarHBondContact CA-O 3.23Å; S124-Q128 PolarHBondContact N-O 3.33Å; D126-Q128 VanDerWaalsContact C-N 3.29Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.38Å; D126-Q128 PolarHBondContact OD1-N 3.33Å; Q128-V150 WeakPolarHBondContact CA-O 3.47Å; Q128-L151 HydrophobicContact CG-CD1 3.98Å
129	V	94.8	Very high	91.6	Very high	2 Å²	2	38 Å²	38	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.7	165	173.5	0	0	0	0	108	T122 C123 S149 V150 M152 P156 M159 I170 I184	T122-V129 CarbonylContact O-C 3.57Å; T122-V129 WeakPolarHBondContact O-CA 3.39Å; C123-V129 HydrophobicContact CB-CG2 4.13Å; V129-S149 WeakPolarHBondContact O-CA 3.34Å; V129-V150 PolarHBondContact N-O 3.48Å; V129-V150 PolarHBondContact O-N 2.89Å; V129-M152 HydrophobicContact CG2-CG 4Å; V129-M152 HydrophobicContact CG2-SD 4.33Å; V129-P156 HydrophobicContact CG2-CG 4.5Å; V129-M159 HydrophobicContact CB-CE 4.41Å; V129-M159 HydrophobicContact CG1-CE 3.64Å; V129-M159 HydrophobicContact CG2-CE 3.94Å; V129-I170 HydrophobicContact CG2-CD1 3.82Å; V129-I184 HydrophobicContact CG1-CG2 4.34Å
130	K	94.8	Very high	91.5	Very high	33 Å²	33	40.1 Å²	40.1	14%	0.143	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.9	180	-68.2	-177.9	-178.1	-179.1	0	111.1	A103 Y121 T122 W132 P146 S148	A103-K130 WeakPolarHBondContact O-CD 3.19Å; A103-K130 VanDerWaalsContact O-CE 3.31Å; A103-K130 WeakPolarHBondContact O-CE 3.23Å; A103-K130 PolarHBondContact O-NZ 2.63Å; Y121-K130 WeakPolarHBondContact CA-O 3.35Å; T122-K130 PolarHBondContact N-O 3.09Å; T122-K130 PolarHBondContact O-N 3.24Å; K130-W132 HydrophobicContact CB-CZ2 4.01Å; K130-W132 HydrophobicContact CD-CZ2 3.85Å; K130-P146 HydrophobicContact CB-CB 4.2Å; K130-P146 HydrophobicContact CD-CB 4.22Å; K130-P146 HydrophobicContact CD-CG 4.19Å; K130-P146 HydrophobicContact CG-CB 4.35Å; K130-S148 WeakPolarHBondContact CA-O 3.33Å
131	Q	92.8	Very high	91.2	Very high	19 Å²	19	42.2 Å²	42.2	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.6	175.5	-174.7	-179.7	25.9	0	0	109.3	L119 I120 Y121 L147 S148	L119-Q131 HydrophobicContact CD2-CG 4.11Å; I120-Q131 CarbonylContact O-C 3.59Å; I120-Q131 WeakPolarHBondContact O-CA 3.42Å; Y121-Q131 HydrophobicContact CD1-CB 4.11Å; Y121-Q131 HydrophobicContact CD1-CG 4.07Å; Y121-Q131 HydrophobicContact CE1-CB 4Å; Y121-Q131 HydrophobicContact CE1-CG 3.56Å; Y121-Q131 PolarHBondContact OH-NE2 2.88Å; Y121-Q131 VanDerWaalsContact OH-NE2 3.16Å; Q131-L147 HydrophobicContact CG-CB 4.44Å; Q131-L147 HydrophobicContact CG-CD2 4.18Å; Q131-L147 WeakPolarHBondContact O-CB 3.34Å; Q131-L147 PolarHBondContact O-N 3.24Å; Q131-S148 PolarHBondContact N-O 3.33Å
132	W	93.2	Very high	90.9	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.023	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.8	-176.5	-54.5	87.4	0	0	0	109.9	V101 A103 L119 I120 T122 K130 W143 P146	V101-W132 HydrophobicContact CG1-CH2 4.29Å; V101-W132 HydrophobicContact CG1-CZ3 4.37Å; A103-W132 HydrophobicContact CB-CH2 3.99Å; A103-W132 HydrophobicContact CB-CZ2 3.48Å; A103-W132 VanDerWaalsContact CB-CZ2 3.48Å; L119-W132 CarbonylContact C-O 3.58Å; L119-W132 VanDerWaalsContact CA-O 3.29Å; L119-W132 WeakPolarHBondContact CA-O 3.38Å; I120-W132 HydrophobicContact CB-CB 4.28Å; I120-W132 PolarHBondContact N-O 3.34Å; I120-W132 PolarHBondContact O-N 3.09Å; T122-W132 PolarHBondContact OG1-NE1 3Å; K130-W132 HydrophobicContact CB-CZ2 4.01Å; K130-W132 HydrophobicContact CD-CZ2 3.85Å; W132-W143 HydrophobicContact CE3-CG 4.48Å; W132-W143 WeakPolarHBondContact CZ3-O 3.18Å; W132-P146 HydrophobicContact CD2-CB 4.38Å; W132-P146 HydrophobicContact CE3-CB 4.25Å; W132-P146 HydrophobicContact CH2-CB 3.94Å; W132-P146 HydrophobicContact CH2-CG 4.38Å; W132-P146 HydrophobicContact CZ2-CB 4.04Å; W132-P146 HydrophobicContact CZ3-CB 4.04Å
133	R	91.1	Very high	90.7	Very high	148 Å²	148	43.6 Å²	43.6	56%	0.558	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.2	173.5	-172.8	173.9	178.1	159.6	-3.3	110.2	W143	R133-W143 PolarHBondContact O-NE1 3.45Å; R133-W143 VanDerWaalsContact O-NE1 3.13Å
134	M	86.9	Confident	90.4	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.049	25%	0.254	C	S	.	.			trans	-98.3	110.9	170.2	-78.1	-85.3	127.1	0	0	108.9	F89 S117 R118 I120 W143	F89-M134 HydrophobicContact CD2-CE 4.33Å; F89-M134 HydrophobicContact CE2-CE 4.35Å; F89-M134 HydrophobicContact CE2-SD 4.23Å; F89-M134 HydrophobicContact CZ-SD 4.4Å; S117-M134 WeakPolarHBondContact O-CB 3.42Å; S117-M134 WeakPolarHBondContact O-CG 3.46Å; R118-M134 PolarHBondContact O-N 3.39Å; I120-M134 HydrophobicContact CD1-CE 3.16Å; I120-M134 HydrophobicContact CD1-CG 3.79Å; I120-M134 HydrophobicContact CD1-SD 3.7Å; I120-M134 HydrophobicContact CG1-CE 3.97Å; I120-M134 HydrophobicContact CG1-CG 3.67Å; I120-M134 HydrophobicContact CG1-SD 4.27Å; M134-W143 HydrophobicContact CE-CH2 3.9Å; M134-W143 HydrophobicContact CE-CZ2 2.93Å
135	N	86	Confident	90.1	Very high	56 Å²	56	58.6 Å²	58.6	30%	0.299	29%	0.289	S	S	.	.			trans	-127.7	104.6	169.2	-176.1	12.5	0	0	0	109.1	D137 D138 I139 C142	N135-D137 PolarHBondContact O-N 3.5Å; N135-D137 VanDerWaalsContact O-N 3.15Å; N135-D138 CarbonylContact O-C 3.26Å; N135-D138 VanDerWaalsContact O-C 3.26Å; N135-D138 PolarHBondContact O-N 2.71Å; N135-D138 VanDerWaalsContact O-N 3.09Å; N135-I139 WeakPolarHBondContact O-CA 3.29Å; N135-I139 WeakPolarHBondContact O-CG1 3.19Å; N135-I139 PolarHBondContact O-N 2.67Å; N135-C142 VanDerWaalsContact CB-SG 3.58Å
136	Y	81.8	Confident	90	Very high	81 Å²	81	57.7 Å²	57.7	32%	0.318	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.1	-173.2	-63.2	-76.8	0	0	0	114.2	N71 T74 F89 S117 I139	N71-Y136 VanDerWaalsContact CG-OH 3.28Å; N71-Y136 PolarHBondContact ND2-OH 3.31Å; N71-Y136 PolarHBondContact OD1-OH 2.81Å; N71-Y136 VanDerWaalsContact OD1-OH 3.05Å; T74-Y136 HydrophobicContact CG2-CD1 4.4Å; T74-Y136 HydrophobicContact CG2-CE1 3.81Å; T74-Y136 HydrophobicContact CG2-CE2 4.17Å; T74-Y136 WeakPolarHBondContact OG1-CE1 3.48Å; T74-Y136 PolarHBondContact OG1-OH 3.06Å; F89-Y136 HydrophobicContact CZ-CE1 4.36Å; S117-Y136 PolarHBondContact OG-OH 3.4Å; Y136-I139 HydrophobicContact CD1-CD1 4.46Å
137	D	84.1	Confident	89.8	Confident	156 Å²	156	60.9 Å²	60.9	83%	0.834	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.8	-180	-61.1	-28.4	0	0	0	112.4	N135	N135-D137 PolarHBondContact O-N 3.5Å; N135-D137 VanDerWaalsContact O-N 3.15Å
138	D	86.5	Confident	89.7	Confident	74 Å²	74	62.8 Å²	62.8	40%	0.396	32%	0.316	S	S	.	.			trans	-150.3	65.8	-178.2	-168.9	7.2	0	0	0	112.2	N135 V140 S141 C142	N135-D138 CarbonylContact O-C 3.26Å; N135-D138 VanDerWaalsContact O-C 3.26Å; N135-D138 PolarHBondContact O-N 2.71Å; N135-D138 VanDerWaalsContact O-N 3.09Å; D138-V140 VanDerWaalsContact C-N 3.3Å; D138-S141 PolarHBondContact O-OG 2.72Å; D138-S141 WeakPolarHBondContact OD1-CB 3.38Å; D138-S141 PolarHBondContact OD1-N 2.83Å; D138-S141 PolarHBondContact OD1-OG 2.92Å; D138-S141 WeakPolarHBondContact OD2-CB 3.38Å; D138-S141 PolarHBondContact OD2-OG 3.03Å; D138-C142 PolarHBondContact O-N 3.37Å; D138-C142 PolarHBondContact O-SG 3.12Å
139	I	86.3	Confident	89.6	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.062	33%	0.327	C	S	.	.	H	α-helix	trans	-66.6	-37.5	179	-57.9	178.7	0	0	0	110.4	F89 V99 N135 Y136 S141 C142 W143	F89-I139 HydrophobicContact CD1-CD1 3.48Å; F89-I139 VanDerWaalsContact CD1-CD1 3.48Å; F89-I139 HydrophobicContact CD1-CG2 4.29Å; F89-I139 HydrophobicContact CE1-CD1 3.14Å; F89-I139 HydrophobicContact CZ-CD1 4.06Å; V99-I139 HydrophobicContact CB-CG2 4.34Å; V99-I139 HydrophobicContact CG2-CB 4.14Å; V99-I139 HydrophobicContact CG2-CG2 3.77Å; N135-I139 WeakPolarHBondContact O-CA 3.29Å; N135-I139 WeakPolarHBondContact O-CG1 3.19Å; N135-I139 PolarHBondContact O-N 2.67Å; Y136-I139 HydrophobicContact CD1-CD1 4.46Å; I139-S141 VanDerWaalsContact C-N 3.35Å; I139-S141 PolarHBondContact O-N 3.18Å; I139-C142 PolarHBondContact O-N 3.31Å; I139-W143 HydrophobicContact CG2-CD2 3.98Å; I139-W143 HydrophobicContact CG2-CE3 4.45Å; I139-W143 HydrophobicContact CG2-CG 4.1Å; I139-W143 WeakPolarHBondContact O-CB 3.49Å; I139-W143 PolarHBondContact O-N 3.33Å
140	V	87.4	Confident	89.5	Confident	85 Å²	85	64.7 Å²	64.7	52%	0.515	33%	0.334	S	S	.	.	H	α-helix	trans	-59.9	-45.3	-175.3	-178.2	0	0	0	0	110.5	V99 D138 K144	V99-V140 HydrophobicContact CG2-CB 4.34Å; V99-V140 HydrophobicContact CG2-CG2 3.64Å; D138-V140 VanDerWaalsContact C-N 3.3Å; V140-K144 WeakPolarHBondContact O-CG 3.43Å
141	S	87.9	Confident	89.5	Confident	45 Å²	45	69.2 Å²	69.2	32%	0.315	36%	0.359	S	S	.	.	H	α-helix	trans	-71.3	-42.5	178.3	75.9	0	0	0	0	112.4	D138 I139 W143 K144	D138-S141 PolarHBondContact O-OG 2.72Å; D138-S141 WeakPolarHBondContact OD1-CB 3.38Å; D138-S141 PolarHBondContact OD1-N 2.83Å; D138-S141 PolarHBondContact OD1-OG 2.92Å; D138-S141 WeakPolarHBondContact OD2-CB 3.38Å; D138-S141 PolarHBondContact OD2-OG 3.03Å; I139-S141 VanDerWaalsContact C-N 3.35Å; I139-S141 PolarHBondContact O-N 3.18Å; S141-W143 PolarHBondContact O-N 3.28Å; S141-K144 WeakPolarHBondContact O-CB 3.46Å; S141-K144 PolarHBondContact O-N 2.94Å
142	C	87.9	Confident	89.4	Confident	29 Å²	29	69.1 Å²	69.1	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-26.1	-177.7	-69.9	0	0	0	0	112.9	N135 D138 I139	N135-C142 VanDerWaalsContact CB-SG 3.58Å; D138-C142 PolarHBondContact O-N 3.37Å; D138-C142 PolarHBondContact O-SG 3.12Å; I139-C142 PolarHBondContact O-N 3.31Å
143	W	91.6	Very high	89.3	Confident	2 Å²	2	79 Å²	79	1%	0.008	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.3	-177.9	-78.7	21.1	0	0	0	113.6	T79 V87 F89 V99 V101 I120 W132 R133 M134 I139 S141 Q145	T79-W143 HydrophobicContact CG2-CH2 3.81Å; T79-W143 HydrophobicContact CG2-CZ2 4.25Å; V87-W143 HydrophobicContact CG1-CH2 3.68Å; V87-W143 HydrophobicContact CG1-CZ3 3.89Å; F89-W143 HydrophobicContact CB-CE3 4.41Å; F89-W143 HydrophobicContact CB-CH2 3.76Å; F89-W143 HydrophobicContact CB-CZ3 3.62Å; F89-W143 HydrophobicContact CG-CH2 4.46Å; V99-W143 HydrophobicContact CB-CE3 4.13Å; V99-W143 HydrophobicContact CG1-CB 4.26Å; V99-W143 HydrophobicContact CG1-CE3 3.84Å; V101-W143 WeakPolarHBondContact CG1-O 3.37Å; V101-W143 HydrophobicContact CG2-CB 3.92Å; V101-W143 HydrophobicContact CG2-CE3 4.48Å; V101-W143 WeakPolarHBondContact CG2-O 3.37Å; I120-W143 HydrophobicContact CD1-CZ2 4.22Å; W132-W143 HydrophobicContact CE3-CG 4.48Å; W132-W143 WeakPolarHBondContact CZ3-O 3.18Å; R133-W143 PolarHBondContact O-NE1 3.45Å; R133-W143 VanDerWaalsContact O-NE1 3.13Å; M134-W143 HydrophobicContact CE-CH2 3.9Å; M134-W143 HydrophobicContact CE-CZ2 2.93Å; I139-W143 HydrophobicContact CG2-CD2 3.98Å; I139-W143 HydrophobicContact CG2-CE3 4.45Å; I139-W143 HydrophobicContact CG2-CG 4.1Å; I139-W143 WeakPolarHBondContact O-CB 3.49Å; I139-W143 PolarHBondContact O-N 3.33Å; S141-W143 PolarHBondContact O-N 3.28Å; W143-Q145 PolarHBondContact O-N 3.2Å
144	K	89.5	Confident	89.4	Confident	158 Å²	158	74.7 Å²	74.7	69%	0.687	39%	0.385	S	S	*	.	S	Bend	trans	-59.3	-35.7	175.2	-70.6	-178.2	-179.9	178.1	0	112.6	V140 S141	V140-K144 WeakPolarHBondContact O-CG 3.43Å; S141-K144 WeakPolarHBondContact O-CB 3.46Å; S141-K144 PolarHBondContact O-N 2.94Å
145	Q	91	Very high	89.7	Confident	156 Å²	156	76.8 Å²	76.8	73%	0.729	40%	0.399	S	S	*	.	S	Bend	trans	-137.9	143	176.9	-70.9	179.9	-13.1	0	0	109.3	W143	W143-Q145 PolarHBondContact O-N 3.2Å
146	P	92.9	Very high	90.2	Very high	46 Å²	46	74.1 Å²	74.1	30%	0.299	39%	0.385	S	S	.	.			trans	-64.6	148	172.8	29.4	-34.8	0	0	0	110.2	K130 W132 S148	K130-P146 HydrophobicContact CB-CB 4.2Å; K130-P146 HydrophobicContact CD-CB 4.22Å; K130-P146 HydrophobicContact CD-CG 4.19Å; K130-P146 HydrophobicContact CG-CB 4.35Å; W132-P146 HydrophobicContact CD2-CB 4.38Å; W132-P146 HydrophobicContact CE3-CB 4.25Å; W132-P146 HydrophobicContact CH2-CB 3.94Å; W132-P146 HydrophobicContact CH2-CG 4.38Å; W132-P146 HydrophobicContact CZ2-CB 4.04Å; W132-P146 HydrophobicContact CZ3-CB 4.04Å; P146-S148 VanDerWaalsContact C-N 3.3Å
147	L	90.7	Very high	90.8	Very high	104 Å²	104	71.2 Å²	71.2	55%	0.545	37%	0.374	S	S	.	.	S	Bend	trans	-64.2	-39.8	174.5	179.9	64.4	0	0	0	111.2	L119 Q131	L119-L147 HydrophobicContact CD2-CD2 3.87Å; Q131-L147 HydrophobicContact CG-CB 4.44Å; Q131-L147 HydrophobicContact CG-CD2 4.18Å; Q131-L147 WeakPolarHBondContact O-CB 3.34Å; Q131-L147 PolarHBondContact O-N 3.24Å
148	S	91.2	Very high	91.4	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	146.2	177.3	-179.8	0	0	0	0	109.2	K130 Q131 P146	K130-S148 WeakPolarHBondContact CA-O 3.33Å; Q131-S148 PolarHBondContact N-O 3.33Å; P146-S148 VanDerWaalsContact C-N 3.3Å
149	S	92.9	Very high	91.8	Very high	67 Å²	67	61.5 Å²	61.5	47%	0.469	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125	173.6	62.8	0	0	0	0	109.1	V129	V129-S149 WeakPolarHBondContact O-CA 3.34Å
150	V	93.6	Very high	92.2	Very high	27 Å²	27	62.8 Å²	62.8	16%	0.164	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.1	178	180	0	0	0	0	108.8	Q128 V129 M152 I184	Q128-V150 WeakPolarHBondContact CA-O 3.47Å; V129-V150 PolarHBondContact N-O 3.48Å; V129-V150 PolarHBondContact O-N 2.89Å; V150-M152 HydrophobicContact CG1-SD 3.94Å; V150-I184 HydrophobicContact CB-CG2 3.91Å; V150-I184 HydrophobicContact CG1-CG2 4.21Å; V150-I184 HydrophobicContact CG2-CB 3.94Å; V150-I184 HydrophobicContact CG2-CG2 3.75Å
151	L	94.1	Very high	92.6	Very high	127 Å²	127	59.3 Å²	59.3	67%	0.665	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.8	171.9	-179.6	65.1	0	0	0	109	Q128	Q128-L151 HydrophobicContact CG-CD1 3.98Å
152	M	91	Very high	92.9	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.084	30%	0.295	C	S	.	.			trans	-84.3	154.4	177.9	-53.8	-56.5	-75.1	0	0	110.1	G127 V129 V150 W154 Y179	G127-M152 VanDerWaalsContact O-CB 3.31Å; G127-M152 WeakPolarHBondContact O-CB 3.43Å; G127-M152 WeakPolarHBondContact O-CG 3.33Å; G127-M152 PolarHBondContact O-N 2.89Å; V129-M152 HydrophobicContact CG2-CG 4Å; V129-M152 HydrophobicContact CG2-SD 4.33Å; V150-M152 HydrophobicContact CG1-SD 3.94Å; M152-W154 VanDerWaalsContact CB-O 3.3Å; M152-W154 WeakPolarHBondContact CB-O 3.41Å; M152-W154 HydrophobicContact CE-CH2 4.01Å; M152-W154 HydrophobicContact CE-CZ2 3.58Å; M152-W154 PolarHBondContact O-N 3.4Å; M152-Y179 HydrophobicContact CE-CE1 3.75Å; M152-Y179 HydrophobicContact CE-CE2 3.89Å; M152-Y179 WeakPolarHBondContact CE-OH 3.24Å
153	K	90.3	Very high	93	Very high	214 Å²	214	57.4 Å²	57.4	93%	0.93	29%	0.293	S	S	*	.	S	Bend	trans	-70.5	-8.5	175.3	-65.5	-178.7	180	177.7	0	113.6
154	W	92.8	Very high	92.8	Very high	57 Å²	57	61.6 Å²	61.6	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	-150.2	167.5	-173.1	45.4	-99.7	0	0	0	109.3	M152 P156 I170 P173 L177 Y179	M152-W154 VanDerWaalsContact CB-O 3.3Å; M152-W154 WeakPolarHBondContact CB-O 3.41Å; M152-W154 HydrophobicContact CE-CH2 4.01Å; M152-W154 HydrophobicContact CE-CZ2 3.58Å; M152-W154 PolarHBondContact O-N 3.4Å; W154-P156 HydrophobicContact CZ3-CB 3.96Å; W154-P156 WeakPolarHBondContact O-CD 3.27Å; W154-I170 HydrophobicContact CH2-CB 4.04Å; W154-I170 HydrophobicContact CH2-CG2 3.41Å; W154-I170 VanDerWaalsContact CH2-CG2 3.41Å; W154-I170 HydrophobicContact CZ3-CG2 3.51Å; W154-P173 HydrophobicContact CB-CG 3.82Å; W154-P173 HydrophobicContact CG-CG 4.31Å; W154-L177 HydrophobicContact CH2-CD1 3.73Å; W154-L177 HydrophobicContact CZ2-CD1 3.13Å; W154-L177 HydrophobicContact CZ2-CG 4.49Å; W154-Y179 HydrophobicContact CH2-CE2 4.38Å; W154-Y179 HydrophobicContact CZ2-CE2 4.2Å; W154-Y179 WeakPolarHBondContact CZ2-OH 3.25Å
155	T	94.1	Very high	92.8	Very high	55 Å²	55	55.5 Å²	55.5	34%	0.337	30%	0.3	S	S	.	.			trans	-88.9	120.8	-175.1	57.1	0	0	0	0	112.1	L125	L125-T155 WeakPolarHBondContact O-CG2 3.34Å
156	P	95.5	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.			trans	-72.6	131.1	176.3	30.4	-35.1	0	0	0	112.2	C123 S124 V129 W154 I170	C123-P156 HydrophobicContact CB-CB 3.88Å; C123-P156 HydrophobicContact CB-CG 3.68Å; S124-P156 VanDerWaalsContact O-CD 3.31Å; S124-P156 WeakPolarHBondContact O-CD 2.95Å; S124-P156 VanDerWaalsContact O-CG 3.28Å; S124-P156 WeakPolarHBondContact O-CG 3.48Å; V129-P156 HydrophobicContact CG2-CG 4.5Å; W154-P156 HydrophobicContact CZ3-CB 3.96Å; W154-P156 WeakPolarHBondContact O-CD 3.27Å; P156-I170 HydrophobicContact CB-CG2 3.54Å
157	H	95.9	Very high	92.7	Very high	20 Å²	20	53.6 Å²	53.6	9%	0.093	29%	0.29	C	S	.	.			trans	-99.1	-25.1	-177.2	-69.4	-30.3	0	0	0	114.2	R109 G171 V198	R109-H157 WeakPolarHBondContact CB-O 3.43Å; H157-G171 PolarHBondContact N-O 2.82Å; H157-V198 WeakPolarHBondContact CB-O 3.28Å
158	C	96	Very high	92.8	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	165	176.5	62.8	0	0	0	0	110.2	I170 G171 H199 V200 A201	C158-I170 WeakPolarHBondContact O-CA 3.29Å; C158-G171 PolarHBondContact O-N 2.83Å; C158-G171 VanDerWaalsContact O-N 3.1Å; C158-G171 VanDerWaalsContact SG-CA 3.59Å; C158-H199 WeakPolarHBondContact CB-O 3.3Å; C158-V200 VanDerWaalsContact SG-C 3.55Å; C158-V200 WeakPolarHBondContact SG-CA 3.4Å; C158-A201 PolarHBondContact SG-N 3.25Å
159	M	95.4	Very high	93	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.069	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.1	178.7	178.7	-178.6	-81.9	0	0	110.8	C112 Y121 C123 V129 F168 L169 I170	C112-M159 VanDerWaalsContact SG-CG 3.59Å; C112-M159 VanDerWaalsContact SG-SD 3.62Å; Y121-M159 WeakPolarHBondContact CB-SD 3.27Å; C123-M159 HydrophobicContact CB-CE 3.66Å; C123-M159 HydrophobicContact CB-SD 4.44Å; V129-M159 HydrophobicContact CB-CE 4.41Å; V129-M159 HydrophobicContact CG1-CE 3.64Å; V129-M159 HydrophobicContact CG2-CE 3.94Å; M159-F168 HydrophobicContact CE-CD2 4.16Å; M159-F168 HydrophobicContact CE-CE2 4.18Å; M159-F168 HydrophobicContact CG-CD2 4.5Å; M159-L169 VanDerWaalsContact CA-O 3.28Å; M159-L169 WeakPolarHBondContact CA-O 3.08Å; M159-I170 HydrophobicContact CE-CD1 3.88Å; M159-I170 HydrophobicContact CE-CG1 3.93Å
160	D	95.6	Very high	93.2	Very high	40 Å²	40	43.3 Å²	43.3	21%	0.214	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.4	171.2	-166.9	31	0	0	0	111.3	F168 L169 A201 K202 F203	D160-F168 CarbonylContact O-C 3.22Å; D160-F168 VanDerWaalsContact O-CA 3.23Å; D160-F168 WeakPolarHBondContact O-CA 3.27Å; D160-F168 VanDerWaalsContact O-CB 3.27Å; D160-F168 WeakPolarHBondContact O-CB 3.33Å; D160-L169 PolarHBondContact N-O 3.46Å; D160-L169 VanDerWaalsContact N-O 3.08Å; D160-L169 PolarHBondContact O-N 3.24Å; D160-A201 WeakPolarHBondContact CB-O 3.41Å; D160-K202 HydrophobicContact CB-CB 4.49Å; D160-K202 HydrophobicContact CB-CG 4.4Å; D160-K202 WeakPolarHBondContact OD2-CA 3.29Å; D160-K202 WeakPolarHBondContact OD2-CB 3.37Å; D160-F203 HydrophobicContact CB-CD2 4.5Å; D160-F203 PolarHBondContact OD2-N 3.33Å
161	H	94.4	Very high	93.3	Very high	12 Å²	12	42 Å²	42	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.8	-178.2	-171.1	-80.3	0	0	0	110.6	C112 H113 Y121 S165	C112-H161 HydrophobicContact CB-CB 3.96Å; H113-H161 WeakPolarHBondContact O-CB 3.24Å; Y121-H161 AromaticContact CE2-CD2 3.71Å; H161-S165 PolarHBondContact CE1-O 3.21Å; H161-S165 VanDerWaalsContact CE1-O 3.23Å
162	H	94.1	Very high	93.3	Very high	10 Å²	10	36 Å²	36	5%	0.046	19%	0.187	C	C	.	.			trans	-67.8	137.3	177.2	-173.4	-70.4	0	0	0	110.9	S164 S165 E167 F203 N208	H162-S164 PolarHBondContact CE1-OG 3.31Å; H162-S164 PolarHBondContact ND1-N 3.49Å; H162-S164 PolarHBondContact O-N 2.99Å; H162-S165 WeakPolarHBondContact CB-OG 3.46Å; H162-S165 PolarHBondContact CD2-OG 3.32Å; H162-S165 PolarHBondContact CE1-OG 3.23Å; H162-S165 PolarHBondContact ND1-N 3.28Å; H162-S165 PolarHBondContact ND1-OG 2.84Å; H162-S165 VanDerWaalsContact ND1-OG 3.07Å; H162-E167 HydrophobicContact CB-CB 4.22Å; H162-E167 WeakPolarHBondContact CB-O 3.3Å; H162-E167 PolarHBondContact N-O 3.37Å; H162-F203 HydrophobicContact CB-CD2 4.13Å; H162-F203 HydrophobicContact CB-CE1 4.27Å; H162-F203 HydrophobicContact CB-CE2 3.71Å; H162-F203 HydrophobicContact CB-CZ 3.76Å; H162-F203 AromaticContact CD2-CD1 3.88Å; H162-F203 AromaticContact CD2-CE1 3.52Å; H162-F203 AromaticContact CD2-CZ 3.84Å; H162-N208 WeakPolarHBondContact CE1-CB 3.21Å; H162-N208 PolarHBondContact NE2-O 2.65Å; H162-N208 VanDerWaalsContact NE2-O 3.16Å
163	P	89.7	Confident	93.4	Very high	23 Å²	23	37.4 Å²	37.4	15%	0.149	20%	0.198	C	C	.	.	S	Bend	trans	-62.5	-39.4	-176	-25	33.2	0	0	0	115	N115	N115-P163 WeakPolarHBondContact CB-O 3.37Å; N115-P163 VanDerWaalsContact ND2-C 3.31Å; N115-P163 VanDerWaalsContact ND2-CA 3.31Å; N115-P163 WeakPolarHBondContact ND2-CA 3.44Å; N115-P163 PolarHBondContact ND2-O 3.16Å
164	S	89	Confident	93.6	Very high	91 Å²	91	32.1 Å²	32.1	64%	0.636	18%	0.177	S	C	*	.	S	Bend	trans	-109.6	-34.5	-176.9	60.3	0	0	0	0	116.6	H162 N208	H162-S164 PolarHBondContact CE1-OG 3.31Å; H162-S164 PolarHBondContact ND1-N 3.49Å; H162-S164 PolarHBondContact O-N 2.99Å; S164-N208 PolarHBondContact OG-ND2 2.82Å; S164-N208 VanDerWaalsContact OG-ND2 3.08Å
165	S	88.8	Confident	93.6	Very high	30 Å²	30	29.7 Å²	29.7	21%	0.21	17%	0.168	C	C	.	.	S	Bend	trans	-89.9	167	178.8	66.4	0	0	0	0	111.9	H161 H162 E167	H161-S165 PolarHBondContact CE1-O 3.21Å; H161-S165 VanDerWaalsContact CE1-O 3.23Å; H162-S165 WeakPolarHBondContact CB-OG 3.46Å; H162-S165 PolarHBondContact CD2-OG 3.32Å; H162-S165 PolarHBondContact CE1-OG 3.23Å; H162-S165 PolarHBondContact ND1-N 3.28Å; H162-S165 PolarHBondContact ND1-OG 2.84Å; H162-S165 VanDerWaalsContact ND1-OG 3.07Å; S165-E167 PolarHBondContact O-N 3.32Å; S165-E167 PolarHBondContact OG-OE2 3.14Å
166	N	89.5	Confident	93.7	Very high	103 Å²	103	27 Å²	27	55%	0.551	15%	0.152	S	C	*	.	S	Bend	trans	-88.6	51	174.6	-67.7	-21.3	0	0	0	110.6	S181	N166-S181 WeakPolarHBondContact O-CB 3.31Å; N166-S181 PolarHBondContact O-N 2.9Å
167	E	92.2	Very high	93.6	Very high	58 Å²	58	27.2 Å²	27.2	27%	0.271	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.9	-177.3	-61.8	163.5	162.6	0	0	109.2	H162 S165 L178 Y179 L188	H162-E167 HydrophobicContact CB-CB 4.22Å; H162-E167 WeakPolarHBondContact CB-O 3.3Å; H162-E167 PolarHBondContact N-O 3.37Å; S165-E167 PolarHBondContact O-N 3.32Å; S165-E167 PolarHBondContact OG-OE2 3.14Å; E167-L178 HydrophobicContact CB-CD1 4.03Å; E167-Y179 CarbonylContact C-O 3.48Å; E167-Y179 WeakPolarHBondContact CA-O 3.33Å; E167-Y179 WeakPolarHBondContact CB-O 3.19Å; E167-L188 HydrophobicContact CG-CD1 4.1Å
168	F	93.6	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.3	178.2	57.1	-86.2	0	0	0	111	M159 D160 I170 Y179 I184	M159-F168 HydrophobicContact CE-CD2 4.16Å; M159-F168 HydrophobicContact CE-CE2 4.18Å; M159-F168 HydrophobicContact CG-CD2 4.5Å; D160-F168 CarbonylContact O-C 3.22Å; D160-F168 VanDerWaalsContact O-CA 3.23Å; D160-F168 WeakPolarHBondContact O-CA 3.27Å; D160-F168 VanDerWaalsContact O-CB 3.27Å; D160-F168 WeakPolarHBondContact O-CB 3.33Å; F168-I170 HydrophobicContact CD2-CD1 4.03Å; F168-I170 HydrophobicContact CD2-CG1 3.92Å; F168-I170 HydrophobicContact CE2-CD1 3.58Å; F168-I170 HydrophobicContact CE2-CG1 4.01Å; F168-Y179 VanDerWaalsContact CE2-CB 3.46Å; F168-Y179 HydrophobicContact CE2-CD2 4.37Å; F168-Y179 HydrophobicContact CE2-CG 4.08Å; F168-Y179 VanDerWaalsContact CZ-CB 3.4Å; F168-Y179 HydrophobicContact CZ-CG 4.24Å; F168-Y179 PolarHBondContact N-O 2.87Å; F168-Y179 PolarHBondContact O-N 2.8Å; F168-I184 HydrophobicContact CE1-CG1 4.14Å; F168-I184 HydrophobicContact CZ-CB 4.44Å; F168-I184 HydrophobicContact CZ-CD1 4.36Å; F168-I184 HydrophobicContact CZ-CG1 3.94Å; F168-I184 HydrophobicContact CZ-CG2 3.99Å
169	L	95.3	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.7	175.7	-75	165.1	0	0	0	109.9	M159 D160 L177 L178 W191 F203 A211	M159-L169 VanDerWaalsContact CA-O 3.28Å; M159-L169 WeakPolarHBondContact CA-O 3.08Å; D160-L169 PolarHBondContact N-O 3.46Å; D160-L169 VanDerWaalsContact N-O 3.08Å; D160-L169 PolarHBondContact O-N 3.24Å; L169-L177 CarbonylContact C-O 3.56Å; L169-L177 WeakPolarHBondContact CA-O 3.38Å; L169-L178 HydrophobicContact CD2-CB 4.36Å; L169-L178 HydrophobicContact CD2-CD1 4.01Å; L169-L178 HydrophobicContact CG-CD1 4.3Å; L169-W191 HydrophobicContact CD2-CE3 4.47Å; L169-W191 HydrophobicContact CD2-CZ3 3.7Å; L169-F203 HydrophobicContact CB-CE2 4Å; L169-F203 HydrophobicContact CB-CZ 4.36Å; L169-F203 HydrophobicContact CD1-CD1 3.79Å; L169-F203 HydrophobicContact CD1-CD2 3.67Å; L169-F203 HydrophobicContact CD1-CE1 3.61Å; L169-F203 HydrophobicContact CD1-CE2 3.5Å; L169-F203 HydrophobicContact CD1-CG 3.84Å; L169-F203 HydrophobicContact CD1-CZ 3.5Å; L169-F203 VanDerWaalsContact CD1-CZ 3.5Å; L169-F203 HydrophobicContact CD2-CZ 4.2Å; L169-F203 HydrophobicContact CG-CD2 4.11Å; L169-F203 HydrophobicContact CG-CE1 3.91Å; L169-F203 HydrophobicContact CG-CE2 3.43Å; L169-F203 VanDerWaalsContact CG-CE2 3.43Å; L169-F203 HydrophobicContact CG-CZ 3.34Å; L169-A211 HydrophobicContact CD1-CB 3.52Å
170	I	96	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133	167.4	-61.1	174.3	0	0	0	108.9	V129 W154 P156 C158 M159 F168 L177 Y179	V129-I170 HydrophobicContact CG2-CD1 3.82Å; W154-I170 HydrophobicContact CH2-CB 4.04Å; W154-I170 HydrophobicContact CH2-CG2 3.41Å; W154-I170 VanDerWaalsContact CH2-CG2 3.41Å; W154-I170 HydrophobicContact CZ3-CG2 3.51Å; P156-I170 HydrophobicContact CB-CG2 3.54Å; C158-I170 WeakPolarHBondContact O-CA 3.29Å; M159-I170 HydrophobicContact CE-CD1 3.88Å; M159-I170 HydrophobicContact CE-CG1 3.93Å; F168-I170 HydrophobicContact CD2-CD1 4.03Å; F168-I170 HydrophobicContact CD2-CG1 3.92Å; F168-I170 HydrophobicContact CE2-CD1 3.58Å; F168-I170 HydrophobicContact CE2-CG1 4.01Å; I170-L177 PolarHBondContact N-O 3.15Å; I170-L177 PolarHBondContact O-N 3.01Å; I170-Y179 HydrophobicContact CB-CD2 4.43Å; I170-Y179 HydrophobicContact CB-CE2 4.47Å; I170-Y179 HydrophobicContact CD1-CD2 3.79Å; I170-Y179 HydrophobicContact CD1-CE2 4.03Å; I170-Y179 HydrophobicContact CD1-CG 4.5Å; I170-Y179 HydrophobicContact CG1-CD2 4.19Å
171	G	95.7	Very high	92.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.9	167.4	0	0	0	0	0	110.3	H157 C158 V198	H157-G171 PolarHBondContact N-O 2.82Å; C158-G171 PolarHBondContact O-N 2.83Å; C158-G171 VanDerWaalsContact O-N 3.1Å; C158-G171 VanDerWaalsContact SG-CA 3.59Å; G171-V198 CarbonylContact C-O 3.6Å
172	G	93.6	Very high	92.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.183	C	C	.	.			trans	-105.7	-175	178.3	0	0	0	0	0	113.2	E174 S175 V198	G172-E174 VanDerWaalsContact C-N 3.32Å; G172-E174 PolarHBondContact O-N 3.02Å; G172-S175 WeakPolarHBondContact CA-O 3.14Å; G172-S175 PolarHBondContact N-O 3.34Å; G172-V198 PolarHBondContact O-N 3.46Å
173	P	94.1	Very high	92	Very high	48 Å²	48	36.1 Å²	36.1	31%	0.312	20%	0.204	S	C	.	.	S	Bend	trans	-74.2	-17.9	-179	30.7	-37	0	0	0	114.4	W154 P197	W154-P173 HydrophobicContact CB-CG 3.82Å; W154-P173 HydrophobicContact CG-CG 4.31Å; P173-P197 VanDerWaalsContact C-CA 3.49Å; P173-P197 WeakPolarHBondContact O-CA 3.33Å; P173-P197 WeakPolarHBondContact O-CB 3.36Å; P173-P197 WeakPolarHBondContact O-CD 3.18Å; P173-P197 VanDerWaalsContact O-N 3.16Å
174	E	93.5	Very high	91.7	Very high	102 Å²	102	35.6 Å²	35.6	48%	0.477	20%	0.2	S	C	.	.	S	Bend	trans	-132.6	-17.2	-178	-64.2	179.5	-177.7	0	0	113.3	G172 S192 Q195 E196	G172-E174 VanDerWaalsContact C-N 3.32Å; G172-E174 PolarHBondContact O-N 3.02Å; E174-S192 WeakPolarHBondContact O-CB 3.4Å; E174-Q195 HydrophobicContact CB-CB 4.31Å; E174-Q195 HydrophobicContact CG-CB 4.47Å; E174-Q195 CarbonylContact O-C 3.45Å; E174-Q195 WeakPolarHBondContact O-CA 3.29Å; E174-E196 CarbonylContact C-O 3.57Å; E174-E196 PolarHBondContact O-N 2.81Å
175	S	93.9	Very high	91.5	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.042	19%	0.194	C	C	.	.			trans	-155	165.2	-169.7	62.3	0	0	0	0	112.6	G172 E190 W191	G172-S175 WeakPolarHBondContact CA-O 3.14Å; G172-S175 PolarHBondContact N-O 3.34Å; S175-E190 WeakPolarHBondContact CB-OE1 3.43Å; S175-E190 WeakPolarHBondContact OG-CG 3.34Å; S175-E190 PolarHBondContact OG-OE1 2.97Å; S175-W191 WeakPolarHBondContact CA-O 3.44Å; S175-W191 WeakPolarHBondContact CB-O 3.46Å
176	C	95.3	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.2	167.5	-169.4	0	0	0	0	108.9	W191 V198 A213 M221 I223	C176-W191 PolarHBondContact N-O 2.85Å; C176-W191 PolarHBondContact O-N 2.92Å; C176-V198 HydrophobicContact CB-CG1 4.38Å; C176-V198 HydrophobicContact CB-CG2 4.15Å; C176-A213 HydrophobicContact CB-CB 4.46Å; C176-M221 HydrophobicContact CB-CE 4.25Å; C176-I223 HydrophobicContact CB-CD1 4.06Å
177	L	95	Very high	91.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.3	-170.6	-69.8	161.1	0	0	0	111	W154 L169 I170 Y179 P187 R189 E190	W154-L177 HydrophobicContact CH2-CD1 3.73Å; W154-L177 HydrophobicContact CZ2-CD1 3.13Å; W154-L177 HydrophobicContact CZ2-CG 4.49Å; L169-L177 CarbonylContact C-O 3.56Å; L169-L177 WeakPolarHBondContact CA-O 3.38Å; I170-L177 PolarHBondContact N-O 3.15Å; I170-L177 PolarHBondContact O-N 3.01Å; L177-Y179 HydrophobicContact CB-CD2 4.18Å; L177-Y179 HydrophobicContact CB-CE2 3.56Å; L177-Y179 HydrophobicContact CD1-CE2 4.3Å; L177-Y179 HydrophobicContact CG-CE2 4.49Å; L177-P187 HydrophobicContact CB-CB 4.47Å; L177-P187 HydrophobicContact CD2-CB 3.8Å; L177-P187 HydrophobicContact CD2-CG 4.14Å; L177-R189 WeakPolarHBondContact CA-O 3.39Å; L177-E190 HydrophobicContact CD2-CB 3.43Å; L177-E190 VanDerWaalsContact CD2-CB 3.43Å; L177-E190 HydrophobicContact CD2-CG 3.45Å; L177-E190 VanDerWaalsContact CD2-CG 3.45Å; L177-E190 HydrophobicContact CG-CG 4.33Å
178	L	95	Very high	91.7	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.8	173	-174	69.4	0	0	0	109.9	E167 L169 P187 L188 R189 W191 F203	E167-L178 HydrophobicContact CB-CD1 4.03Å; L169-L178 HydrophobicContact CD2-CB 4.36Å; L169-L178 HydrophobicContact CD2-CD1 4.01Å; L169-L178 HydrophobicContact CG-CD1 4.3Å; L178-P187 CarbonylContact O-C 3.04Å; L178-P187 WeakPolarHBondContact O-CA 3.47Å; L178-L188 HydrophobicContact CB-CB 4.44Å; L178-L188 HydrophobicContact CD2-CB 4.25Å; L178-L188 HydrophobicContact CD2-CD1 4.18Å; L178-L188 HydrophobicContact CG-CB 4.36Å; L178-L188 HydrophobicContact CG-CD1 4.28Å; L178-L188 PolarHBondContact O-N 3.08Å; L178-R189 HydrophobicContact CB-CB 4.21Å; L178-R189 PolarHBondContact N-O 2.68Å; L178-W191 HydrophobicContact CB-CH2 3.82Å; L178-W191 HydrophobicContact CB-CZ3 3.78Å; L178-W191 HydrophobicContact CD2-CH2 4.17Å; L178-W191 HydrophobicContact CG-CH2 4.48Å; L178-F203 HydrophobicContact CD1-CE1 4.34Å; L178-F203 HydrophobicContact CD1-CZ 3.65Å
179	Y	93.2	Very high	91.7	Very high	6 Å²	6	41 Å²	41	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.3	177.4	-76.6	-88.2	0	0	0	111.5	M152 W154 E167 F168 I170 L177 I184 P187	M152-Y179 HydrophobicContact CE-CE1 3.75Å; M152-Y179 HydrophobicContact CE-CE2 3.89Å; M152-Y179 WeakPolarHBondContact CE-OH 3.24Å; W154-Y179 HydrophobicContact CH2-CE2 4.38Å; W154-Y179 HydrophobicContact CZ2-CE2 4.2Å; W154-Y179 WeakPolarHBondContact CZ2-OH 3.25Å; E167-Y179 CarbonylContact C-O 3.48Å; E167-Y179 WeakPolarHBondContact CA-O 3.33Å; E167-Y179 WeakPolarHBondContact CB-O 3.19Å; F168-Y179 VanDerWaalsContact CE2-CB 3.46Å; F168-Y179 HydrophobicContact CE2-CD2 4.37Å; F168-Y179 HydrophobicContact CE2-CG 4.08Å; F168-Y179 VanDerWaalsContact CZ-CB 3.4Å; F168-Y179 HydrophobicContact CZ-CG 4.24Å; F168-Y179 PolarHBondContact N-O 2.87Å; F168-Y179 PolarHBondContact O-N 2.8Å; I170-Y179 HydrophobicContact CB-CD2 4.43Å; I170-Y179 HydrophobicContact CB-CE2 4.47Å; I170-Y179 HydrophobicContact CD1-CD2 3.79Å; I170-Y179 HydrophobicContact CD1-CE2 4.03Å; I170-Y179 HydrophobicContact CD1-CG 4.5Å; I170-Y179 HydrophobicContact CG1-CD2 4.19Å; L177-Y179 HydrophobicContact CB-CD2 4.18Å; L177-Y179 HydrophobicContact CB-CE2 3.56Å; L177-Y179 HydrophobicContact CD1-CE2 4.3Å; L177-Y179 HydrophobicContact CG-CE2 4.49Å; Y179-I184 WeakPolarHBondContact CD1-O 3.36Å; Y179-I184 WeakPolarHBondContact CE1-O 3.46Å; Y179-P187 HydrophobicContact CD1-CB 4.47Å; Y179-P187 HydrophobicContact CE1-CB 3.9Å; Y179-P187 HydrophobicContact CE1-CG 4.47Å; Y179-P187 HydrophobicContact CE2-CB 4.18Å
180	S	91.2	Very high	91.7	Very high	23 Å²	23	46.1 Å²	46.1	16%	0.161	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.7	168.9	-173	0	0	0	0	110.3	V182 K183 I184	S180-V182 PolarHBondContact O-N 2.89Å; S180-V182 PolarHBondContact OG-N 2.89Å; S180-K183 CarbonylContact O-C 3.52Å; S180-K183 VanDerWaalsContact O-C 3.22Å; S180-K183 PolarHBondContact O-N 2.78Å; S180-K183 VanDerWaalsContact O-O 3.08Å; S180-I184 WeakPolarHBondContact O-CG1 3.41Å
181	S	86.1	Confident	91.6	Very high	20 Å²	20	46.1 Å²	46.1	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-60.6	-25.6	168.7	169.2	0	0	0	0	113.4	Y121 N166	Y121-S181 WeakPolarHBondContact OH-CB 3.17Å; Y121-S181 PolarHBondContact OH-OG 3.14Å; N166-S181 WeakPolarHBondContact O-CB 3.31Å; N166-S181 PolarHBondContact O-N 2.9Å
182	V	85.8	Confident	91.4	Very high	129 Å²	129	48.5 Å²	48.5	78%	0.782	26%	0.259	S	S	*	.	S	Bend	trans	-78.5	-36.3	-178.8	-178	0	0	0	0	110.7	S180	S180-V182 PolarHBondContact O-N 2.89Å; S180-V182 PolarHBondContact OG-N 2.89Å
183	K	85.2	Confident	91.2	Very high	111 Å²	111	52 Å²	52	48%	0.483	27%	0.272	S	S	.	.			trans	-136.5	94.3	-177	-169.5	175.3	-176.8	-177.1	0	109.5	S180 D185 V186	S180-K183 CarbonylContact O-C 3.52Å; S180-K183 VanDerWaalsContact O-C 3.22Å; S180-K183 PolarHBondContact O-N 2.78Å; S180-K183 VanDerWaalsContact O-O 3.08Å; K183-D185 WeakPolarHBondContact CE-OD1 3.36Å; K183-D185 VanDerWaalsContact CE-OD2 3.28Å; K183-D185 WeakPolarHBondContact CE-OD2 3.17Å; K183-D185 WeakPolarHBondContact CG-OD1 3.08Å; K183-V186 HydrophobicContact CD-CB 4.47Å
184	I	84.2	Confident	90.9	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.056	29%	0.289	C	S	.	.			trans	-88.4	-18.1	-172.8	-60.8	174.6	0	0	0	112	Y121 V129 V150 F168 Y179 S180	Y121-I184 HydrophobicContact CE1-CD1 4.31Å; V129-I184 HydrophobicContact CG1-CG2 4.34Å; V150-I184 HydrophobicContact CB-CG2 3.91Å; V150-I184 HydrophobicContact CG1-CG2 4.21Å; V150-I184 HydrophobicContact CG2-CB 3.94Å; V150-I184 HydrophobicContact CG2-CG2 3.75Å; F168-I184 HydrophobicContact CE1-CG1 4.14Å; F168-I184 HydrophobicContact CZ-CB 4.44Å; F168-I184 HydrophobicContact CZ-CD1 4.36Å; F168-I184 HydrophobicContact CZ-CG1 3.94Å; F168-I184 HydrophobicContact CZ-CG2 3.99Å; Y179-I184 WeakPolarHBondContact CD1-O 3.36Å; Y179-I184 WeakPolarHBondContact CE1-O 3.46Å; S180-I184 WeakPolarHBondContact O-CG1 3.41Å
185	D	83.7	Confident	90.6	Very high	98 Å²	98	54.5 Å²	54.5	52%	0.524	30%	0.297	S	S	.	.	S	Bend	trans	-74.3	-24.2	-178.1	59.6	-44.4	0	0	0	114	K183	K183-D185 WeakPolarHBondContact CE-OD1 3.36Å; K183-D185 VanDerWaalsContact CE-OD2 3.28Å; K183-D185 WeakPolarHBondContact CE-OD2 3.17Å; K183-D185 WeakPolarHBondContact CG-OD1 3.08Å
186	V	90.4	Very high	90.5	Very high	67 Å²	67	56.1 Å²	56.1	41%	0.406	30%	0.304	S	S	.	.	S	Bend	trans	-123.6	126.3	-177.5	180	0	0	0	0	110.4	K183	K183-V186 HydrophobicContact CD-CB 4.47Å
187	P	92.2	Very high	90.5	Very high	50 Å²	50	57.7 Å²	57.7	33%	0.325	32%	0.315	S	S	.	.			trans	-68.9	142.3	175.2	28.4	-33	0	0	0	111	L177 L178 Y179	L177-P187 HydrophobicContact CB-CB 4.47Å; L177-P187 HydrophobicContact CD2-CB 3.8Å; L177-P187 HydrophobicContact CD2-CG 4.14Å; L178-P187 CarbonylContact O-C 3.04Å; L178-P187 WeakPolarHBondContact O-CA 3.47Å; Y179-P187 HydrophobicContact CD1-CB 4.47Å; Y179-P187 HydrophobicContact CE1-CB 3.9Å; Y179-P187 HydrophobicContact CE1-CG 4.47Å; Y179-P187 HydrophobicContact CE2-CB 4.18Å
188	L	93.1	Very high	90.6	Very high	90 Å²	90	57.6 Å²	57.6	47%	0.471	31%	0.314	S	S	.	.	S	Bend	trans	-75.3	-42	172.6	-64.6	178.1	0	0	0	111.7	E167 L178	E167-L188 HydrophobicContact CG-CD1 4.1Å; L178-L188 HydrophobicContact CB-CB 4.44Å; L178-L188 HydrophobicContact CD2-CB 4.25Å; L178-L188 HydrophobicContact CD2-CD1 4.18Å; L178-L188 HydrophobicContact CG-CB 4.36Å; L178-L188 HydrophobicContact CG-CD1 4.28Å; L178-L188 PolarHBondContact O-N 3.08Å
189	R	93.8	Very high	90.7	Very high	92 Å²	92	58.2 Å²	58.2	35%	0.347	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155	-179.1	-75.7	-164.7	166.5	106.7	3.9	111	L177 L178 W191 C225 D228	L177-R189 WeakPolarHBondContact CA-O 3.39Å; L178-R189 HydrophobicContact CB-CB 4.21Å; L178-R189 PolarHBondContact N-O 2.68Å; R189-W191 HydrophobicContact CB-CH2 3.78Å; R189-W191 HydrophobicContact CB-CZ2 3.71Å; R189-W191 HydrophobicContact CB-CZ3 4.3Å; R189-W191 HydrophobicContact CG-CZ2 4.26Å; R189-C225 WeakPolarHBondContact CD-O 3.43Å; R189-C225 VanDerWaalsContact CZ-O 3.28Å; R189-C225 PolarHBondContact NH1-O 2.51Å; R189-D228 IonicContact CZ-OD1 3.97Å; R189-D228 IonicContact NE-OD1 3.15Å; R189-D228 PolarHBondContact NE-OD1 3.01Å; R189-D228 VanDerWaalsContact NE-OD1 3.15Å; R189-D228 IonicContact NH2-OD1 3.92Å
190	E	94	Very high	90.9	Very high	106 Å²	106	59 Å²	59	50%	0.495	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.7	177.9	-177.8	166.1	-171	0	0	110	S175 L177	S175-E190 WeakPolarHBondContact CB-OE1 3.43Å; S175-E190 WeakPolarHBondContact OG-CG 3.34Å; S175-E190 PolarHBondContact OG-OE1 2.97Å; L177-E190 HydrophobicContact CD2-CB 3.43Å; L177-E190 VanDerWaalsContact CD2-CB 3.43Å; L177-E190 HydrophobicContact CD2-CG 3.45Å; L177-E190 VanDerWaalsContact CD2-CG 3.45Å; L177-E190 HydrophobicContact CG-CG 4.33Å
191	W	95	Very high	91.1	Very high	1 Å²	1	58 Å²	58	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.2	173.9	-56.9	-79.3	0	0	0	110	L169 S175 C176 L178 R189 M221 I223 C225 Q227	L169-W191 HydrophobicContact CD2-CE3 4.47Å; L169-W191 HydrophobicContact CD2-CZ3 3.7Å; S175-W191 WeakPolarHBondContact CA-O 3.44Å; S175-W191 WeakPolarHBondContact CB-O 3.46Å; C176-W191 PolarHBondContact N-O 2.85Å; C176-W191 PolarHBondContact O-N 2.92Å; L178-W191 HydrophobicContact CB-CH2 3.82Å; L178-W191 HydrophobicContact CB-CZ3 3.78Å; L178-W191 HydrophobicContact CD2-CH2 4.17Å; L178-W191 HydrophobicContact CG-CH2 4.48Å; R189-W191 HydrophobicContact CB-CH2 3.78Å; R189-W191 HydrophobicContact CB-CZ2 3.71Å; R189-W191 HydrophobicContact CB-CZ3 4.3Å; R189-W191 HydrophobicContact CG-CZ2 4.26Å; W191-M221 HydrophobicContact CB-CE 4.12Å; W191-I223 HydrophobicContact CB-CD1 4.23Å; W191-I223 HydrophobicContact CB-CG2 4.46Å; W191-I223 HydrophobicContact CD2-CD1 4.43Å; W191-I223 HydrophobicContact CD2-CG2 3.36Å; W191-I223 VanDerWaalsContact CE2-CG2 3.43Å; W191-I223 HydrophobicContact CE3-CD1 4.27Å; W191-I223 HydrophobicContact CE3-CG2 3.8Å; W191-I223 HydrophobicContact CG-CD1 4.44Å; W191-I223 HydrophobicContact CG-CG2 3.67Å; W191-I223 HydrophobicContact CH2-CG2 4.28Å; W191-I223 HydrophobicContact CZ2-CG2 3.93Å; W191-I223 HydrophobicContact CZ3-CG2 4.23Å; W191-C225 HydrophobicContact CH2-CB 4.38Å; W191-C225 HydrophobicContact CZ2-CB 4.47Å; W191-Q227 PolarHBondContact NE1-O 3.45Å
192	S	91.6	Very high	91.7	Very high	50 Å²	50	59.1 Å²	59.1	35%	0.35	32%	0.318	S	S	.	.			trans	-133.1	145.5	174.5	64.6	0	0	0	0	110.4	E174	E174-S192 WeakPolarHBondContact O-CB 3.4Å
193	W	89.6	Confident	92.2	Very high	73 Å²	73	53.2 Å²	53.2	28%	0.277	28%	0.282	S	S	.	.	S	Bend	trans	-128.6	91.7	170.8	-166.8	-57.3	0	0	0	108.7	M221 P230 K233 Y442	W193-M221 HydrophobicContact CB-SD 3.84Å; W193-P230 HydrophobicContact CD2-CG 4.46Å; W193-P230 HydrophobicContact CE3-CB 4.11Å; W193-P230 HydrophobicContact CE3-CG 3.43Å; W193-P230 VanDerWaalsContact CE3-CG 3.43Å; W193-P230 HydrophobicContact CZ3-CG 3.96Å; W193-K233 HydrophobicContact CB-CD 4.07Å; W193-K233 HydrophobicContact CD2-CB 3.98Å; W193-K233 HydrophobicContact CD2-CD 3.84Å; W193-K233 HydrophobicContact CE3-CB 4.02Å; W193-K233 HydrophobicContact CG-CB 4.45Å; W193-K233 HydrophobicContact CG-CD 3.46Å; W193-K233 VanDerWaalsContact CG-CD 3.46Å; W193-K233 HydrophobicContact CZ3-CB 4.45Å; W193-Y442 HydrophobicContact CZ2-CD1 4.28Å; W193-Y442 AromaticContact CZ2-CG 3.97Å; W193-Y442 HydrophobicContact CZ2-CG 3.97Å
194	G	87	Confident	92.7	Very high	65 Å²	65	48 Å²	48	67%	0.67	26%	0.259	S	S	*	.	S	Bend	trans	77.2	22.6	-179.9	0	0	0	0	0	115.1	E196	G194-E196 PolarHBondContact O-N 3.46Å
195	Q	86.6	Confident	93.1	Very high	137 Å²	137	50 Å²	50	64%	0.64	27%	0.273	S	S	*	.	S	Bend	trans	56.3	47.1	176.3	-63.2	177.5	-23.8	0	0	113.6	E174	E174-Q195 HydrophobicContact CB-CB 4.31Å; E174-Q195 HydrophobicContact CG-CB 4.47Å; E174-Q195 CarbonylContact O-C 3.45Å; E174-Q195 WeakPolarHBondContact O-CA 3.29Å
196	E	92.8	Very high	93.6	Very high	40 Å²	40	49.1 Å²	49.1	19%	0.187	27%	0.271	C	S	.	.			trans	-100.5	141.8	-179.2	-67.1	168.2	177.5	0	0	111.5	E174 G194 V198 T215 D217 K233	E174-E196 CarbonylContact C-O 3.57Å; E174-E196 PolarHBondContact O-N 2.81Å; G194-E196 PolarHBondContact O-N 3.46Å; E196-V198 PolarHBondContact O-N 2.71Å; E196-T215 HydrophobicContact CB-CG2 4.17Å; E196-D217 HydrophobicContact CG-CB 4.2Å; E196-D217 WeakPolarHBondContact OE1-CB 3.09Å; E196-D217 WeakPolarHBondContact OE2-CB 3.41Å; E196-D217 VanDerWaalsContact OE2-OD2 3.13Å; E196-K233 IonicContact OE1-NZ 3.8Å; E196-K233 PolarHBondContact OE1-NZ 3.43Å; E196-K233 IonicContact OE2-NZ 2.82Å; E196-K233 PolarHBondContact OE2-NZ 3.18Å
197	P	95.9	Very high	93.7	Very high	34 Å²	34	49.4 Å²	49.4	22%	0.221	27%	0.268	C	S	.	.			trans	-66.8	128.5	179.8	23	-32.3	0	0	0	111.8	P173 T215 K216	P173-P197 VanDerWaalsContact C-CA 3.49Å; P173-P197 WeakPolarHBondContact O-CA 3.33Å; P173-P197 WeakPolarHBondContact O-CB 3.36Å; P173-P197 WeakPolarHBondContact O-CD 3.18Å; P173-P197 VanDerWaalsContact O-N 3.16Å; P197-T215 CarbonylContact O-C 3.58Å; P197-T215 VanDerWaalsContact O-CA 3.23Å; P197-T215 WeakPolarHBondContact O-CA 3.28Å; P197-K216 HydrophobicContact CB-CD 4Å; P197-K216 HydrophobicContact CB-CG 4.15Å; P197-K216 HydrophobicContact CG-CB 3.83Å; P197-K216 HydrophobicContact CG-CD 3.57Å; P197-K216 HydrophobicContact CG-CG 3.71Å; P197-K216 PolarHBondContact O-N 3.36Å
198	V	96.5	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.5	177.9	177.9	0	0	0	0	108.7	H157 G171 G172 C176 E196 A201 A213 L214 T215	H157-V198 WeakPolarHBondContact CB-O 3.28Å; G171-V198 CarbonylContact C-O 3.6Å; G172-V198 PolarHBondContact O-N 3.46Å; C176-V198 HydrophobicContact CB-CG1 4.38Å; C176-V198 HydrophobicContact CB-CG2 4.15Å; E196-V198 PolarHBondContact O-N 2.71Å; V198-A201 HydrophobicContact CG1-CB 4.12Å; V198-A213 HydrophobicContact CG1-CB 3.81Å; V198-L214 CarbonylContact C-O 3.5Å; V198-L214 WeakPolarHBondContact CA-O 3.44Å; V198-T215 HydrophobicContact CG2-CG2 4.05Å
199	H	96.1	Very high	93.8	Very high	18 Å²	18	46.9 Å²	46.9	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-17.6	-178.4	62.6	-81.5	0	0	0	114.4	C158 L214 T215 L240	C158-H199 WeakPolarHBondContact CB-O 3.3Å; H199-L214 PolarHBondContact N-O 2.85Å; H199-L214 PolarHBondContact ND1-O 2.8Å; H199-T215 PolarHBondContact CE1-O 2.86Å; H199-T215 VanDerWaalsContact CE1-O 3.27Å; H199-L240 PolarHBondContact NE2-O 3.06Å
200	V	97.2	Very high	93.9	Very high	22 Å²	22	43.9 Å²	43.9	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.1	171.4	-179.7	0	0	0	0	109	C158 K202 A213 L214 N241 F243	C158-V200 VanDerWaalsContact SG-C 3.55Å; C158-V200 WeakPolarHBondContact SG-CA 3.4Å; V200-K202 HydrophobicContact CG1-CG 4.36Å; V200-A213 CarbonylContact O-C 3.58Å; V200-A213 WeakPolarHBondContact O-CA 3.35Å; V200-L214 HydrophobicContact CB-CB 4.25Å; V200-L214 HydrophobicContact CB-CD1 4.14Å; V200-L214 HydrophobicContact CB-CG 4.33Å; V200-L214 PolarHBondContact O-N 3.22Å; V200-N241 WeakPolarHBondContact CG2-O 3.36Å; V200-F243 HydrophobicContact CB-CE1 4.47Å; V200-F243 HydrophobicContact CG1-CD1 3.8Å; V200-F243 HydrophobicContact CG1-CE1 3.71Å
201	A	97	Very high	94	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.5	172.6	0	0	0	0	0	109.1	C158 D160 V198 C212 A213	C158-A201 PolarHBondContact SG-N 3.25Å; D160-A201 WeakPolarHBondContact CB-O 3.41Å; V198-A201 HydrophobicContact CG1-CB 4.12Å; A201-C212 WeakPolarHBondContact CA-O 3.29Å; A201-A213 HydrophobicContact CB-CB 4.22Å
202	K	96.8	Very high	94.1	Very high	43 Å²	43	38.8 Å²	38.8	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.7	-179.6	-59.6	-178.7	-179.6	170.7	0	112.2	D160 V200 A211 C212 F243 W245	D160-K202 HydrophobicContact CB-CB 4.49Å; D160-K202 HydrophobicContact CB-CG 4.4Å; D160-K202 WeakPolarHBondContact OD2-CA 3.29Å; D160-K202 WeakPolarHBondContact OD2-CB 3.37Å; V200-K202 HydrophobicContact CG1-CG 4.36Å; K202-A211 WeakPolarHBondContact O-CA 3.21Å; K202-C212 PolarHBondContact N-O 3.09Å; K202-C212 PolarHBondContact O-N 2.99Å; K202-C212 VanDerWaalsContact O-N 3.08Å; K202-F243 HydrophobicContact CB-CE1 4.35Å; K202-F243 HydrophobicContact CB-CE2 4.09Å; K202-F243 HydrophobicContact CB-CZ 3.61Å; K202-F243 HydrophobicContact CD-CZ 4.41Å; K202-F243 HydrophobicContact CG-CE1 4.33Å; K202-F243 HydrophobicContact CG-CZ 4.06Å; K202-F243 PolarHBondContact NZ-O 3.41Å; K202-W245 PolarHBondContact O-NE1 3.14Å; K202-W245 VanDerWaalsContact O-NE1 3.12Å
203	F	96.6	Very high	94.3	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.8	171.4	-71.8	-77.7	0	0	0	111.4	D160 H162 L169 L178 A211 W245	D160-F203 HydrophobicContact CB-CD2 4.5Å; D160-F203 PolarHBondContact OD2-N 3.33Å; H162-F203 HydrophobicContact CB-CD2 4.13Å; H162-F203 HydrophobicContact CB-CE1 4.27Å; H162-F203 HydrophobicContact CB-CE2 3.71Å; H162-F203 HydrophobicContact CB-CZ 3.76Å; H162-F203 AromaticContact CD2-CD1 3.88Å; H162-F203 AromaticContact CD2-CE1 3.52Å; H162-F203 AromaticContact CD2-CZ 3.84Å; L169-F203 HydrophobicContact CB-CE2 4Å; L169-F203 HydrophobicContact CB-CZ 4.36Å; L169-F203 HydrophobicContact CD1-CD1 3.79Å; L169-F203 HydrophobicContact CD1-CD2 3.67Å; L169-F203 HydrophobicContact CD1-CE1 3.61Å; L169-F203 HydrophobicContact CD1-CE2 3.5Å; L169-F203 HydrophobicContact CD1-CG 3.84Å; L169-F203 HydrophobicContact CD1-CZ 3.5Å; L169-F203 VanDerWaalsContact CD1-CZ 3.5Å; L169-F203 HydrophobicContact CD2-CZ 4.2Å; L169-F203 HydrophobicContact CG-CD2 4.11Å; L169-F203 HydrophobicContact CG-CE1 3.91Å; L169-F203 HydrophobicContact CG-CE2 3.43Å; L169-F203 VanDerWaalsContact CG-CE2 3.43Å; L169-F203 HydrophobicContact CG-CZ 3.34Å; L178-F203 HydrophobicContact CD1-CE1 4.34Å; L178-F203 HydrophobicContact CD1-CZ 3.65Å; F203-A211 HydrophobicContact CD1-CB 4.16Å; F203-W245 VanDerWaalsContact C-NE1 3.33Å; F203-W245 PolarHBondContact O-NE1 2.97Å; F203-W245 VanDerWaalsContact O-NE1 3.16Å
204	N	96	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.			trans	-69.3	127.7	165.9	-173.5	-38.5	0	0	0	109.3	V206 E207 N208 I210 W245 P250	N204-V206 PolarHBondContact O-N 3.35Å; N204-V206 PolarHBondContact OD1-N 2.8Å; N204-E207 HydrophobicContact CB-CB 4.48Å; N204-E207 WeakPolarHBondContact CB-O 3.43Å; N204-E207 PolarHBondContact OD1-N 2.93Å; N204-N208 WeakPolarHBondContact O-CA 3.27Å; N204-N208 PolarHBondContact O-OD1 2.81Å; N204-I210 HydrophobicContact CB-CB 4.24Å; N204-I210 VanDerWaalsContact CB-O 3.28Å; N204-I210 WeakPolarHBondContact CB-O 3.39Å; N204-I210 PolarHBondContact N-O 2.93Å; N204-W245 HydrophobicContact CB-CD2 4.19Å; N204-W245 HydrophobicContact CB-CE3 4.49Å; N204-W245 HydrophobicContact CB-CZ2 4.41Å; N204-P250 PolarHBondContact ND2-O 2.77Å
205	P	92.7	Very high	95.1	Very high	55 Å²	55	30.1 Å²	30.1	36%	0.357	16%	0.159	S	C	.	.	S	Bend	trans	-70.5	-16.5	-176.1	28.1	-36.2	0	0	0	114.5	N208 W245 P247	P205-N208 PolarHBondContact O-OD1 2.88Å; P205-W245 VanDerWaalsContact CD-CB 3.42Å; P205-W245 HydrophobicContact CG-CB 4.06Å; P205-P247 HydrophobicContact CG-CB 4.44Å
206	V	93.8	Very high	95.4	Very high	78 Å²	78	28.4 Å²	28.4	47%	0.473	15%	0.149	S	C	.	.	S	Bend	trans	-115.2	-51.4	-176.4	171.5	0	0	0	0	110.9	N204 N208 P247 P250	N204-V206 PolarHBondContact O-N 3.35Å; N204-V206 PolarHBondContact OD1-N 2.8Å; V206-N208 VanDerWaalsContact C-N 3.35Å; V206-N208 PolarHBondContact O-N 3.18Å; V206-N208 PolarHBondContact O-OD1 2.79Å; V206-P247 WeakPolarHBondContact CG2-O 3.38Å; V206-P250 HydrophobicContact CB-CB 3.99Å; V206-P250 HydrophobicContact CB-CG 4.37Å; V206-P250 HydrophobicContact CG1-CB 4.08Å; V206-P250 HydrophobicContact CG1-CG 3.96Å
207	E	94	Very high	95.5	Very high	73 Å²	73	27.8 Å²	27.8	34%	0.341	15%	0.147	S	C	.	.	S	Bend	trans	-90.7	70.3	173.8	-70.7	178.9	-173.8	0	0	109.7	N204 N209 I210 P250	N204-E207 HydrophobicContact CB-CB 4.48Å; N204-E207 WeakPolarHBondContact CB-O 3.43Å; N204-E207 PolarHBondContact OD1-N 2.93Å; E207-N209 PolarHBondContact O-N 2.75Å; E207-I210 HydrophobicContact CB-CD1 4.24Å; E207-I210 HydrophobicContact CB-CG1 4.47Å; E207-I210 PolarHBondContact O-N 3.45Å; E207-I210 WeakPolarHBondContact OE2-CD1 3.41Å; E207-P250 HydrophobicContact CB-CB 4.38Å; E207-P250 HydrophobicContact CG-CB 3.8Å; E207-P250 HydrophobicContact CG-CG 4.26Å
208	N	92.7	Very high	95.5	Very high	31 Å²	31	27.8 Å²	27.8	17%	0.166	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.1	-165.2	-53.7	-14.6	0	0	0	116.3	H162 S164 N204 P205 V206 I210	H162-N208 WeakPolarHBondContact CE1-CB 3.21Å; H162-N208 PolarHBondContact NE2-O 2.65Å; H162-N208 VanDerWaalsContact NE2-O 3.16Å; S164-N208 PolarHBondContact OG-ND2 2.82Å; S164-N208 VanDerWaalsContact OG-ND2 3.08Å; N204-N208 WeakPolarHBondContact O-CA 3.27Å; N204-N208 PolarHBondContact O-OD1 2.81Å; P205-N208 PolarHBondContact O-OD1 2.88Å; V206-N208 VanDerWaalsContact C-N 3.35Å; V206-N208 PolarHBondContact O-N 3.18Å; V206-N208 PolarHBondContact O-OD1 2.79Å; N208-I210 VanDerWaalsContact C-N 3.27Å
209	N	93.6	Very high	95.4	Very high	56 Å²	56	27.8 Å²	27.8	30%	0.299	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.2	177.3	-60.9	-91.7	0	0	0	112.4	E207 D224 C225 R226	E207-N209 PolarHBondContact O-N 2.75Å; N209-D224 CarbonylContact O-C 3.52Å; N209-C225 VanDerWaalsContact O-CB 3.31Å; N209-C225 WeakPolarHBondContact O-CB 3.03Å; N209-C225 PolarHBondContact O-N 3.16Å; N209-C225 PolarHBondContact O-SG 3.07Å; N209-R226 HydrophobicContact CB-CG 4.26Å; N209-R226 VanDerWaalsContact CG-CZ 3.5Å; N209-R226 VanDerWaalsContact CG-NH2 3.26Å; N209-R226 PolarHBondContact ND2-NH2 3.05Å; N209-R226 PolarHBondContact OD1-NE 3.32Å
210	I	95.6	Very high	95.4	Very high	29 Å²	29	27 Å²	27	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.6	-179.8	-60	-179.1	0	0	0	109.1	N204 E207 N208 L222 I223 W245	N204-I210 HydrophobicContact CB-CB 4.24Å; N204-I210 VanDerWaalsContact CB-O 3.28Å; N204-I210 WeakPolarHBondContact CB-O 3.39Å; N204-I210 PolarHBondContact N-O 2.93Å; E207-I210 HydrophobicContact CB-CD1 4.24Å; E207-I210 HydrophobicContact CB-CG1 4.47Å; E207-I210 PolarHBondContact O-N 3.45Å; E207-I210 WeakPolarHBondContact OE2-CD1 3.41Å; N208-I210 VanDerWaalsContact C-N 3.27Å; I210-L222 HydrophobicContact CG2-CD1 3.71Å; I210-L222 HydrophobicContact CG2-CG 4.45Å; I210-I223 WeakPolarHBondContact CA-O 3.41Å; I210-W245 HydrophobicContact CG2-CH2 4.36Å
211	A	96.4	Very high	95.2	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	159.9	169.6	0	0	0	0	0	110.2	L169 K202 F203 I223	L169-A211 HydrophobicContact CD1-CB 3.52Å; K202-A211 WeakPolarHBondContact O-CA 3.21Å; F203-A211 HydrophobicContact CD1-CB 4.16Å; A211-I223 HydrophobicContact CB-CB 4.39Å; A211-I223 PolarHBondContact N-O 2.91Å; A211-I223 PolarHBondContact O-N 2.85Å
212	C	96.6	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.5	171.1	-178.5	0	0	0	0	108.5	A201 K202 M221 F243 W245	A201-C212 WeakPolarHBondContact CA-O 3.29Å; K202-C212 PolarHBondContact N-O 3.09Å; K202-C212 PolarHBondContact O-N 2.99Å; K202-C212 VanDerWaalsContact O-N 3.08Å; C212-M221 CarbonylContact C-O 3.56Å; C212-M221 WeakPolarHBondContact CA-O 3.45Å; C212-F243 HydrophobicContact CB-CE1 4.45Å; C212-F243 HydrophobicContact CB-CE2 3.76Å; C212-F243 HydrophobicContact CB-CZ 3.65Å; C212-F243 WeakPolarHBondContact O-CZ 3.02Å; C212-W245 HydrophobicContact CB-CH2 3.97Å; C212-W245 HydrophobicContact CB-CZ2 3.39Å
213	A	96.9	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.2	178.3	0	0	0	0	0	109.9	C176 V198 V200 A201 M221 I223	C176-A213 HydrophobicContact CB-CB 4.46Å; V198-A213 HydrophobicContact CG1-CB 3.81Å; V200-A213 CarbonylContact O-C 3.58Å; V200-A213 WeakPolarHBondContact O-CA 3.35Å; A201-A213 HydrophobicContact CB-CB 4.22Å; A213-M221 HydrophobicContact CB-CB 4.38Å; A213-M221 HydrophobicContact CB-CE 4.07Å; A213-M221 PolarHBondContact N-O 3Å; A213-M221 PolarHBondContact O-N 3.39Å; A213-I223 HydrophobicContact CB-CD1 4.02Å
214	L	97.5	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.2	171.1	-60.1	-176.8	0	0	0	108.9	V198 H199 V200 S219 L220 L240 F243	V198-L214 CarbonylContact C-O 3.5Å; V198-L214 WeakPolarHBondContact CA-O 3.44Å; H199-L214 PolarHBondContact N-O 2.85Å; H199-L214 PolarHBondContact ND1-O 2.8Å; V200-L214 HydrophobicContact CB-CB 4.25Å; V200-L214 HydrophobicContact CB-CD1 4.14Å; V200-L214 HydrophobicContact CB-CG 4.33Å; V200-L214 PolarHBondContact O-N 3.22Å; L214-S219 WeakPolarHBondContact CA-O 3.47Å; L214-L220 HydrophobicContact CD2-CD2 3.22Å; L214-L220 HydrophobicContact CD2-CG 3.84Å; L214-L240 HydrophobicContact CD1-CB 3.87Å; L214-L240 HydrophobicContact CD2-CB 3.99Å; L214-L240 HydrophobicContact CD2-CD1 3.97Å; L214-F243 HydrophobicContact CD1-CB 4.38Å; L214-F243 HydrophobicContact CD1-CD1 3.7Å; L214-F243 HydrophobicContact CD1-CG 4.49Å; L214-F243 HydrophobicContact CD2-CD1 4.26Å; L214-F243 HydrophobicContact CG-CD1 3.67Å; L214-F243 HydrophobicContact CG-CE1 4.16Å
215	T	95.7	Very high	94.9	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	157.7	177.7	53.2	0	0	0	0	110.8	E196 P197 V198 H199 D217 N218 S219	E196-T215 HydrophobicContact CB-CG2 4.17Å; P197-T215 CarbonylContact O-C 3.58Å; P197-T215 VanDerWaalsContact O-CA 3.23Å; P197-T215 WeakPolarHBondContact O-CA 3.28Å; V198-T215 HydrophobicContact CG2-CG2 4.05Å; H199-T215 PolarHBondContact CE1-O 2.86Å; H199-T215 VanDerWaalsContact CE1-O 3.27Å; T215-D217 WeakPolarHBondContact CB-OD1 3.29Å; T215-D217 PolarHBondContact O-N 3.03Å; T215-D217 PolarHBondContact OG1-OD1 2.89Å; T215-N218 PolarHBondContact O-N 2.87Å; T215-S219 PolarHBondContact N-O 3.34Å; T215-S219 VanDerWaalsContact N-O 3.1Å; T215-S219 PolarHBondContact OG1-N 3.39Å; T215-S219 PolarHBondContact OG1-O 2.82Å; T215-S219 PolarHBondContact OG1-OG 3.19Å
216	K	93.8	Very high	94.9	Very high	102 Å²	102	30.6 Å²	30.6	44%	0.443	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.5	178.7	-58	-174.8	-172.5	163.4	0	114.3	P197 N218	P197-K216 HydrophobicContact CB-CD 4Å; P197-K216 HydrophobicContact CB-CG 4.15Å; P197-K216 HydrophobicContact CG-CB 3.83Å; P197-K216 HydrophobicContact CG-CD 3.57Å; P197-K216 HydrophobicContact CG-CG 3.71Å; P197-K216 PolarHBondContact O-N 3.36Å; K216-N218 PolarHBondContact O-N 2.85Å
217	D	93.9	Very high	94.8	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.139	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	8.6	173.1	87.6	-40.5	0	0	0	113.6	E196 T215 S219 K233 K235	E196-D217 HydrophobicContact CG-CB 4.2Å; E196-D217 WeakPolarHBondContact OE1-CB 3.09Å; E196-D217 WeakPolarHBondContact OE2-CB 3.41Å; E196-D217 VanDerWaalsContact OE2-OD2 3.13Å; T215-D217 WeakPolarHBondContact CB-OD1 3.29Å; T215-D217 PolarHBondContact O-N 3.03Å; T215-D217 PolarHBondContact OG1-OD1 2.89Å; D217-S219 WeakPolarHBondContact OD1-CB 3.4Å; D217-S219 PolarHBondContact OD1-N 2.91Å; D217-S219 PolarHBondContact OD1-OG 3.42Å; D217-K233 IonicContact OD1-NZ 2.72Å; D217-K233 WeakPolarHBondContact OD2-CE 3.48Å; D217-K233 IonicContact OD2-NZ 3.51Å; D217-K233 PolarHBondContact OD2-NZ 3.38Å; D217-K235 VanDerWaalsContact O-CE 3.27Å; D217-K235 WeakPolarHBondContact O-CE 3.42Å; D217-K235 IonicContact OD2-NZ 3.61Å
218	N	95.2	Very high	94.7	Very high	35 Å²	35	33.3 Å²	33.3	19%	0.187	16%	0.159	C	C	.	.	S	Bend	trans	74.3	24.7	-175.6	-47.9	-19.1	0	0	0	114.1	T215 K216 M236 D237 K239	T215-N218 PolarHBondContact O-N 2.87Å; K216-N218 PolarHBondContact O-N 2.85Å; N218-M236 WeakPolarHBondContact CB-O 3.02Å; N218-M236 WeakPolarHBondContact O-CB 3.49Å; N218-M236 PolarHBondContact O-N 3.23Å; N218-D237 PolarHBondContact ND2-O 2.77Å; N218-K239 VanDerWaalsContact CG-N 3.3Å; N218-K239 WeakPolarHBondContact OD1-CA 3.41Å; N218-K239 WeakPolarHBondContact OD1-CB 3.42Å; N218-K239 PolarHBondContact OD1-N 3.15Å
219	S	95.2	Very high	94.7	Very high	1 Å²	1	38 Å²	38	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	155.1	178.8	79.2	0	0	0	0	115.4	L214 T215 D217 K233 V234	L214-S219 WeakPolarHBondContact CA-O 3.47Å; T215-S219 PolarHBondContact N-O 3.34Å; T215-S219 VanDerWaalsContact N-O 3.1Å; T215-S219 PolarHBondContact OG1-N 3.39Å; T215-S219 PolarHBondContact OG1-O 2.82Å; T215-S219 PolarHBondContact OG1-OG 3.19Å; D217-S219 WeakPolarHBondContact OD1-CB 3.4Å; D217-S219 PolarHBondContact OD1-N 2.91Å; D217-S219 PolarHBondContact OD1-OG 3.42Å; S219-K233 VanDerWaalsContact CB-CE 3.45Å; S219-K233 WeakPolarHBondContact OG-CE 3.05Å; S219-K233 PolarHBondContact OG-NZ 2.86Å; S219-V234 CarbonylContact C-O 3.45Å; S219-V234 WeakPolarHBondContact CA-O 3.01Å; S219-V234 WeakPolarHBondContact CB-O 3.39Å
220	L	95.4	Very high	94.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.8	171.5	-71.4	147.8	0	0	0	107.8	L214 K233 V234 M236 L240 F253 F265 F270	L214-L220 HydrophobicContact CD2-CD2 3.22Å; L214-L220 HydrophobicContact CD2-CG 3.84Å; L220-K233 CarbonylContact O-C 3.49Å; L220-K233 VanDerWaalsContact O-CA 3.24Å; L220-K233 WeakPolarHBondContact O-CA 3.46Å; L220-V234 HydrophobicContact CB-CB 4.49Å; L220-V234 PolarHBondContact N-O 3Å; L220-V234 PolarHBondContact O-N 3.02Å; L220-M236 HydrophobicContact CD1-CG 4.41Å; L220-L240 HydrophobicContact CD1-CD1 3.47Å; L220-L240 VanDerWaalsContact CD1-CD1 3.47Å; L220-L240 HydrophobicContact CD2-CD1 3.64Å; L220-L240 HydrophobicContact CG-CD1 3.42Å; L220-L240 VanDerWaalsContact CG-CD1 3.42Å; L220-F253 HydrophobicContact CD2-CE2 3.62Å; L220-F253 HydrophobicContact CD2-CZ 3.89Å; L220-F265 HydrophobicContact CD1-CD1 4.38Å; L220-F265 HydrophobicContact CD1-CD2 4.08Å; L220-F265 HydrophobicContact CD1-CE1 3.88Å; L220-F265 HydrophobicContact CD1-CE2 3.55Å; L220-F265 HydrophobicContact CD1-CG 4.47Å; L220-F265 HydrophobicContact CD1-CZ 3.44Å; L220-F265 VanDerWaalsContact CD1-CZ 3.44Å; L220-F270 HydrophobicContact CB-CE1 4.4Å; L220-F270 HydrophobicContact CB-CZ 3.73Å
221	M	94.7	Very high	94.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117	176.1	-176.2	172.8	77.4	0	0	109.6	C176 W191 W193 C212 A213 I223 P230	C176-M221 HydrophobicContact CB-CE 4.25Å; W191-M221 HydrophobicContact CB-CE 4.12Å; W193-M221 HydrophobicContact CB-SD 3.84Å; C212-M221 CarbonylContact C-O 3.56Å; C212-M221 WeakPolarHBondContact CA-O 3.45Å; A213-M221 HydrophobicContact CB-CB 4.38Å; A213-M221 HydrophobicContact CB-CE 4.07Å; A213-M221 PolarHBondContact N-O 3Å; A213-M221 PolarHBondContact O-N 3.39Å; M221-I223 HydrophobicContact CE-CD1 3.53Å; M221-I223 HydrophobicContact CE-CG1 3.89Å; M221-I223 HydrophobicContact CG-CG1 4.14Å; M221-P230 HydrophobicContact CG-CB 3.58Å; M221-P230 HydrophobicContact CG-CG 4.41Å; M221-P230 HydrophobicContact SD-CB 3.7Å; M221-P230 HydrophobicContact SD-CG 3.99Å
222	L	95.7	Very high	94.4	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129	174.1	-170.8	70.6	0	0	0	109.3	I210 I231 R232 W245 N267 F270	I210-L222 HydrophobicContact CG2-CD1 3.71Å; I210-L222 HydrophobicContact CG2-CG 4.45Å; L222-I231 HydrophobicContact CD2-CD1 4.18Å; L222-I231 HydrophobicContact CG-CD1 4.17Å; L222-I231 PolarHBondContact O-N 2.8Å; L222-R232 HydrophobicContact CB-CB 4.48Å; L222-R232 PolarHBondContact N-O 2.66Å; L222-W245 HydrophobicContact CD1-CH2 4.16Å; L222-N267 HydrophobicContact CD2-CB 4.38Å; L222-F270 HydrophobicContact CB-CE1 4.14Å; L222-F270 HydrophobicContact CB-CE2 4.42Å; L222-F270 HydrophobicContact CB-CZ 4.01Å
223	I	95.5	Very high	94.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.5	-173.1	-55.2	170.6	0	0	0	108.6	C176 W191 I210 A211 A213 M221	C176-I223 HydrophobicContact CB-CD1 4.06Å; W191-I223 HydrophobicContact CB-CD1 4.23Å; W191-I223 HydrophobicContact CB-CG2 4.46Å; W191-I223 HydrophobicContact CD2-CD1 4.43Å; W191-I223 HydrophobicContact CD2-CG2 3.36Å; W191-I223 VanDerWaalsContact CE2-CG2 3.43Å; W191-I223 HydrophobicContact CE3-CD1 4.27Å; W191-I223 HydrophobicContact CE3-CG2 3.8Å; W191-I223 HydrophobicContact CG-CD1 4.44Å; W191-I223 HydrophobicContact CG-CG2 3.67Å; W191-I223 HydrophobicContact CH2-CG2 4.28Å; W191-I223 HydrophobicContact CZ2-CG2 3.93Å; W191-I223 HydrophobicContact CZ3-CG2 4.23Å; I210-I223 WeakPolarHBondContact CA-O 3.41Å; A211-I223 HydrophobicContact CB-CB 4.39Å; A211-I223 PolarHBondContact N-O 2.91Å; A211-I223 PolarHBondContact O-N 2.85Å; A213-I223 HydrophobicContact CB-CD1 4.02Å; M221-I223 HydrophobicContact CE-CD1 3.53Å; M221-I223 HydrophobicContact CE-CG1 3.89Å; M221-I223 HydrophobicContact CG-CG1 4.14Å
224	D	94.8	Very high	94.2	Very high	25 Å²	25	40.5 Å²	40.5	13%	0.134	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.8	162.4	-174.8	-11.2	0	0	0	107.3	N209 R226 Q227 I231	N209-D224 CarbonylContact O-C 3.52Å; D224-R226 PolarHBondContact O-N 3.42Å; D224-R226 WeakPolarHBondContact OD1-CB 3.24Å; D224-R226 WeakPolarHBondContact OD1-CG 3.34Å; D224-R226 PolarHBondContact OD1-N 2.85Å; D224-Q227 HydrophobicContact CB-CB 4.44Å; D224-Q227 HydrophobicContact CB-CG 4.2Å; D224-Q227 PolarHBondContact O-N 2.95Å; D224-I231 HydrophobicContact CB-CD1 3.56Å; D224-I231 HydrophobicContact CB-CG1 3.89Å
225	C	92.6	Very high	94.1	Very high	10 Å²	10	43.6 Å²	43.6	7%	0.068	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.6	-179.3	-62	0	0	0	0	112.2	R189 W191 N209	R189-C225 WeakPolarHBondContact CD-O 3.43Å; R189-C225 VanDerWaalsContact CZ-O 3.28Å; R189-C225 PolarHBondContact NH1-O 2.51Å; W191-C225 HydrophobicContact CH2-CB 4.38Å; W191-C225 HydrophobicContact CZ2-CB 4.47Å; N209-C225 VanDerWaalsContact O-CB 3.31Å; N209-C225 WeakPolarHBondContact O-CB 3.03Å; N209-C225 PolarHBondContact O-N 3.16Å; N209-C225 PolarHBondContact O-SG 3.07Å
226	R	92.4	Very high	94.1	Very high	160 Å²	160	43.5 Å²	43.5	60%	0.604	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.3	178	-59.2	167.1	-179.8	179	1.2	113.5	N209 D224	N209-R226 HydrophobicContact CB-CG 4.26Å; N209-R226 VanDerWaalsContact CG-CZ 3.5Å; N209-R226 VanDerWaalsContact CG-NH2 3.26Å; N209-R226 PolarHBondContact ND2-NH2 3.05Å; N209-R226 PolarHBondContact OD1-NE 3.32Å; D224-R226 PolarHBondContact O-N 3.42Å; D224-R226 WeakPolarHBondContact OD1-CB 3.24Å; D224-R226 WeakPolarHBondContact OD1-CG 3.34Å; D224-R226 PolarHBondContact OD1-N 2.85Å
227	Q	93.3	Very high	94.1	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.463	20%	0.198	S	C	.	.	S	Bend	trans	-106.9	152.6	-177.8	-59.1	-175.5	14.9	0	0	110	W191 D224	W191-Q227 PolarHBondContact NE1-O 3.45Å; D224-Q227 HydrophobicContact CB-CB 4.44Å; D224-Q227 HydrophobicContact CB-CG 4.2Å; D224-Q227 PolarHBondContact O-N 2.95Å
228	D	91.1	Very high	94.2	Very high	109 Å²	109	45 Å²	45	58%	0.583	21%	0.212	S	C	*	.	S	Bend	trans	-86.5	-14.6	179.6	-60.1	-28.8	0	0	0	112.6	R189	R189-D228 IonicContact CZ-OD1 3.97Å; R189-D228 IonicContact NE-OD1 3.15Å; R189-D228 PolarHBondContact NE-OD1 3.01Å; R189-D228 VanDerWaalsContact NE-OD1 3.15Å; R189-D228 IonicContact NH2-OD1 3.92Å
229	Q	92.4	Very high	94.3	Very high	131 Å²	131	45.6 Å²	45.6	61%	0.612	21%	0.213	S	C	*	.	S	Bend	trans	-112.1	145.8	177	-64.1	-60.2	-42.6	0	0	110.8
230	P	93.3	Very high	94.4	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.058	21%	0.214	C	C	.	.			trans	-60.8	146.4	170.3	27.3	-35.9	0	0	0	111.3	W193 M221	W193-P230 HydrophobicContact CD2-CG 4.46Å; W193-P230 HydrophobicContact CE3-CB 4.11Å; W193-P230 HydrophobicContact CE3-CG 3.43Å; W193-P230 VanDerWaalsContact CE3-CG 3.43Å; W193-P230 HydrophobicContact CZ3-CG 3.96Å; M221-P230 HydrophobicContact CG-CB 3.58Å; M221-P230 HydrophobicContact CG-CG 4.41Å; M221-P230 HydrophobicContact SD-CB 3.7Å; M221-P230 HydrophobicContact SD-CG 3.99Å
231	I	93.2	Very high	94.5	Very high	46 Å²	46	46.9 Å²	46.9	24%	0.236	22%	0.22	C	C	.	.	S	Bend	trans	-78.7	-44.8	-173.1	-49.4	172	0	0	0	111.8	L222 D224 K443	L222-I231 HydrophobicContact CD2-CD1 4.18Å; L222-I231 HydrophobicContact CG-CD1 4.17Å; L222-I231 PolarHBondContact O-N 2.8Å; D224-I231 HydrophobicContact CB-CD1 3.56Å; D224-I231 HydrophobicContact CB-CG1 3.89Å; I231-K443 VanDerWaalsContact O-OXT 3.09Å
232	R	94	Very high	94.6	Very high	78 Å²	78	47.2 Å²	47.2	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	149.5	-175.2	-67.2	-175.7	-176.1	168.2	3.9	110.5	L222 R268 F270	L222-R232 HydrophobicContact CB-CB 4.48Å; L222-R232 PolarHBondContact N-O 2.66Å; R232-R268 PolarHBondContact NH1-O 2.81Å; R232-F270 HydrophobicContact CB-CD1 3.67Å; R232-F270 HydrophobicContact CB-CE1 4.04Å
233	K	94.1	Very high	94.7	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.017	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.1	170.6	173.3	175.8	160.5	151.9	0	110.9	W193 E196 D217 S219 L220 Y442	W193-K233 HydrophobicContact CB-CD 4.07Å; W193-K233 HydrophobicContact CD2-CB 3.98Å; W193-K233 HydrophobicContact CD2-CD 3.84Å; W193-K233 HydrophobicContact CE3-CB 4.02Å; W193-K233 HydrophobicContact CG-CB 4.45Å; W193-K233 HydrophobicContact CG-CD 3.46Å; W193-K233 VanDerWaalsContact CG-CD 3.46Å; W193-K233 HydrophobicContact CZ3-CB 4.45Å; E196-K233 IonicContact OE1-NZ 3.8Å; E196-K233 PolarHBondContact OE1-NZ 3.43Å; E196-K233 IonicContact OE2-NZ 2.82Å; E196-K233 PolarHBondContact OE2-NZ 3.18Å; D217-K233 IonicContact OD1-NZ 2.72Å; D217-K233 WeakPolarHBondContact OD2-CE 3.48Å; D217-K233 IonicContact OD2-NZ 3.51Å; D217-K233 PolarHBondContact OD2-NZ 3.38Å; S219-K233 VanDerWaalsContact CB-CE 3.45Å; S219-K233 WeakPolarHBondContact OG-CE 3.05Å; S219-K233 PolarHBondContact OG-NZ 2.86Å; L220-K233 CarbonylContact O-C 3.49Å; L220-K233 VanDerWaalsContact O-CA 3.24Å; L220-K233 WeakPolarHBondContact O-CA 3.46Å; K233-Y442 HydrophobicContact CB-CD2 4.21Å; K233-Y442 HydrophobicContact CD-CD2 4.23Å; K233-Y442 HydrophobicContact CG-CD2 4.02Å; K233-Y442 PolarHBondContact N-O 3.18Å; K233-Y442 PolarHBondContact O-N 2.56Å
234	V	95.1	Very high	94.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.5	174.2	172.7	0	0	0	0	108.5	S219 L220 M236 F270 V438 Q441	S219-V234 CarbonylContact C-O 3.45Å; S219-V234 WeakPolarHBondContact CA-O 3.01Å; S219-V234 WeakPolarHBondContact CB-O 3.39Å; L220-V234 HydrophobicContact CB-CB 4.49Å; L220-V234 PolarHBondContact N-O 3Å; L220-V234 PolarHBondContact O-N 3.02Å; V234-M236 HydrophobicContact CG1-SD 4.31Å; V234-F270 HydrophobicContact CB-CD1 4.39Å; V234-F270 HydrophobicContact CB-CE1 4.03Å; V234-F270 HydrophobicContact CG2-CD1 3.41Å; V234-F270 VanDerWaalsContact CG2-CD1 3.41Å; V234-F270 HydrophobicContact CG2-CE1 3.53Å; V234-F270 HydrophobicContact CG2-CG 4.24Å; V234-F270 HydrophobicContact CG2-CZ 4.44Å; V234-F270 WeakPolarHBondContact CG2-O 3.27Å; V234-V438 HydrophobicContact CG1-CG1 3.86Å; V234-V438 HydrophobicContact CG1-CG2 4.43Å; V234-Q441 HydrophobicContact CG2-CG 4.5Å
235	K	95.2	Very high	95	Very high	64 Å²	64	46.6 Å²	46.6	28%	0.278	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.2	178.4	-173.4	169.6	-175.9	150.3	0	110.5	D217 V439 A440	D217-K235 VanDerWaalsContact O-CE 3.27Å; D217-K235 WeakPolarHBondContact O-CE 3.42Å; D217-K235 IonicContact OD2-NZ 3.61Å; K235-V439 HydrophobicContact CG-CB 4.31Å; K235-V439 PolarHBondContact O-N 3.35Å; K235-A440 HydrophobicContact CB-CB 4.21Å; K235-A440 PolarHBondContact N-O 3.15Å; K235-A440 PolarHBondContact O-N 3.09Å
236	M	95.5	Very high	95.2	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	161.7	176.3	-59.6	-62.6	-68.3	0	0	111	N218 L220 V234 L238 L240 Y263 F265 H437 V438	N218-M236 WeakPolarHBondContact CB-O 3.02Å; N218-M236 WeakPolarHBondContact O-CB 3.49Å; N218-M236 PolarHBondContact O-N 3.23Å; L220-M236 HydrophobicContact CD1-CG 4.41Å; V234-M236 HydrophobicContact CG1-SD 4.31Å; M236-L238 WeakPolarHBondContact CB-O 3.17Å; M236-L240 HydrophobicContact CG-CD1 4.08Å; M236-L240 HydrophobicContact CG-CG 4.33Å; M236-Y263 HydrophobicContact CE-CD1 4.48Å; M236-Y263 HydrophobicContact CE-CD2 4.24Å; M236-Y263 HydrophobicContact CE-CE1 4.42Å; M236-Y263 HydrophobicContact CE-CE2 4.2Å; M236-Y263 HydrophobicContact CE-CG 4.38Å; M236-F265 HydrophobicContact CE-CZ 4.22Å; M236-F265 HydrophobicContact SD-CE1 4.39Å; M236-F265 HydrophobicContact SD-CZ 3.81Å; M236-H437 CarbonylContact C-O 3.58Å; M236-H437 WeakPolarHBondContact CA-O 3.39Å; M236-H437 HydrophobicContact CE-CB 3.87Å; M236-H437 WeakPolarHBondContact CE-O 3.17Å; M236-V438 HydrophobicContact CE-CG2 4.39Å; M236-V438 HydrophobicContact SD-CG2 3.78Å
237	D	93.9	Very high	95.3	Very high	76 Å²	76	40.1 Å²	40.1	41%	0.406	20%	0.198	S	C	.	.	S	Bend	trans	-61.3	-47.1	175	-71.2	-15	0	0	0	111.7	N218 H437 V439	N218-D237 PolarHBondContact ND2-O 2.77Å; D237-H437 PolarHBondContact N-O 3.07Å; D237-H437 WeakPolarHBondContact OD2-CA 3.48Å; D237-H437 IonicContact OD2-ND1 3.37Å; D237-V439 HydrophobicContact CB-CG2 4.44Å; D237-V439 WeakPolarHBondContact OD1-CG2 3.23Å
238	L	96	Very high	95.5	Very high	82 Å²	82	41.4 Å²	41.4	43%	0.429	21%	0.205	S	C	.	.	S	Bend	trans	-121.5	156	-176.8	-73.3	173.4	0	0	0	110.7	M236 E258 D259	M236-L238 WeakPolarHBondContact CB-O 3.17Å; L238-E258 HydrophobicContact CB-CB 4.48Å; L238-D259 HydrophobicContact CB-CB 4.24Å; L238-D259 HydrophobicContact CD1-CB 3.47Å; L238-D259 VanDerWaalsContact CD1-CB 3.47Å; L238-D259 HydrophobicContact CG-CB 4.45Å
239	K	96.1	Very high	95.7	Very high	49 Å²	49	40 Å²	40	21%	0.213	20%	0.195	C	C	.	.			trans	-62.3	144.9	-173.5	-169.6	-179.9	161.9	-160.4	0	111.8	N218 S257 E258	N218-K239 VanDerWaalsContact CG-N 3.3Å; N218-K239 WeakPolarHBondContact OD1-CA 3.41Å; N218-K239 WeakPolarHBondContact OD1-CB 3.42Å; N218-K239 PolarHBondContact OD1-N 3.15Å; K239-S257 WeakPolarHBondContact O-CA 3.5Å; K239-S257 PolarHBondContact O-OG 3.13Å; K239-E258 HydrophobicContact CB-CG 3.99Å; K239-E258 PolarHBondContact O-N 3.39Å
240	L	97.8	Very high	95.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.3	166.2	-59.7	175.4	0	0	0	109.2	H199 L214 L220 M236 A255 A256 Y263	H199-L240 PolarHBondContact NE2-O 3.06Å; L214-L240 HydrophobicContact CD1-CB 3.87Å; L214-L240 HydrophobicContact CD2-CB 3.99Å; L214-L240 HydrophobicContact CD2-CD1 3.97Å; L220-L240 HydrophobicContact CD1-CD1 3.47Å; L220-L240 VanDerWaalsContact CD1-CD1 3.47Å; L220-L240 HydrophobicContact CD2-CD1 3.64Å; L220-L240 HydrophobicContact CG-CD1 3.42Å; L220-L240 VanDerWaalsContact CG-CD1 3.42Å; M236-L240 HydrophobicContact CG-CD1 4.08Å; M236-L240 HydrophobicContact CG-CG 4.33Å; L240-A255 HydrophobicContact CD1-CB 3.86Å; L240-A255 HydrophobicContact CD2-CB 4.08Å; L240-A255 HydrophobicContact CG-CB 4.38Å; L240-A256 CarbonylContact C-O 3.56Å; L240-A256 WeakPolarHBondContact CA-O 3.46Å; L240-Y263 HydrophobicContact CD2-CD2 4.21Å
241	N	97.5	Very high	95.7	Very high	25 Å²	25	36 Å²	36	13%	0.134	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-43.4	-174	-70.2	-41.6	0	0	0	112.1	V200 A256 E258 V284 L285	V200-N241 WeakPolarHBondContact CG2-O 3.36Å; N241-A256 PolarHBondContact N-O 2.9Å; N241-E258 WeakPolarHBondContact ND2-CG 3.28Å; N241-E258 WeakPolarHBondContact OD1-CG 3.38Å; N241-V284 WeakPolarHBondContact CB-O 3.32Å; N241-V284 PolarHBondContact ND2-O 2.84Å; N241-L285 WeakPolarHBondContact CB-O 3.32Å
242	S	97.6	Very high	95.9	Very high	8 Å²	8	34 Å²	34	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	171	175.8	94.6	0	0	0	0	110.4	A255 A256 D286 V287	S242-A255 CarbonylContact O-C 3.57Å; S242-A255 WeakPolarHBondContact O-CA 3.37Å; S242-A256 PolarHBondContact O-N 3.24Å; S242-D286 WeakPolarHBondContact CB-OD1 3.4Å; S242-D286 VanDerWaalsContact OG-CA 3.28Å; S242-D286 WeakPolarHBondContact OG-CA 3.3Å; S242-D286 PolarHBondContact OG-OD1 2.8Å; S242-V287 PolarHBondContact OG-N 3.01Å
243	F	97.9	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.2	171.3	78.2	-81.6	0	0	0	111	V200 K202 C212 L214 W245 F253 T254 A255	V200-F243 HydrophobicContact CB-CE1 4.47Å; V200-F243 HydrophobicContact CG1-CD1 3.8Å; V200-F243 HydrophobicContact CG1-CE1 3.71Å; K202-F243 HydrophobicContact CB-CE1 4.35Å; K202-F243 HydrophobicContact CB-CE2 4.09Å; K202-F243 HydrophobicContact CB-CZ 3.61Å; K202-F243 HydrophobicContact CD-CZ 4.41Å; K202-F243 HydrophobicContact CG-CE1 4.33Å; K202-F243 HydrophobicContact CG-CZ 4.06Å; K202-F243 PolarHBondContact NZ-O 3.41Å; C212-F243 HydrophobicContact CB-CE1 4.45Å; C212-F243 HydrophobicContact CB-CE2 3.76Å; C212-F243 HydrophobicContact CB-CZ 3.65Å; C212-F243 WeakPolarHBondContact O-CZ 3.02Å; L214-F243 HydrophobicContact CD1-CB 4.38Å; L214-F243 HydrophobicContact CD1-CD1 3.7Å; L214-F243 HydrophobicContact CD1-CG 4.49Å; L214-F243 HydrophobicContact CD2-CD1 4.26Å; L214-F243 HydrophobicContact CG-CD1 3.67Å; L214-F243 HydrophobicContact CG-CE1 4.16Å; F243-W245 AromaticContact CE2-CD1 3.94Å; F243-W245 AromaticContact CE2-CE2 3.85Å; F243-W245 HydrophobicContact CE2-CZ2 4.28Å; F243-W245 AromaticContact CE2-NE1 3.51Å; F243-F253 HydrophobicContact CB-CD2 4.28Å; F243-F253 HydrophobicContact CD2-CB 4.41Å; F243-F253 AromaticContact CD2-CD2 3.88Å; F243-F253 HydrophobicContact CD2-CD2 3.88Å; F243-F253 HydrophobicContact CD2-CG 4.4Å; F243-F253 HydrophobicContact CG-CD2 4.41Å; F243-T254 CarbonylContact C-O 3.56Å; F243-T254 WeakPolarHBondContact CA-O 3.33Å; F243-T254 VanDerWaalsContact CB-O 3.26Å; F243-T254 WeakPolarHBondContact CB-O 3.31Å; F243-A255 HydrophobicContact CB-CB 3.86Å
244	S	97.9	Very high	96.2	Very high	11 Å²	11	30.1 Å²	30.1	8%	0.077	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.5	174.9	-171.7	0	0	0	0	110.5	F253 T254 V287 Y289	S244-F253 CarbonylContact O-C 3.5Å; S244-F253 VanDerWaalsContact O-CA 3.31Å; S244-F253 WeakPolarHBondContact O-CA 3.36Å; S244-F253 VanDerWaalsContact O-CB 3.3Å; S244-F253 WeakPolarHBondContact O-CB 3.47Å; S244-T254 PolarHBondContact N-O 3.05Å; S244-T254 PolarHBondContact O-N 3.33Å; S244-V287 VanDerWaalsContact CB-O 3.3Å; S244-V287 WeakPolarHBondContact CB-O 3.47Å; S244-Y289 VanDerWaalsContact O-CE2 3.22Å; S244-Y289 WeakPolarHBondContact O-CE2 3.31Å
245	W	97.8	Very high	96.4	Very high	11 Å²	11	30.1 Å²	30.1	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.8	175.5	-69.5	104.9	0	0	0	110.6	K202 F203 N204 P205 I210 C212 L222 F243 P247 F253 N267 Y289	K202-W245 PolarHBondContact O-NE1 3.14Å; K202-W245 VanDerWaalsContact O-NE1 3.12Å; F203-W245 VanDerWaalsContact C-NE1 3.33Å; F203-W245 PolarHBondContact O-NE1 2.97Å; F203-W245 VanDerWaalsContact O-NE1 3.16Å; N204-W245 HydrophobicContact CB-CD2 4.19Å; N204-W245 HydrophobicContact CB-CE3 4.49Å; N204-W245 HydrophobicContact CB-CZ2 4.41Å; P205-W245 VanDerWaalsContact CD-CB 3.42Å; P205-W245 HydrophobicContact CG-CB 4.06Å; I210-W245 HydrophobicContact CG2-CH2 4.36Å; C212-W245 HydrophobicContact CB-CH2 3.97Å; C212-W245 HydrophobicContact CB-CZ2 3.39Å; L222-W245 HydrophobicContact CD1-CH2 4.16Å; F243-W245 AromaticContact CE2-CD1 3.94Å; F243-W245 AromaticContact CE2-CE2 3.85Å; F243-W245 HydrophobicContact CE2-CZ2 4.28Å; F243-W245 AromaticContact CE2-NE1 3.51Å; W245-P247 VanDerWaalsContact O-CD 3.31Å; W245-P247 WeakPolarHBondContact O-CD 3.1Å; W245-F253 HydrophobicContact CD2-CB 4Å; W245-F253 HydrophobicContact CE3-CB 3.58Å; W245-F253 HydrophobicContact CE3-CD1 4.14Å; W245-F253 HydrophobicContact CE3-CG 4.21Å; W245-F253 AromaticContact CH2-CD1 3.82Å; W245-F253 HydrophobicContact CH2-CD1 3.82Å; W245-F253 HydrophobicContact CH2-CE1 4.39Å; W245-F253 HydrophobicContact CH2-CG 4.37Å; W245-F253 HydrophobicContact CZ3-CB 3.85Å; W245-F253 AromaticContact CZ3-CD1 3.47Å; W245-F253 HydrophobicContact CZ3-CD1 3.47Å; W245-F253 VanDerWaalsContact CZ3-CD1 3.47Å; W245-F253 HydrophobicContact CZ3-CE1 4.4Å; W245-F253 AromaticContact CZ3-CG 3.98Å; W245-F253 HydrophobicContact CZ3-CG 3.98Å; W245-N267 WeakPolarHBondContact CH2-ND2 3.28Å; W245-N267 WeakPolarHBondContact CZ3-ND2 3.33Å; W245-Y289 VanDerWaalsContact C-CD2 3.41Å; W245-Y289 WeakPolarHBondContact O-CD2 3.14Å
246	N	97.5	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.			trans	-71.1	119.6	166.6	-176.7	-17.8	0	0	0	108.4	M248 E249 I252 Y289 G293	N246-M248 PolarHBondContact O-N 2.69Å; N246-M248 PolarHBondContact OD1-N 2.98Å; N246-E249 HydrophobicContact CB-CB 4.37Å; N246-E249 PolarHBondContact ND2-OE2 3.26Å; N246-E249 PolarHBondContact OD1-N 2.98Å; N246-I252 HydrophobicContact CB-CB 4.1Å; N246-I252 HydrophobicContact CB-CG2 4.35Å; N246-I252 WeakPolarHBondContact CB-O 3.22Å; N246-I252 PolarHBondContact N-O 3.04Å; N246-Y289 HydrophobicContact CB-CD1 4.28Å; N246-Y289 HydrophobicContact CB-CD2 4.47Å; N246-Y289 HydrophobicContact CB-CE1 3.94Å; N246-Y289 HydrophobicContact CB-CE2 4.12Å; N246-G293 PolarHBondContact ND2-O 2.53Å; N246-G293 VanDerWaalsContact ND2-O 3.17Å; N246-G293 WeakPolarHBondContact OD1-CA 3.37Å
247	P	95	Very high	96.6	Very high	33 Å²	33	27 Å²	27	21%	0.214	14%	0.138	C	C	.	.	S	Bend	trans	-69.8	-16.1	-177.9	27.8	-35	0	0	0	114.1	P205 V206 W245 S290	P205-P247 HydrophobicContact CG-CB 4.44Å; V206-P247 WeakPolarHBondContact CG2-O 3.38Å; W245-P247 VanDerWaalsContact O-CD 3.31Å; W245-P247 WeakPolarHBondContact O-CD 3.1Å; P247-S290 VanDerWaalsContact CG-O 3.29Å; P247-S290 WeakPolarHBondContact CG-O 3.26Å
248	M	95.6	Very high	96.7	Very high	125 Å²	125	26.8 Å²	26.8	62%	0.616	14%	0.135	S	C	*	.	S	Bend	trans	-106.2	-27.3	-179.4	-66	-67.1	162.9	0	0	113.2	N246 P250 P291 T292	N246-M248 PolarHBondContact O-N 2.69Å; N246-M248 PolarHBondContact OD1-N 2.98Å; M248-P250 WeakPolarHBondContact O-CD 2.94Å; M248-P291 WeakPolarHBondContact CE-O 3.06Å; M248-T292 WeakPolarHBondContact CG-O 3.44Å
249	E	95.3	Very high	96.6	Very high	80 Å²	80	23.8 Å²	23.8	37%	0.374	12%	0.119	S	C	.	.			trans	-116.5	89	176.3	-61.6	-176.3	140.7	0	0	109.2	N246 F251 I252	N246-E249 HydrophobicContact CB-CB 4.37Å; N246-E249 PolarHBondContact ND2-OE2 3.26Å; N246-E249 PolarHBondContact OD1-N 2.98Å; E249-F251 HydrophobicContact CB-CE1 4.19Å; E249-F251 HydrophobicContact CB-CZ 4.13Å; E249-F251 HydrophobicContact CG-CZ 4.48Å; E249-F251 PolarHBondContact O-N 3.07Å; E249-I252 HydrophobicContact CB-CB 4.33Å; E249-I252 HydrophobicContact CB-CD1 4.07Å; E249-I252 HydrophobicContact CB-CG1 4.11Å; E249-I252 PolarHBondContact O-N 3.38Å; E249-I252 WeakPolarHBondContact OE2-CD1 3.27Å
250	P	92.9	Very high	96.6	Very high	18 Å²	18	25.8 Å²	25.8	12%	0.117	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.7	-169.5	13.2	-27.1	0	0	0	114.6	N204 V206 E207 M248 I252	N204-P250 PolarHBondContact ND2-O 2.77Å; V206-P250 HydrophobicContact CB-CB 3.99Å; V206-P250 HydrophobicContact CB-CG 4.37Å; V206-P250 HydrophobicContact CG1-CB 4.08Å; V206-P250 HydrophobicContact CG1-CG 3.96Å; E207-P250 HydrophobicContact CB-CB 4.38Å; E207-P250 HydrophobicContact CG-CB 3.8Å; E207-P250 HydrophobicContact CG-CG 4.26Å; M248-P250 WeakPolarHBondContact O-CD 2.94Å; P250-I252 PolarHBondContact O-N 3.15Å
251	F	94.7	Very high	96.5	Very high	37 Å²	37	26.7 Å²	26.7	16%	0.162	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.1	-178.6	52.5	-86.1	0	0	0	112.7	E249 D266 N267 R268	E249-F251 HydrophobicContact CB-CE1 4.19Å; E249-F251 HydrophobicContact CB-CZ 4.13Å; E249-F251 HydrophobicContact CG-CZ 4.48Å; E249-F251 PolarHBondContact O-N 3.07Å; F251-D266 CarbonylContact O-C 3.35Å; F251-D266 VanDerWaalsContact O-CA 3.27Å; F251-D266 WeakPolarHBondContact O-CA 3.16Å; F251-N267 PolarHBondContact O-N 2.89Å; F251-R268 HydrophobicContact CB-CG 4.05Å; F251-R268 VanDerWaalsContact CD1-CZ 3.45Å; F251-R268 VanDerWaalsContact CD1-NH2 3.32Å
252	I	96.6	Very high	96.5	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.8	-178	-56.9	-170.8	0	0	0	111	N246 E249 P250 T264 F265	N246-I252 HydrophobicContact CB-CB 4.1Å; N246-I252 HydrophobicContact CB-CG2 4.35Å; N246-I252 WeakPolarHBondContact CB-O 3.22Å; N246-I252 PolarHBondContact N-O 3.04Å; E249-I252 HydrophobicContact CB-CB 4.33Å; E249-I252 HydrophobicContact CB-CD1 4.07Å; E249-I252 HydrophobicContact CB-CG1 4.11Å; E249-I252 PolarHBondContact O-N 3.38Å; E249-I252 WeakPolarHBondContact OE2-CD1 3.27Å; P250-I252 PolarHBondContact O-N 3.15Å; I252-T264 HydrophobicContact CG2-CG2 3.32Å; I252-F265 WeakPolarHBondContact CA-O 3.4Å
253	F	97.2	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.7	164.8	68.6	-85	0	0	0	110.5	L220 F243 S244 W245 T264 F265 N267 F270	L220-F253 HydrophobicContact CD2-CE2 3.62Å; L220-F253 HydrophobicContact CD2-CZ 3.89Å; F243-F253 HydrophobicContact CB-CD2 4.28Å; F243-F253 HydrophobicContact CD2-CB 4.41Å; F243-F253 AromaticContact CD2-CD2 3.88Å; F243-F253 HydrophobicContact CD2-CD2 3.88Å; F243-F253 HydrophobicContact CD2-CG 4.4Å; F243-F253 HydrophobicContact CG-CD2 4.41Å; S244-F253 CarbonylContact O-C 3.5Å; S244-F253 VanDerWaalsContact O-CA 3.31Å; S244-F253 WeakPolarHBondContact O-CA 3.36Å; S244-F253 VanDerWaalsContact O-CB 3.3Å; S244-F253 WeakPolarHBondContact O-CB 3.47Å; W245-F253 HydrophobicContact CD2-CB 4Å; W245-F253 HydrophobicContact CE3-CB 3.58Å; W245-F253 HydrophobicContact CE3-CD1 4.14Å; W245-F253 HydrophobicContact CE3-CG 4.21Å; W245-F253 AromaticContact CH2-CD1 3.82Å; W245-F253 HydrophobicContact CH2-CD1 3.82Å; W245-F253 HydrophobicContact CH2-CE1 4.39Å; W245-F253 HydrophobicContact CH2-CG 4.37Å; W245-F253 HydrophobicContact CZ3-CB 3.85Å; W245-F253 AromaticContact CZ3-CD1 3.47Å; W245-F253 HydrophobicContact CZ3-CD1 3.47Å; W245-F253 VanDerWaalsContact CZ3-CD1 3.47Å; W245-F253 HydrophobicContact CZ3-CE1 4.4Å; W245-F253 AromaticContact CZ3-CG 3.98Å; W245-F253 HydrophobicContact CZ3-CG 3.98Å; F253-T264 CarbonylContact O-C 3.55Å; F253-T264 WeakPolarHBondContact O-CA 3.41Å; F253-F265 HydrophobicContact CD1-CB 4.02Å; F253-F265 HydrophobicContact CD2-CB 4.4Å; F253-F265 HydrophobicContact CD2-CD2 4.45Å; F253-F265 HydrophobicContact CE1-CB 3.38Å; F253-F265 HydrophobicContact CE1-CG 4.27Å; F253-F265 HydrophobicContact CE2-CB 3.82Å; F253-F265 AromaticContact CE2-CD2 3.64Å; F253-F265 HydrophobicContact CE2-CD2 3.64Å; F253-F265 HydrophobicContact CE2-CG 4.02Å; F253-F265 HydrophobicContact CG-CB 4.49Å; F253-F265 HydrophobicContact CZ-CB 3.28Å; F253-F265 AromaticContact CZ-CD2 3.79Å; F253-F265 HydrophobicContact CZ-CD2 3.79Å; F253-F265 AromaticContact CZ-CG 3.67Å; F253-F265 HydrophobicContact CZ-CG 3.67Å; F253-F265 PolarHBondContact N-O 2.84Å; F253-F265 PolarHBondContact O-N 2.75Å; F253-N267 VanDerWaalsContact CD1-OD1 3.24Å; F253-N267 WeakPolarHBondContact CD1-OD1 3.23Å; F253-N267 WeakPolarHBondContact CE1-OD1 3.28Å; F253-F270 HydrophobicContact CE1-CD2 4.17Å; F253-F270 AromaticContact CE1-CE2 3.68Å; F253-F270 HydrophobicContact CE1-CE2 3.68Å; F253-F270 HydrophobicContact CZ-CD2 4.39Å; F253-F270 AromaticContact CZ-CE2 3.6Å; F253-F270 HydrophobicContact CZ-CE2 3.6Å; F253-F270 HydrophobicContact CZ-CZ 4.49Å
254	T	98	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.1	174.7	44.3	0	0	0	0	110.8	F243 S244 Y263 T264 Y277 V287 Y289 F296	F243-T254 CarbonylContact C-O 3.56Å; F243-T254 WeakPolarHBondContact CA-O 3.33Å; F243-T254 VanDerWaalsContact CB-O 3.26Å; F243-T254 WeakPolarHBondContact CB-O 3.31Å; S244-T254 PolarHBondContact N-O 3.05Å; S244-T254 PolarHBondContact O-N 3.33Å; T254-Y263 CarbonylContact C-O 3.56Å; T254-Y263 VanDerWaalsContact CA-O 3.25Å; T254-Y263 WeakPolarHBondContact CA-O 3.33Å; T254-T264 HydrophobicContact CG2-CG2 4.19Å; T254-T264 WeakPolarHBondContact CG2-OG1 3.33Å; T254-Y277 HydrophobicContact CG2-CE2 4.13Å; T254-V287 VanDerWaalsContact OG1-CG1 3.27Å; T254-V287 WeakPolarHBondContact OG1-CG1 3.31Å; T254-Y289 HydrophobicContact CG2-CE2 4.15Å; T254-Y289 WeakPolarHBondContact CG2-OH 3.41Å; T254-Y289 WeakPolarHBondContact OG1-CE2 3.13Å; T254-Y289 PolarHBondContact OG1-OH 3.01Å; T254-F296 HydrophobicContact CG2-CE1 4.5Å; T254-F296 HydrophobicContact CG2-CZ 4.49Å
255	A	97.8	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.2	179.5	0	0	0	0	0	111.2	L240 S242 F243 V262 Y263 F265	L240-A255 HydrophobicContact CD1-CB 3.86Å; L240-A255 HydrophobicContact CD2-CB 4.08Å; L240-A255 HydrophobicContact CG-CB 4.38Å; S242-A255 CarbonylContact O-C 3.57Å; S242-A255 WeakPolarHBondContact O-CA 3.37Å; F243-A255 HydrophobicContact CB-CB 3.86Å; A255-V262 WeakPolarHBondContact O-CA 3.49Å; A255-V262 WeakPolarHBondContact O-CG1 3.43Å; A255-Y263 PolarHBondContact N-O 3.27Å; A255-Y263 PolarHBondContact O-N 3.27Å; A255-F265 HydrophobicContact CB-CE2 4.33Å
256	A	98	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	134.3	173.3	0	0	0	0	0	109.5	L240 N241 S242 V284 V287	L240-A256 CarbonylContact C-O 3.56Å; L240-A256 WeakPolarHBondContact CA-O 3.46Å; N241-A256 PolarHBondContact N-O 2.9Å; S242-A256 PolarHBondContact O-N 3.24Å; A256-V284 HydrophobicContact CB-CB 3.96Å; A256-V284 HydrophobicContact CB-CG1 3.77Å; A256-V284 WeakPolarHBondContact CB-O 3.3Å; A256-V287 HydrophobicContact CB-CG2 3.54Å
257	S	97.2	Very high	95.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.1	-180	-174.5	0	0	0	0	113.1	K239 D259 N261 V284	K239-S257 WeakPolarHBondContact O-CA 3.5Å; K239-S257 PolarHBondContact O-OG 3.13Å; S257-D259 WeakPolarHBondContact CB-OD1 3.44Å; S257-D259 PolarHBondContact O-N 3.11Å; S257-D259 PolarHBondContact OG-N 3.49Å; S257-D259 PolarHBondContact OG-OD1 2.65Å; S257-D259 VanDerWaalsContact OG-OD1 3.1Å; S257-N261 PolarHBondContact N-O 3.2Å; S257-N261 VanDerWaalsContact N-O 3.12Å; S257-V284 PolarHBondContact O-N 3.06Å
258	E	97	Very high	95.8	Very high	73 Å²	73	31.3 Å²	31.3	34%	0.341	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.2	169.8	-72.6	-172.7	168.5	0	0	113.1	L238 K239 N241 Y260	L238-E258 HydrophobicContact CB-CB 4.48Å; K239-E258 HydrophobicContact CB-CG 3.99Å; K239-E258 PolarHBondContact O-N 3.39Å; N241-E258 WeakPolarHBondContact ND2-CG 3.28Å; N241-E258 WeakPolarHBondContact OD1-CG 3.38Å; E258-Y260 VanDerWaalsContact O-CD1 3.23Å; E258-Y260 WeakPolarHBondContact O-CD1 3.33Å; E258-Y260 WeakPolarHBondContact O-CE1 3.35Å; E258-Y260 PolarHBondContact O-N 3.21Å; E258-Y260 VanDerWaalsContact O-N 3.16Å
259	D	94.4	Very high	95.6	Very high	19 Å²	19	32.6 Å²	32.6	10%	0.102	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	12.8	-179.1	84.7	-21.3	0	0	0	114.9	L238 S257 N261 Y263	L238-D259 HydrophobicContact CB-CB 4.24Å; L238-D259 HydrophobicContact CD1-CB 3.47Å; L238-D259 VanDerWaalsContact CD1-CB 3.47Å; L238-D259 HydrophobicContact CG-CB 4.45Å; S257-D259 WeakPolarHBondContact CB-OD1 3.44Å; S257-D259 PolarHBondContact O-N 3.11Å; S257-D259 PolarHBondContact OG-N 3.49Å; S257-D259 PolarHBondContact OG-OD1 2.65Å; S257-D259 VanDerWaalsContact OG-OD1 3.1Å; D259-N261 VanDerWaalsContact CG-ND2 3.33Å; D259-N261 PolarHBondContact O-N 3.44Å; D259-N261 PolarHBondContact O-ND2 3.44Å; D259-N261 WeakPolarHBondContact OD1-CA 3.32Å; D259-N261 VanDerWaalsContact OD1-CB 3.24Å; D259-N261 WeakPolarHBondContact OD1-CB 3.37Å; D259-N261 PolarHBondContact OD1-N 3.26Å; D259-N261 PolarHBondContact OD1-ND2 2.93Å; D259-N261 PolarHBondContact OD2-ND2 2.81Å; D259-Y263 PolarHBondContact OD2-OH 2.72Å
260	Y	95	Very high	95.3	Very high	91 Å²	91	29 Å²	29	36%	0.357	13%	0.128	S	C	.	.	S	Bend	trans	74	-0.2	179.8	-28.1	-39.4	0	0	0	114.3	E258 H280 N282 A283 H406	E258-Y260 VanDerWaalsContact O-CD1 3.23Å; E258-Y260 WeakPolarHBondContact O-CD1 3.33Å; E258-Y260 WeakPolarHBondContact O-CE1 3.35Å; E258-Y260 PolarHBondContact O-N 3.21Å; E258-Y260 VanDerWaalsContact O-N 3.16Å; Y260-H280 WeakPolarHBondContact O-CB 3.42Å; Y260-N282 WeakPolarHBondContact CA-O 3.04Å; Y260-A283 VanDerWaalsContact CD1-N 3.3Å; Y260-H406 AromaticContact CD2-CE1 3.47Å; Y260-H406 VanDerWaalsContact CD2-CE1 3.47Å; Y260-H406 WeakPolarHBondContact CD2-CE1 3.18Å; Y260-H406 AromaticContact CE2-CE1 3.62Å
261	N	96	Very high	95.1	Very high	21 Å²	21	33 Å²	33	11%	0.112	14%	0.144	C	C	.	.			trans	-104.5	168.8	179.1	-53.1	-56.6	0	0	0	111.2	S257 D259 Y263 V276	S257-N261 PolarHBondContact N-O 3.2Å; S257-N261 VanDerWaalsContact N-O 3.12Å; D259-N261 VanDerWaalsContact CG-ND2 3.33Å; D259-N261 PolarHBondContact O-N 3.44Å; D259-N261 PolarHBondContact O-ND2 3.44Å; D259-N261 WeakPolarHBondContact OD1-CA 3.32Å; D259-N261 VanDerWaalsContact OD1-CB 3.24Å; D259-N261 WeakPolarHBondContact OD1-CB 3.37Å; D259-N261 PolarHBondContact OD1-N 3.26Å; D259-N261 PolarHBondContact OD1-ND2 2.93Å; D259-N261 PolarHBondContact OD2-ND2 2.81Å; N261-Y263 HydrophobicContact CB-CE2 4.03Å; N261-V276 HydrophobicContact CB-CG1 3.88Å
262	V	97.5	Very high	95	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.3	174.5	-178.4	0	0	0	0	107.3	A255 V276 Y277 V284 V287 F296 T298	A255-V262 WeakPolarHBondContact O-CA 3.49Å; A255-V262 WeakPolarHBondContact O-CG1 3.43Å; V262-V276 WeakPolarHBondContact O-CA 3.47Å; V262-Y277 HydrophobicContact CB-CD2 4.13Å; V262-Y277 HydrophobicContact CG1-CD2 4.15Å; V262-Y277 PolarHBondContact N-O 3.1Å; V262-Y277 WeakPolarHBondContact O-CD2 3.33Å; V262-Y277 PolarHBondContact O-N 2.72Å; V262-V284 HydrophobicContact CG2-CB 4.17Å; V262-V284 HydrophobicContact CG2-CG1 3.88Å; V262-V284 HydrophobicContact CG2-CG2 3.86Å; V262-V287 HydrophobicContact CG1-CG2 3.89Å; V262-V287 HydrophobicContact CG2-CG2 4.43Å; V262-F296 HydrophobicContact CG1-CE2 4.13Å; V262-T298 HydrophobicContact CG1-CG2 4.39Å; V262-T298 HydrophobicContact CG2-CG2 4.02Å
263	Y	96.9	Very high	94.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.1	-171.2	-68.3	-73.9	0	0	0	110.3	M236 L240 T254 A255 D259 N261 F265 P273 V276 H437	M236-Y263 HydrophobicContact CE-CD1 4.48Å; M236-Y263 HydrophobicContact CE-CD2 4.24Å; M236-Y263 HydrophobicContact CE-CE1 4.42Å; M236-Y263 HydrophobicContact CE-CE2 4.2Å; M236-Y263 HydrophobicContact CE-CG 4.38Å; L240-Y263 HydrophobicContact CD2-CD2 4.21Å; T254-Y263 CarbonylContact C-O 3.56Å; T254-Y263 VanDerWaalsContact CA-O 3.25Å; T254-Y263 WeakPolarHBondContact CA-O 3.33Å; A255-Y263 PolarHBondContact N-O 3.27Å; A255-Y263 PolarHBondContact O-N 3.27Å; D259-Y263 PolarHBondContact OD2-OH 2.72Å; N261-Y263 HydrophobicContact CB-CE2 4.03Å; Y263-F265 HydrophobicContact CG-CE2 4.46Å; Y263-P273 HydrophobicContact CD1-CB 3.71Å; Y263-P273 HydrophobicContact CD1-CG 3.66Å; Y263-P273 HydrophobicContact CE1-CG 4.19Å; Y263-P273 HydrophobicContact CG-CB 4.31Å; Y263-V276 HydrophobicContact CD1-CB 4.36Å; Y263-V276 HydrophobicContact CD1-CG1 4.13Å; Y263-V276 HydrophobicContact CD1-CG2 3.79Å; Y263-V276 HydrophobicContact CE1-CB 4.18Å; Y263-V276 HydrophobicContact CE1-CG1 3.64Å; Y263-V276 HydrophobicContact CE1-CG2 3.59Å; Y263-H437 HydrophobicContact CE1-CB 4.48Å; Y263-H437 PolarHBondContact OH-CD2 3.02Å; Y263-H437 VanDerWaalsContact OH-CG 3.25Å
264	T	96.9	Very high	94.7	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.4	165.1	-58.1	0	0	0	0	109.3	I252 F253 T254 P273 R274 R275 Y277	I252-T264 HydrophobicContact CG2-CG2 3.32Å; F253-T264 CarbonylContact O-C 3.55Å; F253-T264 WeakPolarHBondContact O-CA 3.41Å; T254-T264 HydrophobicContact CG2-CG2 4.19Å; T254-T264 WeakPolarHBondContact CG2-OG1 3.33Å; T264-P273 CarbonylContact O-C 3.59Å; T264-P273 VanDerWaalsContact O-CA 3.24Å; T264-P273 WeakPolarHBondContact O-CA 3.4Å; T264-P273 WeakPolarHBondContact O-CB 3.41Å; T264-R274 HydrophobicContact CG2-CB 4.49Å; T264-R274 PolarHBondContact O-N 2.93Å; T264-R275 PolarHBondContact N-O 2.86Å; T264-R275 PolarHBondContact O-N 3Å; T264-Y277 WeakPolarHBondContact OG1-CE2 3.45Å; T264-Y277 PolarHBondContact OG1-OH 2.96Å
265	F	96	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	153.8	170.4	-70.2	-87.3	0	0	0	110.7	L220 M236 I252 F253 A255 Y263 P273	L220-F265 HydrophobicContact CD1-CD1 4.38Å; L220-F265 HydrophobicContact CD1-CD2 4.08Å; L220-F265 HydrophobicContact CD1-CE1 3.88Å; L220-F265 HydrophobicContact CD1-CE2 3.55Å; L220-F265 HydrophobicContact CD1-CG 4.47Å; L220-F265 HydrophobicContact CD1-CZ 3.44Å; L220-F265 VanDerWaalsContact CD1-CZ 3.44Å; M236-F265 HydrophobicContact CE-CZ 4.22Å; M236-F265 HydrophobicContact SD-CE1 4.39Å; M236-F265 HydrophobicContact SD-CZ 3.81Å; I252-F265 WeakPolarHBondContact CA-O 3.4Å; F253-F265 HydrophobicContact CD1-CB 4.02Å; F253-F265 HydrophobicContact CD2-CB 4.4Å; F253-F265 HydrophobicContact CD2-CD2 4.45Å; F253-F265 HydrophobicContact CE1-CB 3.38Å; F253-F265 HydrophobicContact CE1-CG 4.27Å; F253-F265 HydrophobicContact CE2-CB 3.82Å; F253-F265 AromaticContact CE2-CD2 3.64Å; F253-F265 HydrophobicContact CE2-CD2 3.64Å; F253-F265 HydrophobicContact CE2-CG 4.02Å; F253-F265 HydrophobicContact CG-CB 4.49Å; F253-F265 HydrophobicContact CZ-CB 3.28Å; F253-F265 AromaticContact CZ-CD2 3.79Å; F253-F265 HydrophobicContact CZ-CD2 3.79Å; F253-F265 AromaticContact CZ-CG 3.67Å; F253-F265 HydrophobicContact CZ-CG 3.67Å; F253-F265 PolarHBondContact N-O 2.84Å; F253-F265 PolarHBondContact O-N 2.75Å; A255-F265 HydrophobicContact CB-CE2 4.33Å; Y263-F265 HydrophobicContact CG-CE2 4.46Å; F265-P273 HydrophobicContact CD1-CB 4.23Å; F265-P273 HydrophobicContact CE1-CB 3.88Å; F265-P273 HydrophobicContact CE1-CG 4.32Å; F265-P273 HydrophobicContact CE2-CB 4.41Å; F265-P273 HydrophobicContact CZ-CB 3.97Å; F265-P273 HydrophobicContact CZ-CG 4.41Å
266	D	94.7	Very high	94.4	Very high	19 Å²	19	44 Å²	44	10%	0.102	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.4	168.3	-176.2	-22.8	0	0	0	107.7	F251 R268 F269 F270	F251-D266 CarbonylContact O-C 3.35Å; F251-D266 VanDerWaalsContact O-CA 3.27Å; F251-D266 WeakPolarHBondContact O-CA 3.16Å; D266-R268 PolarHBondContact O-N 2.85Å; D266-R268 VanDerWaalsContact OD1-CB 3.3Å; D266-R268 WeakPolarHBondContact OD1-CB 3.43Å; D266-R268 PolarHBondContact OD1-N 3.49Å; D266-F269 CarbonylContact O-C 3.58Å; D266-F269 PolarHBondContact O-N 3.21Å; D266-F269 VanDerWaalsContact O-N 3.11Å; D266-F270 WeakPolarHBondContact O-CA 3.44Å; D266-F270 PolarHBondContact O-N 2.64Å
267	N	92.3	Very high	94.4	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.07	19%	0.188	C	C	.	.	S	Bend	trans	-58.7	-32	-180	-72.2	-5.4	0	0	0	112.7	L222 W245 F251 F253 F269 F270	L222-N267 HydrophobicContact CD2-CB 4.38Å; W245-N267 WeakPolarHBondContact CH2-ND2 3.28Å; W245-N267 WeakPolarHBondContact CZ3-ND2 3.33Å; F251-N267 PolarHBondContact O-N 2.89Å; F253-N267 VanDerWaalsContact CD1-OD1 3.24Å; F253-N267 WeakPolarHBondContact CD1-OD1 3.23Å; F253-N267 WeakPolarHBondContact CE1-OD1 3.28Å; N267-F269 VanDerWaalsContact C-N 3.3Å; N267-F269 PolarHBondContact O-N 3.28Å; N267-F270 WeakPolarHBondContact O-CB 3.18Å
268	R	91.6	Very high	94.2	Very high	149 Å²	149	46.7 Å²	46.7	56%	0.562	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-40.7	179.3	-60.3	171.3	178.6	178.7	0	109.7	R232 F251 D266	R232-R268 PolarHBondContact NH1-O 2.81Å; F251-R268 HydrophobicContact CB-CG 4.05Å; F251-R268 VanDerWaalsContact CD1-CZ 3.45Å; F251-R268 VanDerWaalsContact CD1-NH2 3.32Å; D266-R268 PolarHBondContact O-N 2.85Å; D266-R268 VanDerWaalsContact OD1-CB 3.3Å; D266-R268 WeakPolarHBondContact OD1-CB 3.43Å; D266-R268 PolarHBondContact OD1-N 3.49Å
269	F	91	Very high	94	Very high	151 Å²	151	44.2 Å²	44.2	66%	0.662	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	52	179	-58.7	-74.9	0	0	0	112.1	D266 N267 K271	D266-F269 CarbonylContact O-C 3.58Å; D266-F269 PolarHBondContact O-N 3.21Å; D266-F269 VanDerWaalsContact O-N 3.11Å; N267-F269 VanDerWaalsContact C-N 3.3Å; N267-F269 PolarHBondContact O-N 3.28Å; F269-K271 PolarHBondContact O-N 3.25Å
270	F	89.2	Confident	94.1	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.022	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	62	-176.8	-159.4	-102.8	0	0	0	113.1	L220 L222 R232 V234 F253 D266 N267	L220-F270 HydrophobicContact CB-CE1 4.4Å; L220-F270 HydrophobicContact CB-CZ 3.73Å; L222-F270 HydrophobicContact CB-CE1 4.14Å; L222-F270 HydrophobicContact CB-CE2 4.42Å; L222-F270 HydrophobicContact CB-CZ 4.01Å; R232-F270 HydrophobicContact CB-CD1 3.67Å; R232-F270 HydrophobicContact CB-CE1 4.04Å; V234-F270 HydrophobicContact CB-CD1 4.39Å; V234-F270 HydrophobicContact CB-CE1 4.03Å; V234-F270 HydrophobicContact CG2-CD1 3.41Å; V234-F270 VanDerWaalsContact CG2-CD1 3.41Å; V234-F270 HydrophobicContact CG2-CE1 3.53Å; V234-F270 HydrophobicContact CG2-CG 4.24Å; V234-F270 HydrophobicContact CG2-CZ 4.44Å; V234-F270 WeakPolarHBondContact CG2-O 3.27Å; F253-F270 HydrophobicContact CE1-CD2 4.17Å; F253-F270 AromaticContact CE1-CE2 3.68Å; F253-F270 HydrophobicContact CE1-CE2 3.68Å; F253-F270 HydrophobicContact CZ-CD2 4.39Å; F253-F270 AromaticContact CZ-CE2 3.6Å; F253-F270 HydrophobicContact CZ-CE2 3.6Å; F253-F270 HydrophobicContact CZ-CZ 4.49Å; D266-F270 WeakPolarHBondContact O-CA 3.44Å; D266-F270 PolarHBondContact O-N 2.64Å; N267-F270 WeakPolarHBondContact O-CB 3.18Å
271	K	89.8	Confident	94.2	Very high	103 Å²	103	40.1 Å²	40.1	45%	0.448	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-46.5	176.1	-70.2	-169.7	177.2	-176	0	111	F269 Q441	F269-K271 PolarHBondContact O-N 3.25Å; K271-Q441 PolarHBondContact O-NE2 3.18Å
272	F	91.4	Very high	94.2	Very high	67 Å²	67	41.8 Å²	41.8	29%	0.294	19%	0.185	S	C	.	.	S	Bend	trans	-138.5	154.3	-178	-46.8	-75.8	0	0	0	109.4	R274 E435 V438	F272-R274 PolarHBondContact O-N 2.83Å; F272-E435 HydrophobicContact CB-CG 4.19Å; F272-E435 HydrophobicContact CD1-CB 3.86Å; F272-E435 HydrophobicContact CD1-CG 3.68Å; F272-E435 HydrophobicContact CD2-CG 4.12Å; F272-E435 HydrophobicContact CE1-CB 4Å; F272-E435 HydrophobicContact CE1-CG 3.99Å; F272-E435 HydrophobicContact CE2-CG 4.41Å; F272-E435 HydrophobicContact CG-CB 4.42Å; F272-E435 HydrophobicContact CG-CG 3.74Å; F272-E435 HydrophobicContact CZ-CG 4.34Å; F272-V438 HydrophobicContact CD1-CB 4.12Å; F272-V438 HydrophobicContact CD1-CG1 4.42Å; F272-V438 HydrophobicContact CD1-CG2 4Å
273	P	94.3	Very high	94.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	19%	0.19	C	C	.	.			trans	-61.9	135.3	172.6	25.4	-33.4	0	0	0	110.8	Y263 T264 F265 R275 R434	Y263-P273 HydrophobicContact CD1-CB 3.71Å; Y263-P273 HydrophobicContact CD1-CG 3.66Å; Y263-P273 HydrophobicContact CE1-CG 4.19Å; Y263-P273 HydrophobicContact CG-CB 4.31Å; T264-P273 CarbonylContact O-C 3.59Å; T264-P273 VanDerWaalsContact O-CA 3.24Å; T264-P273 WeakPolarHBondContact O-CA 3.4Å; T264-P273 WeakPolarHBondContact O-CB 3.41Å; F265-P273 HydrophobicContact CD1-CB 4.23Å; F265-P273 HydrophobicContact CE1-CB 3.88Å; F265-P273 HydrophobicContact CE1-CG 4.32Å; F265-P273 HydrophobicContact CE2-CB 4.41Å; F265-P273 HydrophobicContact CZ-CB 3.97Å; F265-P273 HydrophobicContact CZ-CG 4.41Å; P273-R275 VanDerWaalsContact C-N 3.33Å; P273-R434 VanDerWaalsContact CD-O 3.23Å; P273-R434 WeakPolarHBondContact CD-O 3.37Å; P273-R434 HydrophobicContact CG-CB 4.29Å; P273-R434 WeakPolarHBondContact CG-O 3.31Å
274	R	94.1	Very high	94.3	Very high	118 Å²	118	42.4 Å²	42.4	45%	0.445	19%	0.19	S	C	.	.	S	Bend	trans	-64.1	-38.9	174.6	-179.4	176.2	173.8	-170.7	-5.3	111.3	T264 F272	T264-R274 HydrophobicContact CG2-CB 4.49Å; T264-R274 PolarHBondContact O-N 2.93Å; F272-R274 PolarHBondContact O-N 2.83Å
275	R	94.6	Very high	94.4	Very high	67 Å²	67	43.9 Å²	43.9	25%	0.253	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.4	-175.5	-171.8	171.1	-81.2	143.8	-5.9	110.7	T264 P273 Y277 C310 T313	T264-R275 PolarHBondContact N-O 2.86Å; T264-R275 PolarHBondContact O-N 3Å; P273-R275 VanDerWaalsContact C-N 3.33Å; R275-Y277 HydrophobicContact CG-CE1 4.34Å; R275-Y277 HydrophobicContact CG-CE2 4.44Å; R275-C310 PolarHBondContact NH1-O 3.38Å; R275-T313 HydrophobicContact CG-CG2 3.7Å
276	V	95.5	Very high	94.5	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.3	175.3	-171.2	0	0	0	0	108.3	N261 V262 Y263 R278 R434	N261-V276 HydrophobicContact CB-CG1 3.88Å; V262-V276 WeakPolarHBondContact O-CA 3.47Å; Y263-V276 HydrophobicContact CD1-CB 4.36Å; Y263-V276 HydrophobicContact CD1-CG1 4.13Å; Y263-V276 HydrophobicContact CD1-CG2 3.79Å; Y263-V276 HydrophobicContact CE1-CB 4.18Å; Y263-V276 HydrophobicContact CE1-CG1 3.64Å; Y263-V276 HydrophobicContact CE1-CG2 3.59Å; V276-R278 HydrophobicContact CG1-CG 4.08Å; V276-R434 HydrophobicContact CG2-CB 4.22Å
277	Y	96.6	Very high	94.6	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130	172.9	-53	-91.5	0	0	0	109.3	T254 V262 T264 R275 F296 W308 C310 S312	T254-Y277 HydrophobicContact CG2-CE2 4.13Å; V262-Y277 HydrophobicContact CB-CD2 4.13Å; V262-Y277 HydrophobicContact CG1-CD2 4.15Å; V262-Y277 PolarHBondContact N-O 3.1Å; V262-Y277 WeakPolarHBondContact O-CD2 3.33Å; V262-Y277 PolarHBondContact O-N 2.72Å; T264-Y277 WeakPolarHBondContact OG1-CE2 3.45Å; T264-Y277 PolarHBondContact OG1-OH 2.96Å; R275-Y277 HydrophobicContact CG-CE1 4.34Å; R275-Y277 HydrophobicContact CG-CE2 4.44Å; Y277-F296 HydrophobicContact CD1-CE1 4.35Å; Y277-F296 AromaticContact CD1-CZ 3.75Å; Y277-F296 HydrophobicContact CD1-CZ 3.75Å; Y277-F296 HydrophobicContact CD2-CE1 4.42Å; Y277-F296 HydrophobicContact CD2-CE2 4.31Å; Y277-F296 AromaticContact CD2-CZ 3.56Å; Y277-F296 HydrophobicContact CD2-CZ 3.56Å; Y277-F296 AromaticContact CE1-CE1 3.74Å; Y277-F296 HydrophobicContact CE1-CE1 3.74Å; Y277-F296 AromaticContact CE1-CZ 3.59Å; Y277-F296 HydrophobicContact CE1-CZ 3.59Å; Y277-F296 AromaticContact CE2-CE1 3.77Å; Y277-F296 HydrophobicContact CE2-CE1 3.77Å; Y277-F296 HydrophobicContact CE2-CE2 4.34Å; Y277-F296 AromaticContact CE2-CZ 3.33Å; Y277-F296 HydrophobicContact CE2-CZ 3.33Å; Y277-F296 AromaticContact CG-CZ 3.76Å; Y277-F296 HydrophobicContact CG-CZ 3.76Å; Y277-F296 AromaticContact CZ-CE1 3.43Å; Y277-F296 VanDerWaalsContact CZ-CE1 3.43Å; Y277-F296 AromaticContact CZ-CZ 3.39Å; Y277-W308 HydrophobicContact CD1-CB 4.49Å; Y277-W308 HydrophobicContact CD1-CD2 4.3Å; Y277-W308 AromaticContact CD1-CE3 3.82Å; Y277-W308 HydrophobicContact CD1-CE3 3.82Å; Y277-W308 HydrophobicContact CD1-CZ3 4.48Å; Y277-W308 HydrophobicContact CG-CD2 4.49Å; Y277-W308 HydrophobicContact CG-CE3 4.19Å; Y277-C310 PolarHBondContact OH-O 3.08Å; Y277-S312 WeakPolarHBondContact CD1-O 3.17Å; Y277-S312 WeakPolarHBondContact CE1-O 3.13Å
278	R	93.1	Very high	94.9	Very high	57 Å²	57	43.6 Å²	43.6	22%	0.215	20%	0.196	C	C	.	.			trans	-122.6	135.2	-172.4	-67.6	-176.7	161.4	177.6	1.9	109.4	V276 T313 D433	V276-R278 HydrophobicContact CG1-CG 4.08Å; R278-T313 PolarHBondContact N-O 2.87Å; R278-D433 IonicContact CZ-OD2 3.14Å; R278-D433 IonicContact NH1-OD2 2.69Å; R278-D433 PolarHBondContact NH1-OD2 3.04Å; R278-D433 IonicContact NH2-OD2 2.97Å; R278-D433 PolarHBondContact NH2-OD2 3.2Å
279	G	92.4	Very high	95.2	Very high	20 Å²	20	37 Å²	37	21%	0.206	17%	0.171	C	C	.	.			trans	159.3	-20	158.4	0	0	0	0	0	114.3	R306	G279-R306 PolarHBondContact O-NH1 2.84Å; G279-R306 PolarHBondContact O-NH2 3.14Å
280	H	97.1	Very high	95.5	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.028	14%	0.142	C	C	.	.			trans	-57.7	150	168.9	-79	-66.6	0	0	0	109.7	Y260 V284 T298 S300 D302 T304 R306	Y260-H280 WeakPolarHBondContact O-CB 3.42Å; H280-V284 HydrophobicContact CB-CG2 3.98Å; H280-T298 PolarHBondContact NE2-OG1 3.45Å; H280-S300 WeakPolarHBondContact CE1-CB 3.38Å; H280-S300 WeakPolarHBondContact ND1-CB 3.04Å; H280-S300 PolarHBondContact ND1-OG 2.96Å; H280-D302 WeakPolarHBondContact CA-OD2 3.3Å; H280-D302 IonicContact CE1-OD1 3.69Å; H280-D302 IonicContact CG-OD2 3.98Å; H280-D302 IonicContact ND1-OD1 3.54Å; H280-D302 PolarHBondContact ND1-OD1 2.81Å; H280-D302 IonicContact ND1-OD2 3.91Å; H280-D302 PolarHBondContact ND1-OD2 3.04Å; H280-T304 PolarHBondContact CE1-OG1 2.86Å; H280-T304 PolarHBondContact ND1-OG1 2.85Å; H280-R306 VanDerWaalsContact CE1-CD 3.43Å; H280-R306 WeakPolarHBondContact CE1-CD 3.37Å; H280-R306 WeakPolarHBondContact CE1-CG 3.48Å; H280-R306 PolarHBondContact CE1-NE 2.98Å; H280-R306 PolarHBondContact ND1-NE 3.39Å
281	V	96.4	Very high	95.8	Very high	18 Å²	18	31.5 Å²	31.5	11%	0.109	15%	0.151	C	C	.	.	S	Bend	trans	-100.8	-15.7	-177.4	167.6	0	0	0	0	111.1	D302 I399 H406	V281-D302 HydrophobicContact CB-CB 4.22Å; V281-D302 PolarHBondContact N-OD2 3.47Å; V281-D302 VanDerWaalsContact N-OD2 3.08Å; V281-I399 HydrophobicContact CG2-CG2 3.84Å; V281-H406 PolarHBondContact O-CE1 3.01Å
282	N	97.3	Very high	96.1	Very high	56 Å²	56	29.8 Å²	29.8	30%	0.299	15%	0.15	S	C	.	.	S	Bend	trans	-142	177.2	179.4	-150.6	-28.8	0	0	0	109.5	Y260 V284 S300 Y301 D302	Y260-N282 WeakPolarHBondContact CA-O 3.04Å; N282-V284 PolarHBondContact O-N 3.18Å; N282-S300 PolarHBondContact O-OG 3.34Å; N282-Y301 HydrophobicContact CB-CD1 4.34Å; N282-Y301 VanDerWaalsContact ND2-CD1 3.25Å; N282-Y301 WeakPolarHBondContact ND2-CD1 3.24Å; N282-D302 HydrophobicContact CB-CB 3.91Å
283	A	97.8	Very high	96.3	Very high	13 Å²	13	27 Å²	27	11%	0.107	14%	0.139	C	C	.	.			trans	-52	132.3	-172	0	0	0	0	0	111.6	Y260 S300 Y301	Y260-A283 VanDerWaalsContact CD1-N 3.3Å; A283-S300 WeakPolarHBondContact O-CA 3.02Å; A283-S300 PolarHBondContact O-OG 2.7Å; A283-Y301 WeakPolarHBondContact O-CB 3.1Å; A283-Y301 PolarHBondContact O-N 3.02Å
284	V	98.5	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.2	173.7	-169.3	0	0	0	0	107	N241 A256 S257 V262 H280 N282 V287 G299	N241-V284 WeakPolarHBondContact CB-O 3.32Å; N241-V284 PolarHBondContact ND2-O 2.84Å; A256-V284 HydrophobicContact CB-CB 3.96Å; A256-V284 HydrophobicContact CB-CG1 3.77Å; A256-V284 WeakPolarHBondContact CB-O 3.3Å; S257-V284 PolarHBondContact O-N 3.06Å; V262-V284 HydrophobicContact CG2-CB 4.17Å; V262-V284 HydrophobicContact CG2-CG1 3.88Å; V262-V284 HydrophobicContact CG2-CG2 3.86Å; H280-V284 HydrophobicContact CB-CG2 3.98Å; N282-V284 PolarHBondContact O-N 3.18Å; V284-V287 HydrophobicContact CG1-CG2 4.34Å; V284-G299 WeakPolarHBondContact CG1-O 3.16Å
285	L	98.1	Very high	96.5	Very high	36 Å²	36	32 Å²	32	19%	0.188	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-38.3	-172.9	-63.4	-178	0	0	0	111.7	N241 G299 Y301 V327 L328	N241-L285 WeakPolarHBondContact CB-O 3.32Å; L285-G299 PolarHBondContact N-O 2.83Å; L285-Y301 HydrophobicContact CD1-CD2 4.25Å; L285-V327 WeakPolarHBondContact CD1-O 3.28Å; L285-L328 HydrophobicContact CD1-CD2 3.84Å
286	D	98.2	Very high	96.7	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.07	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.2	-178.6	-160.3	23.1	0	0	0	114.1	S242 T298 G299 L328 V329 V330	S242-D286 WeakPolarHBondContact CB-OD1 3.4Å; S242-D286 VanDerWaalsContact OG-CA 3.28Å; S242-D286 WeakPolarHBondContact OG-CA 3.3Å; S242-D286 PolarHBondContact OG-OD1 2.8Å; D286-T298 CarbonylContact O-C 3.51Å; D286-T298 VanDerWaalsContact O-CA 3.29Å; D286-T298 WeakPolarHBondContact O-CA 3.28Å; D286-G299 PolarHBondContact N-O 2.91Å; D286-G299 PolarHBondContact O-N 2.81Å; D286-L328 WeakPolarHBondContact CB-O 3.42Å; D286-V329 WeakPolarHBondContact OD2-CA 3.49Å; D286-V329 WeakPolarHBondContact OD2-CG1 3.44Å; D286-V330 PolarHBondContact OD2-N 2.82Å
287	V	98.3	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.8	178.9	174.3	0	0	0	0	109.1	S242 S244 T254 A256 V262 V284 F296 V297 T298	S242-V287 PolarHBondContact OG-N 3.01Å; S244-V287 VanDerWaalsContact CB-O 3.3Å; S244-V287 WeakPolarHBondContact CB-O 3.47Å; T254-V287 VanDerWaalsContact OG1-CG1 3.27Å; T254-V287 WeakPolarHBondContact OG1-CG1 3.31Å; A256-V287 HydrophobicContact CB-CG2 3.54Å; V262-V287 HydrophobicContact CG1-CG2 3.89Å; V262-V287 HydrophobicContact CG2-CG2 4.43Å; V284-V287 HydrophobicContact CG1-CG2 4.34Å; V287-F296 HydrophobicContact CG1-CD2 3.99Å; V287-V297 CarbonylContact C-O 3.55Å; V287-V297 WeakPolarHBondContact CA-O 3.32Å; V287-T298 HydrophobicContact CB-CG2 4.26Å; V287-T298 HydrophobicContact CG1-CG2 4.15Å; V287-T298 HydrophobicContact CG2-CG2 3.56Å
288	D	98.2	Very high	96.9	Very high	14 Å²	14	28 Å²	28	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	136.4	174.7	-159.7	53.7	0	0	0	111.6	F296 V297 V330 K331 V332	D288-F296 CarbonylContact O-C 3.59Å; D288-F296 VanDerWaalsContact O-CA 3.3Å; D288-F296 WeakPolarHBondContact O-CA 3.47Å; D288-F296 WeakPolarHBondContact O-CB 3.41Å; D288-V297 PolarHBondContact N-O 2.96Å; D288-V297 PolarHBondContact O-N 3.19Å; D288-V330 WeakPolarHBondContact CB-O 3.3Å; D288-K331 HydrophobicContact CB-CD 4.32Å; D288-K331 IonicContact OD1-NZ 3.58Å; D288-K331 PolarHBondContact OD1-NZ 3.1Å; D288-K331 WeakPolarHBondContact OD2-CA 3.28Å; D288-K331 VanDerWaalsContact OD2-CD 3.28Å; D288-K331 WeakPolarHBondContact OD2-CD 3.18Å; D288-K331 IonicContact OD2-NZ 2.89Å; D288-V332 PolarHBondContact OD2-N 3.32Å
289	Y	98.3	Very high	97.2	Very high	11 Å²	11	25.3 Å²	25.3	4%	0.043	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	147.7	177.2	-88	-84.2	0	0	0	111.9	S244 W245 N246 T254 F296	S244-Y289 VanDerWaalsContact O-CE2 3.22Å; S244-Y289 WeakPolarHBondContact O-CE2 3.31Å; W245-Y289 VanDerWaalsContact C-CD2 3.41Å; W245-Y289 WeakPolarHBondContact O-CD2 3.14Å; N246-Y289 HydrophobicContact CB-CD1 4.28Å; N246-Y289 HydrophobicContact CB-CD2 4.47Å; N246-Y289 HydrophobicContact CB-CE1 3.94Å; N246-Y289 HydrophobicContact CB-CE2 4.12Å; T254-Y289 HydrophobicContact CG2-CE2 4.15Å; T254-Y289 WeakPolarHBondContact CG2-OH 3.41Å; T254-Y289 WeakPolarHBondContact OG1-CE2 3.13Å; T254-Y289 PolarHBondContact OG1-OH 3.01Å; Y289-F296 HydrophobicContact CD1-CB 3.74Å; Y289-F296 HydrophobicContact CE1-CB 4.01Å; Y289-F296 HydrophobicContact CE1-CD1 4.02Å; Y289-F296 HydrophobicContact CE1-CG 4.33Å; Y289-F296 HydrophobicContact CG-CB 4.02Å
290	S	97	Very high	97.5	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.042	12%	0.123	C	C	.	.			trans	-65.2	148.3	161.5	69.8	0	0	0	0	109.6	P247 T292 G293 E295	P247-S290 VanDerWaalsContact CG-O 3.29Å; P247-S290 WeakPolarHBondContact CG-O 3.26Å; S290-T292 PolarHBondContact O-N 2.97Å; S290-T292 PolarHBondContact OG-OG1 3.27Å; S290-G293 PolarHBondContact O-N 3.39Å; S290-E295 WeakPolarHBondContact CB-O 3.45Å; S290-E295 PolarHBondContact N-O 3.45Å; S290-E295 PolarHBondContact OG-N 2.9Å; S290-E295 PolarHBondContact OG-O 3.05Å
291	P	95.7	Very high	97.5	Very high	34 Å²	34	28 Å²	28	22%	0.221	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.8	176.3	27.3	-36	0	0	0	112.3	M248 G293 L334 A336	M248-P291 WeakPolarHBondContact CE-O 3.06Å; P291-G293 VanDerWaalsContact C-N 3.3Å; P291-L334 WeakPolarHBondContact CG-O 3.48Å; P291-A336 HydrophobicContact CG-CB 3.8Å
292	T	95.2	Very high	97.5	Very high	67 Å²	67	27.9 Å²	27.9	41%	0.411	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.4	172.9	60.1	0	0	0	0	113.8	M248 S290 R294 A336	M248-T292 WeakPolarHBondContact CG-O 3.44Å; S290-T292 PolarHBondContact O-N 2.97Å; S290-T292 PolarHBondContact OG-OG1 3.27Å; T292-R294 PolarHBondContact O-N 3.21Å; T292-R294 VanDerWaalsContact O-N 3.09Å; T292-A336 HydrophobicContact CG2-CB 4.05Å
293	G	95.9	Very high	97.5	Very high	7 Å²	7	26.7 Å²	26.7	7%	0.072	13%	0.132	C	C	.	.	S	Bend	trans	67.9	2.3	179.9	0	0	0	0	0	115.8	N246 S290 P291 C310	N246-G293 PolarHBondContact ND2-O 2.53Å; N246-G293 VanDerWaalsContact ND2-O 3.17Å; N246-G293 WeakPolarHBondContact OD1-CA 3.37Å; S290-G293 PolarHBondContact O-N 3.39Å; P291-G293 VanDerWaalsContact C-N 3.3Å; G293-C310 PolarHBondContact O-SG 3.12Å
294	R	96	Very high	97.5	Very high	194 Å²	194	26.1 Å²	26.1	73%	0.732	13%	0.127	S	C	*	.	S	Bend	trans	-92.3	-22.4	-177.7	-66.3	-178.3	-177.9	-177.1	-0.6	113.4	T292 C310	T292-R294 PolarHBondContact O-N 3.21Å; T292-R294 VanDerWaalsContact O-N 3.09Å; R294-C310 PolarHBondContact O-N 3Å; R294-C310 PolarHBondContact O-SG 2.89Å
295	E	97.3	Very high	97.5	Very high	31 Å²	31	26.1 Å²	26.1	15%	0.145	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.9	-174.3	-58.5	-171.8	163.8	0	0	109.6	S290 W308 K309 F316 H354	S290-E295 WeakPolarHBondContact CB-O 3.45Å; S290-E295 PolarHBondContact N-O 3.45Å; S290-E295 PolarHBondContact OG-N 2.9Å; S290-E295 PolarHBondContact OG-O 3.05Å; E295-W308 WeakPolarHBondContact CA-O 3.48Å; E295-W308 WeakPolarHBondContact CB-O 3.41Å; E295-K309 HydrophobicContact CG-CG 4.31Å; E295-F316 HydrophobicContact CG-CE1 4.31Å; E295-F316 WeakPolarHBondContact OE2-CZ 3.38Å; E295-H354 IonicContact OE1-CE1 3.98Å; E295-H354 IonicContact OE2-CE1 2.68Å; E295-H354 PolarHBondContact OE2-CE1 2.86Å; E295-H354 IonicContact OE2-NE2 3.75Å
296	F	98.1	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.4	173.5	65.2	-87.5	0	0	0	109.4	T254 V262 Y277 V287 D288 Y289 T298 W308	T254-F296 HydrophobicContact CG2-CE1 4.5Å; T254-F296 HydrophobicContact CG2-CZ 4.49Å; V262-F296 HydrophobicContact CG1-CE2 4.13Å; Y277-F296 HydrophobicContact CD1-CE1 4.35Å; Y277-F296 AromaticContact CD1-CZ 3.75Å; Y277-F296 HydrophobicContact CD1-CZ 3.75Å; Y277-F296 HydrophobicContact CD2-CE1 4.42Å; Y277-F296 HydrophobicContact CD2-CE2 4.31Å; Y277-F296 AromaticContact CD2-CZ 3.56Å; Y277-F296 HydrophobicContact CD2-CZ 3.56Å; Y277-F296 AromaticContact CE1-CE1 3.74Å; Y277-F296 HydrophobicContact CE1-CE1 3.74Å; Y277-F296 AromaticContact CE1-CZ 3.59Å; Y277-F296 HydrophobicContact CE1-CZ 3.59Å; Y277-F296 AromaticContact CE2-CE1 3.77Å; Y277-F296 HydrophobicContact CE2-CE1 3.77Å; Y277-F296 HydrophobicContact CE2-CE2 4.34Å; Y277-F296 AromaticContact CE2-CZ 3.33Å; Y277-F296 HydrophobicContact CE2-CZ 3.33Å; Y277-F296 AromaticContact CG-CZ 3.76Å; Y277-F296 HydrophobicContact CG-CZ 3.76Å; Y277-F296 AromaticContact CZ-CE1 3.43Å; Y277-F296 VanDerWaalsContact CZ-CE1 3.43Å; Y277-F296 AromaticContact CZ-CZ 3.39Å; V287-F296 HydrophobicContact CG1-CD2 3.99Å; D288-F296 CarbonylContact O-C 3.59Å; D288-F296 VanDerWaalsContact O-CA 3.3Å; D288-F296 WeakPolarHBondContact O-CA 3.47Å; D288-F296 WeakPolarHBondContact O-CB 3.41Å; Y289-F296 HydrophobicContact CD1-CB 3.74Å; Y289-F296 HydrophobicContact CE1-CB 4.01Å; Y289-F296 HydrophobicContact CE1-CD1 4.02Å; Y289-F296 HydrophobicContact CE1-CG 4.33Å; Y289-F296 HydrophobicContact CG-CB 4.02Å; F296-T298 HydrophobicContact CD2-CG2 3.73Å; F296-T298 HydrophobicContact CE2-CG2 3.7Å; F296-W308 HydrophobicContact CD1-CB 4.02Å; F296-W308 HydrophobicContact CD2-CB 4.09Å; F296-W308 AromaticContact CD2-CD1 3.73Å; F296-W308 HydrophobicContact CD2-CG 4.17Å; F296-W308 HydrophobicContact CE1-CB 3.5Å; F296-W308 VanDerWaalsContact CE1-CB 3.5Å; F296-W308 HydrophobicContact CE1-CG 4.29Å; F296-W308 HydrophobicContact CE2-CB 3.58Å; F296-W308 AromaticContact CE2-CD1 3.3Å; F296-W308 HydrophobicContact CE2-CD2 4.37Å; F296-W308 AromaticContact CE2-CG 3.48Å; F296-W308 HydrophobicContact CE2-CG 3.48Å; F296-W308 VanDerWaalsContact CE2-CG 3.48Å; F296-W308 HydrophobicContact CG-CB 4.28Å; F296-W308 HydrophobicContact CZ-CB 3.24Å; F296-W308 AromaticContact CZ-CD1 3.88Å; F296-W308 HydrophobicContact CZ-CD2 4.35Å; F296-W308 AromaticContact CZ-CG 3.54Å; F296-W308 HydrophobicContact CZ-CG 3.54Å; F296-W308 PolarHBondContact N-O 2.8Å; F296-W308 PolarHBondContact O-N 2.86Å
297	V	98.4	Very high	97.4	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.036	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144	-175.6	-169.1	0	0	0	0	109.3	V287 D288 I305 R306 L307 V330 V332 V339	V287-V297 CarbonylContact C-O 3.55Å; V287-V297 WeakPolarHBondContact CA-O 3.32Å; D288-V297 PolarHBondContact N-O 2.96Å; D288-V297 PolarHBondContact O-N 3.19Å; V297-I305 HydrophobicContact CG1-CG2 3.28Å; V297-R306 CarbonylContact C-O 3.53Å; V297-R306 VanDerWaalsContact CA-O 3.31Å; V297-R306 WeakPolarHBondContact CA-O 3.27Å; V297-R306 WeakPolarHBondContact CG1-O 3.45Å; V297-L307 HydrophobicContact CG1-CG 4.06Å; V297-L307 HydrophobicContact CG2-CD2 4Å; V297-L307 HydrophobicContact CG2-CG 3.88Å; V297-V330 HydrophobicContact CB-CG1 3.81Å; V297-V330 HydrophobicContact CG1-CG1 3.55Å; V297-V332 HydrophobicContact CB-CG2 4.22Å; V297-V332 HydrophobicContact CG2-CG2 3.59Å; V297-V339 HydrophobicContact CB-CG1 4.45Å; V297-V339 HydrophobicContact CG1-CG1 3.86Å; V297-V339 HydrophobicContact CG2-CG1 4.42Å; V297-V339 HydrophobicContact CG2-CG2 3.9Å
298	T	98.7	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.1	-179	65.6	0	0	0	0	111	V262 H280 D286 V287 F296 I305 R306 W308	V262-T298 HydrophobicContact CG1-CG2 4.39Å; V262-T298 HydrophobicContact CG2-CG2 4.02Å; H280-T298 PolarHBondContact NE2-OG1 3.45Å; D286-T298 CarbonylContact O-C 3.51Å; D286-T298 VanDerWaalsContact O-CA 3.29Å; D286-T298 WeakPolarHBondContact O-CA 3.28Å; V287-T298 HydrophobicContact CB-CG2 4.26Å; V287-T298 HydrophobicContact CG1-CG2 4.15Å; V287-T298 HydrophobicContact CG2-CG2 3.56Å; F296-T298 HydrophobicContact CD2-CG2 3.73Å; F296-T298 HydrophobicContact CE2-CG2 3.7Å; T298-I305 CarbonylContact O-C 3.35Å; T298-I305 VanDerWaalsContact O-CA 3.29Å; T298-I305 WeakPolarHBondContact O-CA 3.34Å; T298-R306 PolarHBondContact N-O 3.05Å; T298-R306 PolarHBondContact O-N 3.06Å; T298-W308 PolarHBondContact OG1-NE1 3.04Å
299	G	98	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.1	175	0	0	0	0	0	110.1	V284 L285 D286 V330	V284-G299 WeakPolarHBondContact CG1-O 3.16Å; L285-G299 PolarHBondContact N-O 2.83Å; D286-G299 PolarHBondContact N-O 2.91Å; D286-G299 PolarHBondContact O-N 2.81Å; G299-V330 VanDerWaalsContact CA-CG2 3.49Å
300	S	98.2	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.1	-172.4	151.5	0	0	0	0	112.7	H280 N282 A283 D302 S303 T304 V327	H280-S300 WeakPolarHBondContact CE1-CB 3.38Å; H280-S300 WeakPolarHBondContact ND1-CB 3.04Å; H280-S300 PolarHBondContact ND1-OG 2.96Å; N282-S300 PolarHBondContact O-OG 3.34Å; A283-S300 WeakPolarHBondContact O-CA 3.02Å; A283-S300 PolarHBondContact O-OG 2.7Å; S300-D302 WeakPolarHBondContact CB-OD1 3.2Å; S300-D302 PolarHBondContact O-N 2.9Å; S300-D302 PolarHBondContact OG-N 3.14Å; S300-D302 PolarHBondContact OG-OD1 3.15Å; S300-S303 PolarHBondContact O-N 2.79Å; S300-S303 VanDerWaalsContact O-N 3.12Å; S300-T304 PolarHBondContact N-O 2.76Å; S300-V327 PolarHBondContact O-N 3.46Å
301	Y	97.7	Very high	96.9	Very high	83 Å²	83	34.3 Å²	34.3	33%	0.325	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.9	172.5	-162.8	-82.3	0	0	0	112.6	N282 A283 L285 S303 R326	N282-Y301 HydrophobicContact CB-CD1 4.34Å; N282-Y301 VanDerWaalsContact ND2-CD1 3.25Å; N282-Y301 WeakPolarHBondContact ND2-CD1 3.24Å; A283-Y301 WeakPolarHBondContact O-CB 3.1Å; A283-Y301 PolarHBondContact O-N 3.02Å; L285-Y301 HydrophobicContact CD1-CD2 4.25Å; Y301-S303 PolarHBondContact O-N 2.86Å; Y301-R326 HydrophobicContact CD1-CG 4.01Å; Y301-R326 HydrophobicContact CD2-CB 4.16Å; Y301-R326 HydrophobicContact CD2-CG 3.73Å; Y301-R326 HydrophobicContact CE1-CG 4.16Å; Y301-R326 HydrophobicContact CE2-CG 3.88Å; Y301-R326 VanDerWaalsContact CE2-NE 3.32Å; Y301-R326 HydrophobicContact CG-CB 4.36Å; Y301-R326 HydrophobicContact CG-CG 3.84Å; Y301-R326 PolarHBondContact OH-NE 2.82Å; Y301-R326 PolarHBondContact OH-NH1 3.44Å; Y301-R326 PolarHBondContact OH-NH2 2.76Å
302	D	96.9	Very high	96.8	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	4.9	171.5	74.2	-2.8	0	0	0	114	H280 V281 N282 S300 T304 R306 I399	H280-D302 WeakPolarHBondContact CA-OD2 3.3Å; H280-D302 IonicContact CE1-OD1 3.69Å; H280-D302 IonicContact CG-OD2 3.98Å; H280-D302 IonicContact ND1-OD1 3.54Å; H280-D302 PolarHBondContact ND1-OD1 2.81Å; H280-D302 IonicContact ND1-OD2 3.91Å; H280-D302 PolarHBondContact ND1-OD2 3.04Å; V281-D302 HydrophobicContact CB-CB 4.22Å; V281-D302 PolarHBondContact N-OD2 3.47Å; V281-D302 VanDerWaalsContact N-OD2 3.08Å; N282-D302 HydrophobicContact CB-CB 3.91Å; S300-D302 WeakPolarHBondContact CB-OD1 3.2Å; S300-D302 PolarHBondContact O-N 2.9Å; S300-D302 PolarHBondContact OG-N 3.14Å; S300-D302 PolarHBondContact OG-OD1 3.15Å; D302-T304 VanDerWaalsContact C-N 3.27Å; D302-T304 VanDerWaalsContact CG-OG1 3.24Å; D302-T304 PolarHBondContact O-N 3.29Å; D302-T304 WeakPolarHBondContact OD1-CB 3.43Å; D302-T304 PolarHBondContact OD1-N 3.08Å; D302-T304 VanDerWaalsContact OD1-N 3.09Å; D302-T304 PolarHBondContact OD1-OG1 2.79Å; D302-T304 PolarHBondContact OD2-OG1 2.95Å; D302-R306 IonicContact OD2-NH2 2.65Å; D302-I399 VanDerWaalsContact O-CD1 3.23Å; D302-I399 WeakPolarHBondContact O-CD1 3.19Å
303	S	97.1	Very high	96.6	Very high	32 Å²	32	34.5 Å²	34.5	22%	0.224	17%	0.169	C	C	.	.	S	Bend	trans	63.4	32.4	179.4	-45.4	0	0	0	0	112.6	S300 Y301 M324 K325 R326	S300-S303 PolarHBondContact O-N 2.79Å; S300-S303 VanDerWaalsContact O-N 3.12Å; Y301-S303 PolarHBondContact O-N 2.86Å; S303-M324 WeakPolarHBondContact O-CE 3.42Å; S303-K325 WeakPolarHBondContact CA-O 3.42Å; S303-K325 VanDerWaalsContact CB-O 3.27Å; S303-K325 WeakPolarHBondContact CB-O 3.17Å; S303-K325 WeakPolarHBondContact OG-CA 3.38Å; S303-K325 PolarHBondContact OG-O 3.05Å; S303-R326 PolarHBondContact OG-N 3.17Å
304	T	97.5	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.			trans	-126.3	150.9	172.6	68.5	0	0	0	0	111.7	H280 S300 D302 V318 H320 I399	H280-T304 PolarHBondContact CE1-OG1 2.86Å; H280-T304 PolarHBondContact ND1-OG1 2.85Å; S300-T304 PolarHBondContact N-O 2.76Å; D302-T304 VanDerWaalsContact C-N 3.27Å; D302-T304 VanDerWaalsContact CG-OG1 3.24Å; D302-T304 PolarHBondContact O-N 3.29Å; D302-T304 WeakPolarHBondContact OD1-CB 3.43Å; D302-T304 PolarHBondContact OD1-N 3.08Å; D302-T304 VanDerWaalsContact OD1-N 3.09Å; D302-T304 PolarHBondContact OD1-OG1 2.79Å; D302-T304 PolarHBondContact OD2-OG1 2.95Å; T304-V318 HydrophobicContact CG2-CG1 4.18Å; T304-H320 HydrophobicContact CG2-CB 4.32Å; T304-I399 HydrophobicContact CG2-CD1 3.2Å
305	I	98	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134	168.1	-57.1	152.3	0	0	0	106.5	V297 T298 V318 Y319 M324 V327 V339 S341 W351	V297-I305 HydrophobicContact CG1-CG2 3.28Å; T298-I305 CarbonylContact O-C 3.35Å; T298-I305 VanDerWaalsContact O-CA 3.29Å; T298-I305 WeakPolarHBondContact O-CA 3.34Å; I305-V318 CarbonylContact O-C 3.42Å; I305-V318 WeakPolarHBondContact O-CA 3.15Å; I305-Y319 PolarHBondContact N-O 2.9Å; I305-Y319 PolarHBondContact O-N 3.25Å; I305-M324 HydrophobicContact CD1-CE 4.16Å; I305-M324 HydrophobicContact CD1-SD 4.23Å; I305-M324 HydrophobicContact CG1-CE 4.24Å; I305-V327 HydrophobicContact CG1-CG1 4.08Å; I305-V327 HydrophobicContact CG1-CG2 4.06Å; I305-V339 HydrophobicContact CG2-CG1 4.36Å; I305-S341 VanDerWaalsContact CD1-OG 3.28Å; I305-S341 WeakPolarHBondContact CD1-OG 3.35Å; I305-W351 HydrophobicContact CD1-CD2 4.35Å; I305-W351 HydrophobicContact CD1-CG 4.5Å; I305-W351 HydrophobicContact CD1-CZ2 3.84Å
306	R	97.9	Very high	96.3	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.049	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.6	178.9	-65.1	-171.2	-172	-158.6	9.8	111	G279 H280 V297 T298 D302 W308 V318	G279-R306 PolarHBondContact O-NH1 2.84Å; G279-R306 PolarHBondContact O-NH2 3.14Å; H280-R306 VanDerWaalsContact CE1-CD 3.43Å; H280-R306 WeakPolarHBondContact CE1-CD 3.37Å; H280-R306 WeakPolarHBondContact CE1-CG 3.48Å; H280-R306 PolarHBondContact CE1-NE 2.98Å; H280-R306 PolarHBondContact ND1-NE 3.39Å; V297-R306 CarbonylContact C-O 3.53Å; V297-R306 VanDerWaalsContact CA-O 3.31Å; V297-R306 WeakPolarHBondContact CA-O 3.27Å; V297-R306 WeakPolarHBondContact CG1-O 3.45Å; T298-R306 PolarHBondContact N-O 3.05Å; T298-R306 PolarHBondContact O-N 3.06Å; D302-R306 IonicContact OD2-NH2 2.65Å; R306-W308 HydrophobicContact CB-CZ2 3.74Å; R306-W308 HydrophobicContact CG-CZ2 4.38Å; R306-W308 PolarHBondContact O-NE1 3.48Å; R306-V318 HydrophobicContact CG-CB 4.41Å; R306-V318 HydrophobicContact CG-CG1 4.01Å; R306-V318 HydrophobicContact CG-CG2 4.01Å
307	L	97.9	Very high	96.1	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.9	179.6	-62.3	88.4	0	0	0	109	V297 S315 F316 D317 Y319 V339 A353	V297-L307 HydrophobicContact CG1-CG 4.06Å; V297-L307 HydrophobicContact CG2-CD2 4Å; V297-L307 HydrophobicContact CG2-CG 3.88Å; L307-S315 CarbonylContact O-C 3.45Å; L307-S315 WeakPolarHBondContact O-CA 3.4Å; L307-S315 WeakPolarHBondContact O-CB 3.47Å; L307-F316 VanDerWaalsContact C-CE1 3.5Å; L307-F316 HydrophobicContact CB-CD1 4.22Å; L307-F316 HydrophobicContact CB-CD2 4.48Å; L307-F316 HydrophobicContact CB-CE1 3.58Å; L307-F316 HydrophobicContact CB-CE2 3.84Å; L307-F316 HydrophobicContact CB-CZ 3.37Å; L307-F316 HydrophobicContact CD2-CE2 4.32Å; L307-F316 HydrophobicContact CD2-CZ 3.97Å; L307-F316 HydrophobicContact CG-CZ 4.34Å; L307-F316 VanDerWaalsContact O-CD1 3.28Å; L307-F316 WeakPolarHBondContact O-CD1 3.34Å; L307-F316 PolarHBondContact O-N 3.43Å; L307-D317 HydrophobicContact CD1-CB 4.27Å; L307-D317 PolarHBondContact N-O 3.32Å; L307-Y319 HydrophobicContact CD1-CD1 4.48Å; L307-Y319 HydrophobicContact CD1-CD2 3.54Å; L307-Y319 HydrophobicContact CD1-CE1 4.22Å; L307-Y319 HydrophobicContact CD1-CE2 3.23Å; L307-Y319 HydrophobicContact CD1-CG 4.16Å; L307-Y319 HydrophobicContact CD2-CE2 4.05Å; L307-Y319 HydrophobicContact CG-CE2 4.29Å; L307-V339 HydrophobicContact CD2-CG2 4.26Å; L307-A353 WeakPolarHBondContact CD2-O 3.47Å
308	W	97.7	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.9	-170.8	-50.9	87.7	0	0	0	109.2	Y277 E295 F296 T298 R306 T313 E314 S315	Y277-W308 HydrophobicContact CD1-CB 4.49Å; Y277-W308 HydrophobicContact CD1-CD2 4.3Å; Y277-W308 AromaticContact CD1-CE3 3.82Å; Y277-W308 HydrophobicContact CD1-CE3 3.82Å; Y277-W308 HydrophobicContact CD1-CZ3 4.48Å; Y277-W308 HydrophobicContact CG-CD2 4.49Å; Y277-W308 HydrophobicContact CG-CE3 4.19Å; E295-W308 WeakPolarHBondContact CA-O 3.48Å; E295-W308 WeakPolarHBondContact CB-O 3.41Å; F296-W308 HydrophobicContact CD1-CB 4.02Å; F296-W308 HydrophobicContact CD2-CB 4.09Å; F296-W308 AromaticContact CD2-CD1 3.73Å; F296-W308 HydrophobicContact CD2-CG 4.17Å; F296-W308 HydrophobicContact CE1-CB 3.5Å; F296-W308 VanDerWaalsContact CE1-CB 3.5Å; F296-W308 HydrophobicContact CE1-CG 4.29Å; F296-W308 HydrophobicContact CE2-CB 3.58Å; F296-W308 AromaticContact CE2-CD1 3.3Å; F296-W308 HydrophobicContact CE2-CD2 4.37Å; F296-W308 AromaticContact CE2-CG 3.48Å; F296-W308 HydrophobicContact CE2-CG 3.48Å; F296-W308 VanDerWaalsContact CE2-CG 3.48Å; F296-W308 HydrophobicContact CG-CB 4.28Å; F296-W308 HydrophobicContact CZ-CB 3.24Å; F296-W308 AromaticContact CZ-CD1 3.88Å; F296-W308 HydrophobicContact CZ-CD2 4.35Å; F296-W308 AromaticContact CZ-CG 3.54Å; F296-W308 HydrophobicContact CZ-CG 3.54Å; F296-W308 PolarHBondContact N-O 2.8Å; F296-W308 PolarHBondContact O-N 2.86Å; T298-W308 PolarHBondContact OG1-NE1 3.04Å; R306-W308 HydrophobicContact CB-CZ2 3.74Å; R306-W308 HydrophobicContact CG-CZ2 4.38Å; R306-W308 PolarHBondContact O-NE1 3.48Å; W308-T313 VanDerWaalsContact CZ3-O 3.29Å; W308-T313 WeakPolarHBondContact CZ3-O 3.3Å; W308-E314 VanDerWaalsContact CE3-C 3.49Å; W308-S315 VanDerWaalsContact CE3-CA 3.44Å
309	K	96	Very high	95.9	Very high	90 Å²	90	32.5 Å²	32.5	39%	0.391	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.4	163	-64	-169.8	170.8	-163.7	0	107.4	E295 D311 S312 F316	E295-K309 HydrophobicContact CG-CG 4.31Å; K309-D311 PolarHBondContact O-N 2.95Å; K309-D311 VanDerWaalsContact O-N 3.09Å; K309-S312 PolarHBondContact O-N 3.37Å; K309-S312 VanDerWaalsContact O-O 3.12Å; K309-F316 HydrophobicContact CG-CD1 3.72Å; K309-F316 HydrophobicContact CG-CE1 4.09Å
310	C	94.8	Very high	95.8	Very high	14 Å²	14	34.6 Å²	34.6	10%	0.095	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.2	177	-67.6	0	0	0	0	111.1	R275 Y277 G293 R294 S312	R275-C310 PolarHBondContact NH1-O 3.38Å; Y277-C310 PolarHBondContact OH-O 3.08Å; G293-C310 PolarHBondContact O-SG 3.12Å; R294-C310 PolarHBondContact O-N 3Å; R294-C310 PolarHBondContact O-SG 2.89Å; C310-S312 PolarHBondContact O-N 3.16Å
311	D	92.3	Very high	95.7	Very high	133 Å²	133	36.5 Å²	36.5	71%	0.711	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.4	-177.5	-60.4	-43.2	0	0	0	116.2	K309	K309-D311 PolarHBondContact O-N 2.95Å; K309-D311 VanDerWaalsContact O-N 3.09Å
312	S	92.7	Very high	95.4	Very high	35 Å²	35	44.6 Å²	44.6	25%	0.245	22%	0.22	C	C	.	.			trans	-121.2	126	-173.4	177.4	0	0	0	0	111.8	Y277 K309 C310 E314	Y277-S312 WeakPolarHBondContact CD1-O 3.17Å; Y277-S312 WeakPolarHBondContact CE1-O 3.13Å; K309-S312 PolarHBondContact O-N 3.37Å; K309-S312 VanDerWaalsContact O-O 3.12Å; C310-S312 PolarHBondContact O-N 3.16Å; S312-E314 PolarHBondContact O-N 2.91Å; S312-E314 PolarHBondContact OG-N 2.77Å; S312-E314 PolarHBondContact OG-O 3.33Å
313	T	92.4	Very high	95.1	Very high	70 Å²	70	53.8 Å²	53.8	43%	0.429	25%	0.253	S	S	.	.	S	Bend	trans	-73.3	-12.5	175.3	52.7	0	0	0	0	114	R275 R278 W308	R275-T313 HydrophobicContact CG-CG2 3.7Å; R278-T313 PolarHBondContact N-O 2.87Å; W308-T313 VanDerWaalsContact CZ3-O 3.29Å; W308-T313 WeakPolarHBondContact CZ3-O 3.3Å
314	E	92.3	Very high	95	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	25%	0.245	S	C	.	.	S	Bend	trans	-102.1	141.4	175.3	-65.7	-179.3	-179.9	0	0	110.9	W308 S312 K391	W308-E314 VanDerWaalsContact CE3-C 3.49Å; S312-E314 PolarHBondContact O-N 2.91Å; S312-E314 PolarHBondContact OG-N 2.77Å; S312-E314 PolarHBondContact OG-O 3.33Å; E314-K391 IonicContact OE1-NZ 3.9Å; E314-K391 PolarHBondContact OE1-NZ 3.26Å; E314-K391 WeakPolarHBondContact OE2-CE 3.17Å; E314-K391 IonicContact OE2-NZ 3.38Å; E314-K391 PolarHBondContact OE2-NZ 3.28Å
315	S	95.3	Very high	95	Very high	18 Å²	18	58.5 Å²	58.5	13%	0.126	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131	176.4	56.1	0	0	0	0	110.8	L307 W308	L307-S315 CarbonylContact O-C 3.45Å; L307-S315 WeakPolarHBondContact O-CA 3.4Å; L307-S315 WeakPolarHBondContact O-CB 3.47Å; W308-S315 VanDerWaalsContact CE3-CA 3.44Å
316	F	93.8	Very high	94.9	Very high	43 Å²	43	64 Å²	64	19%	0.189	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-19.7	177.9	70.5	-95.9	0	0	0	112.6	E295 L307 K309 H354 R393	E295-F316 HydrophobicContact CG-CE1 4.31Å; E295-F316 WeakPolarHBondContact OE2-CZ 3.38Å; L307-F316 VanDerWaalsContact C-CE1 3.5Å; L307-F316 HydrophobicContact CB-CD1 4.22Å; L307-F316 HydrophobicContact CB-CD2 4.48Å; L307-F316 HydrophobicContact CB-CE1 3.58Å; L307-F316 HydrophobicContact CB-CE2 3.84Å; L307-F316 HydrophobicContact CB-CZ 3.37Å; L307-F316 HydrophobicContact CD2-CE2 4.32Å; L307-F316 HydrophobicContact CD2-CZ 3.97Å; L307-F316 HydrophobicContact CG-CZ 4.34Å; L307-F316 VanDerWaalsContact O-CD1 3.28Å; L307-F316 WeakPolarHBondContact O-CD1 3.34Å; L307-F316 PolarHBondContact O-N 3.43Å; K309-F316 HydrophobicContact CG-CD1 3.72Å; K309-F316 HydrophobicContact CG-CE1 4.09Å; F316-H354 AromaticContact CE2-ND1 3.93Å; F316-R393 PolarHBondContact O-NE 3.24Å; F316-R393 PolarHBondContact O-NH2 2.8Å
317	D	95.1	Very high	94.9	Very high	25 Å²	25	63.3 Å²	63.3	13%	0.134	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.2	169.2	-137.7	-20.9	0	0	0	112.6	L307 Y319 A355	L307-D317 HydrophobicContact CD1-CB 4.27Å; L307-D317 PolarHBondContact N-O 3.32Å; D317-Y319 HydrophobicContact CB-CE1 3.8Å; D317-Y319 WeakPolarHBondContact OD2-CE1 3.17Å; D317-A355 VanDerWaalsContact OD2-CB 3.29Å; D317-A355 WeakPolarHBondContact OD2-CB 3.26Å
318	V	96.1	Very high	94.9	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121.9	178.9	-174.6	0	0	0	0	109.2	T304 I305 R306 R393 L395	T304-V318 HydrophobicContact CG2-CG1 4.18Å; I305-V318 CarbonylContact O-C 3.42Å; I305-V318 WeakPolarHBondContact O-CA 3.15Å; R306-V318 HydrophobicContact CG-CB 4.41Å; R306-V318 HydrophobicContact CG-CG1 4.01Å; R306-V318 HydrophobicContact CG-CG2 4.01Å; V318-R393 HydrophobicContact CG2-CG 4.28Å; V318-L395 HydrophobicContact CB-CD2 4Å; V318-L395 HydrophobicContact CG1-CD2 3.58Å; V318-L395 HydrophobicContact CG2-CD2 4.28Å
319	Y	97.1	Very high	94.8	Very high	2 Å²	2	66 Å²	66	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.1	-179.7	-54.1	-27.5	0	0	0	111.3	P53 I305 L307 D317 W351 K352 A353 A355	P53-Y319 HydrophobicContact CB-CD1 3.42Å; P53-Y319 VanDerWaalsContact CB-CD1 3.42Å; P53-Y319 HydrophobicContact CB-CD2 4.13Å; P53-Y319 HydrophobicContact CB-CE1 3.15Å; P53-Y319 HydrophobicContact CB-CE2 3.9Å; P53-Y319 HydrophobicContact CB-CG 3.92Å; P53-Y319 VanDerWaalsContact CB-CZ 3.41Å; P53-Y319 HydrophobicContact CG-CD1 3.5Å; P53-Y319 HydrophobicContact CG-CE1 3.6Å; P53-Y319 HydrophobicContact CG-CG 4.21Å; I305-Y319 PolarHBondContact N-O 2.9Å; I305-Y319 PolarHBondContact O-N 3.25Å; L307-Y319 HydrophobicContact CD1-CD1 4.48Å; L307-Y319 HydrophobicContact CD1-CD2 3.54Å; L307-Y319 HydrophobicContact CD1-CE1 4.22Å; L307-Y319 HydrophobicContact CD1-CE2 3.23Å; L307-Y319 HydrophobicContact CD1-CG 4.16Å; L307-Y319 HydrophobicContact CD2-CE2 4.05Å; L307-Y319 HydrophobicContact CG-CE2 4.29Å; D317-Y319 HydrophobicContact CB-CE1 3.8Å; D317-Y319 WeakPolarHBondContact OD2-CE1 3.17Å; Y319-W351 HydrophobicContact CD2-CB 3.89Å; Y319-W351 HydrophobicContact CD2-CD2 4.19Å; Y319-W351 HydrophobicContact CD2-CE3 4.14Å; Y319-W351 HydrophobicContact CD2-CG 4.09Å; Y319-W351 HydrophobicContact CE2-CB 4.08Å; Y319-W351 HydrophobicContact CG-CD2 4.48Å; Y319-W351 HydrophobicContact CG-CE3 4.07Å; Y319-K352 WeakPolarHBondContact CE2-O 3.49Å; Y319-K352 PolarHBondContact OH-O 3.17Å; Y319-A353 PolarHBondContact OH-O 2.87Å; Y319-A355 HydrophobicContact CE1-CB 4.1Å; Y319-A355 PolarHBondContact OH-N 3.17Å
320	H	95.9	Very high	94.9	Very high	45 Å²	45	61.7 Å²	61.7	21%	0.208	28%	0.284	C	S	.	.			trans	-153.8	160.2	171.8	67	91.1	0	0	0	110.4	T304 M324 H394	T304-H320 HydrophobicContact CG2-CB 4.32Å; H320-M324 HydrophobicContact CB-CE 4.11Å; H320-H394 PolarHBondContact NE2-O 2.81Å
321	T	94.5	Very high	95.1	Very high	39 Å²	39	62.9 Å²	62.9	24%	0.239	29%	0.287	C	S	.	.			trans	-126.2	163.3	163.6	69.1	0	0	0	0	109.8	F54 R323 M324 W351	F54-T321 HydrophobicContact CD2-CG2 4.25Å; F54-T321 HydrophobicContact CE2-CG2 4.49Å; F54-T321 HydrophobicContact CG-CG2 4.43Å; T321-R323 PolarHBondContact O-N 2.77Å; T321-M324 PolarHBondContact O-N 3.09Å; T321-M324 WeakPolarHBondContact OG1-CB 3.42Å; T321-M324 PolarHBondContact OG1-N 2.89Å; T321-W351 HydrophobicContact CG2-CH2 3.44Å; T321-W351 VanDerWaalsContact CG2-CH2 3.44Å; T321-W351 HydrophobicContact CG2-CZ2 4.28Å; T321-W351 HydrophobicContact CG2-CZ3 4.15Å
322	R	91.9	Very high	95.3	Very high	254 Å²	254	56.8 Å²	56.8	96%	0.958	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.2	-178.3	-65.4	-177.7	-177.5	177.6	0.9	114.3
323	R	91.7	Very high	95.5	Very high	206 Å²	206	55.6 Å²	55.6	78%	0.777	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-10.6	-177	-63.3	-65.2	-171.4	-176.5	1.9	113.2	T321 K325	T321-R323 PolarHBondContact O-N 2.77Å; R323-K325 PolarHBondContact O-N 2.95Å
324	M	94.8	Very high	95.6	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.049	24%	0.244	C	C	.	.			trans	-61.2	136.2	-179.7	-166.5	160.3	87.5	0	0	110.8	S303 I305 H320 T321 V327 W351	S303-M324 WeakPolarHBondContact O-CE 3.42Å; I305-M324 HydrophobicContact CD1-CE 4.16Å; I305-M324 HydrophobicContact CD1-SD 4.23Å; I305-M324 HydrophobicContact CG1-CE 4.24Å; H320-M324 HydrophobicContact CB-CE 4.11Å; T321-M324 PolarHBondContact O-N 3.09Å; T321-M324 WeakPolarHBondContact OG1-CB 3.42Å; T321-M324 PolarHBondContact OG1-N 2.89Å; M324-V327 HydrophobicContact CE-CG2 3.81Å; M324-V327 HydrophobicContact CG-CG2 4.32Å; M324-V327 HydrophobicContact SD-CG2 4.15Å; M324-W351 HydrophobicContact SD-CH2 4.32Å; M324-W351 HydrophobicContact SD-CZ2 3.74Å
325	K	95.9	Very high	95.6	Very high	122 Å²	122	54.3 Å²	54.3	53%	0.53	24%	0.24	S	C	.	.			trans	-108.7	-162.1	175.2	-62.2	-63.6	-174.8	175.9	0	109	S303 R323 V327 S343 S344 D345	S303-K325 WeakPolarHBondContact CA-O 3.42Å; S303-K325 VanDerWaalsContact CB-O 3.27Å; S303-K325 WeakPolarHBondContact CB-O 3.17Å; S303-K325 WeakPolarHBondContact OG-CA 3.38Å; S303-K325 PolarHBondContact OG-O 3.05Å; R323-K325 PolarHBondContact O-N 2.95Å; K325-V327 PolarHBondContact O-N 2.75Å; K325-S343 PolarHBondContact N-OG 2.91Å; K325-S343 VanDerWaalsContact N-OG 3.16Å; K325-S343 PolarHBondContact O-OG 3.49Å; K325-S344 WeakPolarHBondContact CB-OG 3.5Å; K325-D345 HydrophobicContact CB-CB 4.18Å; K325-D345 HydrophobicContact CG-CB 3.83Å
326	R	96.6	Very high	95.6	Very high	114 Å²	114	54.5 Å²	54.5	43%	0.43	24%	0.242	S	C	.	.			trans	-51.5	127.2	-178.9	-52.9	156	-175.5	-177.4	4.4	109.1	Y301 S303 S343 S344	Y301-R326 HydrophobicContact CD1-CG 4.01Å; Y301-R326 HydrophobicContact CD2-CB 4.16Å; Y301-R326 HydrophobicContact CD2-CG 3.73Å; Y301-R326 HydrophobicContact CE1-CG 4.16Å; Y301-R326 HydrophobicContact CE2-CG 3.88Å; Y301-R326 VanDerWaalsContact CE2-NE 3.32Å; Y301-R326 HydrophobicContact CG-CB 4.36Å; Y301-R326 HydrophobicContact CG-CG 3.84Å; Y301-R326 PolarHBondContact OH-NE 2.82Å; Y301-R326 PolarHBondContact OH-NH1 3.44Å; Y301-R326 PolarHBondContact OH-NH2 2.76Å; S303-R326 PolarHBondContact OG-N 3.17Å; R326-S343 CarbonylContact O-C 3.56Å; R326-S343 VanDerWaalsContact O-CA 3.29Å; R326-S343 WeakPolarHBondContact O-CA 3.3Å; R326-S344 WeakPolarHBondContact CB-OG 3.39Å; R326-S344 PolarHBondContact N-OG 2.83Å; R326-S344 VanDerWaalsContact N-OG 3.12Å; R326-S344 PolarHBondContact O-N 2.84Å; R326-S344 PolarHBondContact O-OG 2.86Å
327	V	97.8	Very high	95.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.9	-178.8	-178.5	0	0	0	0	108.3	L285 S300 I305 M324 K325 V330 S342	L285-V327 WeakPolarHBondContact CD1-O 3.28Å; S300-V327 PolarHBondContact O-N 3.46Å; I305-V327 HydrophobicContact CG1-CG1 4.08Å; I305-V327 HydrophobicContact CG1-CG2 4.06Å; M324-V327 HydrophobicContact CE-CG2 3.81Å; M324-V327 HydrophobicContact CG-CG2 4.32Å; M324-V327 HydrophobicContact SD-CG2 4.15Å; K325-V327 PolarHBondContact O-N 2.75Å; V327-V330 HydrophobicContact CG1-CG2 3.6Å; V327-S342 CarbonylContact C-O 3.51Å; V327-S342 WeakPolarHBondContact CA-O 3.44Å; V327-S342 WeakPolarHBondContact CG1-O 3.17Å
328	L	97.1	Very high	95.7	Very high	44 Å²	44	58.4 Å²	58.4	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-44.2	-170.7	-59.7	176.2	0	0	0	112.4	M64 L285 D286 S342	M64-L328 HydrophobicContact CB-CD1 3.94Å; M64-L328 HydrophobicContact CG-CD1 4.09Å; M64-L328 HydrophobicContact SD-CD1 3.74Å; L285-L328 HydrophobicContact CD1-CD2 3.84Å; D286-L328 WeakPolarHBondContact CB-O 3.42Å; L328-S342 PolarHBondContact N-O 2.91Å
329	V	97.4	Very high	95.8	Very high	13 Å²	13	57.8 Å²	57.8	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.2	-175.3	-178.7	0	0	0	0	109	T66 I68 D286 S341 S342	T66-V329 VanDerWaalsContact O-CG2 3.28Å; T66-V329 WeakPolarHBondContact O-CG2 3.49Å; I68-V329 HydrophobicContact CB-CG1 4.03Å; I68-V329 HydrophobicContact CD1-CB 4.36Å; I68-V329 HydrophobicContact CD1-CG1 4Å; I68-V329 HydrophobicContact CG1-CG1 3.94Å; D286-V329 WeakPolarHBondContact OD2-CA 3.49Å; D286-V329 WeakPolarHBondContact OD2-CG1 3.44Å; V329-S341 CarbonylContact O-C 3.4Å; V329-S341 WeakPolarHBondContact O-CA 3.3Å; V329-S342 PolarHBondContact O-N 3.38Å
330	V	98.1	Very high	95.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.6	174.7	176.3	0	0	0	0	109.8	D286 D288 V297 G299 V327 V339 L340	D286-V330 PolarHBondContact OD2-N 2.82Å; D288-V330 WeakPolarHBondContact CB-O 3.3Å; V297-V330 HydrophobicContact CB-CG1 3.81Å; V297-V330 HydrophobicContact CG1-CG1 3.55Å; G299-V330 VanDerWaalsContact CA-CG2 3.49Å; V327-V330 HydrophobicContact CG1-CG2 3.6Å; V330-V339 HydrophobicContact CG1-CG1 3.8Å; V330-L340 VanDerWaalsContact CA-O 3.32Å; V330-L340 WeakPolarHBondContact CA-O 3.43Å
331	K	97.7	Very high	95.9	Very high	39 Å²	39	55.5 Å²	55.5	17%	0.17	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.4	175.4	-73.9	-62	-177.2	179.1	0	112.2	I68 L70 D288 V339 L340	I68-K331 HydrophobicContact CB-CG 3.99Å; I68-K331 HydrophobicContact CG2-CB 4.35Å; I68-K331 HydrophobicContact CG2-CG 3.8Å; L70-K331 HydrophobicContact CD1-CB 4.39Å; D288-K331 HydrophobicContact CB-CD 4.32Å; D288-K331 IonicContact OD1-NZ 3.58Å; D288-K331 PolarHBondContact OD1-NZ 3.1Å; D288-K331 WeakPolarHBondContact OD2-CA 3.28Å; D288-K331 VanDerWaalsContact OD2-CD 3.28Å; D288-K331 WeakPolarHBondContact OD2-CD 3.18Å; D288-K331 IonicContact OD2-NZ 2.89Å; K331-V339 CarbonylContact O-C 3.55Å; K331-V339 WeakPolarHBondContact O-CA 3.41Å; K331-L340 HydrophobicContact CB-CB 4.33Å; K331-L340 PolarHBondContact N-O 2.82Å; K331-L340 PolarHBondContact O-N 2.64Å
332	V	97.6	Very high	95.9	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.7	170.8	-173.8	0	0	0	0	108.5	L70 D288 V297	L70-V332 WeakPolarHBondContact CD1-O 3.46Å; D288-V332 PolarHBondContact OD2-N 3.32Å; V297-V332 HydrophobicContact CB-CG2 4.22Å; V297-V332 HydrophobicContact CG2-CG2 3.59Å
333	T	95.9	Very high	96.1	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	19%	0.187	C	C	.	.			trans	-62.4	150.1	176.9	52.9	0	0	0	0	111.1	I92 D335 A336 F338	I92-T333 HydrophobicContact CD1-CG2 4.4Å; T333-D335 WeakPolarHBondContact CB-OD1 3.07Å; T333-D335 PolarHBondContact O-N 2.95Å; T333-D335 PolarHBondContact OG1-OD1 3.36Å; T333-A336 WeakPolarHBondContact O-CA 3.31Å; T333-A336 PolarHBondContact O-N 2.88Å; T333-F338 HydrophobicContact CG2-CB 3.83Å; T333-F338 PolarHBondContact N-O 3.03Å; T333-F338 WeakPolarHBondContact OG1-CA 3.44Å; T333-F338 WeakPolarHBondContact OG1-CB 3.34Å; T333-F338 PolarHBondContact OG1-N 3.19Å; T333-F338 PolarHBondContact OG1-O 3.42Å; T333-F338 VanDerWaalsContact OG1-O 3.12Å
334	L	94.1	Very high	96.3	Very high	73 Å²	73	33.6 Å²	33.6	38%	0.382	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.9	-175.5	-65	177.8	0	0	0	114.3	L70 N71 L75 P291	L70-L334 HydrophobicContact CB-CG 4.5Å; L70-L334 HydrophobicContact CD1-CG 4.35Å; N71-L334 WeakPolarHBondContact O-CD1 3.29Å; L75-L334 HydrophobicContact CD2-CB 3.55Å; L75-L334 HydrophobicContact CD2-CD1 4.32Å; P291-L334 WeakPolarHBondContact CG-O 3.48Å
335	D	92.9	Very high	96.3	Very high	66 Å²	66	34.7 Å²	34.7	35%	0.353	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.3	169.9	68.3	-15.3	0	0	0	113.7	T333 K337	T333-D335 WeakPolarHBondContact CB-OD1 3.07Å; T333-D335 PolarHBondContact O-N 2.95Å; T333-D335 PolarHBondContact OG1-OD1 3.36Å; D335-K337 PolarHBondContact O-N 2.9Å; D335-K337 VanDerWaalsContact O-N 3.12Å; D335-K337 PolarHBondContact OD1-N 2.74Å
336	A	94.8	Very high	96.2	Very high	22 Å²	22	33.3 Å²	33.3	18%	0.182	16%	0.164	C	C	.	.	S	Bend	trans	59.4	9.9	-176.1	0	0	0	0	0	116.1	P291 T292 T333 A353	P291-A336 HydrophobicContact CG-CB 3.8Å; T292-A336 HydrophobicContact CG2-CB 4.05Å; T333-A336 WeakPolarHBondContact O-CA 3.31Å; T333-A336 PolarHBondContact O-N 2.88Å; A336-A353 WeakPolarHBondContact O-CB 3.28Å
337	K	94.9	Very high	96.1	Very high	101 Å²	101	30.1 Å²	30.1	44%	0.439	16%	0.156	S	C	.	.	S	Bend	trans	-90.8	-25.9	-174.8	-72.2	-177.7	177.8	174.8	0	114	D335 A353	D335-K337 PolarHBondContact O-N 2.9Å; D335-K337 VanDerWaalsContact O-N 3.12Å; D335-K337 PolarHBondContact OD1-N 2.74Å; K337-A353 WeakPolarHBondContact O-CB 3.47Å; K337-A353 PolarHBondContact O-N 2.81Å
338	F	96.6	Very high	96	Very high	48 Å²	48	30.1 Å²	30.1	21%	0.211	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.5	-172.2	-53	-70.3	0	0	0	112.4	I55 T333 L350 W351 I359	I55-F338 HydrophobicContact CD1-CD1 3.2Å; I55-F338 HydrophobicContact CD1-CE1 3.33Å; I55-F338 HydrophobicContact CD1-CG 4.39Å; T333-F338 HydrophobicContact CG2-CB 3.83Å; T333-F338 PolarHBondContact N-O 3.03Å; T333-F338 WeakPolarHBondContact OG1-CA 3.44Å; T333-F338 WeakPolarHBondContact OG1-CB 3.34Å; T333-F338 PolarHBondContact OG1-N 3.19Å; T333-F338 PolarHBondContact OG1-O 3.42Å; T333-F338 VanDerWaalsContact OG1-O 3.12Å; F338-L350 HydrophobicContact CB-CD1 3.7Å; F338-L350 HydrophobicContact CG-CD1 4.29Å; F338-W351 CarbonylContact C-O 3.56Å; F338-W351 WeakPolarHBondContact CA-O 3.45Å; F338-W351 WeakPolarHBondContact CB-O 3.05Å; F338-I359 HydrophobicContact CE1-CD1 4.47Å
339	V	97.9	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.2	177.1	178.1	0	0	0	0	107.6	V297 I305 L307 V330 K331 W351 A353	V297-V339 HydrophobicContact CB-CG1 4.45Å; V297-V339 HydrophobicContact CG1-CG1 3.86Å; V297-V339 HydrophobicContact CG2-CG1 4.42Å; V297-V339 HydrophobicContact CG2-CG2 3.9Å; I305-V339 HydrophobicContact CG2-CG1 4.36Å; L307-V339 HydrophobicContact CD2-CG2 4.26Å; V330-V339 HydrophobicContact CG1-CG1 3.8Å; K331-V339 CarbonylContact O-C 3.55Å; K331-V339 WeakPolarHBondContact O-CA 3.41Å; V339-W351 HydrophobicContact CB-CB 4.24Å; V339-W351 PolarHBondContact N-O 3.15Å; V339-W351 PolarHBondContact O-N 3.22Å; V339-A353 HydrophobicContact CG2-CB 4.38Å
340	L	97.6	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.5	168	-70.1	174.5	0	0	0	109.8	L58 L70 F80 I92 V330 K331 V348 R349 L350	L58-L340 HydrophobicContact CD1-CD2 3.89Å; L70-L340 HydrophobicContact CD2-CD1 4.07Å; F80-L340 HydrophobicContact CE1-CD1 4.28Å; F80-L340 HydrophobicContact CZ-CD1 4.33Å; I92-L340 HydrophobicContact CD1-CD1 3.74Å; I92-L340 HydrophobicContact CG1-CD1 4.24Å; I92-L340 HydrophobicContact CG2-CD2 4.13Å; V330-L340 VanDerWaalsContact CA-O 3.32Å; V330-L340 WeakPolarHBondContact CA-O 3.43Å; K331-L340 HydrophobicContact CB-CB 4.33Å; K331-L340 PolarHBondContact N-O 2.82Å; K331-L340 PolarHBondContact O-N 2.64Å; L340-V348 HydrophobicContact CD2-CG1 4.23Å; L340-R349 CarbonylContact C-O 3.58Å; L340-R349 WeakPolarHBondContact CA-O 3.27Å; L340-L350 HydrophobicContact CD2-CB 4.39Å; L340-L350 HydrophobicContact CD2-CD1 3.67Å; L340-L350 HydrophobicContact CG-CD1 4.32Å
341	S	97.3	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	121.2	172.9	67	0	0	0	0	110.9	I305 V329 V348 R349 W351	I305-S341 VanDerWaalsContact CD1-OG 3.28Å; I305-S341 WeakPolarHBondContact CD1-OG 3.35Å; V329-S341 CarbonylContact O-C 3.4Å; V329-S341 WeakPolarHBondContact O-CA 3.3Å; S341-V348 CarbonylContact O-C 3.53Å; S341-V348 WeakPolarHBondContact O-CA 3.24Å; S341-R349 PolarHBondContact N-O 3.4Å; S341-R349 PolarHBondContact O-N 2.95Å; S341-W351 PolarHBondContact OG-NE1 3.02Å
342	S	96.2	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.6	166.5	176.8	0	0	0	0	109.7	V65 V327 L328 V329	V65-S342 WeakPolarHBondContact CB-OG 3.33Å; V65-S342 WeakPolarHBondContact O-CB 3.47Å; V65-S342 PolarHBondContact O-OG 3.31Å; V327-S342 CarbonylContact C-O 3.51Å; V327-S342 WeakPolarHBondContact CA-O 3.44Å; V327-S342 WeakPolarHBondContact CG1-O 3.17Å; L328-S342 PolarHBondContact N-O 2.91Å; V329-S342 PolarHBondContact O-N 3.38Å
343	S	95.7	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.9	175	158.8	0	0	0	0	110.4	K325 R326 D345 Q346 N347	K325-S343 PolarHBondContact N-OG 2.91Å; K325-S343 VanDerWaalsContact N-OG 3.16Å; K325-S343 PolarHBondContact O-OG 3.49Å; R326-S343 CarbonylContact O-C 3.56Å; R326-S343 VanDerWaalsContact O-CA 3.29Å; R326-S343 WeakPolarHBondContact O-CA 3.3Å; S343-D345 WeakPolarHBondContact CB-OD1 3.35Å; S343-D345 PolarHBondContact O-N 3.12Å; S343-D345 VanDerWaalsContact OG-CG 3.24Å; S343-D345 PolarHBondContact OG-N 3.02Å; S343-D345 PolarHBondContact OG-OD1 2.54Å; S343-Q346 PolarHBondContact O-N 3.47Å; S343-N347 PolarHBondContact N-O 3.15Å
344	S	95.9	Very high	95.8	Very high	38 Å²	38	30.6 Å²	30.6	27%	0.266	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.1	175.6	50.4	0	0	0	0	114.4	K325 R326 Q346	K325-S344 WeakPolarHBondContact CB-OG 3.5Å; R326-S344 WeakPolarHBondContact CB-OG 3.39Å; R326-S344 PolarHBondContact N-OG 2.83Å; R326-S344 VanDerWaalsContact N-OG 3.12Å; R326-S344 PolarHBondContact O-N 2.84Å; R326-S344 PolarHBondContact O-OG 2.86Å; S344-Q346 PolarHBondContact O-N 3.4Å
345	D	94.2	Very high	95.8	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	22.9	169.5	71.7	-21.1	0	0	0	113.5	K325 S343 N347 R349	K325-D345 HydrophobicContact CB-CB 4.18Å; K325-D345 HydrophobicContact CG-CB 3.83Å; S343-D345 WeakPolarHBondContact CB-OD1 3.35Å; S343-D345 PolarHBondContact O-N 3.12Å; S343-D345 VanDerWaalsContact OG-CG 3.24Å; S343-D345 PolarHBondContact OG-N 3.02Å; S343-D345 PolarHBondContact OG-OD1 2.54Å; D345-N347 PolarHBondContact O-N 2.49Å; D345-N347 PolarHBondContact O-ND2 3.26Å; D345-R349 IonicContact OD1-CZ 2.91Å; D345-R349 IonicContact OD1-NH1 3.85Å; D345-R349 PolarHBondContact OD1-NH1 2.81Å; D345-R349 IonicContact OD1-NH2 3.9Å; D345-R349 IonicContact OD2-CZ 3.89Å; D345-R349 IonicContact OD2-NH1 3.04Å; D345-R349 PolarHBondContact OD2-NH1 3.32Å; D345-R349 VanDerWaalsContact OD2-NH1 3.14Å; D345-R349 IonicContact OD2-NH2 3.14Å; D345-R349 PolarHBondContact OD2-NH2 2.94Å
346	Q	93.6	Very high	95.8	Very high	92 Å²	92	26.4 Å²	26.4	43%	0.43	13%	0.134	S	C	.	.	S	Bend	trans	64.2	10.3	174.9	-52	170	-24.2	0	0	114.7	T62 S343 S344	T62-Q346 PolarHBondContact O-NE2 2.71Å; T62-Q346 VanDerWaalsContact O-NE2 3.14Å; T62-Q346 PolarHBondContact O-OE1 3.08Å; S343-Q346 PolarHBondContact O-N 3.47Å; S344-Q346 PolarHBondContact O-N 3.4Å
347	N	94.2	Very high	95.7	Very high	47 Å²	47	28.3 Å²	28.3	25%	0.251	14%	0.139	S	C	.	.			trans	-109.7	126.2	-178.9	-74.9	-53.8	0	0	0	111.4	S343 D345	S343-N347 PolarHBondContact N-O 3.15Å; D345-N347 PolarHBondContact O-N 2.49Å; D345-N347 PolarHBondContact O-ND2 3.26Å
348	V	96	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129	164.2	-175.9	0	0	0	0	108.7	A57 L58 V65 I68 F80 L340 S341	A57-V348 CarbonylContact C-O 3.48Å; A57-V348 WeakPolarHBondContact CA-O 3.37Å; L58-V348 HydrophobicContact CB-CB 4.2Å; L58-V348 HydrophobicContact CD1-CB 4.33Å; L58-V348 HydrophobicContact CD1-CG1 3.91Å; L58-V348 PolarHBondContact N-O 3.1Å; V65-V348 HydrophobicContact CB-CG2 3.89Å; V65-V348 HydrophobicContact CG1-CG2 4.3Å; V65-V348 HydrophobicContact CG2-CG2 3.62Å; I68-V348 HydrophobicContact CD1-CG1 4.44Å; F80-V348 HydrophobicContact CD2-CG2 4.2Å; F80-V348 HydrophobicContact CE2-CB 4.24Å; F80-V348 HydrophobicContact CE2-CG1 4.1Å; F80-V348 HydrophobicContact CE2-CG2 4.12Å; F80-V348 HydrophobicContact CZ-CG1 4.09Å; L340-V348 HydrophobicContact CD2-CG1 4.23Å; S341-V348 CarbonylContact O-C 3.53Å; S341-V348 WeakPolarHBondContact O-CA 3.24Å
349	R	96.7	Very high	95.3	Very high	13 Å²	13	29.4 Å²	29.4	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.1	-177.5	-66.2	177.2	175.3	82	-1	110.8	F54 L340 S341 D345 W351	F54-R349 HydrophobicContact CE2-CB 4Å; F54-R349 HydrophobicContact CE2-CG 3.94Å; L340-R349 CarbonylContact C-O 3.58Å; L340-R349 WeakPolarHBondContact CA-O 3.27Å; S341-R349 PolarHBondContact N-O 3.4Å; S341-R349 PolarHBondContact O-N 2.95Å; D345-R349 IonicContact OD1-CZ 2.91Å; D345-R349 IonicContact OD1-NH1 3.85Å; D345-R349 PolarHBondContact OD1-NH1 2.81Å; D345-R349 IonicContact OD1-NH2 3.9Å; D345-R349 IonicContact OD2-CZ 3.89Å; D345-R349 IonicContact OD2-NH1 3.04Å; D345-R349 PolarHBondContact OD2-NH1 3.32Å; D345-R349 VanDerWaalsContact OD2-NH1 3.14Å; D345-R349 IonicContact OD2-NH2 3.14Å; D345-R349 PolarHBondContact OD2-NH2 2.94Å; R349-W351 HydrophobicContact CB-CZ2 3.96Å; R349-W351 HydrophobicContact CG-CZ2 4.46Å
350	L	97.1	Very high	94.9	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.6	175.6	-174.8	65.7	0	0	0	109.8	I55 G56 I92 F338 L340	I55-L350 HydrophobicContact CB-CB 4.42Å; I55-L350 HydrophobicContact CB-CD2 4.36Å; I55-L350 HydrophobicContact CB-CG 4.23Å; I55-L350 WeakPolarHBondContact CB-O 3.39Å; I55-L350 HydrophobicContact CD1-CD2 4.41Å; I55-L350 HydrophobicContact CD1-CG 4.1Å; I55-L350 HydrophobicContact CG2-CD2 3.87Å; I55-L350 HydrophobicContact CG2-CG 4.29Å; I55-L350 PolarHBondContact N-O 3.47Å; G56-L350 PolarHBondContact N-O 2.97Å; G56-L350 PolarHBondContact O-N 2.94Å; I92-L350 HydrophobicContact CG2-CD1 3.61Å; I92-L350 HydrophobicContact CG2-CD2 3.86Å; I92-L350 HydrophobicContact CG2-CG 4.35Å; F338-L350 HydrophobicContact CB-CD1 3.7Å; F338-L350 HydrophobicContact CG-CD1 4.29Å; L340-L350 HydrophobicContact CD2-CB 4.39Å; L340-L350 HydrophobicContact CD2-CD1 3.67Å; L340-L350 HydrophobicContact CG-CD1 4.32Å
351	W	97.5	Very high	94.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.7	-178.9	-45.7	86.3	0	0	0	110.6	P53 F54 I55 I305 Y319 T321 M324 F338 V339 S341 R349	P53-W351 HydrophobicContact CB-CE3 4.33Å; P53-W351 CarbonylContact O-C 3.59Å; P53-W351 WeakPolarHBondContact O-CA 3.34Å; F54-W351 VanDerWaalsContact CA-CE3 3.48Å; F54-W351 HydrophobicContact CB-CE3 3.74Å; F54-W351 HydrophobicContact CB-CH2 4.44Å; F54-W351 HydrophobicContact CB-CZ3 3.56Å; F54-W351 HydrophobicContact CD2-CD2 4.15Å; F54-W351 AromaticContact CD2-CE3 3.84Å; F54-W351 HydrophobicContact CD2-CE3 3.84Å; F54-W351 AromaticContact CD2-CH2 3.8Å; F54-W351 HydrophobicContact CD2-CH2 3.8Å; F54-W351 HydrophobicContact CD2-CZ2 4.07Å; F54-W351 AromaticContact CD2-CZ3 3.66Å; F54-W351 HydrophobicContact CD2-CZ3 3.66Å; F54-W351 HydrophobicContact CG-CE3 4.29Å; F54-W351 HydrophobicContact CG-CH2 4.47Å; F54-W351 HydrophobicContact CG-CZ3 4.02Å; I55-W351 VanDerWaalsContact CD1-C 3.49Å; I305-W351 HydrophobicContact CD1-CD2 4.35Å; I305-W351 HydrophobicContact CD1-CG 4.5Å; I305-W351 HydrophobicContact CD1-CZ2 3.84Å; Y319-W351 HydrophobicContact CD2-CB 3.89Å; Y319-W351 HydrophobicContact CD2-CD2 4.19Å; Y319-W351 HydrophobicContact CD2-CE3 4.14Å; Y319-W351 HydrophobicContact CD2-CG 4.09Å; Y319-W351 HydrophobicContact CE2-CB 4.08Å; Y319-W351 HydrophobicContact CG-CD2 4.48Å; Y319-W351 HydrophobicContact CG-CE3 4.07Å; T321-W351 HydrophobicContact CG2-CH2 3.44Å; T321-W351 VanDerWaalsContact CG2-CH2 3.44Å; T321-W351 HydrophobicContact CG2-CZ2 4.28Å; T321-W351 HydrophobicContact CG2-CZ3 4.15Å; M324-W351 HydrophobicContact SD-CH2 4.32Å; M324-W351 HydrophobicContact SD-CZ2 3.74Å; F338-W351 CarbonylContact C-O 3.56Å; F338-W351 WeakPolarHBondContact CA-O 3.45Å; F338-W351 WeakPolarHBondContact CB-O 3.05Å; V339-W351 HydrophobicContact CB-CB 4.24Å; V339-W351 PolarHBondContact N-O 3.15Å; V339-W351 PolarHBondContact O-N 3.22Å; S341-W351 PolarHBondContact OG-NE1 3.02Å; R349-W351 HydrophobicContact CB-CZ2 3.96Å; R349-W351 HydrophobicContact CG-CZ2 4.46Å
352	K	97.3	Very high	94.5	Very high	26 Å²	26	41.3 Å²	41.3	11%	0.113	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.9	164.8	-60.2	178.8	-176.5	-178.9	0	109.8	K52 P53 I55 Y319 H354 E357 I359	K52-K352 WeakPolarHBondContact O-CD 3.29Å; K52-K352 WeakPolarHBondContact O-CE 3.43Å; P53-K352 PolarHBondContact O-N 2.86Å; I55-K352 HydrophobicContact CD1-CB 4.48Å; I55-K352 HydrophobicContact CD1-CG 3.66Å; I55-K352 HydrophobicContact CG1-CG 3.89Å; Y319-K352 WeakPolarHBondContact CE2-O 3.49Å; Y319-K352 PolarHBondContact OH-O 3.17Å; K352-H354 VanDerWaalsContact C-N 3.29Å; K352-H354 WeakPolarHBondContact CB-O 3.36Å; K352-E357 PolarHBondContact NZ-O 2.84Å; K352-I359 HydrophobicContact CD-CD1 4.38Å; K352-I359 HydrophobicContact CD-CG1 4.49Å; K352-I359 HydrophobicContact CG-CD1 4.39Å
353	A	96.7	Very high	94.5	Very high	5 Å²	5	48 Å²	48	4%	0.041	26%	0.264	C	S	.	.	S	Bend	trans	-60.1	-43.8	167.7	0	0	0	0	0	110.2	L307 Y319 A336 K337 V339	L307-A353 WeakPolarHBondContact CD2-O 3.47Å; Y319-A353 PolarHBondContact OH-O 2.87Å; A336-A353 WeakPolarHBondContact O-CB 3.28Å; K337-A353 WeakPolarHBondContact O-CB 3.47Å; K337-A353 PolarHBondContact O-N 2.81Å; V339-A353 HydrophobicContact CG2-CB 4.38Å
354	H	95.6	Very high	94.5	Very high	68 Å²	68	53.4 Å²	53.4	32%	0.315	30%	0.298	S	S	.	.	S	Bend	trans	-112.4	115.7	171.9	-58.3	-60.9	0	0	0	111	E295 F316 K352 N356 E357	E295-H354 IonicContact OE1-CE1 3.98Å; E295-H354 IonicContact OE2-CE1 2.68Å; E295-H354 PolarHBondContact OE2-CE1 2.86Å; E295-H354 IonicContact OE2-NE2 3.75Å; F316-H354 AromaticContact CE2-ND1 3.93Å; K352-H354 VanDerWaalsContact C-N 3.29Å; K352-H354 WeakPolarHBondContact CB-O 3.36Å; H354-N356 PolarHBondContact O-N 2.87Å; H354-E357 HydrophobicContact CB-CB 4.01Å; H354-E357 IonicContact CD2-OE2 3.82Å; H354-E357 VanDerWaalsContact O-CB 3.28Å; H354-E357 WeakPolarHBondContact O-CB 3.21Å; H354-E357 PolarHBondContact O-N 2.62Å
355	A	94.1	Very high	94.5	Very high	6 Å²	6	62 Å²	62	5%	0.05	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.6	-174.3	0	0	0	0	0	114.5	G51 K52 P53 D317 Y319	G51-A355 WeakPolarHBondContact CA-O 3.5Å; K52-A355 PolarHBondContact N-O 2.87Å; P53-A355 HydrophobicContact CB-CB 3.86Å; P53-A355 HydrophobicContact CG-CB 4.25Å; D317-A355 VanDerWaalsContact OD2-CB 3.29Å; D317-A355 WeakPolarHBondContact OD2-CB 3.26Å; Y319-A355 HydrophobicContact CE1-CB 4.1Å; Y319-A355 PolarHBondContact OH-N 3.17Å
356	N	92.6	Very high	94.6	Very high	46 Å²	46	64.4 Å²	64.4	25%	0.246	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.6	-177.8	67.1	-53.6	0	0	0	113.7	G47 H354	G47-N356 WeakPolarHBondContact O-CB 3.38Å; H354-N356 PolarHBondContact O-N 2.87Å
357	E	92.7	Very high	94.7	Very high	62 Å²	62	65.7 Å²	65.7	29%	0.29	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-68.9	136.2	176.2	-172.7	176.5	175.8	0	0	110.6	K352 H354	K352-E357 PolarHBondContact NZ-O 2.84Å; H354-E357 HydrophobicContact CB-CB 4.01Å; H354-E357 IonicContact CD2-OE2 3.82Å; H354-E357 VanDerWaalsContact O-CB 3.28Å; H354-E357 WeakPolarHBondContact O-CB 3.21Å; H354-E357 PolarHBondContact O-N 2.62Å
358	I	92	Very high	94.8	Very high	68 Å²	68	65.6 Å²	65.6	35%	0.349	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-84.6	125.8	179.7	-58.2	178.9	0	0	0	108.2	I362 Q366 L370	I358-I362 HydrophobicContact CB-CD1 4.24Å; I358-I362 HydrophobicContact CB-CG1 4.43Å; I358-I362 HydrophobicContact CG2-CG1 4.43Å; I358-Q366 VanDerWaalsContact CD1-NE2 3.32Å; I358-L370 HydrophobicContact CD1-CD1 4.01Å
359	I	89.5	Confident	94.7	Very high	103 Å²	103	68.8 Å²	68.8	53%	0.528	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-85.7	126.3	173.7	-59.7	167.6	0	0	0	108	I55 F338 K352	I55-I359 HydrophobicContact CD1-CD1 4.28Å; I55-I359 HydrophobicContact CG1-CD1 4.19Å; F338-I359 HydrophobicContact CE1-CD1 4.47Å; K352-I359 HydrophobicContact CD-CD1 4.38Å; K352-I359 HydrophobicContact CD-CG1 4.49Å; K352-I359 HydrophobicContact CG-CD1 4.39Å
360	G	89.5	Confident	94.6	Very high	48 Å²	48	71.1 Å²	71.1	50%	0.495	38%	0.381	S	S	.	.	S	Bend	trans	121.2	-175.2	175.6	0	0	0	0	0	113.7	I362	G360-I362 PolarHBondContact O-N 2.9Å
361	P	92.7	Very high	94.5	Very high	139 Å²	139	76 Å²	76	90%	0.903	40%	0.404	S	S	*	.			trans	-69.1	127.7	176.9	28.4	-33	0	0	0	110.5
362	I	93.6	Very high	94.4	Very high	64 Å²	64	79.5 Å²	79.5	33%	0.328	43%	0.425	S	S	.	.			trans	-105.6	126.6	178.5	-58.1	169.4	0	0	0	108.5	I358 G360 Q366 K367	I358-I362 HydrophobicContact CB-CD1 4.24Å; I358-I362 HydrophobicContact CB-CG1 4.43Å; I358-I362 HydrophobicContact CG2-CG1 4.43Å; G360-I362 PolarHBondContact O-N 2.9Å; I362-Q366 HydrophobicContact CG2-CB 3.97Å; I362-Q366 HydrophobicContact CG2-CG 4.08Å; I362-K367 HydrophobicContact CG2-CB 3.96Å
363	Q	96.4	Very high	94.3	Very high	141 Å²	141	79.9 Å²	79.9	66%	0.659	43%	0.431	S	S	*	.			trans	-64.7	144.7	175.5	-66.7	-177.6	-1.9	0	0	111	R365 Q366 K367	Q363-R365 VanDerWaalsContact C-N 3.27Å; Q363-R365 PolarHBondContact O-N 2.87Å; Q363-R365 VanDerWaalsContact O-N 3.15Å; Q363-Q366 WeakPolarHBondContact O-CB 3.11Å; Q363-Q366 PolarHBondContact O-N 2.81Å; Q363-K367 PolarHBondContact O-N 3.05Å
364	P	96.8	Very high	94.2	Very high	112 Å²	112	84 Å²	84	73%	0.727	45%	0.449	S	S	*	.	H	α-helix	trans	-53.6	-39.9	-177.6	-28.5	34.9	0	0	0	114.3	Q366 K367 A368	P364-Q366 PolarHBondContact O-N 2.84Å; P364-K367 PolarHBondContact O-N 2.99Å; P364-A368 PolarHBondContact O-N 3.22Å
365	R	96.5	Very high	94.2	Very high	220 Å²	220	84 Å²	84	83%	0.83	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-43.4	176.4	-177.9	178.4	177.3	170	-0.5	112.3	Q363 S369	Q363-R365 VanDerWaalsContact C-N 3.27Å; Q363-R365 PolarHBondContact O-N 2.87Å; Q363-R365 VanDerWaalsContact O-N 3.15Å; R365-S369 PolarHBondContact O-N 3.08Å
366	Q	94.9	Very high	94.3	Very high	83 Å²	83	84.6 Å²	84.6	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-68.9	-41.4	178.2	-173.6	178	11.1	0	0	110.9	I358 I362 Q363 P364 A368 S369 L370	I358-Q366 VanDerWaalsContact CD1-NE2 3.32Å; I362-Q366 HydrophobicContact CG2-CB 3.97Å; I362-Q366 HydrophobicContact CG2-CG 4.08Å; Q363-Q366 WeakPolarHBondContact O-CB 3.11Å; Q363-Q366 PolarHBondContact O-N 2.81Å; P364-Q366 PolarHBondContact O-N 2.84Å; Q366-A368 PolarHBondContact O-N 3.1Å; Q366-S369 WeakPolarHBondContact O-CB 3.38Å; Q366-S369 PolarHBondContact O-N 3.32Å; Q366-L370 HydrophobicContact CG-CD1 4.36Å; Q366-L370 WeakPolarHBondContact O-CG 3.46Å; Q366-L370 PolarHBondContact O-N 3.22Å
367	K	95.2	Very high	94.3	Very high	119 Å²	119	84.8 Å²	84.8	52%	0.517	46%	0.456	S	S	.	.	H	α-helix	trans	-57.6	-47.6	174.5	-174.2	179.9	179.6	-179.2	0	111.5	I362 Q363 P364 S369 L370 Q371	I362-K367 HydrophobicContact CG2-CB 3.96Å; Q363-K367 PolarHBondContact O-N 3.05Å; P364-K367 PolarHBondContact O-N 2.99Å; K367-S369 VanDerWaalsContact C-N 3.34Å; K367-S369 PolarHBondContact O-N 3.22Å; K367-L370 PolarHBondContact O-N 3.3Å; K367-Q371 WeakPolarHBondContact O-CG 3.45Å; K367-Q371 PolarHBondContact O-N 3.36Å
368	A	96.4	Very high	94.3	Very high	46 Å²	46	88.9 Å²	88.9	38%	0.38	48%	0.475	S	S	.	.	H	α-helix	trans	-59.7	-44.4	175.8	0	0	0	0	0	111.5	P364 Q366 L370 Q371 T372	P364-A368 PolarHBondContact O-N 3.22Å; Q366-A368 PolarHBondContact O-N 3.1Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 2.87Å; A368-Q371 PolarHBondContact O-N 3.39Å; A368-T372 VanDerWaalsContact O-CG2 3.23Å; A368-T372 WeakPolarHBondContact O-CG2 3.26Å; A368-T372 PolarHBondContact O-N 3.32Å
369	S	94.3	Very high	94.5	Very high	67 Å²	67	92 Å²	92	47%	0.469	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-35.2	176.5	-170.5	0	0	0	0	113.5	R365 Q366 K367 T372 S373	R365-S369 PolarHBondContact O-N 3.08Å; Q366-S369 WeakPolarHBondContact O-CB 3.38Å; Q366-S369 PolarHBondContact O-N 3.32Å; K367-S369 VanDerWaalsContact C-N 3.34Å; K367-S369 PolarHBondContact O-N 3.22Å; S369-T372 PolarHBondContact O-OG1 3.24Å; S369-S373 WeakPolarHBondContact O-CB 3.34Å; S369-S373 PolarHBondContact O-N 2.93Å; S369-S373 VanDerWaalsContact O-N 3.15Å; S369-S373 PolarHBondContact O-OG 2.85Å
370	L	94.2	Very high	94.8	Very high	62 Å²	62	88.6 Å²	88.6	33%	0.325	47%	0.468	S	S	.	.	H	α-helix	trans	-69.6	-43.8	175.3	-73	168.2	0	0	0	111.1	I358 Q366 K367 A368 T372 S373 E374	I358-L370 HydrophobicContact CD1-CD1 4.01Å; Q366-L370 HydrophobicContact CG-CD1 4.36Å; Q366-L370 WeakPolarHBondContact O-CG 3.46Å; Q366-L370 PolarHBondContact O-N 3.22Å; K367-L370 PolarHBondContact O-N 3.3Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 2.87Å; L370-T372 PolarHBondContact O-N 2.77Å; L370-S373 CarbonylContact O-C 3.55Å; L370-S373 WeakPolarHBondContact O-CB 3.34Å; L370-S373 PolarHBondContact O-N 3.42Å; L370-S373 VanDerWaalsContact O-N 3.13Å; L370-E374 WeakPolarHBondContact O-CG 3.49Å; L370-E374 PolarHBondContact O-N 2.94Å
371	Q	95.4	Very high	95	Very high	110 Å²	110	91.1 Å²	91.1	51%	0.514	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-42.9	176.5	-72.8	175.3	-18.5	0	0	112	K367 A368 S373 E374 S375	K367-Q371 WeakPolarHBondContact O-CG 3.45Å; K367-Q371 PolarHBondContact O-N 3.36Å; A368-Q371 PolarHBondContact O-N 3.39Å; Q371-S373 VanDerWaalsContact C-N 3.31Å; Q371-S373 PolarHBondContact O-N 3.34Å; Q371-E374 PolarHBondContact O-N 2.84Å; Q371-S375 PolarHBondContact O-N 3.12Å; Q371-S375 PolarHBondContact O-OG 2.84Å
372	T	95.5	Very high	95	Very high	74 Å²	74	90.3 Å²	90.3	45%	0.454	45%	0.453	S	S	.	.	H	α-helix	trans	-65.5	-36.6	175.3	70.2	0	0	0	0	112	A368 S369 L370 E374 S375 L376	A368-T372 VanDerWaalsContact O-CG2 3.23Å; A368-T372 WeakPolarHBondContact O-CG2 3.26Å; A368-T372 PolarHBondContact O-N 3.32Å; S369-T372 PolarHBondContact O-OG1 3.24Å; L370-T372 PolarHBondContact O-N 2.77Å; T372-E374 VanDerWaalsContact C-N 3.34Å; T372-S375 PolarHBondContact O-OG 3.35Å; T372-L376 WeakPolarHBondContact O-CB 3.35Å; T372-L376 WeakPolarHBondContact O-CG 3.37Å; T372-L376 PolarHBondContact O-N 3Å
373	S	95.5	Very high	95.1	Very high	34 Å²	34	91.1 Å²	91.1	24%	0.238	46%	0.456	C	S	.	.	H	α-helix	trans	-68.5	-35.2	177.1	-61.3	0	0	0	0	111.9	S369 L370 Q371 R377	S369-S373 WeakPolarHBondContact O-CB 3.34Å; S369-S373 PolarHBondContact O-N 2.93Å; S369-S373 VanDerWaalsContact O-N 3.15Å; S369-S373 PolarHBondContact O-OG 2.85Å; L370-S373 CarbonylContact O-C 3.55Å; L370-S373 WeakPolarHBondContact O-CB 3.34Å; L370-S373 PolarHBondContact O-N 3.42Å; L370-S373 VanDerWaalsContact O-N 3.13Å; Q371-S373 VanDerWaalsContact C-N 3.31Å; Q371-S373 PolarHBondContact O-N 3.34Å; S373-R377 VanDerWaalsContact O-CB 3.27Å; S373-R377 WeakPolarHBondContact O-CB 3.39Å; S373-R377 PolarHBondContact O-N 3.07Å; S373-R377 VanDerWaalsContact O-N 3.07Å
374	E	93.9	Very high	95.1	Very high	92 Å²	92	88.1 Å²	88.1	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-68.8	-47.5	174.7	-80.5	174.6	177.5	0	0	112.2	L370 Q371 T372 L376 R377 E378	L370-E374 WeakPolarHBondContact O-CG 3.49Å; L370-E374 PolarHBondContact O-N 2.94Å; Q371-E374 PolarHBondContact O-N 2.84Å; T372-E374 VanDerWaalsContact C-N 3.34Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 3.06Å; E374-R377 WeakPolarHBondContact O-CB 3.44Å; E374-R377 PolarHBondContact O-N 2.85Å; E374-R377 VanDerWaalsContact O-N 3.16Å; E374-R377 IonicContact OE1-NH2 3.33Å; E374-E378 PolarHBondContact O-N 2.82Å
375	S	96.4	Very high	95	Very high	67 Å²	67	88 Å²	88	47%	0.469	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-39.5	178.2	66.6	0	0	0	0	112.1	Q371 T372 E378 K379	Q371-S375 PolarHBondContact O-N 3.12Å; Q371-S375 PolarHBondContact O-OG 2.84Å; T372-S375 PolarHBondContact O-OG 3.35Å; S375-E378 PolarHBondContact O-N 2.89Å; S375-K379 VanDerWaalsContact O-CB 3.3Å; S375-K379 WeakPolarHBondContact O-CB 3.47Å; S375-K379 PolarHBondContact O-N 2.88Å
376	L	95.9	Very high	95	Very high	19 Å²	19	77.5 Å²	77.5	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-42.2	173.6	-72.7	173.5	0	0	0	111.9	E36 R39 A40 T372 E374 E378 K379 F380	E36-L376 HydrophobicContact CB-CD2 3.75Å; E36-L376 HydrophobicContact CG-CD2 3.83Å; R39-L376 HydrophobicContact CB-CD1 3.78Å; A40-L376 HydrophobicContact CB-CB 4.05Å; A40-L376 WeakPolarHBondContact CB-O 3.36Å; T372-L376 WeakPolarHBondContact O-CB 3.35Å; T372-L376 WeakPolarHBondContact O-CG 3.37Å; T372-L376 PolarHBondContact O-N 3Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 3.06Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 2.8Å; L376-K379 PolarHBondContact O-N 2.76Å; L376-F380 HydrophobicContact CD2-CE2 4.3Å; L376-F380 WeakPolarHBondContact O-CD2 3.47Å; L376-F380 PolarHBondContact O-N 3.16Å
377	R	93.6	Very high	95	Very high	51 Å²	51	79.1 Å²	79.1	19%	0.192	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-37.2	177.6	-167	-160.8	-43.9	149.6	8	111.6	A44 S373 E374 K381 L390	A44-R377 HydrophobicContact CB-CG 4.48Å; S373-R377 VanDerWaalsContact O-CB 3.27Å; S373-R377 WeakPolarHBondContact O-CB 3.39Å; S373-R377 PolarHBondContact O-N 3.07Å; S373-R377 VanDerWaalsContact O-N 3.07Å; E374-R377 WeakPolarHBondContact O-CB 3.44Å; E374-R377 PolarHBondContact O-N 2.85Å; E374-R377 VanDerWaalsContact O-N 3.16Å; E374-R377 IonicContact OE1-NH2 3.33Å; R377-K381 WeakPolarHBondContact O-CA 3.42Å; R377-K381 WeakPolarHBondContact O-CB 3.36Å; R377-K381 PolarHBondContact O-N 3.46Å; R377-K381 VanDerWaalsContact O-N 3.09Å; R377-L390 HydrophobicContact CG-CD1 4.09Å; R377-L390 HydrophobicContact CG-CD2 3.97Å
378	E	93.1	Very high	95	Very high	148 Å²	148	81.2 Å²	81.2	69%	0.692	41%	0.41	S	S	*	.	H	α-helix	trans	-70.3	-48.7	175.5	-175.2	164.8	-151.2	0	0	111.5	E374 S375 L376 F380 K381	E374-E378 PolarHBondContact O-N 2.82Å; S375-E378 PolarHBondContact O-N 2.89Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 2.8Å; E378-F380 VanDerWaalsContact C-N 3.28Å; E378-F380 PolarHBondContact O-N 3.38Å; E378-K381 VanDerWaalsContact O-CB 3.23Å; E378-K381 WeakPolarHBondContact O-CB 3.35Å; E378-K381 PolarHBondContact O-N 3.22Å; E378-K381 VanDerWaalsContact O-N 3.14Å
379	K	95.6	Very high	95	Very high	132 Å²	132	80.8 Å²	80.8	57%	0.574	40%	0.401	S	S	*	.	H	α-helix	trans	-54.8	-41.8	177.2	-177.1	178.9	176.8	-177.2	0	112.6	E36 S375 L376	E36-K379 IonicContact OE2-NZ 3.02Å; E36-K379 PolarHBondContact OE2-NZ 2.74Å; S375-K379 VanDerWaalsContact O-CB 3.3Å; S375-K379 WeakPolarHBondContact O-CB 3.47Å; S375-K379 PolarHBondContact O-N 2.88Å; L376-K379 PolarHBondContact O-N 2.76Å
380	F	96	Very high	94.9	Very high	33 Å²	33	79.4 Å²	79.4	15%	0.145	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	14.7	-178.6	-67.6	-83	0	0	0	113.9	E36 Y37 A40 L376 E378 D382 H383 V386	E36-F380 HydrophobicContact CB-CE2 3.81Å; E36-F380 HydrophobicContact CB-CZ 4.09Å; Y37-F380 HydrophobicContact CD2-CB 4.39Å; Y37-F380 AromaticContact CD2-CD1 3.64Å; Y37-F380 HydrophobicContact CD2-CD1 3.64Å; Y37-F380 HydrophobicContact CD2-CE1 4.11Å; Y37-F380 HydrophobicContact CD2-CG 4.1Å; Y37-F380 HydrophobicContact CG-CD1 4.39Å; Y37-F380 HydrophobicContact CG-CE1 4.43Å; A40-F380 HydrophobicContact CB-CB 3.84Å; A40-F380 HydrophobicContact CB-CD2 3.7Å; A40-F380 HydrophobicContact CB-CG 4.04Å; L376-F380 HydrophobicContact CD2-CE2 4.3Å; L376-F380 WeakPolarHBondContact O-CD2 3.47Å; L376-F380 PolarHBondContact O-N 3.16Å; E378-F380 VanDerWaalsContact C-N 3.28Å; E378-F380 PolarHBondContact O-N 3.38Å; F380-D382 PolarHBondContact O-N 3.48Å; F380-H383 WeakPolarHBondContact O-CB 3.31Å; F380-H383 PolarHBondContact O-N 3.45Å; F380-H383 VanDerWaalsContact O-N 3.12Å; F380-V386 HydrophobicContact CB-CG2 4.31Å; F380-V386 VanDerWaalsContact O-CB 3.32Å; F380-V386 WeakPolarHBondContact O-CB 3.44Å; F380-V386 WeakPolarHBondContact O-CG1 3.07Å
381	K	92.8	Very high	94.7	Very high	101 Å²	101	81.2 Å²	81.2	44%	0.439	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-36.4	-175	-178.8	-174.5	173	-164.8	0	113.5	R377 E378 R387 L390	R377-K381 WeakPolarHBondContact O-CA 3.42Å; R377-K381 WeakPolarHBondContact O-CB 3.36Å; R377-K381 PolarHBondContact O-N 3.46Å; R377-K381 VanDerWaalsContact O-N 3.09Å; E378-K381 VanDerWaalsContact O-CB 3.23Å; E378-K381 WeakPolarHBondContact O-CB 3.35Å; E378-K381 PolarHBondContact O-N 3.22Å; E378-K381 VanDerWaalsContact O-N 3.14Å; K381-R387 WeakPolarHBondContact O-CA 3.36Å; K381-R387 VanDerWaalsContact O-CB 3.31Å; K381-R387 WeakPolarHBondContact O-CB 3.34Å; K381-L390 HydrophobicContact CB-CD1 4.42Å; K381-L390 HydrophobicContact CG-CD1 3.93Å
382	D	93.7	Very high	94.6	Very high	122 Å²	122	82.3 Å²	82.3	65%	0.652	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.6	-175.5	-65.1	-41	0	0	0	113.7	F380	F380-D382 PolarHBondContact O-N 3.48Å
383	H	95.7	Very high	94.3	Very high	81 Å²	81	81.2 Å²	81.2	38%	0.375	39%	0.386	S	S	.	.	S	Bend	trans	-62.6	134.5	176.7	-154.2	-86.1	0	0	0	110.1	Y37 F380 E385 V386 R387	Y37-H383 HydrophobicContact CE2-CB 3.9Å; Y37-H383 AromaticContact CE2-CE1 3.65Å; Y37-H383 AromaticContact CE2-CG 3.4Å; Y37-H383 AromaticContact CE2-ND1 3.14Å; Y37-H383 WeakPolarHBondContact CE2-ND1 3.45Å; Y37-H383 AromaticContact CZ-CE1 3.45Å; Y37-H383 VanDerWaalsContact CZ-CE1 3.45Å; Y37-H383 AromaticContact CZ-CG 3.99Å; Y37-H383 AromaticContact CZ-ND1 3.23Å; Y37-H383 PolarHBondContact OH-CE1 3.47Å; Y37-H383 VanDerWaalsContact OH-CE1 3.29Å; Y37-H383 PolarHBondContact OH-ND1 2.84Å; F380-H383 WeakPolarHBondContact O-CB 3.31Å; F380-H383 PolarHBondContact O-N 3.45Å; F380-H383 VanDerWaalsContact O-N 3.12Å; H383-E385 PolarHBondContact O-N 2.64Å; H383-E385 VanDerWaalsContact O-N 3.16Å; H383-V386 HydrophobicContact CB-CB 4.48Å; H383-V386 HydrophobicContact CB-CG2 4.49Å; H383-V386 PolarHBondContact O-N 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.44Å; H383-R387 PolarHBondContact O-N 3.33Å
384	P	95.4	Very high	94	Very high	78 Å²	78	86.9 Å²	86.9	51%	0.506	41%	0.408	S	S	.	.	H	α-helix	trans	-52.9	-43.4	-167.7	16	-32.8	0	0	0	115	K388	P384-K388 VanDerWaalsContact O-CB 3.24Å; P384-K388 WeakPolarHBondContact O-CB 3.45Å; P384-K388 PolarHBondContact O-N 3.01Å
385	E	95.6	Very high	93.9	Very high	108 Å²	108	84.4 Å²	84.4	51%	0.505	40%	0.397	S	S	.	.	H	α-helix	trans	-71.7	-46.9	-179.4	-58.7	-168.2	131	0	0	112.6	Y37 H383 R387 K388 I389	Y37-E385 WeakPolarHBondContact OH-CB 3.16Å; Y37-E385 PolarHBondContact OH-OE2 3.15Å; H383-E385 PolarHBondContact O-N 2.64Å; H383-E385 VanDerWaalsContact O-N 3.16Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.01Å; E385-K388 WeakPolarHBondContact O-CB 3.34Å; E385-K388 PolarHBondContact O-N 2.98Å; E385-I389 WeakPolarHBondContact O-CD1 3.31Å; E385-I389 VanDerWaalsContact O-CG1 3.32Å; E385-I389 WeakPolarHBondContact O-CG1 3.45Å; E385-I389 PolarHBondContact O-N 2.93Å
386	V	96	Very high	93.8	Very high	0 Å²	0	83 Å²	83	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-48.2	176.7	176.7	0	0	0	0	109.2	Y37 I41 A44 F380 H383 K388 I389 L390	Y37-V386 HydrophobicContact CD2-CG2 4.5Å; Y37-V386 HydrophobicContact CE2-CG2 3.89Å; I41-V386 HydrophobicContact CG1-CG2 3.72Å; A44-V386 HydrophobicContact CB-CG1 4.37Å; F380-V386 HydrophobicContact CB-CG2 4.31Å; F380-V386 VanDerWaalsContact O-CB 3.32Å; F380-V386 WeakPolarHBondContact O-CB 3.44Å; F380-V386 WeakPolarHBondContact O-CG1 3.07Å; H383-V386 HydrophobicContact CB-CB 4.48Å; H383-V386 HydrophobicContact CB-CG2 4.49Å; H383-V386 PolarHBondContact O-N 3.24Å; V386-K388 VanDerWaalsContact C-N 3.33Å; V386-K388 PolarHBondContact O-N 3.03Å; V386-I389 PolarHBondContact O-N 3.2Å; V386-L390 HydrophobicContact CG1-CD1 3.77Å; V386-L390 HydrophobicContact CG1-CG 4.13Å; V386-L390 WeakPolarHBondContact O-CB 3.27Å; V386-L390 VanDerWaalsContact O-CG 3.26Å; V386-L390 WeakPolarHBondContact O-CG 3.23Å; V386-L390 PolarHBondContact O-N 2.73Å
387	R	94.7	Very high	93.7	Very high	117 Å²	117	91.5 Å²	91.5	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-56.4	-44.2	175.2	-169.1	170.5	63.4	-178.9	-2.3	112	K381 H383 E385 L390 K391	K381-R387 WeakPolarHBondContact O-CA 3.36Å; K381-R387 VanDerWaalsContact O-CB 3.31Å; K381-R387 WeakPolarHBondContact O-CB 3.34Å; H383-R387 WeakPolarHBondContact O-CB 3.44Å; H383-R387 PolarHBondContact O-N 3.33Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.01Å; R387-L390 PolarHBondContact O-N 2.84Å; R387-K391 HydrophobicContact CG-CD 4.25Å; R387-K391 HydrophobicContact CG-CG 4.39Å; R387-K391 VanDerWaalsContact O-CB 3.31Å; R387-K391 WeakPolarHBondContact O-CB 3.35Å; R387-K391 VanDerWaalsContact O-CG 3.3Å; R387-K391 WeakPolarHBondContact O-CG 3.44Å; R387-K391 PolarHBondContact O-N 2.83Å
388	K	95.4	Very high	93.7	Very high	164 Å²	164	93.9 Å²	93.9	71%	0.713	44%	0.443	S	S	*	.	H	α-helix	trans	-60.8	-46.8	177.4	-177.6	-178.6	178.8	-177.9	0	111.5	P384 E385 V386 K391 H392	P384-K388 VanDerWaalsContact O-CB 3.24Å; P384-K388 WeakPolarHBondContact O-CB 3.45Å; P384-K388 PolarHBondContact O-N 3.01Å; E385-K388 WeakPolarHBondContact O-CB 3.34Å; E385-K388 PolarHBondContact O-N 2.98Å; V386-K388 VanDerWaalsContact C-N 3.33Å; V386-K388 PolarHBondContact O-N 3.03Å; K388-K391 PolarHBondContact O-N 2.85Å; K388-H392 WeakPolarHBondContact O-CB 3.37Å; K388-H392 PolarHBondContact O-N 3.33Å
389	I	95.3	Very high	93.8	Very high	36 Å²	36	87.3 Å²	87.3	19%	0.185	41%	0.413	C	S	.	.	H	α-helix	trans	-63.5	-45.7	177.3	-64.3	159.6	0	0	0	110.4	I41 A44 K45 K48 E385 V386 K391 H392	I41-I389 HydrophobicContact CG2-CD1 4.05Å; A44-I389 HydrophobicContact CB-CB 4.42Å; A44-I389 HydrophobicContact CB-CG2 3.92Å; K45-I389 HydrophobicContact CG-CD1 3.9Å; K48-I389 WeakPolarHBondContact CE-O 3.22Å; K48-I389 HydrophobicContact CG-CG2 4.1Å; E385-I389 WeakPolarHBondContact O-CD1 3.31Å; E385-I389 VanDerWaalsContact O-CG1 3.32Å; E385-I389 WeakPolarHBondContact O-CG1 3.45Å; E385-I389 PolarHBondContact O-N 2.93Å; V386-I389 PolarHBondContact O-N 3.2Å; I389-K391 VanDerWaalsContact C-N 3.29Å; I389-K391 PolarHBondContact O-N 2.74Å; I389-H392 PolarHBondContact O-N 3.16Å
390	L	92.4	Very high	93.7	Very high	38 Å²	38	85.4 Å²	85.4	20%	0.199	41%	0.406	C	S	.	.	H	α-helix	trans	-67	-27.5	179.1	-68.7	-179.1	0	0	0	112.9	A44 R377 K381 V386 R387 R393	A44-L390 HydrophobicContact CB-CD2 4.08Å; A44-L390 HydrophobicContact CB-CG 4.44Å; R377-L390 HydrophobicContact CG-CD1 4.09Å; R377-L390 HydrophobicContact CG-CD2 3.97Å; K381-L390 HydrophobicContact CB-CD1 4.42Å; K381-L390 HydrophobicContact CG-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CD1 3.77Å; V386-L390 HydrophobicContact CG1-CG 4.13Å; V386-L390 WeakPolarHBondContact O-CB 3.27Å; V386-L390 VanDerWaalsContact O-CG 3.26Å; V386-L390 WeakPolarHBondContact O-CG 3.23Å; V386-L390 PolarHBondContact O-N 2.73Å; R387-L390 PolarHBondContact O-N 2.84Å; L390-R393 PolarHBondContact O-NH1 3.29Å; L390-R393 PolarHBondContact O-NH2 2.82Å
391	K	91.7	Very high	93.7	Very high	101 Å²	101	86.5 Å²	86.5	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-86.8	-25.4	176.2	-74.6	-166.7	179	-145.6	0	113.9	E314 R387 K388 I389 R393	E314-K391 IonicContact OE1-NZ 3.9Å; E314-K391 PolarHBondContact OE1-NZ 3.26Å; E314-K391 WeakPolarHBondContact OE2-CE 3.17Å; E314-K391 IonicContact OE2-NZ 3.38Å; E314-K391 PolarHBondContact OE2-NZ 3.28Å; R387-K391 HydrophobicContact CG-CD 4.25Å; R387-K391 HydrophobicContact CG-CG 4.39Å; R387-K391 VanDerWaalsContact O-CB 3.31Å; R387-K391 WeakPolarHBondContact O-CB 3.35Å; R387-K391 VanDerWaalsContact O-CG 3.3Å; R387-K391 WeakPolarHBondContact O-CG 3.44Å; R387-K391 PolarHBondContact O-N 2.83Å; K388-K391 PolarHBondContact O-N 2.85Å; I389-K391 VanDerWaalsContact C-N 3.29Å; I389-K391 PolarHBondContact O-N 2.74Å; K391-R393 PolarHBondContact O-N 2.87Å; K391-R393 PolarHBondContact O-NH1 3.47Å
392	H	91.6	Very high	93.9	Very high	133 Å²	133	83.4 Å²	83.4	62%	0.616	41%	0.412	S	S	*	.			trans	-61.9	129.2	-178	-177.6	-91.8	0	0	0	112.3	K388 I389	K388-H392 WeakPolarHBondContact O-CB 3.37Å; K388-H392 PolarHBondContact O-N 3.33Å; I389-H392 PolarHBondContact O-N 3.16Å
393	R	89.4	Confident	93.9	Very high	50 Å²	50	79.5 Å²	79.5	19%	0.189	40%	0.395	C	S	.	.			trans	-130	141.5	178.7	-61.5	-67.1	171.8	-85.5	-11.6	110.1	F316 V318 L390 K391 L395	F316-R393 PolarHBondContact O-NE 3.24Å; F316-R393 PolarHBondContact O-NH2 2.8Å; V318-R393 HydrophobicContact CG2-CG 4.28Å; L390-R393 PolarHBondContact O-NH1 3.29Å; L390-R393 PolarHBondContact O-NH2 2.82Å; K391-R393 PolarHBondContact O-N 2.87Å; K391-R393 PolarHBondContact O-NH1 3.47Å; R393-L395 HydrophobicContact CB-CG 4.18Å; R393-L395 PolarHBondContact O-N 2.9Å
394	H	89.5	Confident	93.9	Very high	154 Å²	154	81.6 Å²	81.6	71%	0.713	40%	0.403	S	S	*	.			trans	-85.7	98.6	171.2	-172.6	69.3	0	0	0	109.1	H320	H320-H394 PolarHBondContact NE2-O 2.81Å
395	L	92.1	Very high	94	Very high	39 Å²	39	83.3 Å²	83.3	20%	0.204	40%	0.404	C	S	.	.			trans	-104.8	150.5	178.6	-64.1	173	0	0	0	110.7	V318 R393	V318-L395 HydrophobicContact CB-CD2 4Å; V318-L395 HydrophobicContact CG1-CD2 3.58Å; V318-L395 HydrophobicContact CG2-CD2 4.28Å; R393-L395 HydrophobicContact CB-CG 4.18Å; R393-L395 PolarHBondContact O-N 2.9Å
396	P	93.9	Very high	93.9	Very high	39 Å²	39	80.2 Å²	80.2	25%	0.253	39%	0.389	S	S	.	.			trans	-55.6	147.2	167.2	-21.9	33.4	0	0	0	111.4	T398 I399 H400	P396-T398 PolarHBondContact O-N 3.44Å; P396-I399 HydrophobicContact CB-CD1 4.36Å; P396-I399 HydrophobicContact CB-CG1 4.23Å; P396-I399 HydrophobicContact CG-CD1 3.88Å; P396-I399 HydrophobicContact CG-CG1 4.28Å; P396-I399 PolarHBondContact O-N 2.86Å; P396-H400 PolarHBondContact O-N 2.89Å
397	K	94.8	Very high	93.8	Very high	196 Å²	196	82.5 Å²	82.5	85%	0.852	41%	0.408	S	S	*	.	H	α-helix	trans	-56	-39.3	-177.6	-69.7	-177.2	177.9	-179.2	0	112.9	H400 A401	K397-H400 PolarHBondContact O-N 2.85Å; K397-A401 WeakPolarHBondContact O-CB 3.44Å; K397-A401 PolarHBondContact O-N 2.91Å
398	T	93.6	Very high	93.9	Very high	101 Å²	101	81.7 Å²	81.7	62%	0.62	42%	0.416	S	S	*	.	H	α-helix	trans	-60.9	-50.4	178.7	49.2	0	0	0	0	111.4	P396 H400 A401 S402	P396-T398 PolarHBondContact O-N 3.44Å; T398-H400 VanDerWaalsContact C-N 3.32Å; T398-H400 PolarHBondContact O-N 2.89Å; T398-A401 PolarHBondContact O-N 3.04Å; T398-S402 PolarHBondContact O-N 3.47Å; T398-S402 PolarHBondContact O-OG 3.06Å
399	I	94.7	Very high	93.8	Very high	10 Å²	10	77.2 Å²	77.2	5%	0.051	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-39.1	179.6	-55.9	-172.9	0	0	0	110.9	V281 D302 T304 P396 S403	V281-I399 HydrophobicContact CG2-CG2 3.84Å; D302-I399 VanDerWaalsContact O-CD1 3.23Å; D302-I399 WeakPolarHBondContact O-CD1 3.19Å; T304-I399 HydrophobicContact CG2-CD1 3.2Å; P396-I399 HydrophobicContact CB-CD1 4.36Å; P396-I399 HydrophobicContact CB-CG1 4.23Å; P396-I399 HydrophobicContact CG-CD1 3.88Å; P396-I399 HydrophobicContact CG-CG1 4.28Å; P396-I399 PolarHBondContact O-N 2.86Å; I399-S403 WeakPolarHBondContact O-CB 3.31Å; I399-S403 PolarHBondContact O-N 2.66Å
400	H	93.9	Very high	93.7	Very high	92 Å²	92	79.4 Å²	79.4	43%	0.426	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-41.7	175.5	-171.8	62.8	0	0	0	112.4	P396 K397 T398 K404	P396-H400 PolarHBondContact O-N 2.89Å; K397-H400 PolarHBondContact O-N 2.85Å; T398-H400 VanDerWaalsContact C-N 3.32Å; T398-H400 PolarHBondContact O-N 2.89Å; H400-K404 VanDerWaalsContact NE2-CE 3.29Å; H400-K404 WeakPolarHBondContact NE2-CE 3.45Å; H400-K404 WeakPolarHBondContact O-CG 3.4Å; H400-K404 PolarHBondContact O-N 2.99Å
401	A	96.7	Very high	93.8	Very high	57 Å²	57	80.4 Å²	80.4	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-64.3	-50.8	177.3	0	0	0	0	0	111.5	K397 T398 S403 K404 E405	K397-A401 WeakPolarHBondContact O-CB 3.44Å; K397-A401 PolarHBondContact O-N 2.91Å; T398-A401 PolarHBondContact O-N 3.04Å; A401-S403 VanDerWaalsContact C-N 3.35Å; A401-S403 PolarHBondContact O-N 2.94Å; A401-K404 WeakPolarHBondContact O-CB 3.37Å; A401-K404 PolarHBondContact O-N 3.11Å; A401-E405 PolarHBondContact O-N 3.4Å
402	S	96.4	Very high	94.1	Very high	35 Å²	35	83.2 Å²	83.2	25%	0.245	43%	0.431	C	S	.	.	H	α-helix	trans	-67	-33.4	179.7	-55.9	0	0	0	0	112.9	T398 K404 E405 H406	T398-S402 PolarHBondContact O-N 3.47Å; T398-S402 PolarHBondContact O-OG 3.06Å; S402-K404 VanDerWaalsContact C-N 3.32Å; S402-K404 PolarHBondContact O-N 3.35Å; S402-E405 WeakPolarHBondContact O-CB 3.49Å; S402-E405 PolarHBondContact O-N 3.05Å; S402-H406 PolarHBondContact O-CD2 2.78Å; S402-H406 VanDerWaalsContact O-CD2 3.28Å; S402-H406 PolarHBondContact O-N 2.87Å
403	S	94.1	Very high	94.1	Very high	41 Å²	41	81.8 Å²	81.8	29%	0.287	43%	0.425	S	S	.	.	H	α-helix	trans	-62	-39.8	172.8	-179.8	0	0	0	0	112.1	I399 A401 A407	I399-S403 WeakPolarHBondContact O-CB 3.31Å; I399-S403 PolarHBondContact O-N 2.66Å; A401-S403 VanDerWaalsContact C-N 3.35Å; A401-S403 PolarHBondContact O-N 2.94Å; S403-A407 PolarHBondContact O-N 2.62Å
404	K	95.6	Very high	94.2	Very high	124 Å²	124	85.7 Å²	85.7	54%	0.539	44%	0.439	S	S	.	.	H	α-helix	trans	-64.5	-43.5	172.3	-72.9	176.2	174.4	-177.7	0	111.5	H400 A401 S402 A407 V408	H400-K404 VanDerWaalsContact NE2-CE 3.29Å; H400-K404 WeakPolarHBondContact NE2-CE 3.45Å; H400-K404 WeakPolarHBondContact O-CG 3.4Å; H400-K404 PolarHBondContact O-N 2.99Å; A401-K404 WeakPolarHBondContact O-CB 3.37Å; A401-K404 PolarHBondContact O-N 3.11Å; S402-K404 VanDerWaalsContact C-N 3.32Å; S402-K404 PolarHBondContact O-N 3.35Å; K404-A407 WeakPolarHBondContact O-CB 3.39Å; K404-A407 PolarHBondContact O-N 2.84Å; K404-A407 VanDerWaalsContact O-N 3.15Å; K404-V408 WeakPolarHBondContact O-CG2 3.37Å; K404-V408 PolarHBondContact O-N 2.95Å
405	E	96.2	Very high	94.4	Very high	115 Å²	115	86.9 Å²	86.9	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-58.5	-48.1	176.5	-172.6	179.6	-179.1	0	0	111.5	A401 S402 A407 V408 I409	A401-E405 PolarHBondContact O-N 3.4Å; S402-E405 WeakPolarHBondContact O-CB 3.49Å; S402-E405 PolarHBondContact O-N 3.05Å; E405-A407 VanDerWaalsContact C-N 3.25Å; E405-A407 PolarHBondContact O-N 3.03Å; E405-V408 WeakPolarHBondContact O-CB 3.11Å; E405-V408 PolarHBondContact O-N 2.92Å; E405-I409 HydrophobicContact CG-CD1 4.01Å; E405-I409 WeakPolarHBondContact O-CG1 3.34Å; E405-I409 PolarHBondContact O-N 2.76Å
406	H	93.8	Very high	94.4	Very high	43 Å²	43	92.2 Å²	92.2	20%	0.199	46%	0.459	C	S	.	.	H	α-helix	trans	-60.5	-33.7	175.5	-71.4	-164.8	0	0	0	112.5	Y260 V281 S402 R410	Y260-H406 AromaticContact CD2-CE1 3.47Å; Y260-H406 VanDerWaalsContact CD2-CE1 3.47Å; Y260-H406 WeakPolarHBondContact CD2-CE1 3.18Å; Y260-H406 AromaticContact CE2-CE1 3.62Å; V281-H406 PolarHBondContact O-CE1 3.01Å; S402-H406 PolarHBondContact O-CD2 2.78Å; S402-H406 VanDerWaalsContact O-CD2 3.28Å; S402-H406 PolarHBondContact O-N 2.87Å; H406-R410 WeakPolarHBondContact O-CB 3.39Å; H406-R410 WeakPolarHBondContact O-CG 3.49Å; H406-R410 PolarHBondContact O-N 3.44Å; H406-R410 PolarHBondContact O-NE 3.38Å
407	A	93.6	Very high	94.1	Very high	48 Å²	48	93.4 Å²	93.4	40%	0.397	46%	0.461	S	S	.	.	H	α-helix	trans	-67.5	-40.9	173.6	0	0	0	0	0	111.8	S403 K404 E405 A411	S403-A407 PolarHBondContact O-N 2.62Å; K404-A407 WeakPolarHBondContact O-CB 3.39Å; K404-A407 PolarHBondContact O-N 2.84Å; K404-A407 VanDerWaalsContact O-N 3.15Å; E405-A407 VanDerWaalsContact C-N 3.25Å; E405-A407 PolarHBondContact O-N 3.03Å; A407-A411 WeakPolarHBondContact O-CB 3.18Å; A407-A411 PolarHBondContact O-N 3.08Å
408	V	97	Very high	93.9	Very high	99 Å²	99	91.6 Å²	91.6	60%	0.6	45%	0.449	S	S	*	.	H	α-helix	trans	-65.9	-46.2	176.6	173.9	0	0	0	0	111.3	K404 E405 R410 A411 K412	K404-V408 WeakPolarHBondContact O-CG2 3.37Å; K404-V408 PolarHBondContact O-N 2.95Å; E405-V408 WeakPolarHBondContact O-CB 3.11Å; E405-V408 PolarHBondContact O-N 2.92Å; V408-R410 PolarHBondContact O-N 3.07Å; V408-A411 PolarHBondContact O-N 3.09Å; V408-K412 WeakPolarHBondContact O-CB 3.19Å; V408-K412 PolarHBondContact O-N 3.19Å
409	I	94.7	Very high	93.8	Very high	71 Å²	71	89.8 Å²	89.8	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-57.7	-50.4	178	-67.2	167.7	0	0	0	110.3	E405 A411 K412 E413	E405-I409 HydrophobicContact CG-CD1 4.01Å; E405-I409 WeakPolarHBondContact O-CG1 3.34Å; E405-I409 PolarHBondContact O-N 2.76Å; I409-A411 PolarHBondContact O-N 3.41Å; I409-K412 WeakPolarHBondContact O-CB 3.31Å; I409-K412 PolarHBondContact O-N 3.04Å; I409-K412 VanDerWaalsContact O-N 3.12Å; I409-E413 WeakPolarHBondContact O-CG 3.5Å; I409-E413 PolarHBondContact O-N 3.32Å
410	R	91.7	Very high	93.5	Very high	81 Å²	81	91.1 Å²	91.1	31%	0.306	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-37.8	178.9	-72.8	178.2	-66.2	177.1	0.3	113.1	H406 V408 K412 E413 R414	H406-R410 WeakPolarHBondContact O-CB 3.39Å; H406-R410 WeakPolarHBondContact O-CG 3.49Å; H406-R410 PolarHBondContact O-N 3.44Å; H406-R410 PolarHBondContact O-NE 3.38Å; V408-R410 PolarHBondContact O-N 3.07Å; R410-K412 VanDerWaalsContact C-N 3.31Å; R410-E413 PolarHBondContact O-N 3.25Å; R410-R414 WeakPolarHBondContact O-CB 3.21Å; R410-R414 VanDerWaalsContact O-CG 3.28Å; R410-R414 WeakPolarHBondContact O-CG 3.39Å; R410-R414 PolarHBondContact O-N 2.84Å
411	A	95	Very high	93.2	Very high	59 Å²	59	91.2 Å²	91.2	49%	0.488	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-39.6	175.1	0	0	0	0	0	111.3	A407 V408 I409 R415	A407-A411 WeakPolarHBondContact O-CB 3.18Å; A407-A411 PolarHBondContact O-N 3.08Å; V408-A411 PolarHBondContact O-N 3.09Å; I409-A411 PolarHBondContact O-N 3.41Å; A411-R415 WeakPolarHBondContact O-CB 3.41Å; A411-R415 PolarHBondContact O-N 3.19Å
412	K	96.9	Very high	92.7	Very high	161 Å²	161	93.2 Å²	93.2	70%	0.7	44%	0.443	S	S	*	.	H	α-helix	trans	-64.1	-46	174.5	-179.2	-176.4	176.2	-176.2	0	111.7	V408 I409 R410 R415 K416	V408-K412 WeakPolarHBondContact O-CB 3.19Å; V408-K412 PolarHBondContact O-N 3.19Å; I409-K412 WeakPolarHBondContact O-CB 3.31Å; I409-K412 PolarHBondContact O-N 3.04Å; I409-K412 VanDerWaalsContact O-N 3.12Å; R410-K412 VanDerWaalsContact C-N 3.31Å; K412-R415 PolarHBondContact O-N 3.23Å; K412-K416 WeakPolarHBondContact O-CB 3.29Å; K412-K416 PolarHBondContact O-N 2.62Å
413	E	92.5	Very high	92.3	Very high	102 Å²	102	98.8 Å²	98.8	48%	0.477	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-48.3	177.4	-73.6	172.5	169.1	0	0	112.1	I409 R410 R415 K416 E417	I409-E413 WeakPolarHBondContact O-CG 3.5Å; I409-E413 PolarHBondContact O-N 3.32Å; R410-E413 PolarHBondContact O-N 3.25Å; E413-R415 VanDerWaalsContact C-N 3.26Å; E413-R415 PolarHBondContact O-N 3.37Å; E413-K416 WeakPolarHBondContact O-CA 3.44Å; E413-K416 WeakPolarHBondContact O-CB 3.17Å; E413-K416 PolarHBondContact O-N 2.88Å; E413-E417 WeakPolarHBondContact O-CG 3.01Å; E413-E417 PolarHBondContact O-N 2.77Å
414	R	90.9	Very high	91.6	Very high	132 Å²	132	100.9 Å²	100.9	50%	0.498	47%	0.471	S	S	.	.	H	α-helix	trans	-58.1	-39.9	175.1	-74.1	174.5	176.8	-176.6	-4.8	112.1	R410 R418 D433	R410-R414 WeakPolarHBondContact O-CB 3.21Å; R410-R414 VanDerWaalsContact O-CG 3.28Å; R410-R414 WeakPolarHBondContact O-CG 3.39Å; R410-R414 PolarHBondContact O-N 2.84Å; R414-R418 VanDerWaalsContact O-CB 3.27Å; R414-R418 WeakPolarHBondContact O-CB 3.35Å; R414-R418 PolarHBondContact O-N 2.84Å; R414-D433 IonicContact CZ-OD2 2.92Å; R414-D433 IonicContact NH2-OD2 3.93Å; R414-D433 PolarHBondContact NH2-OD2 3.3Å
415	R	93.4	Very high	90.6	Very high	179 Å²	179	105 Å²	105	68%	0.675	49%	0.489	S	S	*	.	H	α-helix	trans	-65.6	-43	174.7	-176.4	176.8	179.6	168.7	-0.8	111.3	A411 K412 E413 R418 N419	A411-R415 WeakPolarHBondContact O-CB 3.41Å; A411-R415 PolarHBondContact O-N 3.19Å; K412-R415 PolarHBondContact O-N 3.23Å; E413-R415 VanDerWaalsContact C-N 3.26Å; E413-R415 PolarHBondContact O-N 3.37Å; R415-R418 PolarHBondContact O-N 2.93Å; R415-N419 WeakPolarHBondContact O-CB 3.38Å; R415-N419 VanDerWaalsContact O-CG 3.22Å; R415-N419 PolarHBondContact O-N 3.32Å; R415-N419 PolarHBondContact O-OD1 2.88Å
416	K	92.3	Very high	89.5	Confident	151 Å²	151	104.6 Å²	104.6	66%	0.657	49%	0.49	S	S	*	.	H	α-helix	trans	-60.3	-51.3	176.7	-174.2	-176	176.8	-173	0	111	K412 E413 R418 N419 T420	K412-K416 WeakPolarHBondContact O-CB 3.29Å; K412-K416 PolarHBondContact O-N 2.62Å; E413-K416 WeakPolarHBondContact O-CA 3.44Å; E413-K416 WeakPolarHBondContact O-CB 3.17Å; E413-K416 PolarHBondContact O-N 2.88Å; K416-R418 VanDerWaalsContact C-N 3.31Å; K416-R418 PolarHBondContact O-N 3.2Å; K416-N419 PolarHBondContact O-N 2.8Å; K416-N419 VanDerWaalsContact O-N 3.14Å; K416-T420 WeakPolarHBondContact O-CG2 3.47Å; K416-T420 PolarHBondContact O-N 2.79Å; K416-T420 PolarHBondContact O-OG1 2.91Å
417	E	89	Confident	88.8	Confident	64 Å²	64	110.5 Å²	110.5	30%	0.299	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-35.3	177.8	-70.7	177.4	-179.9	0	0	113.2	E413 T420 R421 K436	E413-E417 WeakPolarHBondContact O-CG 3.01Å; E413-E417 PolarHBondContact O-N 2.77Å; E417-T420 WeakPolarHBondContact CA-OG1 3.2Å; E417-T420 PolarHBondContact O-OG1 2.79Å; E417-R421 WeakPolarHBondContact O-CG 3.43Å; E417-R421 PolarHBondContact O-N 3.38Å; E417-R421 PolarHBondContact O-NE 3.16Å; E417-K436 IonicContact OE1-NZ 2.72Å; E417-K436 PolarHBondContact OE1-NZ 3.2Å; E417-K436 IonicContact OE2-NZ 3.79Å; E417-K436 PolarHBondContact OE2-NZ 3.19Å
418	R	89.2	Confident	88.1	Confident	159 Å²	159	112.6 Å²	112.6	60%	0.6	53%	0.527	S	S	*	.	H	α-helix	trans	-66.3	-45.7	173.4	-178.3	-176.1	176.6	-161.1	-1.3	110.4	R414 R415 K416 R421 I422	R414-R418 VanDerWaalsContact O-CB 3.27Å; R414-R418 WeakPolarHBondContact O-CB 3.35Å; R414-R418 PolarHBondContact O-N 2.84Å; R415-R418 PolarHBondContact O-N 2.93Å; K416-R418 VanDerWaalsContact C-N 3.31Å; K416-R418 PolarHBondContact O-N 3.2Å; R418-R421 PolarHBondContact O-N 2.54Å; R418-I422 HydrophobicContact CG-CD1 3.73Å; R418-I422 VanDerWaalsContact O-CG1 3.3Å; R418-I422 WeakPolarHBondContact O-CG1 3.37Å; R418-I422 PolarHBondContact O-N 2.92Å
419	N	91.4	Very high	87.5	Confident	62 Å²	62	112.9 Å²	112.9	33%	0.332	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-42.3	179.4	-74	1.1	0	0	0	111.7	R415 K416 R421 I422 F423	R415-N419 WeakPolarHBondContact O-CB 3.38Å; R415-N419 VanDerWaalsContact O-CG 3.22Å; R415-N419 PolarHBondContact O-N 3.32Å; R415-N419 PolarHBondContact O-OD1 2.88Å; K416-N419 PolarHBondContact O-N 2.8Å; K416-N419 VanDerWaalsContact O-N 3.14Å; N419-R421 VanDerWaalsContact C-N 3.3Å; N419-R421 PolarHBondContact O-N 2.78Å; N419-I422 PolarHBondContact O-N 3.13Å; N419-F423 HydrophobicContact CB-CD2 4.1Å; N419-F423 HydrophobicContact CB-CE2 4.48Å; N419-F423 WeakPolarHBondContact O-CB 2.96Å; N419-F423 VanDerWaalsContact O-CD2 3.3Å; N419-F423 WeakPolarHBondContact O-CD2 3.47Å; N419-F423 PolarHBondContact O-N 3.05Å
420	T	90	Very high	87.2	Confident	39 Å²	39	115.8 Å²	115.8	24%	0.239	54%	0.541	C	S	.	.	H	α-helix	trans	-61.4	-39.5	176.6	52.2	0	0	0	0	111.4	K416 E417 N424	K416-T420 WeakPolarHBondContact O-CG2 3.47Å; K416-T420 PolarHBondContact O-N 2.79Å; K416-T420 PolarHBondContact O-OG1 2.91Å; E417-T420 WeakPolarHBondContact CA-OG1 3.2Å; E417-T420 PolarHBondContact O-OG1 2.79Å; T420-N424 WeakPolarHBondContact O-CA 3.45Å; T420-N424 WeakPolarHBondContact O-CB 3.28Å; T420-N424 PolarHBondContact O-N 2.77Å
421	R	86.2	Confident	87	Confident	94 Å²	94	114.7 Å²	114.7	36%	0.355	54%	0.544	S	S	.	.	H	α-helix	trans	-68	-33.1	176	-75.8	179.3	-73.2	160.3	-9.6	114.3	E417 R418 N419 L428 F430	E417-R421 WeakPolarHBondContact O-CG 3.43Å; E417-R421 PolarHBondContact O-N 3.38Å; E417-R421 PolarHBondContact O-NE 3.16Å; R418-R421 PolarHBondContact O-N 2.54Å; N419-R421 VanDerWaalsContact C-N 3.3Å; N419-R421 PolarHBondContact O-N 2.78Å; R421-L428 HydrophobicContact CG-CB 4.27Å; R421-F430 VanDerWaalsContact NH1-CD2 3.33Å
422	I	86.6	Confident	86.7	Confident	99 Å²	99	113.7 Å²	113.7	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-82.7	-42.3	-178	-67.3	170.9	0	0	0	111.2	R418 N419	R418-I422 HydrophobicContact CG-CD1 3.73Å; R418-I422 VanDerWaalsContact O-CG1 3.3Å; R418-I422 WeakPolarHBondContact O-CG1 3.37Å; R418-I422 PolarHBondContact O-N 2.92Å; N419-I422 PolarHBondContact O-N 3.13Å
423	F	87	Confident	86.2	Confident	151 Å²	151	108 Å²	108	66%	0.662	51%	0.509	S	S	*	.	H	α-helix	trans	-102.9	-29.8	-168.2	-64.9	-69.7	0	0	0	113.9	N419	N419-F423 HydrophobicContact CB-CD2 4.1Å; N419-F423 HydrophobicContact CB-CE2 4.48Å; N419-F423 WeakPolarHBondContact O-CB 2.96Å; N419-F423 VanDerWaalsContact O-CD2 3.3Å; N419-F423 WeakPolarHBondContact O-CD2 3.47Å; N419-F423 PolarHBondContact O-N 3.05Å
424	N	79.9	Confident	85.8	Confident	85 Å²	85	108.8 Å²	108.8	46%	0.455	51%	0.508	S	S	.	.	S	Bend	trans	-83.9	126	171.2	-59.6	-11.3	0	0	0	106.9	T420 N426	T420-N424 WeakPolarHBondContact O-CA 3.45Å; T420-N424 WeakPolarHBondContact O-CB 3.28Å; T420-N424 PolarHBondContact O-N 2.77Å; N424-N426 PolarHBondContact O-N 3.17Å
425	K	74.8	Confident	85.7	Confident	212 Å²	212	105 Å²	105	92%	0.922	50%	0.496	S	S	*	.	S	Bend	trans	-65.2	18.4	176.6	-62.8	-177.3	176.6	-178.5	0	114
426	N	74.3	Confident	85.4	Confident	105 Å²	105	99.3 Å²	99.3	56%	0.561	48%	0.476	S	S	*	.	S	Bend	trans	-95.5	116.5	175.9	-63.3	1.2	0	0	0	106.4	N424 L428	N424-N426 PolarHBondContact O-N 3.17Å; N426-L428 HydrophobicContact CB-CG 4.22Å; N426-L428 PolarHBondContact O-N 3.23Å
427	D	77.3	Confident	85.3	Confident	167 Å²	167	94 Å²	94	89%	0.893	45%	0.453	S	S	*	.			trans	-67.3	66	174.9	-73.4	-27.9	0	0	0	111	P429	D427-P429 WeakPolarHBondContact O-CD 3.16Å
428	L	79.9	Confident	85.5	Confident	93 Å²	93	91.9 Å²	91.9	49%	0.487	45%	0.445	S	S	.	.			trans	-71.6	120.1	177.6	-71.6	170.6	0	0	0	108.9	R421 N426	R421-L428 HydrophobicContact CG-CB 4.27Å; N426-L428 HydrophobicContact CB-CG 4.22Å; N426-L428 PolarHBondContact O-N 3.23Å
429	P	85.3	Confident	85.6	Confident	104 Å²	104	88.4 Å²	88.4	68%	0.675	44%	0.441	S	S	*	.			trans	-65.2	149	-179.3	26.5	-33.8	0	0	0	111.1	D427 V431	D427-P429 WeakPolarHBondContact O-CD 3.16Å; P429-V431 PolarHBondContact O-N 2.91Å
430	F	86.8	Confident	85.5	Confident	132 Å²	132	86.6 Å²	86.6	58%	0.579	44%	0.435	S	S	*	.			trans	-73.9	106.7	170.9	175.6	-106.3	0	0	0	109.6	R421 P432	R421-F430 VanDerWaalsContact NH1-CD2 3.33Å; F430-P432 WeakPolarHBondContact O-CD 2.87Å
431	V	87.6	Confident	85.4	Confident	59 Å²	59	88.4 Å²	88.4	36%	0.358	44%	0.44	S	S	.	.			trans	-85.7	121.1	173.2	-175.6	0	0	0	0	109	P429 E435 K436	P429-V431 PolarHBondContact O-N 2.91Å; V431-E435 HydrophobicContact CG1-CB 3.82Å; V431-K436 HydrophobicContact CB-CG 4.16Å; V431-K436 HydrophobicContact CG1-CG 3.75Å; V431-K436 WeakPolarHBondContact O-CE 3.39Å
432	P	88.6	Confident	85.5	Confident	37 Å²	37	88.7 Å²	88.7	24%	0.24	44%	0.442	C	S	.	.			trans	-57.8	142.4	174.3	-24.4	34.7	0	0	0	111.8	F430 R434 E435 K436	F430-P432 WeakPolarHBondContact O-CD 2.87Å; P432-R434 HydrophobicContact CB-CG 4.19Å; P432-R434 PolarHBondContact O-N 3.4Å; P432-E435 HydrophobicContact CB-CG 4.39Å; P432-E435 HydrophobicContact CG-CG 4.49Å; P432-E435 PolarHBondContact O-N 3.28Å; P432-K436 PolarHBondContact O-N 2.65Å
433	D	86	Confident	85.2	Confident	42 Å²	42	93.4 Å²	93.4	23%	0.225	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-27.9	-179.2	-83.5	6.1	0	0	0	113.5	R278 R414 K436 H437	R278-D433 IonicContact CZ-OD2 3.14Å; R278-D433 IonicContact NH1-OD2 2.69Å; R278-D433 PolarHBondContact NH1-OD2 3.04Å; R278-D433 IonicContact NH2-OD2 2.97Å; R278-D433 PolarHBondContact NH2-OD2 3.2Å; R414-D433 IonicContact CZ-OD2 2.92Å; R414-D433 IonicContact NH2-OD2 3.93Å; R414-D433 PolarHBondContact NH2-OD2 3.3Å; D433-K436 IonicContact OD1-NZ 2.74Å; D433-K436 PolarHBondContact OD1-NZ 3.4Å; D433-H437 PolarHBondContact O-CD2 3.18Å; D433-H437 VanDerWaalsContact O-CD2 3.24Å
434	R	85.4	Confident	85.1	Confident	118 Å²	118	90.6 Å²	90.6	45%	0.445	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.6	178.5	72	-172.8	174.5	-170	-2.8	113.9	P273 V276 P432	P273-R434 VanDerWaalsContact CD-O 3.23Å; P273-R434 WeakPolarHBondContact CD-O 3.37Å; P273-R434 HydrophobicContact CG-CB 4.29Å; P273-R434 WeakPolarHBondContact CG-O 3.31Å; V276-R434 HydrophobicContact CG2-CB 4.22Å; P432-R434 HydrophobicContact CB-CG 4.19Å; P432-R434 PolarHBondContact O-N 3.4Å
435	E	88	Confident	85.4	Confident	53 Å²	53	90.8 Å²	90.8	25%	0.248	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-25.6	-176.4	-58.4	179.3	-167.7	0	0	111	F272 V431 P432 H437 V438	F272-E435 HydrophobicContact CB-CG 4.19Å; F272-E435 HydrophobicContact CD1-CB 3.86Å; F272-E435 HydrophobicContact CD1-CG 3.68Å; F272-E435 HydrophobicContact CD2-CG 4.12Å; F272-E435 HydrophobicContact CE1-CB 4Å; F272-E435 HydrophobicContact CE1-CG 3.99Å; F272-E435 HydrophobicContact CE2-CG 4.41Å; F272-E435 HydrophobicContact CG-CB 4.42Å; F272-E435 HydrophobicContact CG-CG 3.74Å; F272-E435 HydrophobicContact CZ-CG 4.34Å; V431-E435 HydrophobicContact CG1-CB 3.82Å; P432-E435 HydrophobicContact CB-CG 4.39Å; P432-E435 HydrophobicContact CG-CG 4.49Å; P432-E435 PolarHBondContact O-N 3.28Å; E435-H437 PolarHBondContact O-N 3.28Å; E435-H437 VanDerWaalsContact O-N 3.1Å; E435-V438 PolarHBondContact O-N 2.82Å; E435-V438 VanDerWaalsContact O-N 3.15Å
436	K	87.7	Confident	86	Confident	60 Å²	60	84.1 Å²	84.1	26%	0.261	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.5	-179.5	-68.7	-174.5	-178.9	178.4	0	114.4	E417 V431 P432 D433	E417-K436 IonicContact OE1-NZ 2.72Å; E417-K436 PolarHBondContact OE1-NZ 3.2Å; E417-K436 IonicContact OE2-NZ 3.79Å; E417-K436 PolarHBondContact OE2-NZ 3.19Å; V431-K436 HydrophobicContact CB-CG 4.16Å; V431-K436 HydrophobicContact CG1-CG 3.75Å; V431-K436 WeakPolarHBondContact O-CE 3.39Å; P432-K436 PolarHBondContact O-N 2.65Å; D433-K436 IonicContact OD1-NZ 2.74Å; D433-K436 PolarHBondContact OD1-NZ 3.4Å
437	H	90.5	Very high	86.7	Confident	39 Å²	39	82.9 Å²	82.9	18%	0.181	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.6	-174.4	-61.6	-64	0	0	0	114	M236 D237 Y263 D433 E435	M236-H437 CarbonylContact C-O 3.58Å; M236-H437 WeakPolarHBondContact CA-O 3.39Å; M236-H437 HydrophobicContact CE-CB 3.87Å; M236-H437 WeakPolarHBondContact CE-O 3.17Å; D237-H437 PolarHBondContact N-O 3.07Å; D237-H437 WeakPolarHBondContact OD2-CA 3.48Å; D237-H437 IonicContact OD2-ND1 3.37Å; Y263-H437 HydrophobicContact CE1-CB 4.48Å; Y263-H437 PolarHBondContact OH-CD2 3.02Å; Y263-H437 VanDerWaalsContact OH-CG 3.25Å; D433-H437 PolarHBondContact O-CD2 3.18Å; D433-H437 VanDerWaalsContact O-CD2 3.24Å; E435-H437 PolarHBondContact O-N 3.28Å; E435-H437 VanDerWaalsContact O-N 3.1Å
438	V	92.1	Very high	87.2	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.115	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.3	178.3	179.3	0	0	0	0	108.7	V234 M236 F272 E435 Q441	V234-V438 HydrophobicContact CG1-CG1 3.86Å; V234-V438 HydrophobicContact CG1-CG2 4.43Å; M236-V438 HydrophobicContact CE-CG2 4.39Å; M236-V438 HydrophobicContact SD-CG2 3.78Å; F272-V438 HydrophobicContact CD1-CB 4.12Å; F272-V438 HydrophobicContact CD1-CG1 4.42Å; F272-V438 HydrophobicContact CD1-CG2 4Å; E435-V438 PolarHBondContact O-N 2.82Å; E435-V438 VanDerWaalsContact O-N 3.15Å; V438-Q441 HydrophobicContact CG1-CG 4.1Å
439	V	91.2	Very high	87.7	Confident	86 Å²	86	76.6 Å²	76.6	52%	0.521	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-49.5	-179.4	179.8	0	0	0	0	111.3	K235 D237	K235-V439 HydrophobicContact CG-CB 4.31Å; K235-V439 PolarHBondContact O-N 3.35Å; D237-V439 HydrophobicContact CB-CG2 4.44Å; D237-V439 WeakPolarHBondContact OD1-CG2 3.23Å
440	A	90.3	Very high	87.9	Confident	24 Å²	24	74.6 Å²	74.6	20%	0.198	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.2	-171.8	0	0	0	0	0	111.9	K235 Y442	K235-A440 HydrophobicContact CB-CB 4.21Å; K235-A440 PolarHBondContact N-O 3.15Å; K235-A440 PolarHBondContact O-N 3.09Å; A440-Y442 HydrophobicContact CB-CE2 3.73Å
441	Q	87.6	Confident	88	Confident	77 Å²	77	70.2 Å²	70.2	36%	0.36	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.9	178.4	-63.5	168.7	16.1	0	0	108.5	V234 K271 V438	V234-Q441 HydrophobicContact CG2-CG 4.5Å; K271-Q441 PolarHBondContact O-NE2 3.18Å; V438-Q441 HydrophobicContact CG1-CG 4.1Å
442	Y	88.2	Confident	88	Confident	101 Å²	101	71.2 Å²	71.2	40%	0.396	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.2	177	-51.7	-91.5	0	0	0	109	W193 K233 A440	W193-Y442 HydrophobicContact CZ2-CD1 4.28Å; W193-Y442 AromaticContact CZ2-CG 3.97Å; W193-Y442 HydrophobicContact CZ2-CG 3.97Å; K233-Y442 HydrophobicContact CB-CD2 4.21Å; K233-Y442 HydrophobicContact CD-CD2 4.23Å; K233-Y442 HydrophobicContact CG-CD2 4.02Å; K233-Y442 PolarHBondContact N-O 3.18Å; K233-Y442 PolarHBondContact O-N 2.56Å; A440-Y442 HydrophobicContact CB-CE2 3.73Å
443	K	80.7	Confident	88	Confident	198 Å²	198	74.3 Å²	74.3	86%	0.861	35%	0.346	S	S	*	.			trans	-112.6	0	178	-75	-172.6	179.5	-179.2	0	110.2	I231	I231-K443 VanDerWaalsContact O-OXT 3.09Å

Retrieved 443 of 443 residues in 852.3 ms (Link to these results)

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