A0A077Z2V6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2V6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	31.8	Very low	238 Å²	238	166 Å²	166	100%	1.172	86%	0.857	S	S	*	*				0	98.1	0	-90.7	170.3	135.9	0	0	106.9
2	F	26.4	Very low	32.3	Very low	217 Å²	217	168.6 Å²	168.6	95%	0.952	86%	0.857	S	S	*	*			trans	-97.3	102.9	-172.7	-82.5	-80.6	0	0	0	110.3
3	K	27.7	Very low	32.6	Very low	182 Å²	182	161.6 Å²	161.6	79%	0.791	83%	0.833	S	S	*	*			trans	-84.9	124	161	-136.5	-178.3	-176.7	-169.9	0	106.2	E5	K3-E5 PolarHBondContact O-N 3.28Å
4	P	37.3	Very low	33	Very low	125 Å²	125	161.1 Å²	161.1	81%	0.812	83%	0.832	S	S	*	*			trans	-88.6	98	-176.5	32.2	-28.3	0	0	0	109.4
5	E	28	Very low	33.8	Very low	164 Å²	164	156.7 Å²	156.7	77%	0.766	82%	0.821	S	S	*	*			trans	-137.5	119	161	-77.3	-179.6	-179.2	0	0	107.4	K3	K3-E5 PolarHBondContact O-N 3.28Å
6	T	31.1	Very low	34.7	Very low	137 Å²	137	157.4 Å²	157.4	84%	0.84	83%	0.825	S	S	*	*			trans	-165.8	101	146.3	14.4	0	0	0	0	107.6	C8	T6-C8 PolarHBondContact O-N 3.36Å
7	S	32.9	Very low	35.5	Very low	105 Å²	105	152.6 Å²	152.6	73%	0.734	81%	0.808	S	S	*	*			trans	-48.5	125.8	161.5	43.7	0	0	0	0	110.2	E9	S7-E9 PolarHBondContact O-N 2.7Å
8	C	34	Very low	36.1	Very low	128 Å²	128	148.8 Å²	148.8	87%	0.865	79%	0.787	S	S	*	*			trans	-74.6	85.9	174.4	-73.6	0	0	0	0	109.6	T6 F10	T6-C8 PolarHBondContact O-N 3.36Å; C8-F10 PolarHBondContact O-N 2.9Å
9	E	31.1	Very low	37	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	78%	0.776	S	S	*	*			trans	-74.3	123.2	168.9	-78.9	-169.8	160	0	0	110.6	S7 I11	S7-E9 PolarHBondContact O-N 2.7Å; E9-I11 PolarHBondContact O-N 3.45Å
10	F	35.1	Very low	37.3	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.873	76%	0.758	S	S	*	*			trans	-78.1	108.4	-177.5	-124.4	-94.9	0	0	0	109.7	C8	C8-F10 PolarHBondContact O-N 2.9Å
11	I	34	Very low	37.5	Very low	154 Å²	154	136.6 Å²	136.6	79%	0.79	74%	0.74	S	S	*	*			trans	-96.2	111.4	165.1	-59.7	178.6	0	0	0	107.7	E9	E9-I11 PolarHBondContact O-N 3.45Å
12	K	36.7	Very low	38.4	Very low	197 Å²	197	129.5 Å²	129.5	86%	0.857	71%	0.71	S	S	*	*			trans	-66.3	124.4	167.8	-78.5	177.7	173.8	177.8	0	109.2
13	S	37	Very low	39.5	Very low	78 Å²	78	126.6 Å²	126.6	55%	0.545	70%	0.697	S	S	.	*			trans	-147.3	120.3	158.4	55.2	0	0	0	0	110.2
14	D	37.5	Very low	40.1	Very low	155 Å²	155	126.4 Å²	126.4	83%	0.829	69%	0.691	S	S	*	*			trans	-61.9	152.7	177.6	-64.8	-56.4	0	0	0	113
15	S	44.9	Very low	40.1	Very low	95 Å²	95	123.2 Å²	123.2	66%	0.664	68%	0.676	S	S	*	*	S	Bend	trans	98.9	107.4	167.7	79.4	0	0	0	0	117.3	S17	S15-S17 PolarHBondContact O-N 3.01Å
16	L	48.3	Very low	40.9	Very low	168 Å²	168	119.3 Å²	119.3	88%	0.88	66%	0.663	S	S	*	*	S	Bend	trans	47.3	-21.9	158	-80.3	159.6	0	0	0	120.9	D18	L16-D18 PolarHBondContact O-N 3.45Å
17	S	48.8	Very low	40.9	Very low	76 Å²	76	114.5 Å²	114.5	53%	0.531	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-16.1	172.2	71.8	0	0	0	0	113	S15 V19 A20 A21	S15-S17 PolarHBondContact O-N 3.01Å; S17-V19 PolarHBondContact O-N 3.24Å; S17-A20 PolarHBondContact O-N 3.46Å; S17-A21 PolarHBondContact O-N 3.23Å
18	D	46.5	Very low	40.9	Very low	83 Å²	83	115.6 Å²	115.6	44%	0.444	64%	0.635	S	S	.	*	H	α-helix	trans	-61.5	-37.8	-176.7	-83.3	-33	0	0	0	114.1	L16 A20 A21 V22	L16-D18 PolarHBondContact O-N 3.45Å; D18-A20 VanDerWaalsContact C-N 3.32Å; D18-A20 PolarHBondContact O-N 3.49Å; D18-A21 PolarHBondContact O-N 3.22Å; D18-A21 VanDerWaalsContact O-N 3.16Å; D18-V22 WeakPolarHBondContact O-CB 2.98Å; D18-V22 VanDerWaalsContact O-CG2 3.26Å; D18-V22 WeakPolarHBondContact O-CG2 3.19Å; D18-V22 PolarHBondContact O-N 2.8Å
19	V	53	Low	41.1	Very low	93 Å²	93	116 Å²	116	56%	0.564	63%	0.625	S	S	*	*	H	α-helix	trans	-65.8	-37.9	-175.4	-178.3	0	0	0	0	111.5	S17 K23	S17-V19 PolarHBondContact O-N 3.24Å; V19-K23 WeakPolarHBondContact O-CG 3.25Å; V19-K23 PolarHBondContact O-N 3.29Å
20	A	43.6	Very low	41.4	Very low	52 Å²	52	110.5 Å²	110.5	43%	0.43	61%	0.609	S	S	.	*	H	α-helix	trans	-74.2	-28.8	177.8	0	0	0	0	0	112.3	S17 D18 R24	S17-A20 PolarHBondContact O-N 3.46Å; D18-A20 VanDerWaalsContact C-N 3.32Å; D18-A20 PolarHBondContact O-N 3.49Å; A20-R24 WeakPolarHBondContact O-CB 3.26Å; A20-R24 PolarHBondContact O-N 3.09Å; A20-R24 PolarHBondContact O-NE 3.02Å
21	A	41.6	Very low	41.2	Very low	46 Å²	46	106.5 Å²	106.5	38%	0.38	60%	0.596	S	S	.	*	H	α-helix	trans	-72.6	-44.7	172.9	0	0	0	0	0	111	S17 D18 R24 A25	S17-A21 PolarHBondContact O-N 3.23Å; D18-A21 PolarHBondContact O-N 3.22Å; D18-A21 VanDerWaalsContact O-N 3.16Å; A21-R24 PolarHBondContact O-N 2.97Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.19Å
22	V	52.1	Low	41.1	Very low	88 Å²	88	103 Å²	103	53%	0.533	58%	0.584	S	S	.	*	H	α-helix	trans	-60.1	-49.7	176	172.3	0	0	0	0	110.8	D18 R24 A25 T26	D18-V22 WeakPolarHBondContact O-CB 2.98Å; D18-V22 VanDerWaalsContact O-CG2 3.26Å; D18-V22 WeakPolarHBondContact O-CG2 3.19Å; D18-V22 PolarHBondContact O-N 2.8Å; V22-R24 VanDerWaalsContact C-N 3.29Å; V22-R24 PolarHBondContact O-N 2.83Å; V22-A25 WeakPolarHBondContact O-CB 3.41Å; V22-A25 PolarHBondContact O-N 2.77Å; V22-A25 VanDerWaalsContact O-N 3.08Å; V22-T26 PolarHBondContact O-N 3.07Å; V22-T26 PolarHBondContact O-OG1 3.26Å
23	K	48.5	Very low	41.4	Very low	156 Å²	156	96.7 Å²	96.7	68%	0.678	57%	0.565	S	S	*	*	H	α-helix	trans	-59.8	-38.7	177.2	-76.6	-175	177.9	-176.2	0	112.7	V19 G27	V19-K23 WeakPolarHBondContact O-CG 3.25Å; V19-K23 PolarHBondContact O-N 3.29Å; K23-G27 PolarHBondContact O-N 3.48Å
24	R	39.8	Very low	41.5	Very low	179 Å²	179	96 Å²	96	68%	0.675	56%	0.56	S	S	*	*	H	α-helix	trans	-66.7	-40.2	174.2	-87	-176.3	-79.8	169.8	-7.3	111.9	A20 A21 V22 G27 M28	A20-R24 WeakPolarHBondContact O-CB 3.26Å; A20-R24 PolarHBondContact O-N 3.09Å; A20-R24 PolarHBondContact O-NE 3.02Å; A21-R24 PolarHBondContact O-N 2.97Å; V22-R24 VanDerWaalsContact C-N 3.29Å; V22-R24 PolarHBondContact O-N 2.83Å; R24-G27 PolarHBondContact O-N 3.25Å; R24-M28 WeakPolarHBondContact O-CB 3.23Å; R24-M28 VanDerWaalsContact O-CG 3.25Å; R24-M28 WeakPolarHBondContact O-CG 3.45Å; R24-M28 PolarHBondContact O-N 3.15Å
25	A	37.7	Very low	41.7	Very low	58 Å²	58	91.7 Å²	91.7	48%	0.479	54%	0.543	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176.4	0	0	0	0	0	111.7	A21 V22 G27 M28 Q29	A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.19Å; V22-A25 WeakPolarHBondContact O-CB 3.41Å; V22-A25 PolarHBondContact O-N 2.77Å; V22-A25 VanDerWaalsContact O-N 3.08Å; A25-G27 PolarHBondContact O-N 2.97Å; A25-M28 PolarHBondContact O-N 2.82Å; A25-Q29 WeakPolarHBondContact O-CB 3.4Å; A25-Q29 PolarHBondContact O-N 3.26Å
26	T	44.2	Very low	41.7	Very low	82 Å²	82	92 Å²	92	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-42	176.4	-42.1	0	0	0	0	111.6	V22 Q29 A30	V22-T26 PolarHBondContact O-N 3.07Å; V22-T26 PolarHBondContact O-OG1 3.26Å; T26-Q29 PolarHBondContact O-N 3.05Å; T26-A30 PolarHBondContact O-N 2.85Å
27	G	32.9	Very low	41.3	Very low	35 Å²	35	89.7 Å²	89.7	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.2	0	0	0	0	0	112.7	K23 R24 A25 A30 L31	K23-G27 PolarHBondContact O-N 3.48Å; R24-G27 PolarHBondContact O-N 3.25Å; A25-G27 PolarHBondContact O-N 2.97Å; G27-A30 PolarHBondContact O-N 2.88Å; G27-L31 WeakPolarHBondContact O-CG 3.43Å; G27-L31 PolarHBondContact O-N 3.23Å
28	M	32.2	Very low	41.1	Very low	129 Å²	129	92.2 Å²	92.2	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-65.3	-39.3	174.7	-75.8	-111.4	-66.4	0	0	112.2	R24 A25 L31 C32	R24-M28 WeakPolarHBondContact O-CB 3.23Å; R24-M28 VanDerWaalsContact O-CG 3.25Å; R24-M28 WeakPolarHBondContact O-CG 3.45Å; R24-M28 PolarHBondContact O-N 3.15Å; A25-M28 PolarHBondContact O-N 2.82Å; M28-L31 PolarHBondContact O-N 3.29Å; M28-C32 PolarHBondContact O-N 2.91Å; M28-C32 PolarHBondContact O-SG 3.4Å; M28-C32 VanDerWaalsContact O-SG 3.41Å
29	Q	38.4	Very low	40.9	Very low	137 Å²	137	92.8 Å²	92.8	64%	0.64	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-42.9	176.1	-166.1	173.7	6.9	0	0	111.1	A25 T26 L31 C32 S33	A25-Q29 WeakPolarHBondContact O-CB 3.4Å; A25-Q29 PolarHBondContact O-N 3.26Å; T26-Q29 PolarHBondContact O-N 3.05Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 2.94Å; Q29-C32 WeakPolarHBondContact O-CB 3.34Å; Q29-C32 PolarHBondContact O-N 2.65Å; Q29-S33 PolarHBondContact O-N 2.68Å; Q29-S33 PolarHBondContact O-OG 3.41Å
30	A	37.3	Very low	40.3	Very low	60 Å²	60	96.1 Å²	96.1	50%	0.496	54%	0.537	S	S	.	.	H	α-helix	trans	-62.5	-36.3	173.7	0	0	0	0	0	112.5	T26 G27 S33 S34	T26-A30 PolarHBondContact O-N 2.85Å; G27-A30 PolarHBondContact O-N 2.88Å; A30-S33 WeakPolarHBondContact O-CB 3.15Å; A30-S33 PolarHBondContact O-N 3.38Å; A30-S34 PolarHBondContact O-N 3.44Å
31	L	30.9	Very low	40.1	Very low	115 Å²	115	97.2 Å²	97.2	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-67.6	-41.1	173.3	-72.7	170.1	0	0	0	111.8	G27 M28 Q29 S33 S34 S35	G27-L31 WeakPolarHBondContact O-CG 3.43Å; G27-L31 PolarHBondContact O-N 3.23Å; M28-L31 PolarHBondContact O-N 3.29Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 2.94Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.06Å; L31-S34 WeakPolarHBondContact O-CB 3.46Å; L31-S34 PolarHBondContact O-N 3.18Å; L31-S34 VanDerWaalsContact O-N 3.16Å; L31-S34 PolarHBondContact O-OG 2.97Å; L31-S35 PolarHBondContact O-N 2.78Å
32	C	30.6	Very low	40.2	Very low	80 Å²	80	101.7 Å²	101.7	54%	0.541	55%	0.55	S	S	.	.	H	α-helix	trans	-60	-43.9	171.8	-71.2	0	0	0	0	111.1	M28 Q29 S34 S35 E36	M28-C32 PolarHBondContact O-N 2.91Å; M28-C32 PolarHBondContact O-SG 3.4Å; M28-C32 VanDerWaalsContact O-SG 3.41Å; Q29-C32 WeakPolarHBondContact O-CB 3.34Å; Q29-C32 PolarHBondContact O-N 2.65Å; C32-S34 VanDerWaalsContact C-N 3.3Å; C32-S34 PolarHBondContact O-N 2.7Å; C32-S35 PolarHBondContact O-N 2.83Å; C32-S35 VanDerWaalsContact O-N 3.15Å; C32-S35 PolarHBondContact O-OG 2.86Å; C32-E36 PolarHBondContact O-N 3.23Å
33	S	43.7	Very low	39.8	Very low	66 Å²	66	100.2 Å²	100.2	46%	0.462	55%	0.547	S	S	.	.	H	α-helix	trans	-60.3	-38.3	173.6	-49.2	0	0	0	0	112.1	Q29 A30 L31 S35 E36 L37	Q29-S33 PolarHBondContact O-N 2.68Å; Q29-S33 PolarHBondContact O-OG 3.41Å; A30-S33 WeakPolarHBondContact O-CB 3.15Å; A30-S33 PolarHBondContact O-N 3.38Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.06Å; S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.39Å; S33-E36 PolarHBondContact O-N 3.49Å; S33-L37 WeakPolarHBondContact O-CB 3.01Å; S33-L37 PolarHBondContact O-N 2.84Å
34	S	40.2	Very low	39.3	Very low	62 Å²	62	98.7 Å²	98.7	43%	0.434	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-36.6	176.4	82	0	0	0	0	112.3	A30 L31 C32 L37 L38	A30-S34 PolarHBondContact O-N 3.44Å; L31-S34 WeakPolarHBondContact O-CB 3.46Å; L31-S34 PolarHBondContact O-N 3.18Å; L31-S34 VanDerWaalsContact O-N 3.16Å; L31-S34 PolarHBondContact O-OG 2.97Å; C32-S34 VanDerWaalsContact C-N 3.3Å; C32-S34 PolarHBondContact O-N 2.7Å; S34-L37 PolarHBondContact O-N 2.81Å; S34-L38 VanDerWaalsContact O-CB 3.25Å; S34-L38 WeakPolarHBondContact O-CB 3.38Å; S34-L38 PolarHBondContact O-N 2.83Å
35	S	41	Very low	39.2	Very low	66 Å²	66	95.7 Å²	95.7	46%	0.462	54%	0.535	S	S	.	.	H	α-helix	trans	-70.2	-34.6	176.1	72.2	0	0	0	0	112.1	L31 C32 S33 T39	L31-S35 PolarHBondContact O-N 2.78Å; C32-S35 PolarHBondContact O-N 2.83Å; C32-S35 VanDerWaalsContact O-N 3.15Å; C32-S35 PolarHBondContact O-OG 2.86Å; S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.39Å; S35-T39 WeakPolarHBondContact O-CB 3.03Å; S35-T39 PolarHBondContact O-N 3.27Å; S35-T39 PolarHBondContact O-OG1 3.17Å
36	E	44.1	Very low	39.5	Very low	102 Å²	102	96 Å²	96	48%	0.477	53%	0.529	S	S	.	.	H	α-helix	trans	-71.2	-42.6	174.7	-159.9	-177.1	161.6	0	0	111.1	C32 S33 T39 R40	C32-E36 PolarHBondContact O-N 3.23Å; S33-E36 PolarHBondContact O-N 3.49Å; E36-T39 PolarHBondContact O-N 2.99Å; E36-R40 WeakPolarHBondContact O-CG 3.38Å; E36-R40 PolarHBondContact O-N 2.85Å; E36-R40 IonicContact OE1-CZ 3.6Å; E36-R40 IonicContact OE1-NE 3.69Å; E36-R40 IonicContact OE1-NH2 3.61Å; E36-R40 PolarHBondContact OE1-NH2 2.73Å
37	L	40.4	Very low	39.5	Very low	118 Å²	118	98.4 Å²	98.4	62%	0.618	54%	0.535	S	S	*	.	H	α-helix	trans	-59.8	-48.5	173.1	-165.9	83.1	0	0	0	110.7	S33 S34 T39 R40 T41	S33-L37 WeakPolarHBondContact O-CB 3.01Å; S33-L37 PolarHBondContact O-N 2.84Å; S34-L37 PolarHBondContact O-N 2.81Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 2.92Å; L37-R40 PolarHBondContact O-N 2.78Å; L37-T41 WeakPolarHBondContact O-CB 2.98Å; L37-T41 PolarHBondContact O-N 3.38Å; L37-T41 PolarHBondContact O-OG1 2.81Å
38	L	43.6	Very low	39.8	Very low	130 Å²	130	100.1 Å²	100.1	68%	0.681	54%	0.535	S	S	*	.	H	α-helix	trans	-60.7	-38.3	177.6	-166.2	78.1	0	0	0	111.5	S34 K42	S34-L38 VanDerWaalsContact O-CB 3.25Å; S34-L38 WeakPolarHBondContact O-CB 3.38Å; S34-L38 PolarHBondContact O-N 2.83Å; L38-K42 VanDerWaalsContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CB 3.43Å; L38-K42 PolarHBondContact O-N 2.8Å
39	T	43.9	Very low	40.2	Very low	95 Å²	95	101 Å²	101	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-67.1	-42.6	176.8	-58.5	0	0	0	0	111.3	S35 E36 L37 K42 A43	S35-T39 WeakPolarHBondContact O-CB 3.03Å; S35-T39 PolarHBondContact O-N 3.27Å; S35-T39 PolarHBondContact O-OG1 3.17Å; E36-T39 PolarHBondContact O-N 2.99Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 2.92Å; T39-K42 PolarHBondContact O-N 3.16Å; T39-A43 WeakPolarHBondContact O-CB 3.23Å; T39-A43 PolarHBondContact O-N 3.4Å
40	R	40.4	Very low	40.6	Very low	162 Å²	162	102.9 Å²	102.9	61%	0.611	54%	0.543	S	S	*	.	H	α-helix	trans	-64.9	-44.9	175.1	-72.2	-179.6	-170.6	-168.9	5	111.8	E36 L37 K42 A43 F44	E36-R40 WeakPolarHBondContact O-CG 3.38Å; E36-R40 PolarHBondContact O-N 2.85Å; E36-R40 IonicContact OE1-CZ 3.6Å; E36-R40 IonicContact OE1-NE 3.69Å; E36-R40 IonicContact OE1-NH2 3.61Å; E36-R40 PolarHBondContact OE1-NH2 2.73Å; L37-R40 PolarHBondContact O-N 2.78Å; R40-K42 VanDerWaalsContact C-N 3.3Å; R40-K42 PolarHBondContact O-N 3.33Å; R40-A43 PolarHBondContact O-N 3.01Å; R40-F44 WeakPolarHBondContact O-CB 3.3Å; R40-F44 PolarHBondContact O-N 3.38Å
41	T	38.7	Very low	40.8	Very low	76 Å²	76	103.7 Å²	103.7	47%	0.466	55%	0.545	S	S	.	.	H	α-helix	trans	-61.4	-41.3	176	-54.6	0	0	0	0	111	L37 F44 M45	L37-T41 WeakPolarHBondContact O-CB 2.98Å; L37-T41 PolarHBondContact O-N 3.38Å; L37-T41 PolarHBondContact O-OG1 2.81Å; T41-F44 PolarHBondContact O-N 2.8Å; T41-M45 VanDerWaalsContact O-CG 3.27Å; T41-M45 WeakPolarHBondContact O-CG 3.38Å; T41-M45 PolarHBondContact O-N 2.78Å
42	K	43.2	Very low	40.9	Very low	140 Å²	140	103.2 Å²	103.2	61%	0.609	54%	0.543	S	S	*	.	H	α-helix	trans	-66.2	-42.7	176.3	-168.3	175.9	-179.9	-178.2	0	112.1	L38 T39 R40 F44 M45 D46	L38-K42 VanDerWaalsContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CB 3.43Å; L38-K42 PolarHBondContact O-N 2.8Å; T39-K42 PolarHBondContact O-N 3.16Å; R40-K42 VanDerWaalsContact C-N 3.3Å; R40-K42 PolarHBondContact O-N 3.33Å; K42-F44 VanDerWaalsContact C-N 3.31Å; K42-F44 PolarHBondContact O-N 2.91Å; K42-M45 PolarHBondContact O-N 3.33Å; K42-D46 WeakPolarHBondContact O-CB 3.26Å; K42-D46 PolarHBondContact O-N 3.42Å
43	A	44.9	Very low	41	Very low	57 Å²	57	111.9 Å²	111.9	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-60.5	-40.9	175.6	0	0	0	0	0	112.1	T39 R40 D46 E47	T39-A43 WeakPolarHBondContact O-CB 3.23Å; T39-A43 PolarHBondContact O-N 3.4Å; R40-A43 PolarHBondContact O-N 3.01Å; A43-D46 PolarHBondContact O-N 2.86Å; A43-E47 WeakPolarHBondContact O-CB 3.46Å; A43-E47 PolarHBondContact O-N 2.85Å
44	F	37.2	Very low	40.5	Very low	124 Å²	124	113.1 Å²	113.1	54%	0.544	57%	0.573	S	S	.	*	H	α-helix	trans	-64.3	-43.5	175.3	-179	-107.4	0	0	0	112.3	R40 T41 K42 E47 I48	R40-F44 WeakPolarHBondContact O-CB 3.3Å; R40-F44 PolarHBondContact O-N 3.38Å; T41-F44 PolarHBondContact O-N 2.8Å; K42-F44 VanDerWaalsContact C-N 3.31Å; K42-F44 PolarHBondContact O-N 2.91Å; F44-E47 PolarHBondContact O-N 2.86Å; F44-I48 HydrophobicContact CD1-CD1 3.78Å; F44-I48 HydrophobicContact CE1-CD1 3.33Å; F44-I48 HydrophobicContact CE1-CG1 4.38Å; F44-I48 HydrophobicContact CE2-CD1 4.31Å; F44-I48 HydrophobicContact CG-CD1 4.45Å; F44-I48 HydrophobicContact CZ-CD1 3.64Å; F44-I48 HydrophobicContact CZ-CG1 4.38Å; F44-I48 WeakPolarHBondContact O-CG1 3.39Å; F44-I48 PolarHBondContact O-N 3.04Å
45	M	37.8	Very low	40.2	Very low	116 Å²	116	117.5 Å²	117.5	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-63.9	-42.7	175.4	-68.4	-69.7	-75.3	0	0	111.9	T41 K42 E47 I48 E49	T41-M45 VanDerWaalsContact O-CG 3.27Å; T41-M45 WeakPolarHBondContact O-CG 3.38Å; T41-M45 PolarHBondContact O-N 2.78Å; K42-M45 PolarHBondContact O-N 3.33Å; M45-E47 VanDerWaalsContact C-N 3.26Å; M45-E47 PolarHBondContact O-N 2.93Å; M45-I48 PolarHBondContact O-N 2.92Å; M45-E49 WeakPolarHBondContact O-CB 3.42Å; M45-E49 PolarHBondContact O-N 3.08Å
46	D	43.6	Very low	39.7	Very low	65 Å²	65	119.2 Å²	119.2	35%	0.348	61%	0.61	S	S	.	*	H	α-helix	trans	-64.6	-31	176.1	-71	-6.7	0	0	0	111.6	K42 A43 K50	K42-D46 WeakPolarHBondContact O-CB 3.26Å; K42-D46 PolarHBondContact O-N 3.42Å; A43-D46 PolarHBondContact O-N 2.86Å; D46-K50 WeakPolarHBondContact O-CB 3.26Å; D46-K50 VanDerWaalsContact O-CG 3.24Å; D46-K50 WeakPolarHBondContact O-CG 3.25Å; D46-K50 PolarHBondContact O-N 3.29Å
47	E	45.3	Very low	39	Very low	132 Å²	132	122.7 Å²	122.7	62%	0.617	63%	0.626	S	S	*	*	H	α-helix	trans	-72.5	-43.9	176.1	-167.9	173.6	-165.3	0	0	111.6	A43 F44 M45 E49 K50 S51	A43-E47 WeakPolarHBondContact O-CB 3.46Å; A43-E47 PolarHBondContact O-N 2.85Å; F44-E47 PolarHBondContact O-N 2.86Å; M45-E47 VanDerWaalsContact C-N 3.26Å; M45-E47 PolarHBondContact O-N 2.93Å; E47-E49 VanDerWaalsContact C-N 3.3Å; E47-E49 PolarHBondContact O-N 3.31Å; E47-K50 PolarHBondContact O-N 3.23Å; E47-S51 WeakPolarHBondContact O-CB 3.22Å; E47-S51 PolarHBondContact O-N 3.24Å; E47-S51 PolarHBondContact O-OG 2.83Å
48	I	37.2	Very low	38.4	Very low	70 Å²	70	123.3 Å²	123.3	36%	0.359	64%	0.637	S	S	.	*	H	α-helix	trans	-58.8	-44.6	171.8	-68.7	170.7	0	0	0	110.2	F44 M45 K50 S51	F44-I48 HydrophobicContact CD1-CD1 3.78Å; F44-I48 HydrophobicContact CE1-CD1 3.33Å; F44-I48 HydrophobicContact CE1-CG1 4.38Å; F44-I48 HydrophobicContact CE2-CD1 4.31Å; F44-I48 HydrophobicContact CG-CD1 4.45Å; F44-I48 HydrophobicContact CZ-CD1 3.64Å; F44-I48 HydrophobicContact CZ-CG1 4.38Å; F44-I48 WeakPolarHBondContact O-CG1 3.39Å; F44-I48 PolarHBondContact O-N 3.04Å; M45-I48 PolarHBondContact O-N 2.92Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 2.84Å; I48-S51 WeakPolarHBondContact CA-OG 3.48Å; I48-S51 PolarHBondContact O-N 3.27Å; I48-S51 PolarHBondContact O-OG 3.2Å
49	E	40.8	Very low	37.5	Very low	149 Å²	149	124.2 Å²	124.2	70%	0.696	64%	0.641	S	S	*	*	H	α-helix	trans	-67.3	-34.4	-178.7	-157.5	172.3	-151.5	0	0	112.1	M45 E47	M45-E49 WeakPolarHBondContact O-CB 3.42Å; M45-E49 PolarHBondContact O-N 3.08Å; E47-E49 VanDerWaalsContact C-N 3.3Å; E47-E49 PolarHBondContact O-N 3.31Å
50	K	47.8	Very low	36.6	Very low	176 Å²	176	128 Å²	128	77%	0.765	65%	0.652	S	S	*	*	H	α-helix	trans	-73	-29.8	173.1	-76.4	170.8	-173.5	169.1	0	113.8	D46 E47 I48 N52	D46-K50 WeakPolarHBondContact O-CB 3.26Å; D46-K50 VanDerWaalsContact O-CG 3.24Å; D46-K50 WeakPolarHBondContact O-CG 3.25Å; D46-K50 PolarHBondContact O-N 3.29Å; E47-K50 PolarHBondContact O-N 3.23Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 2.84Å; K50-N52 PolarHBondContact O-N 3.01Å
51	S	41.2	Very low	35.8	Very low	76 Å²	76	125.9 Å²	125.9	53%	0.531	66%	0.66	S	S	.	*	H	α-helix	trans	-75.3	-13	-176	63.5	0	0	0	0	114	E47 I48	E47-S51 WeakPolarHBondContact O-CB 3.22Å; E47-S51 PolarHBondContact O-N 3.24Å; E47-S51 PolarHBondContact O-OG 2.83Å; I48-S51 WeakPolarHBondContact CA-OG 3.48Å; I48-S51 PolarHBondContact O-N 3.27Å; I48-S51 PolarHBondContact O-OG 3.2Å
52	N	34	Very low	35.1	Very low	106 Å²	106	127.2 Å²	127.2	57%	0.567	67%	0.672	S	S	*	*			trans	-111.7	98.3	179.2	-70.8	-35.7	0	0	0	109.5	K50	K50-N52 PolarHBondContact O-N 3.01Å
53	W	32.5	Very low	34.1	Very low	261 Å²	261	127.8 Å²	127.8	99%	0.989	68%	0.68	S	S	*	*			trans	-172.9	35.4	149.1	-97.3	24.6	0	0	0	112.7
54	S	32.6	Very low	33.1	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	69%	0.691	S	S	*	*	S	Bend	trans	-124.2	94.7	167.2	49.3	0	0	0	0	110.1	S56	S54-S56 PolarHBondContact O-N 3.22Å; S54-S56 PolarHBondContact O-OG 3.01Å
55	T	33.6	Very low	32.5	Very low	155 Å²	155	134.5 Å²	134.5	95%	0.951	70%	0.701	S	S	*	*			trans	-6.8	95.8	154.3	32	0	0	0	0	114.1
56	S	31.3	Very low	32	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	70%	0.703	S	S	*	*			trans	-142.9	134.7	157.6	30.1	0	0	0	0	106.8	S54	S54-S56 PolarHBondContact O-N 3.22Å; S54-S56 PolarHBondContact O-OG 3.01Å
57	E	28.2	Very low	31.2	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	71%	0.713	S	S	*	*			trans	-50.8	153.3	-171.9	-74.1	173.7	157.6	0	0	112.9	I59	E57-I59 PolarHBondContact O-N 3.2Å
58	P	28.7	Very low	30.5	Very low	131 Å²	131	135.4 Å²	135.4	85%	0.851	72%	0.72	S	S	*	*			trans	-57	108.9	-171.3	23.5	-34	0	0	0	110.6	E60	P58-E60 PolarHBondContact O-N 3.04Å
59	I	24.7	Very low	30.3	Very low	149 Å²	149	140.9 Å²	140.9	76%	0.764	75%	0.745	S	S	*	*			trans	-72.9	107.9	170.3	-60.8	172.7	0	0	0	106.1	E57	E57-I59 PolarHBondContact O-N 3.2Å
60	E	24.7	Very low	29.8	Very low	175 Å²	175	137.2 Å²	137.2	82%	0.818	73%	0.73	S	S	*	*			trans	-53.3	123	168.8	-161	171.6	-159	0	0	108.4	P58 S62	P58-E60 PolarHBondContact O-N 3.04Å; E60-S62 PolarHBondContact O-N 3.49Å
61	P	24	Very low	29	Very low	118 Å²	118	133.9 Å²	133.9	77%	0.766	72%	0.719	S	S	*	*			trans	-69.3	104.3	-173.8	25.4	-31	0	0	0	109.5	I63	P61-I63 PolarHBondContact O-N 2.68Å
62	S	22.6	Very low	28.5	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	72%	0.719	S	S	*	*			trans	-67.4	113.8	172.2	56.5	0	0	0	0	109.4	E60 Y64	E60-S62 PolarHBondContact O-N 3.49Å; S62-Y64 PolarHBondContact O-N 2.89Å; S62-Y64 VanDerWaalsContact O-N 3.15Å
63	I	23.2	Very low	28.2	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	71%	0.713	S	S	*	*			trans	-61	112.7	171.5	-62.1	169.3	0	0	0	107.8	P61 L65	P61-I63 PolarHBondContact O-N 2.68Å; I63-L65 PolarHBondContact O-N 2.99Å
64	Y	24	Very low	27.9	Very low	182 Å²	182	125.7 Å²	125.7	71%	0.714	69%	0.694	S	S	*	*			trans	-75.2	104.8	176.2	-147.6	-96.5	0	0	0	108.2	S62	S62-Y64 PolarHBondContact O-N 2.89Å; S62-Y64 VanDerWaalsContact O-N 3.15Å
65	L	24.7	Very low	27.7	Very low	141 Å²	141	129.1 Å²	129.1	74%	0.738	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-85.8	116.3	169.9	-73.6	164.6	0	0	0	107	I63 T67	I63-L65 PolarHBondContact O-N 2.99Å; L65-T67 PolarHBondContact O-N 3.49Å
66	P	27	Very low	27.6	Very low	97 Å²	97	125.2 Å²	125.2	63%	0.63	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.2	128.3	-174.5	22.1	-30.4	0	0	0	110.1	D70	P66-D70 WeakPolarHBondContact CA-OD2 3.43Å; P66-D70 HydrophobicContact CB-CB 3.7Å
67	T	26.3	Very low	27.5	Very low	89 Å²	89	123.8 Å²	123.8	55%	0.546	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-83.1	164.1	170.1	49.6	0	0	0	0	109.7	L65 E69 D70	L65-T67 PolarHBondContact O-N 3.49Å; T67-E69 PolarHBondContact O-N 3.2Å; T67-D70 PolarHBondContact N-OD2 3.41Å; T67-D70 WeakPolarHBondContact O-CB 3.46Å; T67-D70 PolarHBondContact O-N 3.36Å; T67-D70 PolarHBondContact OG1-OD2 2.91Å
68	D	32.2	Very low	27.4	Very low	145 Å²	145	120.6 Å²	120.6	78%	0.775	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-54.3	-20.1	-176.4	-68.6	-41.2	0	0	0	114.1	D70 I71	D68-D70 VanDerWaalsContact C-N 3.33Å; D68-I71 HydrophobicContact CB-CD1 4.42Å
69	E	33	Very low	27.4	Very low	186 Å²	186	116.3 Å²	116.3	87%	0.869	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-74.8	-17	173.8	-60.7	-167.3	172.2	0	0	114	T67 I71	T67-E69 PolarHBondContact O-N 3.2Å; E69-I71 VanDerWaalsContact C-N 3.35Å
70	D	30.3	Very low	27.6	Very low	72 Å²	72	117.7 Å²	117.7	39%	0.385	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-89.5	-0.7	177.1	-60	-55.5	0	0	0	112.7	P66 T67 D68 V72	P66-D70 WeakPolarHBondContact CA-OD2 3.43Å; P66-D70 HydrophobicContact CB-CB 3.7Å; T67-D70 PolarHBondContact N-OD2 3.41Å; T67-D70 WeakPolarHBondContact O-CB 3.46Å; T67-D70 PolarHBondContact O-N 3.36Å; T67-D70 PolarHBondContact OG1-OD2 2.91Å; D68-D70 VanDerWaalsContact C-N 3.33Å; D70-V72 PolarHBondContact O-N 2.92Å; D70-V72 VanDerWaalsContact O-N 3.09Å
71	I	30.7	Very low	27.7	Very low	106 Å²	106	116.6 Å²	116.6	54%	0.544	62%	0.624	S	S	.	*	S	Bend	trans	-72.4	105.8	174.7	-59.3	174.8	0	0	0	107.5	D68 E69 T73	D68-I71 HydrophobicContact CB-CD1 4.42Å; E69-I71 VanDerWaalsContact C-N 3.35Å; I71-T73 WeakPolarHBondContact O-CG2 3.34Å; I71-T73 PolarHBondContact O-N 3.03Å
72	V	30.1	Very low	27.8	Very low	87 Å²	87	116.9 Å²	116.9	53%	0.527	63%	0.626	S	S	.	*			trans	-40.7	109.4	172.7	-179.4	0	0	0	0	109.4	D70 D76 L77	D70-V72 PolarHBondContact O-N 2.92Å; D70-V72 VanDerWaalsContact O-N 3.09Å; V72-D76 HydrophobicContact CG1-CB 3.73Å; V72-L77 HydrophobicContact CG1-CG 4.34Å
73	T	27.6	Very low	27.9	Very low	72 Å²	72	116.2 Å²	116.2	44%	0.442	61%	0.613	S	S	.	*			trans	-79.3	159.3	-177.9	62.7	0	0	0	0	109.4	I71 E75 D76	I71-T73 WeakPolarHBondContact O-CG2 3.34Å; I71-T73 PolarHBondContact O-N 3.03Å; T73-E75 PolarHBondContact O-N 2.89Å; T73-D76 PolarHBondContact N-OD2 3.12Å; T73-D76 WeakPolarHBondContact O-CB 3Å; T73-D76 PolarHBondContact O-N 3.23Å; T73-D76 PolarHBondContact OG1-OD2 3.1Å
74	L	26.1	Very low	28	Very low	111 Å²	111	114.5 Å²	114.5	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-53.9	-28.4	178.2	-155	84.9	0	0	0	112.3	D76 L77 V78 V134	L74-D76 VanDerWaalsContact C-N 3.35Å; L74-L77 PolarHBondContact O-N 2.92Å; L74-V78 WeakPolarHBondContact O-CG2 3.37Å; L74-V134 HydrophobicContact CD1-CG1 4.03Å; L74-V134 HydrophobicContact CD1-CG2 4.09Å
75	E	29.5	Very low	28	Very low	165 Å²	165	113.9 Å²	113.9	77%	0.771	62%	0.617	S	S	*	*	H	α-helix	trans	-69.1	-30.8	177.8	-66.3	175.3	167.1	0	0	112.5	T73 V78 S79	T73-E75 PolarHBondContact O-N 2.89Å; E75-V78 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-N 3.26Å
76	D	30.8	Very low	27.9	Very low	72 Å²	72	114.5 Å²	114.5	39%	0.385	62%	0.619	S	S	.	*	H	α-helix	trans	-71.2	-34.7	177	-64	-53.9	0	0	0	112	V72 T73 L74 V78 S79	V72-D76 HydrophobicContact CG1-CB 3.73Å; T73-D76 PolarHBondContact N-OD2 3.12Å; T73-D76 WeakPolarHBondContact O-CB 3Å; T73-D76 PolarHBondContact O-N 3.23Å; T73-D76 PolarHBondContact OG1-OD2 3.1Å; L74-D76 VanDerWaalsContact C-N 3.35Å; D76-V78 VanDerWaalsContact C-N 3.28Å; D76-V78 PolarHBondContact O-N 3.39Å; D76-S79 PolarHBondContact O-N 3.47Å; D76-S79 PolarHBondContact O-OG 3.48Å
77	L	28.3	Very low	27.8	Very low	72 Å²	72	117.4 Å²	117.4	38%	0.377	63%	0.629	S	S	.	*	H	α-helix	trans	-67.4	-24.8	177.9	-77.1	162.8	0	0	0	113.4	V72 L74 I83	V72-L77 HydrophobicContact CG1-CG 4.34Å; L74-L77 PolarHBondContact O-N 2.92Å; L77-I83 HydrophobicContact CD2-CD1 3.73Å; L77-I83 HydrophobicContact CD2-CG1 4.48Å
78	V	27.6	Very low	27.7	Very low	108 Å²	108	121.1 Å²	121.1	66%	0.655	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-10	178.1	-170.7	0	0	0	0	111.5	L74 E75 D76	L74-V78 WeakPolarHBondContact O-CG2 3.37Å; E75-V78 PolarHBondContact O-N 3.33Å; D76-V78 VanDerWaalsContact C-N 3.28Å; D76-V78 PolarHBondContact O-N 3.39Å
79	S	28.1	Very low	27.3	Very low	40 Å²	40	117.1 Å²	117.1	28%	0.28	64%	0.637	S	S	.	*	S	Bend	trans	-77.8	142.1	177.4	83.9	0	0	0	0	111.1	E75 D76 K81	E75-S79 PolarHBondContact O-N 3.26Å; D76-S79 PolarHBondContact O-N 3.47Å; D76-S79 PolarHBondContact O-OG 3.48Å; S79-K81 PolarHBondContact O-N 2.95Å
80	D	29.7	Very low	26.9	Very low	178 Å²	178	115.3 Å²	115.3	95%	0.952	63%	0.631	S	S	*	*	S	Bend	trans	-63.2	14.8	175.7	-72.9	-42.3	0	0	0	114.1
81	K	26.8	Very low	26.4	Very low	152 Å²	152	117.7 Å²	117.7	66%	0.661	65%	0.649	S	S	*	*	S	Bend	trans	-84.7	134.2	178.1	-63.8	177.9	-175.8	171.1	0	109.3	S79 I83	S79-K81 PolarHBondContact O-N 2.95Å; K81-I83 PolarHBondContact O-N 2.96Å; K81-I83 VanDerWaalsContact O-N 3.12Å
82	P	25.3	Very low	26.1	Very low	124 Å²	124	117.1 Å²	117.1	81%	0.805	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-61.9	117.3	177.5	23.8	-31.5	0	0	0	110.5	V84	P82-V84 PolarHBondContact O-N 3.2Å
83	I	24.3	Very low	25.9	Very low	90 Å²	90	119.6 Å²	119.6	46%	0.462	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-76.7	117	177.3	-61.3	146.8	0	0	0	108.5	L77 K81 L85	L77-I83 HydrophobicContact CD2-CD1 3.73Å; L77-I83 HydrophobicContact CD2-CG1 4.48Å; K81-I83 PolarHBondContact O-N 2.96Å; K81-I83 VanDerWaalsContact O-N 3.12Å; I83-L85 PolarHBondContact O-N 3.11Å
84	V	25.1	Very low	25.7	Very low	115 Å²	115	120.6 Å²	120.6	70%	0.697	67%	0.673	S	S	*	*			trans	-85.2	108.1	169.6	-176.2	0	0	0	0	107.2	P82 M86	P82-V84 PolarHBondContact O-N 3.2Å; V84-M86 HydrophobicContact CB-CG 4.49Å; V84-M86 HydrophobicContact CG1-CG 3.83Å; V84-M86 PolarHBondContact O-N 3.43Å
85	L	24.6	Very low	25.8	Very low	169 Å²	169	120.2 Å²	120.2	89%	0.885	68%	0.68	S	S	*	*			trans	-68	95.9	172	-69.6	166.9	0	0	0	108.3	I83	I83-L85 PolarHBondContact O-N 3.11Å
86	M	22.5	Very low	25.7	Very low	155 Å²	155	117.4 Å²	117.4	76%	0.764	68%	0.678	S	S	*	*			trans	-90.5	149.4	176.1	-71	-172.5	68.9	0	0	111.9	V84	V84-M86 HydrophobicContact CB-CG 4.49Å; V84-M86 HydrophobicContact CG1-CG 3.83Å; V84-M86 PolarHBondContact O-N 3.43Å
87	D	25.9	Very low	25.7	Very low	158 Å²	158	122.5 Å²	122.5	85%	0.845	70%	0.7	S	S	*	*			trans	-18.6	120.4	178.3	-87.1	-41.3	0	0	0	116.9
88	I	24.1	Very low	26	Very low	166 Å²	166	123.8 Å²	123.8	85%	0.851	72%	0.715	S	S	*	*			trans	-95.9	93.5	154.7	-56.5	176.9	0	0	0	106.5
89	G	22.8	Very low	26.4	Very low	62 Å²	62	126.1 Å²	126.1	64%	0.639	72%	0.724	S	S	*	*			trans	-58.8	133.6	178.2	0	0	0	0	0	112.4	V91	G89-V91 PolarHBondContact O-N 3.46Å
90	I	23.8	Very low	26.8	Very low	147 Å²	147	129 Å²	129	75%	0.754	75%	0.75	S	S	*	*			trans	-79.8	113.6	176.2	-59.6	169	0	0	0	108.1	S92	I90-S92 VanDerWaalsContact C-N 3.35Å; I90-S92 PolarHBondContact O-N 3.38Å
91	V	21.5	Very low	27.3	Very low	123 Å²	123	126 Å²	126	75%	0.745	74%	0.743	S	S	*	*			trans	-74.2	95	162.1	-176.3	0	0	0	0	106.9	G89 L93	G89-V91 PolarHBondContact O-N 3.46Å; V91-L93 HydrophobicContact CG1-CD2 4.15Å; V91-L93 PolarHBondContact O-N 3.24Å; V91-L93 VanDerWaalsContact O-N 3.09Å
92	S	24.3	Very low	27.7	Very low	93 Å²	93	123.2 Å²	123.2	65%	0.65	74%	0.743	S	S	*	*			trans	-70.1	101.4	172.1	-166.9	0	0	0	0	107.9	I90 S94	I90-S92 VanDerWaalsContact C-N 3.35Å; I90-S92 PolarHBondContact O-N 3.38Å; S92-S94 PolarHBondContact O-N 3.46Å
93	L	24.4	Very low	28.1	Very low	140 Å²	140	124.7 Å²	124.7	73%	0.733	74%	0.744	S	S	*	*			trans	-75.3	82.2	168.2	-64.9	174.9	0	0	0	107.4	V91 S95	V91-L93 HydrophobicContact CG1-CD2 4.15Å; V91-L93 PolarHBondContact O-N 3.24Å; V91-L93 VanDerWaalsContact O-N 3.09Å; L93-S95 PolarHBondContact O-N 2.8Å
94	S	25	Very low	28.8	Very low	93 Å²	93	125.9 Å²	125.9	65%	0.65	76%	0.76	S	S	*	*			trans	-62.4	102.4	166.6	-48.8	0	0	0	0	106.9	S92 S96	S92-S94 PolarHBondContact O-N 3.46Å; S94-S96 PolarHBondContact O-N 3.37Å
95	S	26.5	Very low	29.5	Very low	103 Å²	103	127.6 Å²	127.6	72%	0.72	77%	0.765	S	S	*	*			trans	-55.8	107.8	164.6	39.2	0	0	0	0	107	L93 E97	L93-S95 PolarHBondContact O-N 2.8Å; S95-E97 VanDerWaalsContact C-N 3.33Å; S95-E97 PolarHBondContact O-N 3.05Å
96	S	28.1	Very low	30.3	Very low	105 Å²	105	127.2 Å²	127.2	73%	0.734	76%	0.764	S	S	*	*			trans	-61.2	98	175.5	-50.3	0	0	0	0	107.7	S94 S98	S94-S96 PolarHBondContact O-N 3.37Å; S96-S98 PolarHBondContact O-N 2.78Å
97	E	30	Very low	31	Very low	179 Å²	179	127.4 Å²	127.4	84%	0.836	77%	0.768	S	S	*	*			trans	-68.5	82.6	161.9	-66.4	-177.6	137.1	0	0	106	S95 D99	S95-E97 VanDerWaalsContact C-N 3.33Å; S95-E97 PolarHBondContact O-N 3.05Å; E97-D99 PolarHBondContact O-N 3.01Å; E97-D99 VanDerWaalsContact O-N 3.1Å
98	S	35.8	Very low	31.4	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	77%	0.769	S	S	*	*			trans	-67.4	105.3	169.5	-55.1	0	0	0	0	106.7	S96 A100	S96-S98 PolarHBondContact O-N 2.78Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.27Å
99	D	35	Very low	31.7	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	77%	0.766	S	S	*	*			trans	-53.7	98	169.5	-76.8	-43.7	0	0	0	109.2	E97 S101	E97-D99 PolarHBondContact O-N 3.01Å; E97-D99 VanDerWaalsContact O-N 3.1Å; D99-S101 VanDerWaalsContact C-N 3.31Å; D99-S101 PolarHBondContact O-N 2.8Å
100	A	38	Very low	32.1	Very low	101 Å²	101	130.9 Å²	130.9	84%	0.835	77%	0.773	S	S	*	*			trans	-68.1	88.5	175.7	0	0	0	0	0	109.2	S98 S102	S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.27Å; A100-S102 PolarHBondContact O-N 2.77Å
101	S	40.4	Very low	32.5	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	77%	0.769	S	S	*	*			trans	-87.1	91.2	156.5	66	0	0	0	0	109.1	D99	D99-S101 VanDerWaalsContact C-N 3.31Å; D99-S101 PolarHBondContact O-N 2.8Å
102	S	34	Very low	33	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	77%	0.773	S	S	*	*			trans	6.5	132.4	153	60	0	0	0	0	120.3	A100	A100-S102 PolarHBondContact O-N 2.77Å
103	N	33.9	Very low	33.3	Very low	155 Å²	155	130.7 Å²	130.7	83%	0.829	77%	0.773	S	S	*	*			trans	99.7	97.5	146.8	-58.2	-16.7	0	0	0	117.8
104	S	40.1	Very low	33.9	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	78%	0.775	S	S	*	*				-168.3	133.8	109.3	53.5	0	0	0	0	109.7
105	D	38.1	Very low	34.3	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	78%	0.775	S	S	*	*			trans	-46.6	132	172.4	-52.6	-72.8	0	0	0	111.9
106	D	41.5	Very low	34.8	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	77%	0.769	S	S	*	*			trans	-176.3	144.2	135.4	-89.8	-29.6	0	0	0	110.2
107	D	37.4	Very low	35	Very low	159 Å²	159	131 Å²	131	85%	0.85	76%	0.761	S	S	*	*			trans	-57	163.5	-164.7	-76.4	-70	0	0	0	117.9
108	E	35.1	Very low	35.1	Very low	183 Å²	183	126.1 Å²	126.1	86%	0.855	75%	0.746	S	S	*	*			trans	104.8	94.5	151.5	-136.8	166.8	-147.1	0	0	116.7	P110	E108-P110 WeakPolarHBondContact O-CD 3.49Å
109	I	30	Very low	35.1	Very low	155 Å²	155	131.3 Å²	131.3	80%	0.795	75%	0.75	S	S	*	*			trans	-73.3	116.9	175.2	-58.2	164.3	0	0	0	109.4	A111	I109-A111 HydrophobicContact CG2-CB 4.13Å; I109-A111 PolarHBondContact O-N 3.43Å
110	P	31.5	Very low	35.2	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	73%	0.733	S	S	*	*			trans	-90	94.8	156	25.4	-10.1	0	0	0	107.5	E108 D112	E108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-D112 VanDerWaalsContact C-N 3.28Å; P110-D112 PolarHBondContact O-N 2.83Å
111	A	32.5	Very low	35.1	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	72%	0.716	S	S	*	*			trans	-74.9	86.2	164.9	0	0	0	0	0	107.6	I109	I109-A111 HydrophobicContact CG2-CB 4.13Å; I109-A111 PolarHBondContact O-N 3.43Å
112	D	31.7	Very low	35.3	Very low	155 Å²	155	126.1 Å²	126.1	83%	0.829	70%	0.701	S	S	*	*			trans	-108.9	125.7	164.6	-154.5	3.9	0	0	0	109.9	P110	P110-D112 VanDerWaalsContact C-N 3.28Å; P110-D112 PolarHBondContact O-N 2.83Å
113	N	30.9	Very low	35.8	Very low	122 Å²	122	126.4 Å²	126.4	65%	0.652	69%	0.692	S	S	*	*			trans	-82.7	141.4	-151	-70.9	-62.8	0	0	0	112.4	D115	N113-D115 PolarHBondContact O-N 3.07Å
114	S	36.6	Very low	36.2	Very low	110 Å²	110	124.3 Å²	124.3	77%	0.769	68%	0.68	S	S	*	*			trans	-62.6	88.9	172.9	54.7	0	0	0	0	113
115	D	33.1	Very low	36.1	Very low	122 Å²	122	125.2 Å²	125.2	65%	0.652	67%	0.666	S	S	*	*			trans	-129.4	21	174.1	-84.8	-34.6	0	0	0	113.8	N113	N113-D115 PolarHBondContact O-N 3.07Å
116	E	36.7	Very low	36.5	Very low	127 Å²	127	124 Å²	124	59%	0.593	66%	0.655	S	S	*	*	H	α-helix	trans	-82	-31.8	-174.5	-140.8	-180	147.1	0	0	116.9	K120	E116-K120 WeakPolarHBondContact OE1-CE 3.43Å; E116-K120 IonicContact OE1-NZ 3.24Å; E116-K120 PolarHBondContact OE1-NZ 3.22Å
117	P	33.4	Very low	36.6	Very low	88 Å²	88	122.3 Å²	122.3	57%	0.571	64%	0.64	S	S	*	*	H	α-helix	trans	-61.8	-44.5	179.5	-19	29.1	0	0	0	115.3	R119 I121	P117-R119 PolarHBondContact O-N 2.89Å; P117-I121 WeakPolarHBondContact O-CG1 3.46Å; P117-I121 PolarHBondContact O-N 3.12Å
118	P	32.2	Very low	36.8	Very low	78 Å²	78	118.9 Å²	118.9	51%	0.506	62%	0.621	S	S	.	*	H	α-helix	trans	-70.9	-31.1	-172.2	23.2	-29.7	0	0	0	113.6	I121 A122	P118-I121 PolarHBondContact O-N 2.83Å; P118-A122 PolarHBondContact O-N 3.2Å; P118-A122 VanDerWaalsContact O-N 3.11Å
119	R	36.3	Very low	37.2	Very low	208 Å²	208	116.4 Å²	116.4	79%	0.785	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-44.7	178.2	-81.4	-174.1	177.8	172.9	2.3	112.5	P117 I121 A122 E123	P117-R119 PolarHBondContact O-N 2.89Å; R119-I121 VanDerWaalsContact C-N 3.28Å; R119-I121 PolarHBondContact O-N 2.88Å; R119-A122 PolarHBondContact O-N 3.24Å; R119-E123 PolarHBondContact O-N 3.16Å; R119-E123 VanDerWaalsContact O-N 3.12Å
120	K	36	Very low	37.9	Very low	111 Å²	111	112.9 Å²	112.9	48%	0.483	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-34.3	180	-69.7	179.4	-175.8	165.7	0	111.8	E116 L124	E116-K120 WeakPolarHBondContact OE1-CE 3.43Å; E116-K120 IonicContact OE1-NZ 3.24Å; E116-K120 PolarHBondContact OE1-NZ 3.22Å; K120-L124 WeakPolarHBondContact O-CB 3.5Å; K120-L124 PolarHBondContact O-N 3.08Å; K120-L124 VanDerWaalsContact O-N 3.09Å
121	I	36.3	Very low	38.2	Very low	94 Å²	94	109 Å²	109	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-69.4	-40.3	175.6	-64	169.7	0	0	0	111.3	P117 P118 R119 L124 R125	P117-I121 WeakPolarHBondContact O-CG1 3.46Å; P117-I121 PolarHBondContact O-N 3.12Å; P118-I121 PolarHBondContact O-N 2.83Å; R119-I121 VanDerWaalsContact C-N 3.28Å; R119-I121 PolarHBondContact O-N 2.88Å; I121-L124 PolarHBondContact O-N 3.36Å; I121-R125 WeakPolarHBondContact O-CG 3.47Å; I121-R125 PolarHBondContact O-N 3.39Å
122	A	44.3	Very low	38.4	Very low	57 Å²	57	107 Å²	107	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-62.8	-44.1	177.7	0	0	0	0	0	111.9	P118 R119 L124 R125 E126	P118-A122 PolarHBondContact O-N 3.2Å; P118-A122 VanDerWaalsContact O-N 3.11Å; R119-A122 PolarHBondContact O-N 3.24Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 2.04Å; A122-R125 WeakPolarHBondContact O-CB 3.34Å; A122-R125 PolarHBondContact O-N 3.08Å; A122-E126 PolarHBondContact O-N 3.46Å; A122-E126 VanDerWaalsContact O-N 3.1Å
123	E	44.8	Very low	38.7	Very low	101 Å²	101	105.1 Å²	105.1	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-40	175.9	-162.6	-171.3	153.3	0	0	111.7	R119 R125 E126 K127	R119-E123 PolarHBondContact O-N 3.16Å; R119-E123 VanDerWaalsContact O-N 3.12Å; E123-R125 VanDerWaalsContact C-N 3.34Å; E123-R125 PolarHBondContact O-N 3.49Å; E123-E126 PolarHBondContact O-N 3.45Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 3.47Å; E123-K127 VanDerWaalsContact OE1-CE 3.28Å; E123-K127 WeakPolarHBondContact OE1-CE 3.42Å; E123-K127 IonicContact OE1-NZ 3.66Å; E123-K127 PolarHBondContact OE1-NZ 3Å
124	L	41.2	Very low	38.9	Very low	111 Å²	111	102.3 Å²	102.3	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-63.7	-39.7	175.9	-148.1	96.6	0	0	0	111.9	K120 I121 A122 L128	K120-L124 WeakPolarHBondContact O-CB 3.5Å; K120-L124 PolarHBondContact O-N 3.08Å; K120-L124 VanDerWaalsContact O-N 3.09Å; I121-L124 PolarHBondContact O-N 3.36Å; A122-L124 VanDerWaalsContact C-N 3.34Å; A122-L124 PolarHBondContact O-N 2.04Å; L124-L128 HydrophobicContact CD2-CD1 4.22Å; L124-L128 WeakPolarHBondContact O-CB 3.29Å; L124-L128 WeakPolarHBondContact O-CG 3.05Å; L124-L128 PolarHBondContact O-N 3.41Å
125	R	38.2	Very low	38.6	Very low	134 Å²	134	99.6 Å²	99.6	51%	0.506	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.3	-77.7	-178.6	-176.7	173.2	8.5	111.7	I121 A122 E123 L128 K129	I121-R125 WeakPolarHBondContact O-CG 3.47Å; I121-R125 PolarHBondContact O-N 3.39Å; A122-R125 WeakPolarHBondContact O-CB 3.34Å; A122-R125 PolarHBondContact O-N 3.08Å; E123-R125 VanDerWaalsContact C-N 3.34Å; E123-R125 PolarHBondContact O-N 3.49Å; R125-L128 PolarHBondContact O-N 2.81Å; R125-K129 WeakPolarHBondContact O-CB 3.3Å; R125-K129 PolarHBondContact O-N 3.04Å
126	E	46.4	Very low	38.4	Very low	125 Å²	125	102 Å²	102	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-65.4	-45	-179.6	-159.7	-171.2	176.3	0	0	111.1	A122 E123 L128 K129 N130	A122-E126 PolarHBondContact O-N 3.46Å; A122-E126 VanDerWaalsContact O-N 3.1Å; E123-E126 PolarHBondContact O-N 3.45Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 2.85Å; E126-K129 PolarHBondContact O-N 3.49Å; E126-N130 WeakPolarHBondContact O-CB 3.38Å; E126-N130 VanDerWaalsContact O-CG 3.29Å; E126-N130 PolarHBondContact O-N 3.32Å; E126-N130 PolarHBondContact O-ND2 2.89Å
127	K	44.3	Very low	38.2	Very low	127 Å²	127	100.7 Å²	100.7	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-59.4	-42.8	174.6	-71.8	178.6	-175.2	170.1	0	112.2	E123 A131	E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 3.47Å; E123-K127 VanDerWaalsContact OE1-CE 3.28Å; E123-K127 WeakPolarHBondContact OE1-CE 3.42Å; E123-K127 IonicContact OE1-NZ 3.66Å; E123-K127 PolarHBondContact OE1-NZ 3Å; K127-A131 VanDerWaalsContact O-CB 3.26Å; K127-A131 WeakPolarHBondContact O-CB 3.33Å; K127-A131 PolarHBondContact O-N 2.04Å
128	L	42.2	Very low	37.9	Very low	87 Å²	87	101.8 Å²	101.8	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-35.9	177.1	-77.5	169.9	0	0	0	112.8	L124 R125 E126 A132	L124-L128 HydrophobicContact CD2-CD1 4.22Å; L124-L128 WeakPolarHBondContact O-CB 3.29Å; L124-L128 WeakPolarHBondContact O-CG 3.05Å; L124-L128 PolarHBondContact O-N 3.41Å; R125-L128 PolarHBondContact O-N 2.81Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 2.85Å; L128-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 PolarHBondContact O-N 2.96Å
129	K	43.3	Very low	37.6	Very low	130 Å²	130	108.2 Å²	108.2	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-68.6	-48.6	176.7	-168.9	-176.4	176.4	-166.2	0	111.1	R125 E126 A131 A132 E133	R125-K129 WeakPolarHBondContact O-CB 3.3Å; R125-K129 PolarHBondContact O-N 3.04Å; E126-K129 PolarHBondContact O-N 3.49Å; K129-A131 VanDerWaalsContact C-N 3.26Å; K129-A131 PolarHBondContact O-N 2.84Å; K129-A132 WeakPolarHBondContact O-CB 3.42Å; K129-A132 PolarHBondContact O-N 3.09Å; K129-E133 WeakPolarHBondContact CE-OE1 3.48Å; K129-E133 PolarHBondContact O-N 3.46Å
130	N	44.4	Very low	37	Very low	81 Å²	81	102.4 Å²	102.4	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-59.3	-40.6	175.5	-66.9	-14.7	0	0	0	110.7	E126 V134	E126-N130 WeakPolarHBondContact O-CB 3.38Å; E126-N130 VanDerWaalsContact O-CG 3.29Å; E126-N130 PolarHBondContact O-N 3.32Å; E126-N130 PolarHBondContact O-ND2 2.89Å; N130-V134 VanDerWaalsContact O-CG2 3.29Å; N130-V134 WeakPolarHBondContact O-CG2 3.45Å; N130-V134 PolarHBondContact O-N 3.33Å
131	A	38.3	Very low	36.5	Very low	40 Å²	40	103.1 Å²	103.1	33%	0.331	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-38.2	173.6	0	0	0	0	0	112.6	K127 K129 L135	K127-A131 VanDerWaalsContact O-CB 3.26Å; K127-A131 WeakPolarHBondContact O-CB 3.33Å; K127-A131 PolarHBondContact O-N 2.04Å; K129-A131 VanDerWaalsContact C-N 3.26Å; K129-A131 PolarHBondContact O-N 2.84Å; A131-L135 VanDerWaalsContact O-CB 3.23Å; A131-L135 WeakPolarHBondContact O-CB 3.33Å; A131-L135 VanDerWaalsContact O-CD1 3.3Å; A131-L135 WeakPolarHBondContact O-CD1 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.39Å; A131-L135 PolarHBondContact O-N 3.05Å
132	A	35.1	Very low	35.9	Very low	38 Å²	38	104 Å²	104	31%	0.314	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-42	178.3	0	0	0	0	0	112.6	L128 K129 V134 L135 E136	L128-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 PolarHBondContact O-N 2.96Å; K129-A132 WeakPolarHBondContact O-CB 3.42Å; K129-A132 PolarHBondContact O-N 3.09Å; A132-V134 VanDerWaalsContact C-N 3.34Å; A132-V134 PolarHBondContact O-N 2.89Å; A132-L135 PolarHBondContact O-N 2.93Å; A132-E136 PolarHBondContact O-N 3.02Å
133	E	39.2	Very low	35	Very low	117 Å²	117	106.7 Å²	106.7	55%	0.547	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-38.7	177.3	-70.9	177.4	-169.6	0	0	111.8	K129 L135	K129-E133 WeakPolarHBondContact CE-OE1 3.48Å; K129-E133 PolarHBondContact O-N 3.46Å; E133-L135 VanDerWaalsContact C-N 3.33Å
134	V	35.6	Very low	34	Very low	63 Å²	63	108.3 Å²	108.3	38%	0.382	55%	0.55	S	S	.	.	H	α-helix	trans	-69.3	-32.7	175.3	174	0	0	0	0	111.9	L74 N130 A132 P137	L74-V134 HydrophobicContact CD1-CG1 4.03Å; L74-V134 HydrophobicContact CD1-CG2 4.09Å; N130-V134 VanDerWaalsContact O-CG2 3.29Å; N130-V134 WeakPolarHBondContact O-CG2 3.45Å; N130-V134 PolarHBondContact O-N 3.33Å; A132-V134 VanDerWaalsContact C-N 3.34Å; A132-V134 PolarHBondContact O-N 2.89Å; V134-P137 WeakPolarHBondContact O-CD 3.44Å
135	L	28.6	Very low	33.2	Very low	53 Å²	53	109.8 Å²	109.8	28%	0.277	56%	0.557	S	S	.	*	H	α-helix	trans	-90.8	-9.4	-174.2	-67.3	170.6	0	0	0	114	A131 A132 E133 P137 F138	A131-L135 VanDerWaalsContact O-CB 3.23Å; A131-L135 WeakPolarHBondContact O-CB 3.33Å; A131-L135 VanDerWaalsContact O-CD1 3.3Å; A131-L135 WeakPolarHBondContact O-CD1 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.39Å; A131-L135 PolarHBondContact O-N 3.05Å; A132-L135 PolarHBondContact O-N 2.93Å; E133-L135 VanDerWaalsContact C-N 3.33Å; L135-P137 VanDerWaalsContact C-N 3.29Å; L135-F138 CarbonylContact O-C 3.58Å; L135-F138 PolarHBondContact O-N 2.79Å
136	E	29.6	Very low	32.8	Very low	172 Å²	172	111.1 Å²	111.1	80%	0.804	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.9	-38.6	177.2	-113	-171.5	176.4	0	0	115	A132 F138	A132-E136 PolarHBondContact O-N 3.02Å; E136-F138 VanDerWaalsContact C-N 3.26Å; E136-F138 PolarHBondContact O-N 2.78Å
137	P	33	Very low	31.7	Very low	100 Å²	100	109.8 Å²	109.8	65%	0.649	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-23.9	176.7	-17.3	30.5	0	0	0	113.5	V134 L135	V134-P137 WeakPolarHBondContact O-CD 3.44Å; L135-P137 VanDerWaalsContact C-N 3.29Å
138	F	27.1	Very low	31.3	Very low	110 Å²	110	108.9 Å²	108.9	48%	0.482	58%	0.575	S	S	.	*	S	Bend	trans	-104.9	118.3	-172.3	-56.2	-83.4	0	0	0	108.9	L135 E136 V140	L135-F138 CarbonylContact O-C 3.58Å; L135-F138 PolarHBondContact O-N 2.79Å; E136-F138 VanDerWaalsContact C-N 3.26Å; E136-F138 PolarHBondContact O-N 2.78Å; F138-V140 HydrophobicContact CB-CG2 3.68Å; F138-V140 PolarHBondContact O-N 2.91Å
139	K	25	Very low	30.6	Very low	213 Å²	213	112.7 Å²	112.7	93%	0.926	60%	0.596	S	S	*	*			trans	-68.2	57	173.5	-70	-177.7	175.9	-179.8	0	111.6
140	V	24.2	Very low	30	Very low	87 Å²	87	112.9 Å²	112.9	53%	0.527	60%	0.603	S	S	.	*			trans	-86	113.6	-179.8	-177.4	0	0	0	0	108.3	F138 K142	F138-V140 HydrophobicContact CB-CG2 3.68Å; F138-V140 PolarHBondContact O-N 2.91Å; V140-K142 PolarHBondContact O-N 3.02Å
141	V	24.4	Very low	29.1	Very low	125 Å²	125	113.3 Å²	113.3	76%	0.758	61%	0.611	S	S	*	*			trans	-67.7	108.7	174.9	177.6	0	0	0	0	108.4
142	K	25.3	Very low	28.5	Very low	114 Å²	114	117.7 Å²	117.7	50%	0.496	63%	0.634	S	S	.	*			trans	-76.7	126.7	177.6	-70.1	178.4	178.2	176	0	110.1	V140	V140-K142 PolarHBondContact O-N 3.02Å
143	V	25.2	Very low	28.1	Very low	112 Å²	112	122.1 Å²	122.1	68%	0.679	66%	0.658	S	S	*	*			trans	-121.7	115.5	170.8	178.6	0	0	0	0	107.5	L145	V143-L145 HydrophobicContact CG1-CD1 4.26Å; V143-L145 HydrophobicContact CG1-CG 4.48Å
144	I	24.4	Very low	27.7	Very low	135 Å²	135	121.3 Å²	121.3	69%	0.692	66%	0.656	S	S	*	*			trans	-126	122.5	172.3	-59.4	179.2	0	0	0	108	L146	I144-L146 HydrophobicContact CG2-CD1 4.44Å
145	L	23.7	Very low	27.3	Very low	142 Å²	142	127.3 Å²	127.3	74%	0.743	68%	0.677	S	S	*	*			trans	-106.5	120.7	-174.5	-84.1	144	0	0	0	110.1	V143	V143-L145 HydrophobicContact CG1-CD1 4.26Å; V143-L145 HydrophobicContact CG1-CG 4.48Å
146	L	28.6	Very low	27.3	Very low	162 Å²	162	129.7 Å²	129.7	85%	0.848	70%	0.699	S	S	*	*			trans	-141.4	151.8	174.5	-73.1	170.8	0	0	0	113	I144	I144-L146 HydrophobicContact CG2-CD1 4.44Å
147	L	24.5	Very low	27.3	Very low	98 Å²	98	129.8 Å²	129.8	51%	0.513	70%	0.699	S	S	.	*			trans	-103.6	142.9	-168.7	-72.6	118.8	0	0	0	112.6	K253	L147-K253 HydrophobicContact CD1-CD 4.39Å; L147-K253 HydrophobicContact CD2-CD 3.92Å
148	V	34.8	Very low	27.2	Very low	107 Å²	107	130.1 Å²	130.1	65%	0.648	70%	0.695	S	S	*	*			trans	-148.2	153.5	173.5	-167.1	0	0	0	0	110.7
149	N	28.2	Very low	27.5	Very low	168 Å²	168	132.8 Å²	132.8	90%	0.898	71%	0.714	S	S	*	*	S	Bend	trans	-113.1	-3.3	-168.4	-106.3	3.5	0	0	0	117.4
150	D	30.4	Very low	27.7	Very low	134 Å²	134	125.3 Å²	125.3	72%	0.717	70%	0.697	S	S	*	*			trans	-161	150	169.1	-138.2	-31.4	0	0	0	114.5
151	C	25.8	Very low	28	Very low	89 Å²	89	128.6 Å²	128.6	60%	0.601	71%	0.712	S	S	*	*			trans	-133.6	4.7	-154.3	-75.8	0	0	0	0	117	T153 L154	C151-T153 PolarHBondContact O-N 3.43Å; C151-L154 HydrophobicContact CB-CD1 4.34Å
152	T	26.8	Very low	28.3	Very low	132 Å²	132	130.1 Å²	130.1	81%	0.81	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-9	-157.5	44.4	0	0	0	0	117.5
153	T	26.3	Very low	28.4	Very low	132 Å²	132	131.2 Å²	131.2	81%	0.81	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	18.3	-175.8	-23.7	0	0	0	0	114.6	C151 K155	C151-T153 PolarHBondContact O-N 3.43Å; T153-K155 PolarHBondContact O-N 3.07Å
154	L	30	Very low	28.5	Very low	99 Å²	99	132.9 Å²	132.9	52%	0.518	73%	0.727	S	S	.	*			trans	-79.3	-10.3	-170.7	-111.7	137.7	0	0	0	116.5	C151 L158	C151-L154 HydrophobicContact CB-CD1 4.34Å; L154-L158 VanDerWaalsContact O-CD1 3.26Å; L154-L158 WeakPolarHBondContact O-CD1 3.32Å
155	K	27.7	Very low	28.5	Very low	189 Å²	189	134 Å²	134	82%	0.822	73%	0.729	S	S	*	*	S	Bend	trans	-95.5	-23.5	-156.7	-161.7	170.9	-179.7	179.8	0	116.4	T153	T153-K155 PolarHBondContact O-N 3.07Å
156	S	29.2	Very low	28.4	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	72%	0.723	S	S	*	*	S	Bend	trans	-88.2	-15.6	-168.2	50.6	0	0	0	0	115.6
157	E	28.8	Very low	28.3	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	72%	0.722	S	S	*	*	S	Bend	trans	-96.7	-6.1	-173.8	-71.1	-171.9	154.5	0	0	114.8	D159	E157-D159 PolarHBondContact O-N 3.44Å
158	L	31.6	Very low	28.2	Very low	106 Å²	106	131.4 Å²	131.4	56%	0.555	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-14.6	-177.5	-87.1	99.7	0	0	0	116	L154 G160	L154-L158 VanDerWaalsContact O-CD1 3.26Å; L154-L158 WeakPolarHBondContact O-CD1 3.32Å; L158-G160 PolarHBondContact O-N 2.96Å
159	D	32	Very low	27.9	Very low	166 Å²	166	133.6 Å²	133.6	89%	0.888	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	13.9	-162.7	-87.5	-14.1	0	0	0	116.5	E157	E157-D159 PolarHBondContact O-N 3.44Å
160	G	29.1	Very low	27.7	Very low	56 Å²	56	127.5 Å²	127.5	58%	0.577	70%	0.697	S	S	*	*			trans	-160.4	91.3	179.2	0	0	0	0	0	117.4	L158	L158-G160 PolarHBondContact O-N 2.96Å
161	N	31.3	Very low	27.5	Very low	157 Å²	157	124.1 Å²	124.1	84%	0.84	68%	0.678	S	S	*	*			trans	-174.7	129.7	134.2	-109	-31	0	0	0	113.3
162	D	30.9	Very low	27.4	Very low	156 Å²	156	124 Å²	124	83%	0.834	67%	0.671	S	S	*	*			trans	-92.8	109.8	173	-68.4	-48.1	0	0	0	109.7
163	N	27.4	Very low	27.4	Very low	138 Å²	138	122.8 Å²	122.8	74%	0.738	66%	0.658	S	S	*	*			trans	-158	137.5	157.5	-95	-32.3	0	0	0	110.7	Q183	N163-Q183 PolarHBondContact O-NE2 3.45Å; N163-Q183 PolarHBondContact O-OE1 3.02Å
164	E	27.2	Very low	27.3	Very low	146 Å²	146	120.8 Å²	120.8	68%	0.682	65%	0.65	S	S	*	*			trans	-91.2	147.6	-168.5	-62.4	179.4	125.7	0	0	112.8
165	H	24	Very low	27.1	Very low	158 Å²	158	124.7 Å²	124.7	73%	0.731	67%	0.666	S	S	*	*			trans	89.9	44.1	157.7	-60.3	-57.8	0	0	0	121.2
166	I	22.8	Very low	27.2	Very low	119 Å²	119	121.6 Å²	121.6	61%	0.61	67%	0.667	S	S	*	*			trans	-136.3	111.3	153.1	-48.2	178.7	0	0	0	110.3	V168 Q183	I166-V168 VanDerWaalsContact C-N 3.32Å; I166-V168 HydrophobicContact CB-CG2 4.26Å; I166-V168 HydrophobicContact CG2-CG2 3.34Å; I166-V168 PolarHBondContact O-N 3.24Å; I166-V168 VanDerWaalsContact O-N 3.07Å; I166-Q183 VanDerWaalsContact O-CB 3.23Å; I166-Q183 WeakPolarHBondContact O-CB 3.45Å
167	E	24.7	Very low	26.9	Very low	177 Å²	177	119.6 Å²	119.6	83%	0.827	66%	0.664	S	S	*	*			trans	-79.2	78.7	170.3	-78.9	-175.1	161	0	0	109.9	L169	E167-L169 PolarHBondContact O-N 3.1Å
168	V	23.8	Very low	26.7	Very low	52 Å²	52	115.2 Å²	115.2	32%	0.315	65%	0.652	S	S	.	*			trans	-85.4	102.7	170.5	-173.1	0	0	0	0	109	I166 G170 I171 Q183	I166-V168 VanDerWaalsContact C-N 3.32Å; I166-V168 HydrophobicContact CB-CG2 4.26Å; I166-V168 HydrophobicContact CG2-CG2 3.34Å; I166-V168 PolarHBondContact O-N 3.24Å; I166-V168 VanDerWaalsContact O-N 3.07Å; V168-G170 VanDerWaalsContact C-N 3.26Å; V168-G170 WeakPolarHBondContact CG1-O 3.2Å; V168-G170 PolarHBondContact O-N 2.78Å; V168-I171 HydrophobicContact CG1-CD1 3.98Å; V168-Q183 PolarHBondContact O-N 3.4Å
169	L	27.7	Very low	26.6	Very low	153 Å²	153	115.3 Å²	115.3	80%	0.801	65%	0.648	S	S	*	*			trans	-79.3	73.8	171.4	-101.2	136.4	0	0	0	110.1	E167	E167-L169 PolarHBondContact O-N 3.1Å
170	G	24	Very low	26.6	Very low	40 Å²	40	110.1 Å²	110.1	41%	0.412	62%	0.619	S	S	.	*			trans	122.8	133.3	165.3	0	0	0	0	0	113.6	V168	V168-G170 VanDerWaalsContact C-N 3.26Å; V168-G170 WeakPolarHBondContact CG1-O 3.2Å; V168-G170 PolarHBondContact O-N 2.78Å
171	I	26.3	Very low	26.5	Very low	63 Å²	63	111.5 Å²	111.5	32%	0.323	62%	0.616	S	S	.	*			trans	-175.1	129.6	150.9	-82.6	143.4	0	0	0	104.4	V168 F179	V168-I171 HydrophobicContact CG1-CD1 3.98Å; I171-F179 WeakPolarHBondContact CG2-O 3.33Å
172	L	24.4	Very low	26.3	Very low	87 Å²	87	108.4 Å²	108.4	46%	0.455	60%	0.599	S	S	.	*				-170.6	139.3	117.1	-162.9	57.1	0	0	0	114	F179 E180	L172-F179 WeakPolarHBondContact CD1-O 3.33Å; L172-E180 HydrophobicContact CB-CG 3.73Å; L172-E180 VanDerWaalsContact CD1-CA 3.44Å; L172-E180 HydrophobicContact CD1-CB 3.79Å; L172-E180 HydrophobicContact CD1-CG 3.2Å; L172-E180 HydrophobicContact CD2-CG 3.34Å; L172-E180 HydrophobicContact CG-CG 3.5Å
173	I	26.3	Very low	26.1	Very low	106 Å²	106	104.6 Å²	104.6	54%	0.544	58%	0.576	S	S	.	*			trans	-104.6	150.6	-171.4	-64.5	162.7	0	0	0	110.4
174	S	25	Very low	26	Very low	91 Å²	91	101.1 Å²	101.1	64%	0.636	57%	0.573	S	S	*	*			trans	-122.3	-173.4	166.5	71.7	0	0	0	0	110.5
175	E	25.5	Very low	25.9	Very low	181 Å²	181	102 Å²	102	85%	0.846	57%	0.574	S	S	*	*	S	Bend		-92.9	127.7	-64.5	-76.1	-176.1	141.5	0	0	107.2
176	S	29.8	Very low	26.1	Very low	123 Å²	123	101.8 Å²	101.8	86%	0.86	58%	0.579	S	S	*	*	S	Bend	trans	67.7	74.7	164.5	69.7	0	0	0	0	119.5
177	G	23	Very low	26.3	Very low	63 Å²	63	100.4 Å²	100.4	65%	0.649	58%	0.579	S	S	*	*	S	Bend	cis	-165.4	102.9	29.5	0	0	0	0	0	110.6
178	S	24.3	Very low	26.6	Very low	82 Å²	82	96 Å²	96	57%	0.573	57%	0.568	S	S	*	*				91.4	116.3	76	60	0	0	0	0	110.3
179	F	29.5	Very low	27.1	Very low	107 Å²	107	95.9 Å²	95.9	47%	0.469	57%	0.568	S	S	.	*			trans	-178.5	153.3	130.1	55	-108	0	0	0	112.5	I171 L172	I171-F179 WeakPolarHBondContact CG2-O 3.33Å; L172-F179 WeakPolarHBondContact CD1-O 3.33Å
180	E	31.2	Very low	27.5	Very low	57 Å²	57	96.3 Å²	96.3	27%	0.266	57%	0.566	S	S	.	*			trans	-82.6	161.5	164.6	-96.4	-172.1	147.5	0	0	110.7	L172	L172-E180 HydrophobicContact CB-CG 3.73Å; L172-E180 VanDerWaalsContact CD1-CA 3.44Å; L172-E180 HydrophobicContact CD1-CB 3.79Å; L172-E180 HydrophobicContact CD1-CG 3.2Å; L172-E180 HydrophobicContact CD2-CG 3.34Å; L172-E180 HydrophobicContact CG-CG 3.5Å
181	V	27.2	Very low	28.2	Very low	86 Å²	86	100 Å²	100	52%	0.521	57%	0.571	S	S	.	*				-155.9	140.1	67.1	167.3	0	0	0	0	113.9
182	L	27.9	Very low	28.6	Very low	92 Å²	92	101.1 Å²	101.1	48%	0.482	58%	0.575	S	S	.	*			trans	-82.8	140.2	164.9	-65	158.3	0	0	0	110.9
183	Q	25.4	Very low	28.9	Very low	75 Å²	75	99.2 Å²	99.2	35%	0.35	57%	0.568	S	S	.	*			trans	-145	85.9	159.3	-105.3	-170	1.5	0	0	111.7	N163 I166 V168	N163-Q183 PolarHBondContact O-NE2 3.45Å; N163-Q183 PolarHBondContact O-OE1 3.02Å; I166-Q183 VanDerWaalsContact O-CB 3.23Å; I166-Q183 WeakPolarHBondContact O-CB 3.45Å; V168-Q183 PolarHBondContact O-N 3.4Å
184	G	26.9	Very low	29	Very low	65 Å²	65	98.7 Å²	98.7	67%	0.67	57%	0.565	S	S	*	*			trans	-119.7	105.4	162.4	0	0	0	0	0	108.4	N186	G184-N186 PolarHBondContact O-N 2.67Å
185	K	25.2	Very low	29.2	Very low	164 Å²	164	96.4 Å²	96.4	71%	0.713	55%	0.549	S	S	*	.			trans	-51.5	130.8	-173.5	-69.3	179	173.7	-177	0	112.4	C187	K185-C187 PolarHBondContact O-N 3.23Å
186	N	26.5	Very low	29.2	Very low	155 Å²	155	92.5 Å²	92.5	83%	0.829	54%	0.54	S	S	*	.			trans	45.7	67	157.6	-64.8	-14.2	0	0	0	116.5	G184 S188	G184-N186 PolarHBondContact O-N 2.67Å; N186-S188 VanDerWaalsContact C-N 3.3Å; N186-S188 PolarHBondContact O-N 3.18Å; N186-S188 VanDerWaalsContact O-N 3.09Å
187	C	27.8	Very low	29.2	Very low	90 Å²	90	89.3 Å²	89.3	61%	0.608	51%	0.51	S	S	*	.			trans	-78.7	84.2	159.6	-141.8	0	0	0	0	108.6	K185 C189	K185-C187 PolarHBondContact O-N 3.23Å; C187-C189 PolarHBondContact O-N 3.42Å
188	S	30.8	Very low	29.3	Very low	85 Å²	85	92.1 Å²	92.1	59%	0.594	51%	0.506	S	S	*	.			trans	-79.9	55	-179.2	64.6	0	0	0	0	112.3	N186 E190	N186-S188 VanDerWaalsContact C-N 3.3Å; N186-S188 PolarHBondContact O-N 3.18Å; N186-S188 VanDerWaalsContact O-N 3.09Å; S188-E190 VanDerWaalsContact C-N 3.33Å; S188-E190 PolarHBondContact O-N 3.12Å
189	C	34.8	Very low	29.5	Very low	48 Å²	48	88.6 Å²	88.6	32%	0.324	48%	0.48	S	S	.	.			trans	-75.7	90.3	168.7	-63.5	0	0	0	0	107.9	C187 K191 C243	C187-C189 PolarHBondContact O-N 3.42Å; C189-K191 VanDerWaalsContact C-N 3.25Å; C189-K191 PolarHBondContact O-N 3.02Å; C189-C243 VanDerWaalsContact SG-SG 3.6Å
190	E	35.8	Very low	29.5	Very low	163 Å²	163	87.3 Å²	87.3	76%	0.762	48%	0.481	S	S	*	.			trans	-63.2	-27.9	-171.1	-72.1	-168.4	163.7	0	0	113.7	S188	S188-E190 VanDerWaalsContact C-N 3.33Å; S188-E190 PolarHBondContact O-N 3.12Å
191	K	37.8	Very low	29.5	Very low	118 Å²	118	91.5 Å²	91.5	51%	0.513	51%	0.505	S	S	.	.			trans	-149.9	121.9	-169.6	-60.8	179	-176.2	155	0	112.6	C189 Y241	C189-K191 VanDerWaalsContact C-N 3.25Å; C189-K191 PolarHBondContact O-N 3.02Å; K191-Y241 PolarHBondContact O-N 2.84Å
192	E	36.6	Very low	29.6	Very low	86 Å²	86	90.8 Å²	90.8	40%	0.402	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.8	166.7	-175.7	165	-154.9	0	0	109.3	I194 R240	E192-I194 HydrophobicContact CG-CG1 4.36Å; E192-R240 HydrophobicContact CB-CG 4.42Å; E192-R240 VanDerWaalsContact CD-NE 3.34Å; E192-R240 HydrophobicContact CG-CG 3.99Å; E192-R240 IonicContact OE1-CZ 3.83Å; E192-R240 IonicContact OE1-NE 3.67Å; E192-R240 PolarHBondContact OE1-NE 2.99Å; E192-R240 IonicContact OE1-NH2 3.23Å; E192-R240 PolarHBondContact OE1-NH2 2.95Å; E192-R240 IonicContact OE2-CZ 2.7Å; E192-R240 IonicContact OE2-NE 2.99Å; E192-R240 IonicContact OE2-NH2 3.38Å; E192-R240 PolarHBondContact OE2-NH2 3.12Å
193	C	30.3	Very low	29.6	Very low	46 Å²	46	92.5 Å²	92.5	31%	0.311	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.6	170.7	-75	0	0	0	0	109.3	V239	C193-V239 PolarHBondContact N-O 3.45Å; C193-V239 PolarHBondContact O-N 3.04Å
194	I	27.8	Very low	30	Very low	95 Å²	95	91.1 Å²	91.1	49%	0.487	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.2	175.3	-56.3	178.2	0	0	0	107.9	E192 R238	E192-I194 HydrophobicContact CG-CG1 4.36Å; I194-R238 HydrophobicContact CB-CG 4.33Å; I194-R238 HydrophobicContact CG1-CG 4.09Å; I194-R238 HydrophobicContact CG2-CG 4.02Å
195	C	29.8	Very low	30.2	Very low	43 Å²	43	96.8 Å²	96.8	29%	0.291	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	99.6	174.1	-68	0	0	0	0	109	W197 M210 T237	C195-W197 VanDerWaalsContact O-CD1 3.26Å; C195-M210 HydrophobicContact CB-CE 3.74Å; C195-T237 CarbonylContact C-O 3.54Å; C195-T237 VanDerWaalsContact C-O 3.3Å; C195-T237 WeakPolarHBondContact CA-O 3.29Å; C195-T237 PolarHBondContact N-O 3.23Å; C195-T237 CarbonylContact O-C 3.53Å; C195-T237 WeakPolarHBondContact O-CA 3.42Å; C195-T237 WeakPolarHBondContact O-CB 3.48Å; C195-T237 PolarHBondContact O-N 2.87Å
196	C	25.7	Very low	30.6	Very low	99 Å²	99	96 Å²	96	67%	0.669	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	133.1	175.5	-65.3	0	0	0	0	110.6
197	W	28.3	Very low	30.9	Very low	57 Å²	57	95 Å²	95	22%	0.216	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.5	174.1	-58.6	68.1	0	0	0	109.7	C195 C204 K205 F207 H234 I235 T237	C195-W197 VanDerWaalsContact O-CD1 3.26Å; W197-C204 HydrophobicContact CE3-CB 4.47Å; W197-K205 WeakPolarHBondContact CZ3-O 3.42Å; W197-F207 HydrophobicContact CH2-CB 4.14Å; W197-F207 HydrophobicContact CH2-CD2 4.07Å; W197-F207 HydrophobicContact CH2-CG 4.49Å; W197-F207 HydrophobicContact CZ2-CD2 4.05Å; W197-H234 WeakPolarHBondContact O-CA 3.34Å; W197-I235 WeakPolarHBondContact CA-O 3.34Å; W197-I235 HydrophobicContact CB-CB 4.43Å; W197-I235 VanDerWaalsContact CB-O 3.29Å; W197-I235 WeakPolarHBondContact CB-O 3.23Å; W197-I235 PolarHBondContact N-O 2.98Å; W197-I235 PolarHBondContact O-N 2.98Å; W197-T237 VanDerWaalsContact CD1-OG1 3.3Å; W197-T237 PolarHBondContact NE1-OG1 2.82Å
198	H	25.7	Very low	30.9	Very low	122 Å²	122	100.5 Å²	100.5	57%	0.565	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.9	163.1	-171.5	48.3	0	0	0	107.2	H234	H198-H234 AromaticContact CE1-CE1 3.49Å; H198-H234 PolarHBondContact CE1-CE1 3.06Å; H198-H234 VanDerWaalsContact CE1-CE1 3.49Å; H198-H234 AromaticContact CE1-NE2 3.39Å; H198-H234 PolarHBondContact CE1-NE2 3.28Å; H198-H234 AromaticContact CG-CE1 3.59Å; H198-H234 AromaticContact CG-ND1 3.9Å; H198-H234 AromaticContact ND1-CD2 3.73Å; H198-H234 AromaticContact ND1-CE1 2.81Å; H198-H234 PolarHBondContact ND1-CE1 3.09Å; H198-H234 AromaticContact ND1-CG 3.82Å; H198-H234 AromaticContact ND1-ND1 3.24Å; H198-H234 PolarHBondContact ND1-ND1 2.89Å; H198-H234 AromaticContact ND1-NE2 3.08Å; H198-H234 PolarHBondContact ND1-NE2 3.32Å
199	C	29.5	Very low	30.8	Very low	7 Å²	7	105 Å²	105	5%	0.047	54%	0.544	C	S	.	.			trans	-103.1	132.5	175.5	-57.6	0	0	0	0	107.8	C204 Q233 I235	C199-C204 HydrophobicContact CB-CB 4.19Å; C199-C204 WeakPolarHBondContact CB-SG 3.48Å; C199-C204 WeakPolarHBondContact SG-CB 3.5Å; C199-C204 CovalentContact SG-SG 2.04Å; C199-C204 PolarHBondContact SG-SG 3.41Å; C199-Q233 CarbonylContact C-O 3.5Å; C199-Q233 WeakPolarHBondContact CB-O 3.35Å; C199-Q233 PolarHBondContact N-O 3.49Å; C199-Q233 VanDerWaalsContact N-O 3.16Å; C199-Q233 WeakPolarHBondContact O-CB 3.29Å; C199-I235 WeakPolarHBondContact SG-CD1 3.42Å
200	V	28	Very low	30.7	Very low	80 Å²	80	105.1 Å²	105.1	49%	0.485	54%	0.541	S	S	.	.	B	Isolated β-bridge	trans	-113.6	125	174.6	-178.4	0	0	0	0	106.3	G202 D203	V200-G202 VanDerWaalsContact C-N 3.25Å; V200-G202 PolarHBondContact O-N 3.4Å; V200-D203 PolarHBondContact O-N 3.48Å; V200-D203 VanDerWaalsContact O-N 3.12Å
201	D	32.9	Very low	30.3	Very low	145 Å²	145	102 Å²	102	78%	0.775	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37	178.3	-59.7	-36.3	0	0	0	115.1	D203	D201-D203 PolarHBondContact O-N 2.77Å
202	G	28.4	Very low	30	Very low	71 Å²	71	97.8 Å²	97.8	73%	0.732	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-7.4	177.6	0	0	0	0	0	115	V200 C204	V200-G202 VanDerWaalsContact C-N 3.25Å; V200-G202 PolarHBondContact O-N 3.4Å; G202-C204 PolarHBondContact O-N 3.35Å
203	D	27.4	Very low	29.8	Very low	129 Å²	129	103.1 Å²	103.1	69%	0.69	54%	0.544	S	S	*	.	B	Isolated β-bridge	trans	-92.1	89.8	176.2	-107.6	-15.7	0	0	0	110.4	V200 D201 K205	V200-D203 PolarHBondContact O-N 3.48Å; V200-D203 VanDerWaalsContact O-N 3.12Å; D201-D203 PolarHBondContact O-N 2.77Å; D203-K205 PolarHBondContact O-N 2.92Å; D203-K205 VanDerWaalsContact O-N 3.08Å
204	C	34.4	Very low	30.3	Very low	46 Å²	46	102.1 Å²	102.1	31%	0.311	54%	0.539	S	S	.	.			trans	-76.6	93.5	171.6	-54.1	0	0	0	0	109	W197 C199 G202 D206 I235	W197-C204 HydrophobicContact CE3-CB 4.47Å; C199-C204 HydrophobicContact CB-CB 4.19Å; C199-C204 WeakPolarHBondContact CB-SG 3.48Å; C199-C204 WeakPolarHBondContact SG-CB 3.5Å; C199-C204 CovalentContact SG-SG 2.04Å; C199-C204 PolarHBondContact SG-SG 3.41Å; G202-C204 PolarHBondContact O-N 3.35Å; C204-D206 PolarHBondContact O-N 3.39Å; C204-I235 WeakPolarHBondContact SG-CD1 3.45Å
205	K	31.5	Very low	31	Very low	183 Å²	183	102.7 Å²	102.7	80%	0.796	55%	0.551	S	S	*	*			trans	-58.6	111.7	-177.6	-76.7	-174.9	178.3	176.1	0	112.2	W197 D203	W197-K205 WeakPolarHBondContact CZ3-O 3.42Å; D203-K205 PolarHBondContact O-N 2.92Å; D203-K205 VanDerWaalsContact O-N 3.08Å
206	D	33.6	Very low	32	Very low	147 Å²	147	101 Å²	101	79%	0.786	54%	0.539	S	S	*	.			trans	28.8	119	161.4	-69.5	-39	0	0	0	120	C204 K208	C204-D206 PolarHBondContact O-N 3.39Å; D206-K208 VanDerWaalsContact C-N 3.25Å; D206-K208 PolarHBondContact O-N 2.88Å
207	F	32.9	Very low	33.1	Very low	136 Å²	136	99.3 Å²	99.3	60%	0.596	53%	0.528	S	S	*	.			trans	-43.1	79.5	157.2	-153.1	-93.2	0	0	0	112	W197 K209 M210	W197-F207 HydrophobicContact CH2-CB 4.14Å; W197-F207 HydrophobicContact CH2-CD2 4.07Å; W197-F207 HydrophobicContact CH2-CG 4.49Å; W197-F207 HydrophobicContact CZ2-CD2 4.05Å; F207-K209 PolarHBondContact O-N 3.49Å; F207-M210 HydrophobicContact CZ-CB 4.45Å; F207-M210 HydrophobicContact CZ-CG 4.39Å
208	K	27	Very low	34.4	Very low	204 Å²	204	99.2 Å²	99.2	89%	0.887	54%	0.539	S	S	*	.			trans	-65.5	92.6	157.9	-109.8	-174.4	-178.9	177.1	0	105.8	D206 M210	D206-K208 VanDerWaalsContact C-N 3.25Å; D206-K208 PolarHBondContact O-N 2.88Å; K208-M210 PolarHBondContact O-N 3.21Å
209	K	29.6	Very low	35.7	Very low	179 Å²	179	95.6 Å²	95.6	78%	0.778	53%	0.534	S	S	*	.			trans	7.9	98.6	168.8	-96.3	174.7	170.1	172.7	0	110.4	F207 S211	F207-K209 PolarHBondContact O-N 3.49Å; K209-S211 PolarHBondContact O-N 2.87Å
210	M	31	Very low	37	Very low	52 Å²	52	98.6 Å²	98.6	26%	0.256	55%	0.547	S	S	.	.			trans	-53.9	92.7	157.8	-78.3	-172.3	-169.4	0	0	106.1	C195 F207 K208 C212 T237 V239	C195-M210 HydrophobicContact CB-CE 3.74Å; F207-M210 HydrophobicContact CZ-CB 4.45Å; F207-M210 HydrophobicContact CZ-CG 4.39Å; K208-M210 PolarHBondContact O-N 3.21Å; M210-C212 PolarHBondContact O-N 3.43Å; M210-T237 HydrophobicContact CE-CG2 3.88Å; M210-V239 HydrophobicContact CE-CG2 4.01Å; M210-V239 HydrophobicContact SD-CG2 3.69Å
211	S	28.2	Very low	38	Very low	96 Å²	96	95.5 Å²	95.5	67%	0.671	53%	0.528	S	S	*	.			trans	-79.3	60	167.8	61.8	0	0	0	0	105.9	K209 K213	K209-S211 PolarHBondContact O-N 2.87Å; S211-K213 PolarHBondContact O-N 3.23Å
212	C	32.4	Very low	38.9	Very low	31 Å²	31	88.6 Å²	88.6	21%	0.209	49%	0.492	C	S	.	.			trans	-64.4	93.6	161.8	-80	0	0	0	0	104.8	M210 A214 Y241	M210-C212 PolarHBondContact O-N 3.43Å; C212-A214 PolarHBondContact O-N 2.89Å; C212-Y241 HydrophobicContact CB-CE1 4.47Å; C212-Y241 HydrophobicContact CB-CE2 3.91Å; C212-Y241 WeakPolarHBondContact CB-OH 3.39Å; C212-Y241 PolarHBondContact SG-OH 3.48Å
213	K	31.6	Very low	40.1	Very low	197 Å²	197	86.3 Å²	86.3	86%	0.857	46%	0.461	S	S	*	.			trans	-67	34.3	169	-73.1	-175.8	175.7	179	0	110.4	S211 S215	S211-K213 PolarHBondContact O-N 3.23Å; K213-S215 PolarHBondContact O-N 3.48Å
214	A	39.6	Very low	41.2	Very low	25 Å²	25	80.8 Å²	80.8	21%	0.207	43%	0.433	C	S	.	.			trans	-73	110.7	166.2	0	0	0	0	0	104.7	C212 V216 Y241	C212-A214 PolarHBondContact O-N 2.89Å; A214-V216 HydrophobicContact CB-CG2 3.33Å; A214-V216 WeakPolarHBondContact O-CG2 3.09Å; A214-V216 PolarHBondContact O-N 2.7Å; A214-Y241 HydrophobicContact CB-CD2 4.46Å; A214-Y241 HydrophobicContact CB-CG 4.38Å
215	S	43.5	Very low	42.3	Very low	108 Å²	108	78.9 Å²	78.9	76%	0.755	42%	0.419	S	S	*	.			trans	-70.3	62.5	169.6	53.9	0	0	0	0	108.6	K213 P217	K213-S215 PolarHBondContact O-N 3.48Å; S215-P217 WeakPolarHBondContact O-CD 3.11Å
216	V	49.7	Very low	43.4	Very low	6 Å²	6	73.7 Å²	73.7	4%	0.036	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-75.3	125.7	-173.8	-164.4	0	0	0	0	108.9	A214 E220 Y241 Y264 K271	A214-V216 HydrophobicContact CB-CG2 3.33Å; A214-V216 WeakPolarHBondContact O-CG2 3.09Å; A214-V216 PolarHBondContact O-N 2.7Å; V216-E220 HydrophobicContact CG1-CB 3.41Å; V216-E220 VanDerWaalsContact CG1-CB 3.41Å; V216-E220 HydrophobicContact CG1-CG 4.07Å; V216-E220 WeakPolarHBondContact CG1-OE2 3.25Å; V216-Y241 HydrophobicContact CG2-CD1 4.1Å; V216-Y264 HydrophobicContact CB-CD2 3.91Å; V216-Y264 HydrophobicContact CB-CE2 3.78Å; V216-Y264 HydrophobicContact CB-CG 4.33Å; V216-Y264 HydrophobicContact CG1-CD2 3.66Å; V216-Y264 HydrophobicContact CG1-CE2 3.8Å; V216-Y264 HydrophobicContact CG1-CG 4.36Å; V216-Y264 HydrophobicContact CG2-CD2 4.35Å; V216-Y264 HydrophobicContact CG2-CE2 3.71Å; V216-K271 WeakPolarHBondContact O-CD 3.25Å; V216-K271 WeakPolarHBondContact O-CE 3.21Å; V216-K271 PolarHBondContact O-NZ 3.28Å
217	P	50	Low	44.5	Very low	65 Å²	65	67.1 Å²	67.1	42%	0.422	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-51.2	155.2	169.6	-24.8	31.7	0	0	0	113.3	S215 E220	S215-P217 WeakPolarHBondContact O-CD 3.11Å; P217-E220 HydrophobicContact CB-CG 4.31Å; P217-E220 WeakPolarHBondContact CD-OE1 3.36Å; P217-E220 HydrophobicContact CG-CG 4.44Å; P217-E220 VanDerWaalsContact CG-OE1 3.25Å; P217-E220 WeakPolarHBondContact CG-OE1 3.39Å
218	A	54.7	Low	45.6	Very low	55 Å²	55	63.4 Å²	63.4	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	139.8	171.1	0	0	0	0	0	109.7	Y264 N266	A218-Y264 CarbonylContact C-O 3.52Å; A218-Y264 WeakPolarHBondContact CA-O 3.45Å; A218-N266 HydrophobicContact CB-CB 3.94Å
219	G	53.5	Low	47	Very low	45 Å²	45	54.4 Å²	54.4	46%	0.464	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-11.2	-174.4	0	0	0	0	0	114.5	Y264	G219-Y264 PolarHBondContact N-O 3.25Å
220	E	57.2	Low	48.1	Very low	70 Å²	70	51.4 Å²	51.4	33%	0.327	30%	0.299	S	S	.	.			trans	-75.1	148	174	-81.3	-167.1	-158.4	0	0	112.2	V216 P217 Y264	V216-E220 HydrophobicContact CG1-CB 3.41Å; V216-E220 VanDerWaalsContact CG1-CB 3.41Å; V216-E220 HydrophobicContact CG1-CG 4.07Å; V216-E220 WeakPolarHBondContact CG1-OE2 3.25Å; P217-E220 HydrophobicContact CB-CG 4.31Å; P217-E220 WeakPolarHBondContact CD-OE1 3.36Å; P217-E220 HydrophobicContact CG-CG 4.44Å; P217-E220 VanDerWaalsContact CG-OE1 3.25Å; P217-E220 WeakPolarHBondContact CG-OE1 3.39Å; E220-Y264 PolarHBondContact O-N 2.74Å
221	L	49.4	Very low	49.1	Very low	15 Å²	15	58.5 Å²	58.5	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.6	-179.1	-58.2	173.3	0	0	0	110.7	G242 C243 E245 L261 Y262 E263	L221-G242 PolarHBondContact O-N 3.33Å; L221-G242 VanDerWaalsContact O-N 3.15Å; L221-C243 WeakPolarHBondContact CB-O 3.23Å; L221-C243 PolarHBondContact O-N 3.5Å; L221-E245 HydrophobicContact CD1-CB 4.46Å; L221-E245 HydrophobicContact CD1-CG 3.53Å; L221-L261 HydrophobicContact CB-CD1 3.85Å; L221-L261 HydrophobicContact CD1-CD1 4.38Å; L221-L261 HydrophobicContact CD2-CD1 4.19Å; L221-L261 HydrophobicContact CD2-CG 4.44Å; L221-L261 HydrophobicContact CG-CD1 4.36Å; L221-Y262 CarbonylContact C-O 3.49Å; L221-Y262 WeakPolarHBondContact CA-O 3.48Å; L221-E263 HydrophobicContact CD2-CB 3.94Å; L221-E263 HydrophobicContact CD2-CG 4.07Å
222	A	50.4	Low	50.1	Low	1 Å²	1	58.7 Å²	58.7	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.2	170.2	0	0	0	0	0	109.3	R240 Y241 Y262 Y264 L273	A222-R240 CarbonylContact C-O 3.58Å; A222-R240 VanDerWaalsContact CA-O 3.23Å; A222-R240 WeakPolarHBondContact CA-O 3.28Å; A222-Y241 HydrophobicContact CB-CD1 3.72Å; A222-Y241 HydrophobicContact CB-CE1 3.94Å; A222-Y262 PolarHBondContact N-O 2.79Å; A222-Y262 PolarHBondContact O-N 3.32Å; A222-Y264 HydrophobicContact CB-CE2 3.95Å; A222-L273 HydrophobicContact CB-CD2 4.24Å
223	F	55.2	Low	50.8	Low	23 Å²	23	63.1 Å²	63.1	10%	0.101	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.8	171.8	-76.2	-93.9	0	0	0	109	V239 R240 C243 V247 I249 L261	F223-V239 CarbonylContact O-C 3.52Å; F223-V239 VanDerWaalsContact O-CA 3.3Å; F223-V239 WeakPolarHBondContact O-CA 3.37Å; F223-R240 PolarHBondContact N-O 2.93Å; F223-R240 PolarHBondContact O-N 2.92Å; F223-C243 HydrophobicContact CD2-CB 3.27Å; F223-C243 HydrophobicContact CE2-CB 3.41Å; F223-C243 VanDerWaalsContact CE2-CB 3.41Å; F223-V247 HydrophobicContact CE2-CB 4.18Å; F223-V247 HydrophobicContact CZ-CB 4.5Å; F223-I249 HydrophobicContact CB-CD1 4.18Å; F223-I249 HydrophobicContact CD1-CD1 3.58Å; F223-I249 HydrophobicContact CE1-CD1 4.16Å; F223-I249 HydrophobicContact CG-CD1 4.01Å; F223-L261 HydrophobicContact CD1-CB 4.28Å; F223-L261 HydrophobicContact CD1-CD1 3.87Å; F223-L261 HydrophobicContact CD2-CD1 3.69Å; F223-L261 HydrophobicContact CE1-CB 4.03Å; F223-L261 HydrophobicContact CE1-CD1 3.61Å; F223-L261 HydrophobicContact CE1-CD2 4.29Å; F223-L261 HydrophobicContact CE1-CG 4.18Å; F223-L261 HydrophobicContact CE2-CD1 3.42Å; F223-L261 VanDerWaalsContact CE2-CD1 3.42Å; F223-L261 HydrophobicContact CG-CD1 3.93Å; F223-L261 HydrophobicContact CZ-CD1 3.4Å; F223-L261 VanDerWaalsContact CZ-CD1 3.4Å; F223-L261 HydrophobicContact CZ-CD2 4.09Å; F223-L261 HydrophobicContact CZ-CG 4.2Å
224	C	50.7	Low	51.4	Low	13 Å²	13	57.7 Å²	57.7	9%	0.088	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.6	166.2	-175.7	0	0	0	0	107.4	T237 R238 V239 V260 Y262	C224-T237 WeakPolarHBondContact SG-CG2 3.5Å; C224-R238 CarbonylContact C-O 3.59Å; C224-R238 WeakPolarHBondContact CA-O 3.26Å; C224-V239 HydrophobicContact CB-CG2 4.19Å; C224-V260 PolarHBondContact N-O 2.89Å; C224-V260 PolarHBondContact O-N 3.13Å; C224-Y262 HydrophobicContact CB-CD2 3.92Å; C224-Y262 HydrophobicContact CB-CE2 3.59Å
225	Y	57.1	Low	51.8	Low	5 Å²	5	57.6 Å²	57.6	2%	0.02	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.9	170.6	70.2	-86.4	0	0	0	111.4	E227 T237 R238 I249 T257 Q258 L259	Y225-E227 HydrophobicContact CD2-CG 4.04Å; Y225-E227 HydrophobicContact CE2-CG 4.14Å; Y225-T237 CarbonylContact O-C 3.47Å; Y225-T237 WeakPolarHBondContact O-CA 3.46Å; Y225-R238 HydrophobicContact CD1-CB 3.93Å; Y225-R238 HydrophobicContact CE1-CB 3.46Å; Y225-R238 VanDerWaalsContact CE1-CB 3.46Å; Y225-R238 HydrophobicContact CE1-CG 4.41Å; Y225-R238 HydrophobicContact CE2-CB 4.1Å; Y225-R238 HydrophobicContact CE2-CG 4.39Å; Y225-R238 HydrophobicContact CG-CB 4.45Å; Y225-R238 PolarHBondContact N-O 3.39Å; Y225-R238 PolarHBondContact O-N 3.1Å; Y225-R238 WeakPolarHBondContact OH-CD 3.47Å; Y225-R238 PolarHBondContact OH-NH1 2.92Å; Y225-I249 HydrophobicContact CD1-CG2 4.41Å; Y225-I249 HydrophobicContact CE1-CG2 4.44Å; Y225-T257 HydrophobicContact CD2-CG2 4.24Å; Y225-Q258 CarbonylContact C-O 3.57Å; Y225-Q258 WeakPolarHBondContact CA-O 3.49Å; Y225-L259 VanDerWaalsContact CB-CD2 3.44Å; Y225-L259 HydrophobicContact CG-CD2 4.2Å
226	K	54.6	Low	52.1	Low	74 Å²	74	53.2 Å²	53.2	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.2	178.9	-63.2	-175.6	178.6	179.4	0	108.1	Y228 I235 S236 T237 T257 Q258	K226-Y228 HydrophobicContact CB-CD2 4.38Å; K226-Y228 HydrophobicContact CB-CE2 3.66Å; K226-I235 HydrophobicContact CB-CG2 3.96Å; K226-I235 HydrophobicContact CD-CG2 4.38Å; K226-I235 HydrophobicContact CG-CG2 4.35Å; K226-S236 CarbonylContact C-O 3.56Å; K226-S236 WeakPolarHBondContact CA-O 3.46Å; K226-T237 HydrophobicContact CG-CG2 4.01Å; K226-T257 CarbonylContact O-C 3.6Å; K226-T257 WeakPolarHBondContact O-CA 3.04Å; K226-Q258 HydrophobicContact CB-CB 4.31Å; K226-Q258 PolarHBondContact N-O 3.31Å; K226-Q258 PolarHBondContact O-N 3.3Å
227	E	55.5	Low	51.9	Low	9 Å²	9	53.1 Å²	53.1	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.7	170.9	-65.5	-171.9	144.1	0	0	109.1	Y225 I235 S236 T252 K255 T257	Y225-E227 HydrophobicContact CD2-CG 4.04Å; Y225-E227 HydrophobicContact CE2-CG 4.14Å; E227-I235 WeakPolarHBondContact O-CA 3.31Å; E227-S236 PolarHBondContact N-O 3.46Å; E227-S236 PolarHBondContact O-N 2.88Å; E227-S236 VanDerWaalsContact O-N 3.12Å; E227-T252 PolarHBondContact OE1-OG1 3.09Å; E227-K255 HydrophobicContact CB-CB 4.12Å; E227-K255 HydrophobicContact CB-CD 3.83Å; E227-T257 HydrophobicContact CG-CG2 4.1Å
228	Y	56.6	Low	51.9	Low	58 Å²	58	53.6 Å²	53.6	23%	0.227	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.9	174.3	-61.3	-101.3	0	0	0	107.6	K226 I235 K255 R256 Q258	K226-Y228 HydrophobicContact CB-CD2 4.38Å; K226-Y228 HydrophobicContact CB-CE2 3.66Å; Y228-I235 HydrophobicContact CD1-CD1 3.75Å; Y228-I235 HydrophobicContact CD1-CG1 3.74Å; Y228-I235 HydrophobicContact CE1-CD1 3.3Å; Y228-I235 HydrophobicContact CE1-CG1 3.82Å; Y228-I235 HydrophobicContact CE1-CG2 4.33Å; Y228-K255 CarbonylContact O-C 3.51Å; Y228-K255 VanDerWaalsContact O-CA 3.23Å; Y228-K255 WeakPolarHBondContact O-CA 3.46Å; Y228-K255 WeakPolarHBondContact O-CB 3.45Å; Y228-R256 WeakPolarHBondContact CB-O 3.4Å; Y228-R256 WeakPolarHBondContact CD2-O 3.35Å; Y228-R256 PolarHBondContact N-O 2.94Å; Y228-R256 PolarHBondContact O-N 2.97Å; Y228-Q258 HydrophobicContact CE2-CB 3.99Å; Y228-Q258 PolarHBondContact OH-OE1 3.07Å
229	S	55.7	Low	51.6	Low	16 Å²	16	51.4 Å²	51.4	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128	169.9	-177.5	0	0	0	0	108.4	K231 E232	S229-K231 PolarHBondContact O-N 2.78Å; S229-K231 PolarHBondContact OG-N 2.78Å; S229-E232 WeakPolarHBondContact CB-O 3.09Å; S229-E232 PolarHBondContact OG-N 3.36Å; S229-E232 VanDerWaalsContact OG-N 3.1Å
230	D	54	Low	51.4	Low	115 Å²	115	51.8 Å²	51.8	62%	0.615	24%	0.24	S	C	*	.	S	Bend	trans	-70	-24.7	172.2	-71.3	-21	0	0	0	110.7	R256	D230-R256 IonicContact OD1-CZ 3.72Å; D230-R256 IonicContact OD1-NE 2.74Å; D230-R256 IonicContact OD2-CZ 2.7Å; D230-R256 IonicContact OD2-NE 3.93Å; D230-R256 IonicContact OD2-NH2 3.89Å
231	K	52.2	Low	51	Low	201 Å²	201	49.2 Å²	49.2	87%	0.874	23%	0.227	S	C	*	.	S	Bend	trans	-86.1	-34.7	-178.9	-65.4	-173.8	178.6	-176.5	0	113.5	S229	S229-K231 PolarHBondContact O-N 2.78Å; S229-K231 PolarHBondContact OG-N 2.78Å
232	E	47.9	Very low	50.8	Low	101 Å²	101	49.3 Å²	49.3	47%	0.472	23%	0.232	S	C	.	.	S	Bend	trans	-112.4	119.7	-177.7	-59.2	173.2	158.9	0	0	105.8	S229 H234 K255	S229-E232 WeakPolarHBondContact CB-O 3.09Å; S229-E232 PolarHBondContact OG-N 3.36Å; S229-E232 VanDerWaalsContact OG-N 3.1Å; E232-H234 HydrophobicContact CB-CB 4.25Å; E232-H234 PolarHBondContact O-N 2.9Å; E232-K255 IonicContact OE2-NZ 2.85Å
233	Q	48.5	Very low	50.8	Low	124 Å²	124	49.7 Å²	49.7	58%	0.579	24%	0.235	S	C	*	.	S	Bend	trans	-65.3	27	174.2	-63.2	-179.6	-13.2	0	0	113	C199	C199-Q233 CarbonylContact C-O 3.5Å; C199-Q233 WeakPolarHBondContact CB-O 3.35Å; C199-Q233 PolarHBondContact N-O 3.49Å; C199-Q233 VanDerWaalsContact N-O 3.16Å; C199-Q233 WeakPolarHBondContact O-CB 3.29Å
234	H	43.4	Very low	50.4	Low	82 Å²	82	51.7 Å²	51.7	38%	0.38	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.4	-178.9	-69.2	-96.6	0	0	0	110	W197 H198 E232	W197-H234 WeakPolarHBondContact O-CA 3.34Å; H198-H234 AromaticContact CE1-CE1 3.49Å; H198-H234 PolarHBondContact CE1-CE1 3.06Å; H198-H234 VanDerWaalsContact CE1-CE1 3.49Å; H198-H234 AromaticContact CE1-NE2 3.39Å; H198-H234 PolarHBondContact CE1-NE2 3.28Å; H198-H234 AromaticContact CG-CE1 3.59Å; H198-H234 AromaticContact CG-ND1 3.9Å; H198-H234 AromaticContact ND1-CD2 3.73Å; H198-H234 AromaticContact ND1-CE1 2.81Å; H198-H234 PolarHBondContact ND1-CE1 3.09Å; H198-H234 AromaticContact ND1-CG 3.82Å; H198-H234 AromaticContact ND1-ND1 3.24Å; H198-H234 PolarHBondContact ND1-ND1 2.89Å; H198-H234 AromaticContact ND1-NE2 3.08Å; H198-H234 PolarHBondContact ND1-NE2 3.32Å; E232-H234 HydrophobicContact CB-CB 4.25Å; E232-H234 PolarHBondContact O-N 2.9Å
235	I	47.3	Very low	50.3	Low	23 Å²	23	57 Å²	57	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.9	169.7	-57.4	177.2	0	0	0	106.9	W197 C199 C204 K226 E227 Y228	W197-I235 WeakPolarHBondContact CA-O 3.34Å; W197-I235 HydrophobicContact CB-CB 4.43Å; W197-I235 VanDerWaalsContact CB-O 3.29Å; W197-I235 WeakPolarHBondContact CB-O 3.23Å; W197-I235 PolarHBondContact N-O 2.98Å; W197-I235 PolarHBondContact O-N 2.98Å; C199-I235 WeakPolarHBondContact SG-CD1 3.42Å; C204-I235 WeakPolarHBondContact SG-CD1 3.45Å; K226-I235 HydrophobicContact CB-CG2 3.96Å; K226-I235 HydrophobicContact CD-CG2 4.38Å; K226-I235 HydrophobicContact CG-CG2 4.35Å; E227-I235 WeakPolarHBondContact O-CA 3.31Å; Y228-I235 HydrophobicContact CD1-CD1 3.75Å; Y228-I235 HydrophobicContact CD1-CG1 3.74Å; Y228-I235 HydrophobicContact CE1-CD1 3.3Å; Y228-I235 HydrophobicContact CE1-CG1 3.82Å; Y228-I235 HydrophobicContact CE1-CG2 4.33Å
236	S	49.8	Very low	49.7	Very low	16 Å²	16	63.8 Å²	63.8	11%	0.112	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.4	169.2	-166.5	0	0	0	0	108.1	K226 E227	K226-S236 CarbonylContact C-O 3.56Å; K226-S236 WeakPolarHBondContact CA-O 3.46Å; E227-S236 PolarHBondContact N-O 3.46Å; E227-S236 PolarHBondContact O-N 2.88Å; E227-S236 VanDerWaalsContact O-N 3.12Å
237	T	46.7	Very low	49.2	Very low	4 Å²	4	61.4 Å²	61.4	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.1	173	-56.1	0	0	0	0	108.8	C195 W197 M210 C224 Y225 K226	C195-T237 CarbonylContact C-O 3.54Å; C195-T237 VanDerWaalsContact C-O 3.3Å; C195-T237 WeakPolarHBondContact CA-O 3.29Å; C195-T237 PolarHBondContact N-O 3.23Å; C195-T237 CarbonylContact O-C 3.53Å; C195-T237 WeakPolarHBondContact O-CA 3.42Å; C195-T237 WeakPolarHBondContact O-CB 3.48Å; C195-T237 PolarHBondContact O-N 2.87Å; W197-T237 VanDerWaalsContact CD1-OG1 3.3Å; W197-T237 PolarHBondContact NE1-OG1 2.82Å; M210-T237 HydrophobicContact CE-CG2 3.88Å; C224-T237 WeakPolarHBondContact SG-CG2 3.5Å; Y225-T237 CarbonylContact O-C 3.47Å; Y225-T237 WeakPolarHBondContact O-CA 3.46Å; K226-T237 HydrophobicContact CG-CG2 4.01Å
238	R	50.6	Low	48.7	Very low	76 Å²	76	66.5 Å²	66.5	29%	0.287	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.8	176.3	-68.5	177.6	-179.4	-168.2	9.3	109.1	I194 C224 Y225	I194-R238 HydrophobicContact CB-CG 4.33Å; I194-R238 HydrophobicContact CG1-CG 4.09Å; I194-R238 HydrophobicContact CG2-CG 4.02Å; C224-R238 CarbonylContact C-O 3.59Å; C224-R238 WeakPolarHBondContact CA-O 3.26Å; Y225-R238 HydrophobicContact CD1-CB 3.93Å; Y225-R238 HydrophobicContact CE1-CB 3.46Å; Y225-R238 VanDerWaalsContact CE1-CB 3.46Å; Y225-R238 HydrophobicContact CE1-CG 4.41Å; Y225-R238 HydrophobicContact CE2-CB 4.1Å; Y225-R238 HydrophobicContact CE2-CG 4.39Å; Y225-R238 HydrophobicContact CG-CB 4.45Å; Y225-R238 PolarHBondContact N-O 3.39Å; Y225-R238 PolarHBondContact O-N 3.1Å; Y225-R238 WeakPolarHBondContact OH-CD 3.47Å; Y225-R238 PolarHBondContact OH-NH1 2.92Å
239	V	47.1	Very low	48.3	Very low	8 Å²	8	65 Å²	65	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.6	177.1	-168.2	0	0	0	0	109.2	C193 M210 F223 C224 Y241	C193-V239 PolarHBondContact N-O 3.45Å; C193-V239 PolarHBondContact O-N 3.04Å; M210-V239 HydrophobicContact CE-CG2 4.01Å; M210-V239 HydrophobicContact SD-CG2 3.69Å; F223-V239 CarbonylContact O-C 3.52Å; F223-V239 VanDerWaalsContact O-CA 3.3Å; F223-V239 WeakPolarHBondContact O-CA 3.37Å; C224-V239 HydrophobicContact CB-CG2 4.19Å; V239-Y241 HydrophobicContact CB-CE2 4.22Å; V239-Y241 HydrophobicContact CG1-CD1 4.44Å; V239-Y241 HydrophobicContact CG1-CE1 3.73Å; V239-Y241 HydrophobicContact CG1-CE2 3.86Å; V239-Y241 WeakPolarHBondContact CG1-OH 3.12Å
240	R	49.6	Very low	47.9	Very low	54 Å²	54	68.4 Å²	68.4	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	173.9	-68.4	-177.3	175.3	-165.6	-10.1	109	E192 A222 F223	E192-R240 HydrophobicContact CB-CG 4.42Å; E192-R240 VanDerWaalsContact CD-NE 3.34Å; E192-R240 HydrophobicContact CG-CG 3.99Å; E192-R240 IonicContact OE1-CZ 3.83Å; E192-R240 IonicContact OE1-NE 3.67Å; E192-R240 PolarHBondContact OE1-NE 2.99Å; E192-R240 IonicContact OE1-NH2 3.23Å; E192-R240 PolarHBondContact OE1-NH2 2.95Å; E192-R240 IonicContact OE2-CZ 2.7Å; E192-R240 IonicContact OE2-NE 2.99Å; E192-R240 IonicContact OE2-NH2 3.38Å; E192-R240 PolarHBondContact OE2-NH2 3.12Å; A222-R240 CarbonylContact C-O 3.58Å; A222-R240 VanDerWaalsContact CA-O 3.23Å; A222-R240 WeakPolarHBondContact CA-O 3.28Å; F223-R240 PolarHBondContact N-O 2.93Å; F223-R240 PolarHBondContact O-N 2.92Å
241	Y	48	Very low	47.6	Very low	15 Å²	15	64.5 Å²	64.5	6%	0.059	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	156.2	-179.2	-61	-76.5	0	0	0	110.9	K191 C212 A214 V216 A222 V239 C243 Y264	K191-Y241 PolarHBondContact O-N 2.84Å; C212-Y241 HydrophobicContact CB-CE1 4.47Å; C212-Y241 HydrophobicContact CB-CE2 3.91Å; C212-Y241 WeakPolarHBondContact CB-OH 3.39Å; C212-Y241 PolarHBondContact SG-OH 3.48Å; A214-Y241 HydrophobicContact CB-CD2 4.46Å; A214-Y241 HydrophobicContact CB-CG 4.38Å; V216-Y241 HydrophobicContact CG2-CD1 4.1Å; A222-Y241 HydrophobicContact CB-CD1 3.72Å; A222-Y241 HydrophobicContact CB-CE1 3.94Å; V239-Y241 HydrophobicContact CB-CE2 4.22Å; V239-Y241 HydrophobicContact CG1-CD1 4.44Å; V239-Y241 HydrophobicContact CG1-CE1 3.73Å; V239-Y241 HydrophobicContact CG1-CE2 3.86Å; V239-Y241 WeakPolarHBondContact CG1-OH 3.12Å; Y241-C243 VanDerWaalsContact C-N 3.34Å; Y241-Y264 AromaticContact CD1-CE2 3.96Å; Y241-Y264 HydrophobicContact CD1-CE2 3.96Å; Y241-Y264 HydrophobicContact CE1-CE2 4.11Å; Y241-Y264 WeakPolarHBondContact CE1-OH 3.4Å
242	G	46.7	Very low	47.4	Very low	18 Å²	18	57.7 Å²	57.7	19%	0.186	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.8	29.9	175.2	0	0	0	0	0	113.1	L221	L221-G242 PolarHBondContact O-N 3.33Å; L221-G242 VanDerWaalsContact O-N 3.15Å
243	C	48.9	Very low	47.6	Very low	9 Å²	9	59 Å²	59	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	145.4	-176	-62.7	0	0	0	0	111.5	C189 L221 F223 Y241 V247	C189-C243 VanDerWaalsContact SG-SG 3.6Å; L221-C243 WeakPolarHBondContact CB-O 3.23Å; L221-C243 PolarHBondContact O-N 3.5Å; F223-C243 HydrophobicContact CD2-CB 3.27Å; F223-C243 HydrophobicContact CE2-CB 3.41Å; F223-C243 VanDerWaalsContact CE2-CB 3.41Å; Y241-C243 VanDerWaalsContact C-N 3.34Å; C243-V247 HydrophobicContact CB-CB 4.49Å; C243-V247 HydrophobicContact CB-CG2 3.73Å
244	S	48	Very low	47.6	Very low	64 Å²	64	57.4 Å²	57.4	45%	0.448	31%	0.313	S	S	.	.			trans	-78.3	165.2	165.4	62.7	0	0	0	0	110.7	N246 V247	S244-N246 PolarHBondContact O-N 2.69Å; S244-V247 WeakPolarHBondContact O-CG2 3.34Å; S244-V247 PolarHBondContact O-N 3Å
245	E	47.3	Very low	48.2	Very low	125 Å²	125	55.6 Å²	55.6	58%	0.584	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22	177.6	-71.4	-168.1	148.4	0	0	113	L221 K276	L221-E245 HydrophobicContact CD1-CB 4.46Å; L221-E245 HydrophobicContact CD1-CG 3.53Å; E245-K276 IonicContact OE1-NZ 3.52Å; E245-K276 PolarHBondContact OE1-NZ 3.01Å
246	N	44.6	Very low	48.7	Very low	148 Å²	148	57.8 Å²	57.8	79%	0.791	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	29	-174.3	-62.6	-23.5	0	0	0	113.2	S244 V248	S244-N246 PolarHBondContact O-N 2.69Å; N246-V248 PolarHBondContact O-N 3.15Å
247	V	45	Very low	49.2	Very low	24 Å²	24	57.1 Å²	57.1	15%	0.145	31%	0.306	C	S	.	.			trans	-71.7	125.8	178.5	169.3	0	0	0	0	111.1	F223 C243 S244 I249	F223-V247 HydrophobicContact CE2-CB 4.18Å; F223-V247 HydrophobicContact CZ-CB 4.5Å; C243-V247 HydrophobicContact CB-CB 4.49Å; C243-V247 HydrophobicContact CB-CG2 3.73Å; S244-V247 WeakPolarHBondContact O-CG2 3.34Å; S244-V247 PolarHBondContact O-N 3Å; V247-I249 HydrophobicContact CG1-CG1 4.08Å
248	V	45.2	Very low	49.7	Very low	116 Å²	116	58.1 Å²	58.1	70%	0.703	31%	0.31	S	S	*	.			trans	-81.1	124.4	171.2	-178.1	0	0	0	0	109.1	N246	N246-V248 PolarHBondContact O-N 3.15Å
249	I	48.5	Very low	50	Low	27 Å²	27	55.4 Å²	55.4	14%	0.138	30%	0.301	C	S	.	.			trans	-110.6	113.6	177.8	-58.2	174.9	0	0	0	108.4	F223 Y225 V247 L251 L259	F223-I249 HydrophobicContact CB-CD1 4.18Å; F223-I249 HydrophobicContact CD1-CD1 3.58Å; F223-I249 HydrophobicContact CE1-CD1 4.16Å; F223-I249 HydrophobicContact CG-CD1 4.01Å; Y225-I249 HydrophobicContact CD1-CG2 4.41Å; Y225-I249 HydrophobicContact CE1-CG2 4.44Å; V247-I249 HydrophobicContact CG1-CG1 4.08Å; I249-L251 PolarHBondContact O-N 3.38Å; I249-L259 HydrophobicContact CB-CD2 4.13Å; I249-L259 HydrophobicContact CD1-CD2 3.47Å; I249-L259 VanDerWaalsContact CD1-CD2 3.47Å; I249-L259 HydrophobicContact CG1-CD2 4.37Å; I249-L259 HydrophobicContact CG2-CD2 3.76Å
250	P	45.9	Very low	50.2	Low	87 Å²	87	55.4 Å²	55.4	57%	0.565	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-70.4	125.4	179	27.5	-32.2	0	0	0	110.3
251	L	47.6	Very low	50.5	Low	33 Å²	33	53.6 Å²	53.6	17%	0.173	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-93.8	129	176.7	-62.5	178.3	0	0	0	111.2	I249 T257 L259 C281 R284	I249-L251 PolarHBondContact O-N 3.38Å; L251-T257 HydrophobicContact CD2-CG2 3.65Å; L251-L259 HydrophobicContact CD2-CD1 4.39Å; L251-C281 HydrophobicContact CD1-CB 3.82Å; L251-R284 HydrophobicContact CB-CG 4.48Å; L251-R284 PolarHBondContact O-NE 3.16Å; L251-R284 PolarHBondContact O-NH2 2.68Å
252	T	49.3	Very low	50.9	Low	58 Å²	58	56.3 Å²	56.3	36%	0.356	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-74	148.5	175.4	57.9	0	0	0	0	111.1	E227 S254	E227-T252 PolarHBondContact OE1-OG1 3.09Å; T252-S254 PolarHBondContact O-N 3.44Å
253	K	50.6	Low	51.3	Low	129 Å²	129	58.1 Å²	58.1	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.1	-160.4	-139.4	166	-159.6	-172.2	0	115.6	L147 R284	L147-K253 HydrophobicContact CD1-CD 4.39Å; L147-K253 HydrophobicContact CD2-CD 3.92Å; K253-R284 VanDerWaalsContact CA-NE 3.28Å; K253-R284 VanDerWaalsContact CB-CZ 3.5Å; K253-R284 VanDerWaalsContact CE-NH1 3.31Å
254	S	49.9	Very low	51.8	Low	89 Å²	89	58.7 Å²	58.7	62%	0.622	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.2	17.2	-163.8	65.4	0	0	0	0	114.3	T252	T252-S254 PolarHBondContact O-N 3.44Å
255	K	55.4	Low	52.1	Low	44 Å²	44	58.9 Å²	58.9	19%	0.191	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.7	-175.3	-61.6	-168.3	-177.7	-173.1	0	110.3	E227 Y228 E232 T257	E227-K255 HydrophobicContact CB-CB 4.12Å; E227-K255 HydrophobicContact CB-CD 3.83Å; Y228-K255 CarbonylContact O-C 3.51Å; Y228-K255 VanDerWaalsContact O-CA 3.23Å; Y228-K255 WeakPolarHBondContact O-CA 3.46Å; Y228-K255 WeakPolarHBondContact O-CB 3.45Å; E232-K255 IonicContact OE2-NZ 2.85Å; K255-T257 PolarHBondContact O-N 2.84Å; K255-T257 PolarHBondContact O-OG1 2.95Å; K255-T257 VanDerWaalsContact O-OG1 3.07Å
256	R	58.7	Low	52.5	Low	70 Å²	70	57.1 Å²	57.1	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	124.6	167.3	-60.9	175.8	-171.3	-169.1	1.2	106.3	Y228 D230 C281	Y228-R256 WeakPolarHBondContact CB-O 3.4Å; Y228-R256 WeakPolarHBondContact CD2-O 3.35Å; Y228-R256 PolarHBondContact N-O 2.94Å; Y228-R256 PolarHBondContact O-N 2.97Å; D230-R256 IonicContact OD1-CZ 3.72Å; D230-R256 IonicContact OD1-NE 2.74Å; D230-R256 IonicContact OD2-CZ 2.7Å; D230-R256 IonicContact OD2-NE 3.93Å; D230-R256 IonicContact OD2-NH2 3.89Å; R256-C281 CarbonylContact C-O 3.49Å; R256-C281 VanDerWaalsContact CA-O 3.31Å; R256-C281 WeakPolarHBondContact CA-O 3.31Å
257	T	58.8	Low	52.7	Low	2 Å²	2	52.2 Å²	52.2	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.1	-173.2	-54.8	0	0	0	0	109.7	Y225 K226 E227 L251 K255 L259 C281	Y225-T257 HydrophobicContact CD2-CG2 4.24Å; K226-T257 CarbonylContact O-C 3.6Å; K226-T257 WeakPolarHBondContact O-CA 3.04Å; E227-T257 HydrophobicContact CG-CG2 4.1Å; L251-T257 HydrophobicContact CD2-CG2 3.65Å; K255-T257 PolarHBondContact O-N 2.84Å; K255-T257 PolarHBondContact O-OG1 2.95Å; K255-T257 VanDerWaalsContact O-OG1 3.07Å; T257-L259 HydrophobicContact CG2-CD2 4.43Å; T257-L259 HydrophobicContact CG2-CG 4.23Å; T257-C281 PolarHBondContact N-O 3.32Å; T257-C281 PolarHBondContact O-N 2.94Å
258	Q	57.8	Low	53	Low	24 Å²	24	57.1 Å²	57.1	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.4	169.9	-179.4	-176.4	8.2	0	0	108.5	Y225 K226 Y228 V260 F280	Y225-Q258 CarbonylContact C-O 3.57Å; Y225-Q258 WeakPolarHBondContact CA-O 3.49Å; K226-Q258 HydrophobicContact CB-CB 4.31Å; K226-Q258 PolarHBondContact N-O 3.31Å; K226-Q258 PolarHBondContact O-N 3.3Å; Y228-Q258 HydrophobicContact CE2-CB 3.99Å; Y228-Q258 PolarHBondContact OH-OE1 3.07Å; Q258-V260 HydrophobicContact CG-CG2 4.02Å; Q258-F280 HydrophobicContact CB-CD1 3.61Å; Q258-F280 HydrophobicContact CB-CE1 3.42Å; Q258-F280 VanDerWaalsContact CB-CE1 3.42Å; Q258-F280 HydrophobicContact CB-CZ 4.35Å; Q258-F280 VanDerWaalsContact CD-CZ 3.47Å; Q258-F280 HydrophobicContact CG-CD1 3.71Å; Q258-F280 HydrophobicContact CG-CE1 3.22Å; Q258-F280 HydrophobicContact CG-CE2 4.44Å; Q258-F280 HydrophobicContact CG-CG 4.5Å; Q258-F280 HydrophobicContact CG-CZ 3.66Å
259	L	56.7	Low	53.3	Low	19 Å²	19	55 Å²	55	10%	0.099	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.7	174	-63.4	150.5	0	0	0	107.7	Y225 I249 L251 T257 Q278 I279	Y225-L259 VanDerWaalsContact CB-CD2 3.44Å; Y225-L259 HydrophobicContact CG-CD2 4.2Å; I249-L259 HydrophobicContact CB-CD2 4.13Å; I249-L259 HydrophobicContact CD1-CD2 3.47Å; I249-L259 VanDerWaalsContact CD1-CD2 3.47Å; I249-L259 HydrophobicContact CG1-CD2 4.37Å; I249-L259 HydrophobicContact CG2-CD2 3.76Å; L251-L259 HydrophobicContact CD2-CD1 4.39Å; T257-L259 HydrophobicContact CG2-CD2 4.43Å; T257-L259 HydrophobicContact CG2-CG 4.23Å; L259-Q278 CarbonylContact O-C 3.47Å; L259-Q278 WeakPolarHBondContact O-CA 3.36Å; L259-I279 HydrophobicContact CB-CB 4.2Å; L259-I279 HydrophobicContact CD1-CB 4.37Å; L259-I279 HydrophobicContact CD1-CG2 4.37Å; L259-I279 PolarHBondContact N-O 3.02Å; L259-I279 PolarHBondContact O-N 2.64Å
260	V	51.6	Low	53.5	Low	9 Å²	9	61.2 Å²	61.2	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.9	173.3	-170	0	0	0	0	108.1	C224 Q258 Y262 A275 K277 Q278	C224-V260 PolarHBondContact N-O 2.89Å; C224-V260 PolarHBondContact O-N 3.13Å; Q258-V260 HydrophobicContact CG-CG2 4.02Å; V260-Y262 HydrophobicContact CB-CD2 4.27Å; V260-Y262 HydrophobicContact CB-CE2 3.63Å; V260-Y262 HydrophobicContact CG1-CD2 3.98Å; V260-Y262 HydrophobicContact CG1-CE1 4.02Å; V260-Y262 HydrophobicContact CG1-CE2 3.43Å; V260-Y262 VanDerWaalsContact CG1-CE2 3.43Å; V260-Y262 HydrophobicContact CG1-CG 4.49Å; V260-Y262 VanDerWaalsContact CG1-CZ 3.44Å; V260-A275 HydrophobicContact CG1-CB 3.99Å; V260-K277 WeakPolarHBondContact CA-O 3.33Å; V260-Q278 HydrophobicContact CG2-CG 4.16Å
261	L	56.2	Low	53.9	Low	16 Å²	16	62.3 Å²	62.3	8%	0.084	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.5	171.5	179.1	56.6	0	0	0	108.4	L221 F223 K276 K277	L221-L261 HydrophobicContact CB-CD1 3.85Å; L221-L261 HydrophobicContact CD1-CD1 4.38Å; L221-L261 HydrophobicContact CD2-CD1 4.19Å; L221-L261 HydrophobicContact CD2-CG 4.44Å; L221-L261 HydrophobicContact CG-CD1 4.36Å; F223-L261 HydrophobicContact CD1-CB 4.28Å; F223-L261 HydrophobicContact CD1-CD1 3.87Å; F223-L261 HydrophobicContact CD2-CD1 3.69Å; F223-L261 HydrophobicContact CE1-CB 4.03Å; F223-L261 HydrophobicContact CE1-CD1 3.61Å; F223-L261 HydrophobicContact CE1-CD2 4.29Å; F223-L261 HydrophobicContact CE1-CG 4.18Å; F223-L261 HydrophobicContact CE2-CD1 3.42Å; F223-L261 VanDerWaalsContact CE2-CD1 3.42Å; F223-L261 HydrophobicContact CG-CD1 3.93Å; F223-L261 HydrophobicContact CZ-CD1 3.4Å; F223-L261 VanDerWaalsContact CZ-CD1 3.4Å; F223-L261 HydrophobicContact CZ-CD2 4.09Å; F223-L261 HydrophobicContact CZ-CG 4.2Å; L261-K276 HydrophobicContact CD2-CD 4.45Å; L261-K276 PolarHBondContact O-N 2.9Å; L261-K277 HydrophobicContact CB-CB 4.18Å; L261-K277 PolarHBondContact N-O 3.39Å; L261-K277 PolarHBondContact O-N 3.3Å
262	Y	55.3	Low	54.2	Low	71 Å²	71	63.8 Å²	63.8	28%	0.278	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148	172.5	-65	-87.1	0	0	0	110.8	L221 A222 C224 V260 L273 H274 A275	L221-Y262 CarbonylContact C-O 3.49Å; L221-Y262 WeakPolarHBondContact CA-O 3.48Å; A222-Y262 PolarHBondContact N-O 2.79Å; A222-Y262 PolarHBondContact O-N 3.32Å; C224-Y262 HydrophobicContact CB-CD2 3.92Å; C224-Y262 HydrophobicContact CB-CE2 3.59Å; V260-Y262 HydrophobicContact CB-CD2 4.27Å; V260-Y262 HydrophobicContact CB-CE2 3.63Å; V260-Y262 HydrophobicContact CG1-CD2 3.98Å; V260-Y262 HydrophobicContact CG1-CE1 4.02Å; V260-Y262 HydrophobicContact CG1-CE2 3.43Å; V260-Y262 VanDerWaalsContact CG1-CE2 3.43Å; V260-Y262 HydrophobicContact CG1-CG 4.49Å; V260-Y262 VanDerWaalsContact CG1-CZ 3.44Å; Y262-L273 HydrophobicContact CD1-CB 4.11Å; Y262-L273 HydrophobicContact CG-CB 4.49Å; Y262-L273 HydrophobicContact CG-CD2 4.28Å; Y262-H274 CarbonylContact C-O 3.57Å; Y262-H274 VanDerWaalsContact CA-O 3.26Å; Y262-H274 WeakPolarHBondContact CA-O 3.39Å; Y262-A275 HydrophobicContact CD1-CB 4.04Å; Y262-A275 HydrophobicContact CE1-CB 3.81Å
263	E	57	Low	54.6	Low	57 Å²	57	65 Å²	65	27%	0.266	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134	169.9	-175.1	177.3	171.4	0	0	108.8	L221 I265 H274	L221-E263 HydrophobicContact CD2-CB 3.94Å; L221-E263 HydrophobicContact CD2-CG 4.07Å; E263-I265 HydrophobicContact CG-CG1 4.33Å; E263-I265 PolarHBondContact O-N 2.69Å; E263-H274 PolarHBondContact N-O 3.49Å; E263-H274 PolarHBondContact O-N 2.88Å
264	Y	58.2	Low	54.9	Low	20 Å²	20	63.8 Å²	63.8	8%	0.078	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	103.8	172.3	-82	-82.7	0	0	0	110.2	V216 A218 G219 E220 A222 Y241 L273	V216-Y264 HydrophobicContact CB-CD2 3.91Å; V216-Y264 HydrophobicContact CB-CE2 3.78Å; V216-Y264 HydrophobicContact CB-CG 4.33Å; V216-Y264 HydrophobicContact CG1-CD2 3.66Å; V216-Y264 HydrophobicContact CG1-CE2 3.8Å; V216-Y264 HydrophobicContact CG1-CG 4.36Å; V216-Y264 HydrophobicContact CG2-CD2 4.35Å; V216-Y264 HydrophobicContact CG2-CE2 3.71Å; A218-Y264 CarbonylContact C-O 3.52Å; A218-Y264 WeakPolarHBondContact CA-O 3.45Å; G219-Y264 PolarHBondContact N-O 3.25Å; E220-Y264 PolarHBondContact O-N 2.74Å; A222-Y264 HydrophobicContact CB-CE2 3.95Å; Y241-Y264 AromaticContact CD1-CE2 3.96Å; Y241-Y264 HydrophobicContact CD1-CE2 3.96Å; Y241-Y264 HydrophobicContact CE1-CE2 4.11Å; Y241-Y264 WeakPolarHBondContact CE1-OH 3.4Å; Y264-L273 HydrophobicContact CD1-CD2 3.84Å; Y264-L273 HydrophobicContact CD1-CG 3.89Å; Y264-L273 HydrophobicContact CD2-CD2 3.68Å; Y264-L273 HydrophobicContact CE1-CD1 4Å; Y264-L273 HydrophobicContact CE1-CD2 3.65Å; Y264-L273 HydrophobicContact CE1-CG 3.54Å; Y264-L273 HydrophobicContact CE2-CD2 3.5Å; Y264-L273 VanDerWaalsContact CE2-CD2 3.5Å; Y264-L273 HydrophobicContact CE2-CG 4.31Å; Y264-L273 HydrophobicContact CG-CD2 3.87Å; Y264-L273 HydrophobicContact CG-CG 4.42Å; Y264-L273 VanDerWaalsContact CZ-CD2 3.48Å
265	I	55.5	Low	55.4	Low	68 Å²	68	60.9 Å²	60.9	35%	0.349	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136	175.3	-50.7	-177.3	0	0	0	108.7	E263 A267 T272 H274	E263-I265 HydrophobicContact CG-CG1 4.33Å; E263-I265 PolarHBondContact O-N 2.69Å; I265-A267 PolarHBondContact O-N 2.79Å; I265-T272 PolarHBondContact N-O 2.95Å; I265-T272 PolarHBondContact O-N 2.91Å; I265-T272 VanDerWaalsContact O-O 3.1Å; I265-T272 PolarHBondContact O-OG1 2.96Å; I265-H274 HydrophobicContact CD1-CB 3.38Å; I265-H274 HydrophobicContact CG1-CB 3.9Å
266	N	55.1	Low	55.6	Low	89 Å²	89	63.1 Å²	63.1	48%	0.476	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	85	171.4	-159.8	5.3	0	0	0	109.4	A218 K270	A218-N266 HydrophobicContact CB-CB 3.94Å; N266-K270 PolarHBondContact OD1-N 2.84Å
267	A	48	Very low	55.6	Low	44 Å²	44	64.2 Å²	64.2	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120.2	177.1	0	0	0	0	0	109.7	I265 G269 K270	I265-A267 PolarHBondContact O-N 2.79Å; A267-G269 VanDerWaalsContact C-N 3.28Å; A267-G269 PolarHBondContact O-N 2.9Å; A267-K270 PolarHBondContact N-O 3.19Å; A267-K270 PolarHBondContact O-N 3.35Å
268	S	51.5	Low	55.5	Low	128 Å²	128	64.6 Å²	64.6	90%	0.895	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	37	174.3	-52.7	0	0	0	0	114.4	K270	S268-K270 PolarHBondContact O-N 3.39Å
269	G	52.2	Low	55.3	Low	70 Å²	70	66.2 Å²	66.2	72%	0.722	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	3.9	-179.1	0	0	0	0	0	114.7	A267	A267-G269 VanDerWaalsContact C-N 3.28Å; A267-G269 PolarHBondContact O-N 2.9Å
270	K	52.9	Low	55.4	Low	158 Å²	158	66.5 Å²	66.5	69%	0.687	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	130	172.6	-67.9	-178.1	-179.1	175.5	0	109.1	N266 A267 S268 T272	N266-K270 PolarHBondContact OD1-N 2.84Å; A267-K270 PolarHBondContact N-O 3.19Å; A267-K270 PolarHBondContact O-N 3.35Å; S268-K270 PolarHBondContact O-N 3.39Å; K270-T272 PolarHBondContact O-N 3Å
271	K	53.6	Low	55.6	Low	111 Å²	111	66.2 Å²	66.2	48%	0.483	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114.8	170.3	-66.9	-177.1	-179.8	-179.7	0	108.8	V216	V216-K271 WeakPolarHBondContact O-CD 3.25Å; V216-K271 WeakPolarHBondContact O-CE 3.21Å; V216-K271 PolarHBondContact O-NZ 3.28Å
272	T	54.4	Low	55.5	Low	63 Å²	63	68.2 Å²	68.2	39%	0.387	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.1	176.9	51.9	0	0	0	0	109.3	I265 K270	I265-T272 PolarHBondContact N-O 2.95Å; I265-T272 PolarHBondContact O-N 2.91Å; I265-T272 VanDerWaalsContact O-O 3.1Å; I265-T272 PolarHBondContact O-OG1 2.96Å; K270-T272 PolarHBondContact O-N 3Å
273	L	56.4	Low	55.4	Low	83 Å²	83	68.3 Å²	68.3	44%	0.435	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.1	172.2	-79.7	160.1	0	0	0	109.4	A222 Y262 Y264	A222-L273 HydrophobicContact CB-CD2 4.24Å; Y262-L273 HydrophobicContact CD1-CB 4.11Å; Y262-L273 HydrophobicContact CG-CB 4.49Å; Y262-L273 HydrophobicContact CG-CD2 4.28Å; Y264-L273 HydrophobicContact CD1-CD2 3.84Å; Y264-L273 HydrophobicContact CD1-CG 3.89Å; Y264-L273 HydrophobicContact CD2-CD2 3.68Å; Y264-L273 HydrophobicContact CE1-CD1 4Å; Y264-L273 HydrophobicContact CE1-CD2 3.65Å; Y264-L273 HydrophobicContact CE1-CG 3.54Å; Y264-L273 HydrophobicContact CE2-CD2 3.5Å; Y264-L273 VanDerWaalsContact CE2-CD2 3.5Å; Y264-L273 HydrophobicContact CE2-CG 4.31Å; Y264-L273 HydrophobicContact CG-CD2 3.87Å; Y264-L273 HydrophobicContact CG-CG 4.42Å; Y264-L273 VanDerWaalsContact CZ-CD2 3.48Å
274	H	57.9	Low	55.1	Low	105 Å²	105	69.2 Å²	69.2	49%	0.486	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.2	175.2	-173.1	-87.9	0	0	0	109.9	Y262 E263 I265 K276	Y262-H274 CarbonylContact C-O 3.57Å; Y262-H274 VanDerWaalsContact CA-O 3.26Å; Y262-H274 WeakPolarHBondContact CA-O 3.39Å; E263-H274 PolarHBondContact N-O 3.49Å; E263-H274 PolarHBondContact O-N 2.88Å; I265-H274 HydrophobicContact CD1-CB 3.38Å; I265-H274 HydrophobicContact CG1-CB 3.9Å; H274-K276 PolarHBondContact O-N 3.04Å
275	A	61	Low	54.7	Low	27 Å²	27	76.4 Å²	76.4	22%	0.223	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.6	176.4	0	0	0	0	0	109.2	V260 Y262	V260-A275 HydrophobicContact CG1-CB 3.99Å; Y262-A275 HydrophobicContact CD1-CB 4.04Å; Y262-A275 HydrophobicContact CE1-CB 3.81Å
276	K	59.8	Low	54.5	Low	92 Å²	92	79.1 Å²	79.1	40%	0.4	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-42.2	179.2	-170.7	-177.7	178.2	177.6	0	111.2	E245 L261 H274	E245-K276 IonicContact OE1-NZ 3.52Å; E245-K276 PolarHBondContact OE1-NZ 3.01Å; L261-K276 HydrophobicContact CD2-CD 4.45Å; L261-K276 PolarHBondContact O-N 2.9Å; H274-K276 PolarHBondContact O-N 3.04Å
277	K	57.9	Low	54.4	Low	92 Å²	92	77.6 Å²	77.6	40%	0.4	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.6	-178.6	-66.1	-171.2	166.4	-148.8	0	111	V260 L261 E289	V260-K277 WeakPolarHBondContact CA-O 3.33Å; L261-K277 HydrophobicContact CB-CB 4.18Å; L261-K277 PolarHBondContact N-O 3.39Å; L261-K277 PolarHBondContact O-N 3.3Å; K277-E289 WeakPolarHBondContact CD-OE1 3.5Å; K277-E289 VanDerWaalsContact CE-OE1 3.25Å; K277-E289 WeakPolarHBondContact CE-OE1 3.3Å; K277-E289 WeakPolarHBondContact CG-OE1 3.37Å; K277-E289 IonicContact NZ-OE1 2.79Å; K277-E289 PolarHBondContact NZ-OE1 3.29Å; K277-E289 IonicContact NZ-OE2 3.62Å
278	Q	57.1	Low	54.4	Low	11 Å²	11	79.2 Å²	79.2	5%	0.051	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.9	175.4	176.5	170.4	1.2	0	0	108.7	L259 V260 F280 E289 V290	L259-Q278 CarbonylContact O-C 3.47Å; L259-Q278 WeakPolarHBondContact O-CA 3.36Å; V260-Q278 HydrophobicContact CG2-CG 4.16Å; Q278-F280 HydrophobicContact CG-CD2 4.36Å; Q278-F280 HydrophobicContact CG-CE2 4.04Å; Q278-E289 CarbonylContact O-C 3.55Å; Q278-E289 WeakPolarHBondContact O-CA 3.39Å; Q278-V290 HydrophobicContact CB-CB 4.31Å; Q278-V290 HydrophobicContact CG-CB 4.31Å; Q278-V290 HydrophobicContact CG-CG2 4.19Å; Q278-V290 PolarHBondContact O-N 3.38Å
279	I	54.2	Low	54.5	Low	57 Å²	57	78.2 Å²	78.2	29%	0.292	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.5	178.8	-57.8	170.1	0	0	0	107.2	L259 C287 N288 E289	L259-I279 HydrophobicContact CB-CB 4.2Å; L259-I279 HydrophobicContact CD1-CB 4.37Å; L259-I279 HydrophobicContact CD1-CG2 4.37Å; L259-I279 PolarHBondContact N-O 3.02Å; L259-I279 PolarHBondContact O-N 2.64Å; I279-C287 HydrophobicContact CG2-CB 3.91Å; I279-N288 CarbonylContact C-O 3.3Å; I279-N288 WeakPolarHBondContact CA-O 3.44Å; I279-E289 HydrophobicContact CG1-CB 4.37Å; I279-E289 HydrophobicContact CG1-CG 4.47Å
280	F	57.2	Low	54.6	Low	25 Å²	25	75.5 Å²	75.5	11%	0.11	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.9	169.3	-77.2	-79.1	0	0	0	109.6	Q258 Q278 C287 N288 V290 F300	Q258-F280 HydrophobicContact CB-CD1 3.61Å; Q258-F280 HydrophobicContact CB-CE1 3.42Å; Q258-F280 VanDerWaalsContact CB-CE1 3.42Å; Q258-F280 HydrophobicContact CB-CZ 4.35Å; Q258-F280 VanDerWaalsContact CD-CZ 3.47Å; Q258-F280 HydrophobicContact CG-CD1 3.71Å; Q258-F280 HydrophobicContact CG-CE1 3.22Å; Q258-F280 HydrophobicContact CG-CE2 4.44Å; Q258-F280 HydrophobicContact CG-CG 4.5Å; Q258-F280 HydrophobicContact CG-CZ 3.66Å; Q278-F280 HydrophobicContact CG-CD2 4.36Å; Q278-F280 HydrophobicContact CG-CE2 4.04Å; F280-C287 CarbonylContact O-C 3.53Å; F280-C287 VanDerWaalsContact O-CA 3.29Å; F280-C287 WeakPolarHBondContact O-CA 3.49Å; F280-N288 PolarHBondContact N-O 3.27Å; F280-N288 PolarHBondContact O-N 2.89Å; F280-V290 HydrophobicContact CD2-CG2 3.36Å; F280-V290 HydrophobicContact CE2-CG2 3.71Å; F280-F300 HydrophobicContact CD1-CE2 4.18Å; F280-F300 HydrophobicContact CE1-CD2 4.5Å; F280-F300 AromaticContact CE1-CE2 3.61Å; F280-F300 HydrophobicContact CE1-CE2 3.61Å; F280-F300 HydrophobicContact CE1-CZ 4.45Å; F280-F300 HydrophobicContact CZ-CD2 4.45Å; F280-F300 AromaticContact CZ-CE2 3.97Å; F280-F300 HydrophobicContact CZ-CE2 3.97Å
281	C	55.4	Low	54.4	Low	3 Å²	3	72.8 Å²	72.8	2%	0.02	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.3	172.4	-59.3	0	0	0	0	108.6	L251 R256 T257 Y286 C287	L251-C281 HydrophobicContact CD1-CB 3.82Å; R256-C281 CarbonylContact C-O 3.49Å; R256-C281 VanDerWaalsContact CA-O 3.31Å; R256-C281 WeakPolarHBondContact CA-O 3.31Å; T257-C281 PolarHBondContact N-O 3.32Å; T257-C281 PolarHBondContact O-N 2.94Å; C281-Y286 CarbonylContact C-O 3.57Å; C281-Y286 VanDerWaalsContact CA-O 3.23Å; C281-Y286 WeakPolarHBondContact CA-O 3.46Å; C281-C287 HydrophobicContact CB-CB 4.14Å; C281-C287 WeakPolarHBondContact CB-SG 3.5Å; C281-C287 WeakPolarHBondContact SG-CB 3.27Å; C281-C287 CovalentContact SG-SG 2.04Å; C281-C287 PolarHBondContact SG-SG 2.9Å
282	H	56	Low	54.1	Low	58 Å²	58	72 Å²	72	27%	0.269	37%	0.37	S	S	.	.	S	Bend	trans	-75.2	-36.1	173.3	-89.2	-73.9	0	0	0	111	Y286	H282-Y286 HydrophobicContact CB-CD1 4.28Å; H282-Y286 PolarHBondContact N-O 3.27Å
283	D	52.8	Low	53.5	Low	73 Å²	73	72.4 Å²	72.4	39%	0.39	38%	0.375	S	S	.	.	S	Bend	trans	-149.7	-164.3	175.2	59.3	30.8	0	0	0	109.7	H285 Y286	D283-H285 PolarHBondContact O-N 3.43Å; D283-H285 WeakPolarHBondContact OD1-CA 3.45Å; D283-H285 PolarHBondContact OD1-N 2.94Å; D283-Y286 PolarHBondContact OD1-N 3.41Å
284	R	51	Low	52.7	Low	76 Å²	76	72.7 Å²	72.7	29%	0.287	38%	0.383	S	S	.	.	S	Bend	trans	-70.8	-14.1	179	-70.4	-174.8	168.2	-178.1	2.3	114.5	L251 K253	L251-R284 HydrophobicContact CB-CG 4.48Å; L251-R284 PolarHBondContact O-NE 3.16Å; L251-R284 PolarHBondContact O-NH2 2.68Å; K253-R284 VanDerWaalsContact CA-NE 3.28Å; K253-R284 VanDerWaalsContact CB-CZ 3.5Å; K253-R284 VanDerWaalsContact CE-NH1 3.31Å
285	H	48.6	Very low	51.3	Low	172 Å²	172	71.8 Å²	71.8	80%	0.796	38%	0.381	S	S	*	.	S	Bend	trans	-110.9	-26.9	-170.1	-56.7	-72.8	0	0	0	111.9	D283	D283-H285 PolarHBondContact O-N 3.43Å; D283-H285 WeakPolarHBondContact OD1-CA 3.45Å; D283-H285 PolarHBondContact OD1-N 2.94Å
286	Y	51.4	Low	49.9	Very low	124 Å²	124	72.9 Å²	72.9	49%	0.486	39%	0.386	S	S	.	.			trans	-118.7	100	-173.9	-165.9	-102	0	0	0	112.2	C281 H282 D283 N288	C281-Y286 CarbonylContact C-O 3.57Å; C281-Y286 VanDerWaalsContact CA-O 3.23Å; C281-Y286 WeakPolarHBondContact CA-O 3.46Å; H282-Y286 HydrophobicContact CB-CD1 4.28Å; H282-Y286 PolarHBondContact N-O 3.27Å; D283-Y286 PolarHBondContact OD1-N 3.41Å; Y286-N288 WeakPolarHBondContact CE1-ND2 3.44Å; Y286-N288 PolarHBondContact OH-ND2 3.43Å
287	C	52.6	Low	48.5	Very low	58 Å²	58	72.6 Å²	72.6	39%	0.392	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.4	174	-64.9	0	0	0	0	110.8	I279 F280 C281	I279-C287 HydrophobicContact CG2-CB 3.91Å; F280-C287 CarbonylContact O-C 3.53Å; F280-C287 VanDerWaalsContact O-CA 3.29Å; F280-C287 WeakPolarHBondContact O-CA 3.49Å; C281-C287 HydrophobicContact CB-CB 4.14Å; C281-C287 WeakPolarHBondContact CB-SG 3.5Å; C281-C287 WeakPolarHBondContact SG-CB 3.27Å; C281-C287 CovalentContact SG-SG 2.04Å; C281-C287 PolarHBondContact SG-SG 2.9Å
288	N	49.1	Very low	46.9	Very low	77 Å²	77	70.6 Å²	70.6	41%	0.412	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.1	175.4	-72.5	-28.6	0	0	0	111.1	I279 F280 Y286	I279-N288 CarbonylContact C-O 3.3Å; I279-N288 WeakPolarHBondContact CA-O 3.44Å; F280-N288 PolarHBondContact N-O 3.27Å; F280-N288 PolarHBondContact O-N 2.89Å; Y286-N288 WeakPolarHBondContact CE1-ND2 3.44Å; Y286-N288 PolarHBondContact OH-ND2 3.43Å
289	E	52.7	Low	45.5	Very low	107 Å²	107	73.2 Å²	73.2	50%	0.5	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.8	165.5	-171.4	168.5	-174.9	0	0	109.3	K277 Q278 I279 A291	K277-E289 WeakPolarHBondContact CD-OE1 3.5Å; K277-E289 VanDerWaalsContact CE-OE1 3.25Å; K277-E289 WeakPolarHBondContact CE-OE1 3.3Å; K277-E289 WeakPolarHBondContact CG-OE1 3.37Å; K277-E289 IonicContact NZ-OE1 2.79Å; K277-E289 PolarHBondContact NZ-OE1 3.29Å; K277-E289 IonicContact NZ-OE2 3.62Å; Q278-E289 CarbonylContact O-C 3.55Å; Q278-E289 WeakPolarHBondContact O-CA 3.39Å; I279-E289 HydrophobicContact CG1-CB 4.37Å; I279-E289 HydrophobicContact CG1-CG 4.47Å; E289-A291 PolarHBondContact O-N 3.39Å
290	V	53.9	Low	44.3	Very low	14 Å²	14	74.4 Å²	74.4	9%	0.085	41%	0.409	C	S	.	.			trans	-85.7	111.5	175.3	-176.5	0	0	0	0	107.7	Q278 F280 D292 I299	Q278-V290 HydrophobicContact CB-CB 4.31Å; Q278-V290 HydrophobicContact CG-CB 4.31Å; Q278-V290 HydrophobicContact CG-CG2 4.19Å; Q278-V290 PolarHBondContact O-N 3.38Å; F280-V290 HydrophobicContact CD2-CG2 3.36Å; F280-V290 HydrophobicContact CE2-CG2 3.71Å; V290-D292 WeakPolarHBondContact CG1-O 3.48Å; V290-D292 PolarHBondContact O-N 2.92Å; V290-I299 HydrophobicContact CB-CD1 4.46Å; V290-I299 HydrophobicContact CG1-CD1 3.74Å; V290-I299 HydrophobicContact CG2-CD1 4.02Å
291	A	49.4	Very low	42.9	Very low	100 Å²	100	81.4 Å²	81.4	83%	0.826	44%	0.439	S	S	*	.	S	Bend	trans	-58.6	-20.4	-176	0	0	0	0	0	114.2	E289	E289-A291 PolarHBondContact O-N 3.39Å
292	D	47.2	Very low	41.5	Very low	96 Å²	96	90 Å²	90	51%	0.513	47%	0.471	S	S	.	.			trans	-144.2	120.1	179.9	-97.4	-44.4	0	0	0	111.4	V290 S294 M295	V290-D292 WeakPolarHBondContact CG1-O 3.48Å; V290-D292 PolarHBondContact O-N 2.92Å; D292-S294 PolarHBondContact O-N 2.98Å; D292-M295 HydrophobicContact CB-CG 4.24Å; D292-M295 PolarHBondContact O-N 3.23Å
293	S	43	Very low	40.2	Very low	71 Å²	71	89.5 Å²	89.5	50%	0.497	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-58	-19.5	174.8	60.2	0	0	0	0	112.9	M295 S296	S293-M295 VanDerWaalsContact C-N 3.35Å; S293-S296 PolarHBondContact O-OG 3.15Å
294	S	38.9	Very low	39.1	Very low	88 Å²	88	91 Å²	91	62%	0.615	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-72.4	-22	174.8	69.8	0	0	0	0	113.7	D292	D292-S294 PolarHBondContact O-N 2.98Å
295	M	28.2	Very low	38	Very low	87 Å²	87	90.6 Å²	90.6	43%	0.429	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-92.7	6.2	-177.5	-68.7	-147.7	94.7	0	0	114.5	D292 S293 S297 T298 I299	D292-M295 HydrophobicContact CB-CG 4.24Å; D292-M295 PolarHBondContact O-N 3.23Å; S293-M295 VanDerWaalsContact C-N 3.35Å; M295-S297 PolarHBondContact O-N 3.08Å; M295-T298 HydrophobicContact CE-CG2 4.28Å; M295-T298 PolarHBondContact O-N 3.01Å; M295-I299 PolarHBondContact O-N 3.44Å
296	S	32.1	Very low	37	Very low	49 Å²	49	89.2 Å²	89.2	34%	0.343	48%	0.48	S	S	.	.	H	α-helix	trans	-57	-23.4	-177.6	61.1	0	0	0	0	114.4	S293	S293-S296 PolarHBondContact O-OG 3.15Å
297	S	29.1	Very low	36	Very low	86 Å²	86	86.8 Å²	86.8	60%	0.601	48%	0.475	S	S	*	.	H	α-helix	trans	-85.3	-21.8	175	68.5	0	0	0	0	114.3	M295	M295-S297 PolarHBondContact O-N 3.08Å
298	T	25.7	Very low	34.7	Very low	51 Å²	51	86.5 Å²	86.5	31%	0.313	48%	0.477	S	S	.	.	H	α-helix	trans	-92	-34	-168.9	-23.2	0	0	0	0	112.6	M295 K301 R302	M295-T298 HydrophobicContact CE-CG2 4.28Å; M295-T298 PolarHBondContact O-N 3.01Å; T298-K301 PolarHBondContact O-N 3.4Å; T298-R302 PolarHBondContact O-N 2.88Å
299	I	28.2	Very low	33.6	Very low	66 Å²	66	87.4 Å²	87.4	34%	0.338	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-44.3	179.6	-63.9	175.3	0	0	0	110.3	V290 M295 K301 R302 T303	V290-I299 HydrophobicContact CB-CD1 4.46Å; V290-I299 HydrophobicContact CG1-CD1 3.74Å; V290-I299 HydrophobicContact CG2-CD1 4.02Å; M295-I299 PolarHBondContact O-N 3.44Å; I299-K301 PolarHBondContact O-N 3.34Å; I299-K301 VanDerWaalsContact O-N 3.13Å; I299-R302 PolarHBondContact O-N 3.11Å; I299-T303 PolarHBondContact O-N 2.96Å; I299-T303 VanDerWaalsContact O-N 3.07Å; I299-T303 PolarHBondContact O-OG1 3.44Å
300	F	28.6	Very low	32.2	Very low	82 Å²	82	85.4 Å²	85.4	36%	0.36	49%	0.487	S	S	.	.	H	α-helix	trans	-57.7	-32.2	178	-102.8	-86.1	0	0	0	113.7	F280 L304	F280-F300 HydrophobicContact CD1-CE2 4.18Å; F280-F300 HydrophobicContact CE1-CD2 4.5Å; F280-F300 AromaticContact CE1-CE2 3.61Å; F280-F300 HydrophobicContact CE1-CE2 3.61Å; F280-F300 HydrophobicContact CE1-CZ 4.45Å; F280-F300 HydrophobicContact CZ-CD2 4.45Å; F280-F300 AromaticContact CZ-CE2 3.97Å; F280-F300 HydrophobicContact CZ-CE2 3.97Å; F300-L304 HydrophobicContact CD1-CD1 4.42Å
301	K	28	Very low	30.9	Very low	171 Å²	171	89.3 Å²	89.3	74%	0.743	51%	0.507	S	S	*	.	H	α-helix	trans	-78.6	-26.2	177.6	-76.1	-172.8	176.8	-178.4	0	113.7	T298 I299 P305	T298-K301 PolarHBondContact O-N 3.4Å; I299-K301 PolarHBondContact O-N 3.34Å; I299-K301 VanDerWaalsContact O-N 3.13Å; K301-P305 WeakPolarHBondContact O-CD 3.36Å
302	R	25.1	Very low	29.5	Very low	183 Å²	183	91.2 Å²	91.2	69%	0.691	50%	0.497	S	S	*	.	H	α-helix	trans	-93.6	-28.6	-176.8	-80.1	-172.3	174.6	169.1	-1.2	114.2	T298 I299 P305 H306	T298-R302 PolarHBondContact O-N 2.88Å; I299-R302 PolarHBondContact O-N 3.11Å; R302-P305 WeakPolarHBondContact O-CD 3.39Å; R302-H306 PolarHBondContact O-CD2 3.22Å; R302-H306 VanDerWaalsContact O-CD2 3.28Å
303	T	28.6	Very low	28.2	Very low	48 Å²	48	89.1 Å²	89.1	29%	0.294	49%	0.493	S	S	.	.	H	α-helix	trans	-80	-28.6	179.8	-23	0	0	0	0	112.7	I299 H306 I307	I299-T303 PolarHBondContact O-N 2.96Å; I299-T303 VanDerWaalsContact O-N 3.07Å; I299-T303 PolarHBondContact O-OG1 3.44Å; T303-H306 PolarHBondContact O-N 3.39Å; T303-I307 HydrophobicContact CG2-CD1 4.44Å; T303-I307 PolarHBondContact O-N 3.25Å
304	L	29.5	Very low	27.5	Very low	104 Å²	104	94.2 Å²	94.2	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-43.5	-179.9	-114.2	104.5	0	0	0	114.1	F300 H306 A308	F300-L304 HydrophobicContact CD1-CD1 4.42Å; L304-H306 VanDerWaalsContact C-N 3.31Å; L304-H306 PolarHBondContact O-N 2.98Å; L304-A308 VanDerWaalsContact O-CB 3.31Å; L304-A308 WeakPolarHBondContact O-CB 3.41Å; L304-A308 PolarHBondContact O-N 3.5Å
305	P	27.8	Very low	27	Very low	68 Å²	68	96 Å²	96	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-59	-39.9	175.9	-24	31	0	0	0	113	K301 R302 A308 T309	K301-P305 WeakPolarHBondContact O-CD 3.36Å; R302-P305 WeakPolarHBondContact O-CD 3.39Å; P305-A308 PolarHBondContact O-N 3.4Å; P305-T309 WeakPolarHBondContact O-CB 3.4Å; P305-T309 PolarHBondContact O-N 3.44Å; P305-T309 PolarHBondContact O-OG1 2.93Å
306	H	27.9	Very low	27	Very low	143 Å²	143	98.5 Å²	98.5	66%	0.662	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-39.8	-175.2	-71.5	-65.4	0	0	0	112.9	R302 T303 L304 T309 A310	R302-H306 PolarHBondContact O-CD2 3.22Å; R302-H306 VanDerWaalsContact O-CD2 3.28Å; T303-H306 PolarHBondContact O-N 3.39Å; L304-H306 VanDerWaalsContact C-N 3.31Å; L304-H306 PolarHBondContact O-N 2.98Å; H306-T309 PolarHBondContact O-N 3.36Å; H306-A310 PolarHBondContact O-N 3.03Å
307	I	30.8	Very low	27.1	Very low	73 Å²	73	106.1 Å²	106.1	37%	0.374	55%	0.551	S	S	.	*	H	α-helix	trans	-72.4	-37.9	176.5	-60.9	174.1	0	0	0	110.6	T303 T309 A310 L311	T303-I307 HydrophobicContact CG2-CD1 4.44Å; T303-I307 PolarHBondContact O-N 3.25Å; I307-T309 VanDerWaalsContact C-N 3.27Å; I307-T309 PolarHBondContact O-N 2.95Å; I307-A310 PolarHBondContact O-N 3.47Å; I307-L311 HydrophobicContact CG2-CD1 3.88Å; I307-L311 WeakPolarHBondContact O-CB 3.44Å; I307-L311 PolarHBondContact O-N 3.28Å
308	A	25.2	Very low	27	Very low	52 Å²	52	107.1 Å²	107.1	43%	0.43	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-37.2	174.1	0	0	0	0	0	111.6	L304 P305 F312	L304-A308 VanDerWaalsContact O-CB 3.31Å; L304-A308 WeakPolarHBondContact O-CB 3.41Å; L304-A308 PolarHBondContact O-N 3.5Å; P305-A308 PolarHBondContact O-N 3.4Å; A308-F312 WeakPolarHBondContact O-CB 3.39Å; A308-F312 PolarHBondContact O-N 3.29Å
309	T	26	Very low	27.1	Very low	96 Å²	96	110.1 Å²	110.1	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-70.2	-40.6	176.9	-45.1	0	0	0	0	111.6	P305 H306 I307 F312 A313	P305-T309 WeakPolarHBondContact O-CB 3.4Å; P305-T309 PolarHBondContact O-N 3.44Å; P305-T309 PolarHBondContact O-OG1 2.93Å; H306-T309 PolarHBondContact O-N 3.36Å; I307-T309 VanDerWaalsContact C-N 3.27Å; I307-T309 PolarHBondContact O-N 2.95Å; T309-F312 PolarHBondContact O-N 3.18Å; T309-A313 PolarHBondContact O-N 2.77Å; T309-A313 VanDerWaalsContact O-N 3.11Å
310	A	23.8	Very low	27	Very low	65 Å²	65	112.5 Å²	112.5	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-39.4	175.9	0	0	0	0	0	112.3	H306 I307 Y314	H306-A310 PolarHBondContact O-N 3.03Å; I307-A310 PolarHBondContact O-N 3.47Å; A310-Y314 PolarHBondContact O-N 3.28Å
311	L	25.6	Very low	26.9	Very low	96 Å²	96	114.3 Å²	114.3	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-73.4	-34	175.7	-81.7	164.1	0	0	0	112.8	I307 A313 Y314 I315	I307-L311 HydrophobicContact CG2-CD1 3.88Å; I307-L311 WeakPolarHBondContact O-CB 3.44Å; I307-L311 PolarHBondContact O-N 3.28Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 3.23Å; L311-Y314 WeakPolarHBondContact O-CB 3.24Å; L311-Y314 PolarHBondContact O-N 2.95Å; L311-Y314 VanDerWaalsContact O-N 3.08Å; L311-I315 WeakPolarHBondContact O-CG1 3.39Å; L311-I315 PolarHBondContact O-N 3.46Å
312	F	19.7	Very low	26.8	Very low	140 Å²	140	110.8 Å²	110.8	61%	0.614	58%	0.576	S	S	*	*	H	α-helix	trans	-65.7	-34	175.1	-123.5	-87.8	0	0	0	112	A308 T309 Y314 I315 L316	A308-F312 WeakPolarHBondContact O-CB 3.39Å; A308-F312 PolarHBondContact O-N 3.29Å; T309-F312 PolarHBondContact O-N 3.18Å; F312-Y314 VanDerWaalsContact C-N 3.26Å; F312-Y314 PolarHBondContact O-N 2.93Å; F312-I315 PolarHBondContact O-N 3.27Å; F312-L316 HydrophobicContact CD1-CD1 3.82Å; F312-L316 HydrophobicContact CD1-CG 4.31Å; F312-L316 HydrophobicContact CE1-CD1 4.14Å; F312-L316 PolarHBondContact O-N 3.04Å
313	A	20.5	Very low	27	Very low	52 Å²	52	105.9 Å²	105.9	43%	0.43	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-33.2	171.7	0	0	0	0	0	111.8	T309 L311 M317	T309-A313 PolarHBondContact O-N 2.77Å; T309-A313 VanDerWaalsContact O-N 3.11Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 3.23Å; A313-M317 WeakPolarHBondContact O-CG 3.4Å
314	Y	28.9	Very low	26.8	Very low	179 Å²	179	110.1 Å²	110.1	70%	0.702	59%	0.588	S	S	*	*	H	α-helix	trans	-77.9	-29.7	179.1	-164.6	-94	0	0	0	113.9	A310 L311 F312	A310-Y314 PolarHBondContact O-N 3.28Å; L311-Y314 WeakPolarHBondContact O-CB 3.24Å; L311-Y314 PolarHBondContact O-N 2.95Å; L311-Y314 VanDerWaalsContact O-N 3.08Å; F312-Y314 VanDerWaalsContact C-N 3.26Å; F312-Y314 PolarHBondContact O-N 2.93Å
315	I	28.3	Very low	26.6	Very low	124 Å²	124	110.5 Å²	110.5	64%	0.636	59%	0.591	S	S	*	*	H	α-helix	trans	-85.3	-20.8	-178.9	-65	172.1	0	0	0	112.5	L311 F312	L311-I315 WeakPolarHBondContact O-CG1 3.39Å; L311-I315 PolarHBondContact O-N 3.46Å; F312-I315 PolarHBondContact O-N 3.27Å
316	L	27.3	Very low	26.5	Very low	141 Å²	141	114.1 Å²	114.1	74%	0.738	60%	0.603	S	S	*	*			trans	-91.5	3.2	174.8	-70.6	174	0	0	0	113.6	F312	F312-L316 HydrophobicContact CD1-CD1 3.82Å; F312-L316 HydrophobicContact CD1-CG 4.31Å; F312-L316 HydrophobicContact CE1-CD1 4.14Å; F312-L316 PolarHBondContact O-N 3.04Å
317	M	34.4	Very low	26.4	Very low	208 Å²	208	111.5 Å²	111.5	100%	1.025	60%	0.598	S	S	*	*			trans	-93.7	0	163.7	-67.5	-177.2	-159.4	0	0	109.7	A313	A313-M317 WeakPolarHBondContact O-CG 3.4Å

Retrieved 317 of 317 residues in 585.3 ms (Link to these results)

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