A0A061I6Q7_CRIGR Loading...

AlkB homolog 4, lysine demethylase

AlphaFold DB , UniProt , Accession A0A061I6Q7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Alkbh4, Length 306 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	35.6	Very low	34.3	Very low	242 Å²	242	110.1 Å²	110.1	100%	1.192	82%	0.821	S	S	*	*				0	123.6	0	-81	-145.2	-71.8	0	0	108.3
2	A	31.5	Very low	34.8	Very low	104 Å²	104	115.7 Å²	115.7	86%	0.86	82%	0.822	S	S	*	*			trans	55.3	146.3	158	0	0	0	0	0	119.3
3	A	31.8	Very low	35	Very low	88 Å²	88	116.7 Å²	116.7	73%	0.727	82%	0.819	S	S	*	*			cis	-174.3	151.1	-16.1	0	0	0	0	0	106.5
4	A	33.3	Very low	35.7	Very low	102 Å²	102	117.3 Å²	117.3	84%	0.843	82%	0.816	S	S	*	*			trans	35	141.8	136.3	0	0	0	0	0	120.2
5	A	33.5	Very low	36.5	Very low	92 Å²	92	125.1 Å²	125.1	76%	0.76	82%	0.82	S	S	*	*			cis	-159.5	127.5	22.9	0	0	0	0	0	109.6
6	A	34.7	Very low	37.9	Very low	101 Å²	101	125.9 Å²	125.9	84%	0.835	81%	0.814	S	S	*	*			trans	-94.8	115.7	158.6	0	0	0	0	0	107	A8	A6-A8 PolarHBondContact O-N 2.95Å
7	V	36.7	Very low	40	Very low	141 Å²	141	125.2 Å²	125.2	86%	0.855	80%	0.798	S	S	*	*			trans	-66.1	98.1	175.5	179	0	0	0	0	107.6	G9	V7-G9 PolarHBondContact O-N 2.9Å; V7-G9 VanDerWaalsContact O-N 3.1Å
8	A	34.7	Very low	42.6	Very low	90 Å²	90	121.7 Å²	121.7	74%	0.744	78%	0.782	S	S	*	*			trans	-71.9	98	166.5	0	0	0	0	0	107.7	A6 A10	A6-A8 PolarHBondContact O-N 2.95Å; A8-A10 PolarHBondContact O-N 3.1Å
9	G	33.4	Very low	45.2	Very low	71 Å²	71	117.4 Å²	117.4	73%	0.732	76%	0.755	S	S	*	*			trans	-63.1	90.7	158.8	0	0	0	0	0	108	V7 A11	V7-G9 PolarHBondContact O-N 2.9Å; V7-G9 VanDerWaalsContact O-N 3.1Å; G9-A11 VanDerWaalsContact C-N 3.34Å; G9-A11 PolarHBondContact O-N 2.77Å
10	A	35.7	Very low	47.6	Very low	91 Å²	91	112.4 Å²	112.4	75%	0.752	73%	0.726	S	S	*	*			trans	-64.3	101.1	167.6	0	0	0	0	0	106.9	A8 E12	A8-A10 PolarHBondContact O-N 3.1Å; A10-E12 PolarHBondContact O-N 2.96Å
11	A	36.8	Very low	49.7	Very low	89 Å²	89	108.2 Å²	108.2	74%	0.736	70%	0.699	S	S	*	*			trans	-59.6	94.4	161	0	0	0	0	0	106.8	G9 T13	G9-A11 VanDerWaalsContact C-N 3.34Å; G9-A11 PolarHBondContact O-N 2.77Å; A11-T13 VanDerWaalsContact C-N 3.26Å; A11-T13 PolarHBondContact O-N 2.85Å
12	E	39.4	Very low	52.1	Low	177 Å²	177	104 Å²	104	83%	0.827	67%	0.674	S	S	*	*			trans	-59.9	97.3	167.2	-143.7	173	-171	0	0	105.8	A10 T14	A10-E12 PolarHBondContact O-N 2.96Å; E12-T14 PolarHBondContact O-N 2.84Å
13	T	38.5	Very low	54.8	Low	129 Å²	129	102.4 Å²	102.4	79%	0.791	67%	0.668	S	S	*	*			trans	-65.6	88.9	171.7	12.7	0	0	0	0	105.2	A11 R15	A11-T13 VanDerWaalsContact C-N 3.26Å; A11-T13 PolarHBondContact O-N 2.85Å; T13-R15 VanDerWaalsContact C-N 3.26Å; T13-R15 PolarHBondContact O-N 2.76Å
14	T	44.5	Very low	57.3	Low	125 Å²	125	105.4 Å²	105.4	77%	0.767	67%	0.67	S	S	*	*			trans	-55.6	98.2	169.5	1.3	0	0	0	0	105.2	E12 L16	E12-T14 PolarHBondContact O-N 2.84Å; T14-L16 VanDerWaalsContact C-N 3.26Å; T14-L16 PolarHBondContact O-N 3.4Å
15	R	48.1	Very low	59.8	Low	235 Å²	235	104.2 Å²	104.2	89%	0.887	64%	0.644	S	S	*	*			trans	-56.5	101.6	167.1	-84.2	-177.3	175.7	178.5	-0.4	105	T13 Q17	T13-R15 VanDerWaalsContact C-N 3.26Å; T13-R15 PolarHBondContact O-N 2.76Å; R15-Q17 PolarHBondContact O-N 2.67Å
16	L	58.5	Low	62.5	Low	138 Å²	138	100.6 Å²	100.6	72%	0.723	61%	0.612	S	S	*	*			trans	-51.2	106.5	172.9	-76.8	159.2	0	0	0	106.3	T14 A18 Q33	T14-L16 VanDerWaalsContact C-N 3.26Å; T14-L16 PolarHBondContact O-N 3.4Å; L16-A18 PolarHBondContact O-N 3.19Å; L16-Q33 HydrophobicContact CD2-CG 4.27Å
17	Q	73.3	Confident	65.3	Low	114 Å²	114	95.8 Å²	95.8	53%	0.533	57%	0.573	S	S	.	*			trans	-56.6	127.2	178.2	-73.6	-176.2	-15.8	0	0	107.6	R15 I29 Q33	R15-Q17 PolarHBondContact O-N 2.67Å; Q17-I29 HydrophobicContact CB-CD1 3.94Å; Q17-I29 HydrophobicContact CB-CG1 4.25Å; Q17-I29 HydrophobicContact CB-CG2 4Å; Q17-I29 WeakPolarHBondContact O-CG2 3.48Å; Q17-Q33 PolarHBondContact O-NE2 3.1Å
18	A	87.3	Confident	68	Low	62 Å²	62	91.7 Å²	91.7	51%	0.512	55%	0.546	S	S	.	.			trans	-77.8	141.5	-179.4	0	0	0	0	0	111.1	L16 L103 R166	L16-A18 PolarHBondContact O-N 3.19Å; A18-L103 HydrophobicContact CB-CD1 3.73Å; A18-R166 PolarHBondContact O-NH2 2.97Å
19	C	91.6	Very high	70.7	Confident	40 Å²	40	87.5 Å²	87.5	27%	0.27	51%	0.511	S	S	.	.			trans	-118.6	146.6	171.4	73.1	0	0	0	0	111.2	C21 C27 I29 C30	C19-C21 VanDerWaalsContact C-N 3.31Å; C19-C27 VanDerWaalsContact CB-SG 3.59Å; C19-I29 HydrophobicContact CB-CB 4.37Å; C19-I29 HydrophobicContact CB-CG2 4.28Å; C19-C30 WeakPolarHBondContact CB-SG 3.44Å; C19-C30 WeakPolarHBondContact SG-CB 3.26Å; C19-C30 CovalentContact SG-SG 2.1Å; C19-C30 PolarHBondContact SG-SG 3.24Å
20	G	92.4	Very high	73.4	Confident	17 Å²	17	84.5 Å²	84.5	18%	0.175	48%	0.478	C	S	.	.			trans	-90.7	8.5	176	0	0	0	0	0	113.8	S104	G20-S104 CarbonylContact C-O 3.44Å; G20-S104 VanDerWaalsContact CA-O 3.3Å; G20-S104 WeakPolarHBondContact CA-O 3.41Å
21	C	92	Very high	76	Confident	24 Å²	24	81.9 Å²	81.9	16%	0.162	45%	0.451	C	S	.	.			trans	-67.2	144.4	-178	-62.6	0	0	0	0	111.8	C19 R25 C30 S106	C19-C21 VanDerWaalsContact C-N 3.31Å; C21-R25 WeakPolarHBondContact CB-O 3.45Å; C21-C30 WeakPolarHBondContact CB-SG 3.39Å; C21-C30 PolarHBondContact SG-SG 3.35Å; C21-S106 PolarHBondContact SG-N 3.27Å
22	K	87.6	Confident	78.4	Confident	153 Å²	153	84.6 Å²	84.6	67%	0.665	44%	0.442	S	S	*	.			trans	-137.4	149.4	179.9	-62.3	-176.8	-178.5	180	0	110.2	I24 R25	K22-I24 PolarHBondContact O-N 3.23Å; K22-R25 PolarHBondContact O-N 3.37Å
23	G	86.9	Confident	80.5	Confident	71 Å²	71	80 Å²	80	73%	0.732	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-128.6	177.9	0	0	0	0	0	112.4	R25	G23-R25 VanDerWaalsContact C-N 3.31Å; G23-R25 PolarHBondContact O-N 2.84Å
24	I	83.8	Confident	82.2	Confident	151 Å²	151	79.9 Å²	79.9	77%	0.774	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14	-177.5	64.4	168.4	0	0	0	113.9	K22	K22-I24 PolarHBondContact O-N 3.23Å
25	R	87.7	Confident	82.8	Confident	77 Å²	77	82.5 Å²	82.5	29%	0.291	41%	0.409	S	S	.	.			trans	-75.3	134.4	-177.6	-55.4	-53.9	-166.4	-169.9	-3.1	109.9	C21 K22 G23 D171	C21-R25 WeakPolarHBondContact CB-O 3.45Å; K22-R25 PolarHBondContact O-N 3.37Å; G23-R25 VanDerWaalsContact C-N 3.31Å; G23-R25 PolarHBondContact O-N 2.84Å; R25-D171 WeakPolarHBondContact CD-OD2 3.34Å; R25-D171 IonicContact CZ-OD1 3.44Å; R25-D171 IonicContact CZ-OD2 2.91Å; R25-D171 IonicContact NE-OD1 3.33Å; R25-D171 IonicContact NE-OD2 3.78Å; R25-D171 PolarHBondContact NE-OD2 3.18Å; R25-D171 IonicContact NH1-OD1 3.81Å; R25-D171 PolarHBondContact NH1-OD1 3.18Å; R25-D171 IonicContact NH1-OD2 3.79Å; R25-D171 VanDerWaalsContact NH2-CB 3.32Å
26	T	90	Very high	83.1	Confident	16 Å²	16	75.1 Å²	75.1	10%	0.098	41%	0.406	C	S	.	.			trans	-128	162.4	177.7	59.7	0	0	0	0	111.5	E31 R34 S106 R262	T26-E31 WeakPolarHBondContact CB-OE1 3.3Å; T26-E31 PolarHBondContact OG1-OE1 3.07Å; T26-R34 VanDerWaalsContact CG2-NH1 3.26Å; T26-S106 WeakPolarHBondContact O-CA 3.35Å; T26-R262 PolarHBondContact O-NH2 2.77Å; T26-R262 PolarHBondContact OG1-NH2 3.42Å
27	C	93.1	Very high	82.7	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.4	C	S	.	.			trans	-134.2	172.6	167.7	79.2	0	0	0	0	108	C19 I29 C30 E31 R166	C19-C27 VanDerWaalsContact CB-SG 3.59Å; C27-I29 PolarHBondContact O-N 2.93Å; C27-I29 VanDerWaalsContact O-N 3.1Å; C27-C30 PolarHBondContact O-N 3.37Å; C27-C30 PolarHBondContact SG-SG 2.94Å; C27-E31 PolarHBondContact O-N 3.22Å; C27-R166 VanDerWaalsContact CB-O 3.25Å; C27-R166 WeakPolarHBondContact CB-O 3.2Å
28	L	92.8	Very high	81.6	Confident	55 Å²	55	72.4 Å²	72.4	29%	0.288	41%	0.408	S	S	.	.	H	α-helix	trans	-59.4	-28.8	-176.2	-68.3	176.7	0	0	0	112.9	R32 R166	L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 VanDerWaalsContact O-CG 3.27Å; L28-R32 WeakPolarHBondContact O-CG 3.49Å; L28-R32 PolarHBondContact O-N 3.32Å; L28-R32 PolarHBondContact O-NE 3.12Å; L28-R166 PolarHBondContact N-O 2.83Å
29	I	91.8	Very high	79.9	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.015	40%	0.399	C	S	.	.	H	α-helix	trans	-67.1	-49.3	174.9	-66.5	165.1	0	0	0	111.1	Q17 C19 C27 E31 R32 Q33 R166	Q17-I29 HydrophobicContact CB-CD1 3.94Å; Q17-I29 HydrophobicContact CB-CG1 4.25Å; Q17-I29 HydrophobicContact CB-CG2 4Å; Q17-I29 WeakPolarHBondContact O-CG2 3.48Å; C19-I29 HydrophobicContact CB-CB 4.37Å; C19-I29 HydrophobicContact CB-CG2 4.28Å; C27-I29 PolarHBondContact O-N 2.93Å; C27-I29 VanDerWaalsContact O-N 3.1Å; I29-E31 PolarHBondContact O-N 3.5Å; I29-R32 PolarHBondContact O-N 2.91Å; I29-Q33 WeakPolarHBondContact O-CG 3.33Å; I29-Q33 PolarHBondContact O-N 2.98Å; I29-Q33 VanDerWaalsContact O-N 3.11Å; I29-R166 HydrophobicContact CD1-CG 4.28Å
30	C	90	Very high	77.9	Confident	7 Å²	7	80.7 Å²	80.7	5%	0.047	43%	0.427	C	S	.	.	H	α-helix	trans	-68	-28	-178.8	-28	0	0	0	0	110.6	C19 C21 C27 R34	C19-C30 WeakPolarHBondContact CB-SG 3.44Å; C19-C30 WeakPolarHBondContact SG-CB 3.26Å; C19-C30 CovalentContact SG-SG 2.1Å; C19-C30 PolarHBondContact SG-SG 3.24Å; C21-C30 WeakPolarHBondContact CB-SG 3.39Å; C21-C30 PolarHBondContact SG-SG 3.35Å; C27-C30 PolarHBondContact O-N 3.37Å; C27-C30 PolarHBondContact SG-SG 2.94Å; C30-R34 WeakPolarHBondContact O-CD 3.25Å; C30-R34 WeakPolarHBondContact O-CG 3.07Å; C30-R34 PolarHBondContact O-N 2.88Å
31	E	89.1	Confident	75.9	Confident	37 Å²	37	86.9 Å²	86.9	17%	0.173	45%	0.451	C	S	.	.	H	α-helix	trans	-72.5	-42.7	174.1	-73.8	161.5	-155.4	0	0	112.6	T26 C27 I29 Q33 R34 P39 R262	T26-E31 WeakPolarHBondContact CB-OE1 3.3Å; T26-E31 PolarHBondContact OG1-OE1 3.07Å; C27-E31 PolarHBondContact O-N 3.22Å; I29-E31 PolarHBondContact O-N 3.5Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.75Å; E31-R34 PolarHBondContact O-N 3.43Å; E31-P39 HydrophobicContact CG-CB 4.11Å; E31-P39 HydrophobicContact CG-CG 4.13Å; E31-R262 VanDerWaalsContact CD-NH1 3.32Å; E31-R262 IonicContact OE1-CZ 2.66Å; E31-R262 VanDerWaalsContact OE1-CZ 3.25Å; E31-R262 IonicContact OE1-NH1 2.94Å; E31-R262 PolarHBondContact OE1-NH1 3.31Å; E31-R262 IonicContact OE1-NH2 3.38Å; E31-R262 PolarHBondContact OE1-NH2 3.12Å; E31-R262 IonicContact OE2-NH1 3.91Å; E31-R262 PolarHBondContact OE2-NH1 3.05Å
32	R	88.7	Confident	73.8	Confident	145 Å²	145	92 Å²	92	55%	0.547	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-35.6	174	-76.3	-176.1	-72.9	-112.5	5.8	112.8	L28 I29 E165	L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 VanDerWaalsContact O-CG 3.27Å; L28-R32 WeakPolarHBondContact O-CG 3.49Å; L28-R32 PolarHBondContact O-N 3.32Å; L28-R32 PolarHBondContact O-NE 3.12Å; I29-R32 PolarHBondContact O-N 2.91Å; R32-E165 PolarHBondContact NH2-O 3.23Å
33	Q	84	Confident	72.1	Confident	81 Å²	81	87.9 Å²	87.9	38%	0.379	47%	0.466	S	S	.	.	H	α-helix	trans	-77.1	-25.9	179.4	-70.8	171.2	2.2	0	0	113.1	L16 Q17 I29 E31 H35	L16-Q33 HydrophobicContact CD2-CG 4.27Å; Q17-Q33 PolarHBondContact O-NE2 3.1Å; I29-Q33 WeakPolarHBondContact O-CG 3.33Å; I29-Q33 PolarHBondContact O-N 2.98Å; I29-Q33 VanDerWaalsContact O-N 3.11Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.75Å; Q33-H35 PolarHBondContact O-N 3.29Å
34	R	73.4	Confident	70.5	Confident	126 Å²	126	89.6 Å²	89.6	48%	0.475	46%	0.464	S	S	.	.	S	Bend	trans	-86.5	79.3	174.2	-70.4	172.8	-170.9	-174.4	3.9	108.5	T26 C30 E31 G36	T26-R34 VanDerWaalsContact CG2-NH1 3.26Å; C30-R34 WeakPolarHBondContact O-CD 3.25Å; C30-R34 WeakPolarHBondContact O-CG 3.07Å; C30-R34 PolarHBondContact O-N 2.88Å; E31-R34 PolarHBondContact O-N 3.43Å; R34-G36 PolarHBondContact O-N 3.25Å
35	H	56.8	Low	69.6	Low	180 Å²	180	91.2 Å²	91.2	83%	0.833	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	106.4	175	-68.8	-80	0	0	0	111.4	Q33	Q33-H35 PolarHBondContact O-N 3.29Å
36	G	53.6	Low	69.1	Low	80 Å²	80	88.7 Å²	88.7	83%	0.825	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	3.5	161.7	0	0	0	0	0	119.4	R34	R34-G36 PolarHBondContact O-N 3.25Å
37	S	50	Low	68.6	Low	85 Å²	85	94 Å²	94	59%	0.594	48%	0.482	S	S	*	.			trans	-99.3	114	170.1	-59.6	0	0	0	0	109.9
38	P	50.7	Low	68.4	Low	110 Å²	110	95.2 Å²	95.2	71%	0.714	49%	0.486	S	S	*	.			trans	-57.5	138.2	176.3	22.8	-30.4	0	0	0	109	R40	P38-R40 PolarHBondContact O-N 3.45Å
39	P	52.8	Low	68.4	Low	48 Å²	48	96.5 Å²	96.5	31%	0.312	49%	0.491	S	S	.	.			trans	-53.7	131.4	171.1	22	-30.4	0	0	0	108	E31 Q41	E31-P39 HydrophobicContact CG-CB 4.11Å; E31-P39 HydrophobicContact CG-CG 4.13Å; P39-Q41 PolarHBondContact O-N 3.24Å
40	R	48.4	Very low	68.6	Low	229 Å²	229	96.4 Å²	96.4	86%	0.864	49%	0.49	S	S	*	.			trans	-65.9	79.8	166.9	-87.5	-173.3	174.1	169.4	-1.5	107.7	P38 I42	P38-R40 PolarHBondContact O-N 3.45Å; R40-I42 HydrophobicContact CB-CD1 4.27Å; R40-I42 HydrophobicContact CB-CG1 4.2Å; R40-I42 HydrophobicContact CG-CD1 3.98Å; R40-I42 HydrophobicContact CG-CG1 4.4Å; R40-I42 PolarHBondContact O-N 3.49Å
41	Q	50.3	Low	69	Low	147 Å²	147	100.1 Å²	100.1	69%	0.687	51%	0.509	S	S	*	.			trans	-79	76.3	162	-127.9	-178.1	-11.1	0	0	106.2	P39	P39-Q41 PolarHBondContact O-N 3.24Å
42	I	48	Very low	69.4	Low	130 Å²	130	99.2 Å²	99.2	67%	0.667	50%	0.504	S	S	*	.			trans	-113.5	58.8	171.1	-44.2	173.9	0	0	0	106.3	R40	R40-I42 HydrophobicContact CB-CD1 4.27Å; R40-I42 HydrophobicContact CB-CG1 4.2Å; R40-I42 HydrophobicContact CG-CD1 3.98Å; R40-I42 HydrophobicContact CG-CG1 4.4Å; R40-I42 PolarHBondContact O-N 3.49Å
43	S	51.4	Low	69.8	Low	68 Å²	68	94 Å²	94	48%	0.476	49%	0.489	S	S	.	.	S	Bend	trans	-82.4	124.2	146.3	52.2	0	0	0	0	104.8	Q45	S43-Q45 PolarHBondContact O-N 2.87Å
44	P	54	Low	70.3	Confident	107 Å²	107	92.1 Å²	92.1	70%	0.695	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-49.7	123.8	169.6	-15.1	24.7	0	0	0	106.9	K46	P44-K46 PolarHBondContact O-N 3.29Å
45	Q	65.9	Low	71.2	Confident	184 Å²	184	92.7 Å²	92.7	86%	0.86	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-58.9	116.4	170.2	-80.8	178.1	-18	0	0	105.9	S43 K47	S43-Q45 PolarHBondContact O-N 2.87Å; Q45-K47 PolarHBondContact O-N 3.21Å
46	K	76.9	Confident	72.9	Confident	24 Å²	24	87.4 Å²	87.4	10%	0.104	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-56.7	134.1	172.1	-64.8	-71.2	-179.2	175.4	0	106.5	P44 H49 C199 E200 Q232 E233 E235	P44-K46 PolarHBondContact O-N 3.29Å; K46-H49 PolarHBondContact O-CE1 2.89Å; K46-C199 PolarHBondContact NZ-O 3.33Å; K46-E200 IonicContact NZ-OE1 2.73Å; K46-E200 PolarHBondContact NZ-OE1 3.29Å; K46-Q232 WeakPolarHBondContact CD-O 3.26Å; K46-Q232 WeakPolarHBondContact CE-O 3.08Å; K46-Q232 PolarHBondContact NZ-O 3.19Å; K46-E233 CarbonylContact C-O 3.59Å; K46-E235 HydrophobicContact CB-CB 3.83Å; K46-E235 HydrophobicContact CG-CB 4.02Å
47	K	78.7	Confident	74.9	Confident	129 Å²	129	84.6 Å²	84.6	56%	0.561	45%	0.448	S	S	*	.	S	Bend	trans	-78	-32.5	-169.8	-168.3	177.7	166.5	-158.9	0	111.2	Q45 E233	Q45-K47 PolarHBondContact O-N 3.21Å; K47-E233 HydrophobicContact CB-CB 4.17Å; K47-E233 WeakPolarHBondContact CD-OE2 3.42Å; K47-E233 PolarHBondContact N-O 3.48Å
48	Y	88.1	Confident	77.1	Confident	24 Å²	24	83.5 Å²	83.5	9%	0.094	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.3	-174.4	-44.4	-52.3	0	0	0	110.1	F67 V229 E233 V234 E235	Y48-F67 HydrophobicContact CD1-CD2 4.46Å; Y48-F67 HydrophobicContact CD1-CE1 4.46Å; Y48-F67 AromaticContact CD1-CE2 3.23Å; Y48-F67 HydrophobicContact CD1-CE2 3.23Å; Y48-F67 AromaticContact CD1-CZ 3.22Å; Y48-F67 HydrophobicContact CD1-CZ 3.22Å; Y48-F67 HydrophobicContact CD2-CZ 4.48Å; Y48-F67 AromaticContact CE1-CE2 3.97Å; Y48-F67 HydrophobicContact CE1-CE2 3.97Å; Y48-F67 AromaticContact CE1-CZ 3.67Å; Y48-F67 HydrophobicContact CE1-CZ 3.67Å; Y48-F67 AromaticContact CG-CE2 3.83Å; Y48-F67 HydrophobicContact CG-CE2 3.83Å; Y48-F67 AromaticContact CG-CZ 3.65Å; Y48-F67 HydrophobicContact CG-CZ 3.65Å; Y48-V229 HydrophobicContact CD2-CB 3.85Å; Y48-V229 HydrophobicContact CD2-CG1 4Å; Y48-V229 HydrophobicContact CE2-CB 3.96Å; Y48-V229 HydrophobicContact CE2-CG1 4.02Å; Y48-V229 HydrophobicContact CG-CG1 4.47Å; Y48-E233 HydrophobicContact CD2-CB 3.57Å; Y48-E233 HydrophobicContact CE2-CB 3.51Å; Y48-E233 HydrophobicContact CE2-CG 4.32Å; Y48-E233 WeakPolarHBondContact CE2-OE2 3.32Å; Y48-E233 PolarHBondContact N-O 2.86Å; Y48-E233 PolarHBondContact OH-OE2 3.34Å; Y48-V234 HydrophobicContact CD2-CG2 4.16Å; Y48-V234 CarbonylContact O-C 3.51Å; Y48-V234 WeakPolarHBondContact O-CA 3.1Å; Y48-E235 PolarHBondContact O-N 3.14Å
49	H	93.5	Very high	79.3	Confident	83 Å²	83	78.3 Å²	78.3	38%	0.384	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.9	-178.2	-62.6	81.5	0	0	0	109.2	K46 P62 E235	K46-H49 PolarHBondContact O-CE1 2.89Å; H49-P62 WeakPolarHBondContact O-CD 3.43Å; H49-E235 WeakPolarHBondContact CA-O 3.48Å
50	F	96.5	Very high	81.3	Confident	1 Å²	1	78.8 Å²	78.8	0%	0.004	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.6	176.3	-68.9	-102.2	0	0	0	109.8	A59 M60 F67 F72 L207 V234 E235 V236 A237	F50-A59 HydrophobicContact CB-CB 3.94Å; F50-M60 CarbonylContact C-O 3.54Å; F50-M60 WeakPolarHBondContact CA-O 3.49Å; F50-F67 HydrophobicContact CE1-CB 4.25Å; F50-F67 HydrophobicContact CE1-CD1 4.3Å; F50-F67 HydrophobicContact CE1-CG 4.41Å; F50-F67 HydrophobicContact CE2-CD1 4.42Å; F50-F67 HydrophobicContact CE2-CG 4.49Å; F50-F67 HydrophobicContact CZ-CB 4.24Å; F50-F67 AromaticContact CZ-CD1 3.63Å; F50-F67 HydrophobicContact CZ-CD1 3.63Å; F50-F67 HydrophobicContact CZ-CE1 4.16Å; F50-F67 AromaticContact CZ-CG 3.91Å; F50-F67 HydrophobicContact CZ-CG 3.91Å; F50-F72 HydrophobicContact CB-CE1 4.21Å; F50-F72 HydrophobicContact CD1-CD1 4.04Å; F50-F72 AromaticContact CD1-CE1 3.69Å; F50-F72 HydrophobicContact CD1-CE1 3.69Å; F50-F72 AromaticContact CD2-CE1 3.78Å; F50-F72 HydrophobicContact CD2-CE1 3.78Å; F50-F72 HydrophobicContact CE1-CD1 4.01Å; F50-F72 AromaticContact CE1-CE1 3.95Å; F50-F72 HydrophobicContact CE1-CE1 3.95Å; F50-F72 HydrophobicContact CE2-CE1 4.01Å; F50-F72 HydrophobicContact CG-CD1 4.43Å; F50-F72 AromaticContact CG-CE1 3.63Å; F50-F72 HydrophobicContact CG-CE1 3.63Å; F50-F72 HydrophobicContact CG-CZ 4.5Å; F50-F72 HydrophobicContact CZ-CD1 4.34Å; F50-F72 HydrophobicContact CZ-CE1 4.1Å; F50-L207 HydrophobicContact CE1-CD2 4.05Å; F50-L207 HydrophobicContact CZ-CD1 4.01Å; F50-L207 HydrophobicContact CZ-CD2 3.81Å; F50-V234 HydrophobicContact CD2-CG1 3.92Å; F50-V234 HydrophobicContact CE2-CG1 4.3Å; F50-V234 HydrophobicContact CE2-CG2 4.3Å; F50-E235 PolarHBondContact N-O 2.92Å; F50-V236 HydrophobicContact CB-CG2 4.41Å; F50-V236 CarbonylContact O-C 3.49Å; F50-V236 WeakPolarHBondContact O-CA 3.4Å; F50-A237 PolarHBondContact O-N 3.38Å
51	L	97.3	Very high	83.5	Confident	84 Å²	84	68.5 Å²	68.5	44%	0.44	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.1	175.5	-57.9	179.3	0	0	0	109	M60 P62 A237	L51-M60 PolarHBondContact N-O 2.74Å; L51-M60 PolarHBondContact O-N 2.69Å; L51-P62 HydrophobicContact CD1-CB 4.36Å; L51-P62 HydrophobicContact CG-CG 4.24Å; L51-A237 HydrophobicContact CD2-CB 4.01Å
52	Y	98.1	Very high	85.5	Confident	19 Å²	19	62.9 Å²	62.9	8%	0.075	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	130	174.2	177.3	-104.3	0	0	0	110.6	P54 F74 V77 A237 I238	Y52-P54 HydrophobicContact CD1-CG 4.08Å; Y52-P54 VanDerWaalsContact CE1-CA 3.49Å; Y52-P54 HydrophobicContact CE1-CB 4.05Å; Y52-P54 HydrophobicContact CE1-CG 3.96Å; Y52-P54 WeakPolarHBondContact O-CD 3.36Å; Y52-F74 HydrophobicContact CD2-CB 4.04Å; Y52-F74 AromaticContact CD2-CD1 3.67Å; Y52-F74 HydrophobicContact CD2-CD1 3.67Å; Y52-F74 HydrophobicContact CD2-CG 4.28Å; Y52-F74 HydrophobicContact CE2-CB 4.23Å; Y52-F74 HydrophobicContact CE2-CD1 4.04Å; Y52-V77 HydrophobicContact CD1-CG1 3.99Å; Y52-V77 HydrophobicContact CE1-CB 3.97Å; Y52-V77 HydrophobicContact CE1-CG1 3.42Å; Y52-V77 VanDerWaalsContact CE1-CG1 3.42Å; Y52-V77 HydrophobicContact CE2-CB 3.9Å; Y52-V77 HydrophobicContact CE2-CG1 4.24Å; Y52-V77 HydrophobicContact CE2-CG2 4.44Å; Y52-V77 PolarHBondContact OH-O 3.44Å; Y52-A237 PolarHBondContact N-O 3.33Å; Y52-I238 HydrophobicContact CD1-CG1 4.25Å; Y52-I238 HydrophobicContact CD1-CG2 4.08Å; Y52-I238 HydrophobicContact CG-CG1 4.15Å
53	C	96.6	Very high	87.4	Confident	34 Å²	34	64.4 Å²	64.4	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	108.3	173.1	-176.9	0	0	0	0	109.5	D55 T56 G57 W58 M60	C53-D55 VanDerWaalsContact C-N 3.26Å; C53-D55 PolarHBondContact O-N 2.78Å; C53-T56 WeakPolarHBondContact CB-OG1 3.43Å; C53-T56 PolarHBondContact O-N 3.43Å; C53-T56 PolarHBondContact SG-OG1 3.15Å; C53-G57 WeakPolarHBondContact O-CA 3.18Å; C53-G57 PolarHBondContact O-N 2.83Å; C53-W58 PolarHBondContact N-O 3.31Å; C53-M60 HydrophobicContact CB-CG 4.05Å
54	P	94.8	Very high	89.1	Confident	43 Å²	43	68.9 Å²	68.9	28%	0.279	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.2	-179.2	-24.7	34.9	0	0	0	114.5	Y52 T56 L79	Y52-P54 HydrophobicContact CD1-CG 4.08Å; Y52-P54 VanDerWaalsContact CE1-CA 3.49Å; Y52-P54 HydrophobicContact CE1-CB 4.05Å; Y52-P54 HydrophobicContact CE1-CG 3.96Å; Y52-P54 WeakPolarHBondContact O-CD 3.36Å; P54-T56 VanDerWaalsContact C-N 3.34Å; P54-L79 HydrophobicContact CB-CB 4.15Å; P54-L79 HydrophobicContact CB-CD2 4.42Å; P54-L79 HydrophobicContact CG-CB 4.23Å; P54-L79 HydrophobicContact CG-CD2 3.75Å
55	D	91.9	Very high	90.8	Very high	138 Å²	138	65.7 Å²	65.7	74%	0.738	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-28.8	-173.8	-56.2	-37	0	0	0	111.9	C53	C53-D55 VanDerWaalsContact C-N 3.26Å; C53-D55 PolarHBondContact O-N 2.78Å
56	T	92.9	Very high	91.9	Very high	69 Å²	69	62.8 Å²	62.8	42%	0.423	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-25.9	-179.8	65.8	0	0	0	0	112.9	C53 P54 W58	C53-T56 WeakPolarHBondContact CB-OG1 3.43Å; C53-T56 PolarHBondContact O-N 3.43Å; C53-T56 PolarHBondContact SG-OG1 3.15Å; P54-T56 VanDerWaalsContact C-N 3.34Å; T56-W58 PolarHBondContact OG1-N 2.88Å
57	G	95.4	Very high	92.6	Very high	20 Å²	20	61.9 Å²	61.9	21%	0.206	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	17.1	-171.3	0	0	0	0	0	114.1	C53 F74	C53-G57 WeakPolarHBondContact O-CA 3.18Å; C53-G57 PolarHBondContact O-N 2.83Å; G57-F74 CarbonylContact O-C 3.54Å; G57-F74 WeakPolarHBondContact O-CA 3.07Å; G57-F74 PolarHBondContact O-N 2.97Å
58	W	96.1	Very high	93.2	Very high	63 Å²	63	60.9 Å²	60.9	24%	0.239	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.5	-178.9	-68.5	68.2	0	0	0	112.1	C53 T56 M60 A71 P73 C208 I213	C53-W58 PolarHBondContact N-O 3.31Å; T56-W58 PolarHBondContact OG1-N 2.88Å; W58-M60 HydrophobicContact CB-SD 4.05Å; W58-A71 HydrophobicContact CE3-CB 3.94Å; W58-P73 HydrophobicContact CD2-CG 4.48Å; W58-P73 HydrophobicContact CE3-CG 4.14Å; W58-P73 HydrophobicContact CH2-CG 3.65Å; W58-P73 HydrophobicContact CZ2-CG 4.04Å; W58-P73 HydrophobicContact CZ3-CG 3.67Å; W58-C208 WeakPolarHBondContact CZ3-SG 3.27Å; W58-I213 HydrophobicContact CD2-CD1 3.92Å; W58-I213 HydrophobicContact CE3-CD1 3.86Å; W58-I213 HydrophobicContact CG-CD1 4.34Å; W58-I213 HydrophobicContact CZ3-CD1 4.32Å
59	A	96.7	Very high	93.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.9	165.2	0	0	0	0	0	108.7	F50 A71 F72 F74 V236	F50-A59 HydrophobicContact CB-CB 3.94Å; A59-A71 CarbonylContact O-C 3.58Å; A59-A71 WeakPolarHBondContact O-CA 3.44Å; A59-A71 WeakPolarHBondContact O-CB 3.37Å; A59-F72 HydrophobicContact CB-CD1 3.98Å; A59-F72 HydrophobicContact CB-CD2 4.27Å; A59-F72 HydrophobicContact CB-CE1 3.54Å; A59-F72 HydrophobicContact CB-CE2 3.86Å; A59-F72 HydrophobicContact CB-CG 4.33Å; A59-F72 HydrophobicContact CB-CZ 3.47Å; A59-F72 VanDerWaalsContact CB-CZ 3.47Å; A59-F72 PolarHBondContact N-O 2.68Å; A59-F72 PolarHBondContact O-N 3.14Å; A59-F74 HydrophobicContact CB-CB 3.99Å; A59-F74 HydrophobicContact CB-CG 4.4Å; A59-V236 HydrophobicContact CB-CG1 3.88Å; A59-V236 HydrophobicContact CB-CG2 4.03Å
60	M	95.6	Very high	93.3	Very high	58 Å²	58	60 Å²	60	29%	0.286	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139	-172.8	-55.1	-71.1	-70.3	0	0	110.2	F50 L51 C53 W58 A71 A210 I213	F50-M60 CarbonylContact C-O 3.54Å; F50-M60 WeakPolarHBondContact CA-O 3.49Å; L51-M60 PolarHBondContact N-O 2.74Å; L51-M60 PolarHBondContact O-N 2.69Å; C53-M60 HydrophobicContact CB-CG 4.05Å; W58-M60 HydrophobicContact CB-SD 4.05Å; M60-A71 HydrophobicContact SD-CB 3.57Å; M60-A71 VanDerWaalsContact SD-CB 3.57Å; M60-A210 HydrophobicContact CE-CB 3.76Å; M60-I213 HydrophobicContact SD-CD1 4.17Å
61	G	94.8	Very high	93.2	Very high	13 Å²	13	60 Å²	60	13%	0.134	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65.1	135.9	170.9	0	0	0	0	0	110.4	F67 W70	G61-F67 WeakPolarHBondContact CA-O 3.47Å; G61-W70 PolarHBondContact N-O 2.82Å
62	P	91.8	Very high	93	Very high	29 Å²	29	56.1 Å²	56.1	19%	0.188	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-59.8	150.1	178.4	-19.8	28.9	0	0	0	112.1	H49 L51 S65	H49-P62 WeakPolarHBondContact O-CD 3.43Å; L51-P62 HydrophobicContact CD1-CB 4.36Å; L51-P62 HydrophobicContact CG-CG 4.24Å; P62-S65 WeakPolarHBondContact O-CB 3.2Å; P62-S65 PolarHBondContact O-N 2.63Å; P62-S65 PolarHBondContact O-OG 2.68Å
63	E	89.4	Confident	92.9	Very high	163 Å²	163	58.8 Å²	58.8	76%	0.762	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	147.3	165.4	-64.4	176	-176.7	0	0	110	S65	E63-S65 PolarHBondContact O-N 3.02Å
64	D	86.9	Confident	92.9	Very high	161 Å²	161	57.4 Å²	57.4	86%	0.861	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	24.7	-178.8	-57.7	-49.8	0	0	0	114.4	E68	D64-E68 PolarHBondContact N-OE2 3.27Å
65	S	88.9	Confident	93	Very high	40 Å²	40	59.6 Å²	59.6	28%	0.28	33%	0.327	S	S	.	.	S	Bend	trans	-116	162.3	176.8	82.6	0	0	0	0	112.6	P62 E63 F67 E68	P62-S65 WeakPolarHBondContact O-CB 3.2Å; P62-S65 PolarHBondContact O-N 2.63Å; P62-S65 PolarHBondContact O-OG 2.68Å; E63-S65 PolarHBondContact O-N 3.02Å; S65-F67 PolarHBondContact O-N 3.17Å; S65-F67 PolarHBondContact OG-N 2.8Å; S65-E68 VanDerWaalsContact O-CB 3.32Å; S65-E68 WeakPolarHBondContact O-CB 3.45Å; S65-E68 PolarHBondContact O-N 3.05Å; S65-E68 PolarHBondContact OG-N 3.33Å
66	E	89.1	Confident	93.3	Very high	123 Å²	123	53.9 Å²	53.9	58%	0.575	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.5	172.9	67.6	167.5	126.7	0	0	113.6	R227	E66-R227 PolarHBondContact O-NH1 2.7Å; E66-R227 IonicContact OE2-CZ 3.05Å; E66-R227 IonicContact OE2-NH2 2.8Å; E66-R227 PolarHBondContact OE2-NH2 3.03Å
67	F	90.9	Very high	93.5	Very high	5 Å²	5	51 Å²	51	2%	0.022	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	4.5	175.7	-66.3	-79	0	0	0	112.7	Y48 F50 G61 S65 G69 W70 L207 R227 V229	Y48-F67 HydrophobicContact CD1-CD2 4.46Å; Y48-F67 HydrophobicContact CD1-CE1 4.46Å; Y48-F67 AromaticContact CD1-CE2 3.23Å; Y48-F67 HydrophobicContact CD1-CE2 3.23Å; Y48-F67 AromaticContact CD1-CZ 3.22Å; Y48-F67 HydrophobicContact CD1-CZ 3.22Å; Y48-F67 HydrophobicContact CD2-CZ 4.48Å; Y48-F67 AromaticContact CE1-CE2 3.97Å; Y48-F67 HydrophobicContact CE1-CE2 3.97Å; Y48-F67 AromaticContact CE1-CZ 3.67Å; Y48-F67 HydrophobicContact CE1-CZ 3.67Å; Y48-F67 AromaticContact CG-CE2 3.83Å; Y48-F67 HydrophobicContact CG-CE2 3.83Å; Y48-F67 AromaticContact CG-CZ 3.65Å; Y48-F67 HydrophobicContact CG-CZ 3.65Å; F50-F67 HydrophobicContact CE1-CB 4.25Å; F50-F67 HydrophobicContact CE1-CD1 4.3Å; F50-F67 HydrophobicContact CE1-CG 4.41Å; F50-F67 HydrophobicContact CE2-CD1 4.42Å; F50-F67 HydrophobicContact CE2-CG 4.49Å; F50-F67 HydrophobicContact CZ-CB 4.24Å; F50-F67 AromaticContact CZ-CD1 3.63Å; F50-F67 HydrophobicContact CZ-CD1 3.63Å; F50-F67 HydrophobicContact CZ-CE1 4.16Å; F50-F67 AromaticContact CZ-CG 3.91Å; F50-F67 HydrophobicContact CZ-CG 3.91Å; G61-F67 WeakPolarHBondContact CA-O 3.47Å; S65-F67 PolarHBondContact O-N 3.17Å; S65-F67 PolarHBondContact OG-N 2.8Å; F67-G69 PolarHBondContact O-N 3.31Å; F67-W70 WeakPolarHBondContact O-CA 3.39Å; F67-W70 VanDerWaalsContact O-CB 3.28Å; F67-W70 WeakPolarHBondContact O-CB 3.49Å; F67-W70 PolarHBondContact O-N 3.36Å; F67-L207 HydrophobicContact CD1-CD1 3.71Å; F67-L207 HydrophobicContact CE1-CD1 3.72Å; F67-R227 VanDerWaalsContact CZ-NH2 3.28Å; F67-V229 HydrophobicContact CE1-CG1 3.68Å; F67-V229 HydrophobicContact CZ-CG1 3.99Å
68	E	91.1	Very high	93.7	Very high	108 Å²	108	53.3 Å²	53.3	51%	0.505	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	133.1	174.2	-172.2	177.4	164.3	0	0	110.3	D64 S65 W70	D64-E68 PolarHBondContact N-OE2 3.27Å; S65-E68 VanDerWaalsContact O-CB 3.32Å; S65-E68 WeakPolarHBondContact O-CB 3.45Å; S65-E68 PolarHBondContact O-N 3.05Å; S65-E68 PolarHBondContact OG-N 3.33Å; E68-W70 PolarHBondContact O-N 2.97Å
69	G	90.2	Very high	93.8	Very high	33 Å²	33	51.4 Å²	51.4	34%	0.34	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	4.7	-175.3	0	0	0	0	0	115.3	F67 S209 A210	F67-G69 PolarHBondContact O-N 3.31Å; G69-S209 CarbonylContact O-C 3.58Å; G69-S209 WeakPolarHBondContact O-CA 3.39Å; G69-A210 WeakPolarHBondContact O-CB 3.48Å; G69-A210 PolarHBondContact O-N 3.49Å
70	W	93.4	Very high	93.9	Very high	57 Å²	57	52.4 Å²	52.4	22%	0.216	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.3	171.1	-65	92.9	0	0	0	111.7	G61 F67 E68 L207 C208 S226 R227	G61-W70 PolarHBondContact N-O 2.82Å; F67-W70 WeakPolarHBondContact O-CA 3.39Å; F67-W70 VanDerWaalsContact O-CB 3.28Å; F67-W70 WeakPolarHBondContact O-CB 3.49Å; F67-W70 PolarHBondContact O-N 3.36Å; E68-W70 PolarHBondContact O-N 2.97Å; W70-L207 HydrophobicContact CB-CB 4.4Å; W70-L207 HydrophobicContact CB-CD1 4.27Å; W70-L207 HydrophobicContact CD2-CB 4.38Å; W70-L207 HydrophobicContact CE3-CB 3.7Å; W70-L207 HydrophobicContact CZ3-CB 4.44Å; W70-C208 CarbonylContact C-O 3.54Å; W70-C208 WeakPolarHBondContact CA-O 3.45Å; W70-S226 VanDerWaalsContact CH2-OG 3.31Å; W70-S226 WeakPolarHBondContact CH2-OG 3.26Å; W70-S226 WeakPolarHBondContact CZ3-OG 3.46Å; W70-R227 HydrophobicContact CE3-CB 4.25Å; W70-R227 HydrophobicContact CH2-CB 4.14Å; W70-R227 HydrophobicContact CZ2-CB 4.42Å; W70-R227 HydrophobicContact CZ3-CB 4.04Å
71	A	94.9	Very high	94	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	165.9	176.8	0	0	0	0	0	112.3	W58 A59 M60 L207 C208 I213	W58-A71 HydrophobicContact CE3-CB 3.94Å; A59-A71 CarbonylContact O-C 3.58Å; A59-A71 WeakPolarHBondContact O-CA 3.44Å; A59-A71 WeakPolarHBondContact O-CB 3.37Å; M60-A71 HydrophobicContact SD-CB 3.57Å; M60-A71 VanDerWaalsContact SD-CB 3.57Å; A71-L207 WeakPolarHBondContact O-CA 3.28Å; A71-C208 PolarHBondContact N-O 3.23Å; A71-C208 PolarHBondContact O-N 2.93Å; A71-C208 PolarHBondContact O-SG 3.23Å; A71-I213 HydrophobicContact CB-CD1 3.86Å
72	F	94.5	Very high	94.1	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.3	167.7	63.9	-84.2	0	0	0	111.3	F50 A59 F74 L205 L207 V234 V236	F50-F72 HydrophobicContact CB-CE1 4.21Å; F50-F72 HydrophobicContact CD1-CD1 4.04Å; F50-F72 AromaticContact CD1-CE1 3.69Å; F50-F72 HydrophobicContact CD1-CE1 3.69Å; F50-F72 AromaticContact CD2-CE1 3.78Å; F50-F72 HydrophobicContact CD2-CE1 3.78Å; F50-F72 HydrophobicContact CE1-CD1 4.01Å; F50-F72 AromaticContact CE1-CE1 3.95Å; F50-F72 HydrophobicContact CE1-CE1 3.95Å; F50-F72 HydrophobicContact CE2-CE1 4.01Å; F50-F72 HydrophobicContact CG-CD1 4.43Å; F50-F72 AromaticContact CG-CE1 3.63Å; F50-F72 HydrophobicContact CG-CE1 3.63Å; F50-F72 HydrophobicContact CG-CZ 4.5Å; F50-F72 HydrophobicContact CZ-CD1 4.34Å; F50-F72 HydrophobicContact CZ-CE1 4.1Å; A59-F72 HydrophobicContact CB-CD1 3.98Å; A59-F72 HydrophobicContact CB-CD2 4.27Å; A59-F72 HydrophobicContact CB-CE1 3.54Å; A59-F72 HydrophobicContact CB-CE2 3.86Å; A59-F72 HydrophobicContact CB-CG 4.33Å; A59-F72 HydrophobicContact CB-CZ 3.47Å; A59-F72 VanDerWaalsContact CB-CZ 3.47Å; A59-F72 PolarHBondContact N-O 2.68Å; A59-F72 PolarHBondContact O-N 3.14Å; F72-F74 AromaticContact CE2-CD2 3.83Å; F72-F74 HydrophobicContact CE2-CD2 3.83Å; F72-F74 HydrophobicContact CZ-CD2 4.47Å; F72-F74 PolarHBondContact O-N 3.48Å; F72-L205 HydrophobicContact CD2-CD1 4.25Å; F72-L205 HydrophobicContact CD2-CD2 4.11Å; F72-L205 HydrophobicContact CE1-CD1 4.26Å; F72-L205 HydrophobicContact CE2-CD1 3.72Å; F72-L205 HydrophobicContact CE2-CD2 4.15Å; F72-L205 HydrophobicContact CE2-CG 4.46Å; F72-L205 HydrophobicContact CZ-CD1 3.73Å; F72-L207 HydrophobicContact CB-CD2 4.1Å; F72-L207 HydrophobicContact CD1-CD2 3.56Å; F72-L207 HydrophobicContact CE1-CD2 4.38Å; F72-L207 HydrophobicContact CG-CD2 4.19Å; F72-V234 HydrophobicContact CE1-CG1 4.33Å; F72-V234 HydrophobicContact CZ-CG1 3.98Å; F72-V236 HydrophobicContact CE2-CG2 4.34Å; F72-V236 HydrophobicContact CZ-CG2 3.62Å
73	P	95.3	Very high	94.5	Very high	75 Å²	75	58.5 Å²	58.5	49%	0.487	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.7	177.6	-19.5	31.6	0	0	0	110.9	W58 P75	W58-P73 HydrophobicContact CD2-CG 4.48Å; W58-P73 HydrophobicContact CE3-CG 4.14Å; W58-P73 HydrophobicContact CH2-CG 3.65Å; W58-P73 HydrophobicContact CZ2-CG 4.04Å; W58-P73 HydrophobicContact CZ3-CG 3.67Å; P73-P75 WeakPolarHBondContact O-CD 3.5Å
74	F	96.8	Very high	94.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	28%	0.281	C	S	.	.			trans	-126.6	71.4	177.9	-161.9	-107.9	0	0	0	110.7	Y52 G57 A59 F72 V77 M197 V236 I238 W256	Y52-F74 HydrophobicContact CD2-CB 4.04Å; Y52-F74 AromaticContact CD2-CD1 3.67Å; Y52-F74 HydrophobicContact CD2-CD1 3.67Å; Y52-F74 HydrophobicContact CD2-CG 4.28Å; Y52-F74 HydrophobicContact CE2-CB 4.23Å; Y52-F74 HydrophobicContact CE2-CD1 4.04Å; G57-F74 CarbonylContact O-C 3.54Å; G57-F74 WeakPolarHBondContact O-CA 3.07Å; G57-F74 PolarHBondContact O-N 2.97Å; A59-F74 HydrophobicContact CB-CB 3.99Å; A59-F74 HydrophobicContact CB-CG 4.4Å; F72-F74 AromaticContact CE2-CD2 3.83Å; F72-F74 HydrophobicContact CE2-CD2 3.83Å; F72-F74 HydrophobicContact CZ-CD2 4.47Å; F72-F74 PolarHBondContact O-N 3.48Å; F74-V77 HydrophobicContact CD1-CG2 3.7Å; F74-V77 HydrophobicContact CE1-CG2 3.59Å; F74-M197 HydrophobicContact CE1-CB 4.33Å; F74-M197 HydrophobicContact CE1-CG 4.06Å; F74-M197 HydrophobicContact CZ-CB 3.76Å; F74-M197 HydrophobicContact CZ-CG 3.98Å; F74-V236 HydrophobicContact CD1-CG1 4.11Å; F74-V236 HydrophobicContact CD2-CG1 4.5Å; F74-V236 HydrophobicContact CD2-CG2 4.01Å; F74-V236 HydrophobicContact CE1-CB 4.32Å; F74-V236 HydrophobicContact CE1-CG1 4.06Å; F74-V236 HydrophobicContact CE2-CB 4.15Å; F74-V236 HydrophobicContact CE2-CG1 4.45Å; F74-V236 HydrophobicContact CE2-CG2 3.73Å; F74-V236 HydrophobicContact CG-CG1 4.32Å; F74-V236 HydrophobicContact CZ-CB 4.02Å; F74-V236 HydrophobicContact CZ-CG1 4.25Å; F74-V236 HydrophobicContact CZ-CG2 4.13Å; F74-I238 HydrophobicContact CE1-CD1 4.46Å; F74-W256 HydrophobicContact CD2-CZ2 4.35Å; F74-W256 AromaticContact CE2-CD2 3.65Å; F74-W256 HydrophobicContact CE2-CD2 3.65Å; F74-W256 AromaticContact CE2-CE2 3.54Å; F74-W256 AromaticContact CE2-CE3 3.82Å; F74-W256 HydrophobicContact CE2-CE3 3.82Å; F74-W256 HydrophobicContact CE2-CG 4.32Å; F74-W256 AromaticContact CE2-CH2 3.81Å; F74-W256 HydrophobicContact CE2-CH2 3.81Å; F74-W256 AromaticContact CE2-CZ2 3.64Å; F74-W256 HydrophobicContact CE2-CZ2 3.64Å; F74-W256 AromaticContact CE2-CZ3 3.9Å; F74-W256 HydrophobicContact CE2-CZ3 3.9Å; F74-W256 AromaticContact CZ-CD2 3.89Å; F74-W256 HydrophobicContact CZ-CD2 3.89Å; F74-W256 AromaticContact CZ-CE3 3.98Å; F74-W256 HydrophobicContact CZ-CE3 3.98Å; F74-W256 HydrophobicContact CZ-CG 4.24Å; F74-W256 HydrophobicContact CZ-CZ3 4.4Å
75	P	96.5	Very high	95.5	Very high	89 Å²	89	46 Å²	46	58%	0.578	26%	0.258	S	S	*	.			trans	-71.8	161.4	-173.9	32	-37.1	0	0	0	112.3	P73	P73-P75 WeakPolarHBondContact O-CD 3.5Å
76	G	97.6	Very high	95.9	Very high	18 Å²	18	47.4 Å²	47.4	19%	0.186	27%	0.266	C	S	.	.	S	Bend	trans	85.6	16.4	176.2	0	0	0	0	0	114.2	L248 T249 A252	G76-L248 CarbonylContact O-C 3.6Å; G76-L248 WeakPolarHBondContact O-CA 3.29Å; G76-T249 WeakPolarHBondContact CA-O 2.98Å; G76-T249 WeakPolarHBondContact CA-OG1 3.36Å; G76-T249 PolarHBondContact O-N 3.17Å; G76-A252 WeakPolarHBondContact O-CB 3.25Å
77	V	98.5	Very high	96.4	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.3	171.6	-178.5	0	0	0	0	108.7	Y52 F74 I238 L246 V247 L248 A252	Y52-V77 HydrophobicContact CD1-CG1 3.99Å; Y52-V77 HydrophobicContact CE1-CB 3.97Å; Y52-V77 HydrophobicContact CE1-CG1 3.42Å; Y52-V77 VanDerWaalsContact CE1-CG1 3.42Å; Y52-V77 HydrophobicContact CE2-CB 3.9Å; Y52-V77 HydrophobicContact CE2-CG1 4.24Å; Y52-V77 HydrophobicContact CE2-CG2 4.44Å; Y52-V77 PolarHBondContact OH-O 3.44Å; F74-V77 HydrophobicContact CD1-CG2 3.7Å; F74-V77 HydrophobicContact CE1-CG2 3.59Å; V77-I238 HydrophobicContact CG1-CD1 3.86Å; V77-I238 HydrophobicContact CG1-CG2 4.48Å; V77-I238 HydrophobicContact CG2-CD1 3.99Å; V77-L246 HydrophobicContact CG1-CD1 3.84Å; V77-V247 WeakPolarHBondContact CA-O 3.47Å; V77-L248 HydrophobicContact CB-CD2 4.47Å; V77-L248 HydrophobicContact CG1-CD2 4.29Å; V77-L248 HydrophobicContact CG2-CD2 3.9Å; V77-A252 HydrophobicContact CG2-CB 3.75Å
78	T	98.3	Very high	96.7	Very high	69 Å²	69	49.5 Å²	49.5	42%	0.423	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129	170.5	-57.3	0	0	0	0	108.7	I80 V247	T78-I80 HydrophobicContact CG2-CG1 4.32Å; T78-V247 PolarHBondContact N-O 2.83Å; T78-V247 PolarHBondContact O-N 2.99Å
79	L	98.5	Very high	97.1	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.1	177.8	-177.7	72.4	0	0	0	109.6	P54 C239 V240 L245 L246	P54-L79 HydrophobicContact CB-CB 4.15Å; P54-L79 HydrophobicContact CB-CD2 4.42Å; P54-L79 HydrophobicContact CG-CB 4.23Å; P54-L79 HydrophobicContact CG-CD2 3.75Å; L79-C239 WeakPolarHBondContact CD2-O 3.43Å; L79-V240 HydrophobicContact CD1-CG1 4.23Å; L79-L245 WeakPolarHBondContact CA-O 3.43Å; L79-L246 HydrophobicContact CD1-CB 4.39Å; L79-L246 HydrophobicContact CD1-CD1 4.43Å
80	I	98.4	Very high	97.5	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.108	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.8	176	-59.1	154.6	0	0	0	107.7	T78 F83 Y146 S244 L245	T78-I80 HydrophobicContact CG2-CG1 4.32Å; I80-F83 HydrophobicContact CB-CD2 4.45Å; I80-F83 HydrophobicContact CG2-CB 4.19Å; I80-F83 HydrophobicContact CG2-CD2 3.93Å; I80-Y146 HydrophobicContact CB-CE1 4.36Å; I80-Y146 HydrophobicContact CD1-CD1 3.4Å; I80-Y146 VanDerWaalsContact CD1-CD1 3.4Å; I80-Y146 HydrophobicContact CD1-CD2 4.32Å; I80-Y146 HydrophobicContact CD1-CE1 3.83Å; I80-Y146 HydrophobicContact CD1-CG 3.67Å; I80-Y146 HydrophobicContact CG1-CD1 3.9Å; I80-Y146 HydrophobicContact CG1-CE1 3.98Å; I80-Y146 HydrophobicContact CG2-CD1 4.23Å; I80-Y146 HydrophobicContact CG2-CE1 3.45Å; I80-Y146 VanDerWaalsContact CG2-CE1 3.45Å; I80-S244 CarbonylContact O-C 3.57Å; I80-S244 WeakPolarHBondContact O-CA 3.31Å; I80-S244 VanDerWaalsContact O-CB 3.26Å; I80-S244 WeakPolarHBondContact O-CB 3.39Å; I80-L245 HydrophobicContact CB-CB 4.2Å; I80-L245 HydrophobicContact CD1-CB 4.45Å; I80-L245 HydrophobicContact CD1-CD2 4.07Å; I80-L245 PolarHBondContact N-O 3.14Å; I80-L245 PolarHBondContact O-N 2.83Å
81	K	98.2	Very high	97.7	Very high	108 Å²	108	49 Å²	49	47%	0.47	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	153.9	176.4	-62.3	173.8	-174.3	165.5	0	110.2	F83	K81-F83 PolarHBondContact O-N 3.4Å; K81-F83 VanDerWaalsContact O-N 3.09Å
82	D	97.9	Very high	97.9	Very high	116 Å²	116	49.3 Å²	49.3	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.9	176.6	-55.4	-59.2	0	0	0	113.5	V84 R243	D82-V84 VanDerWaalsContact C-N 3.28Å; D82-V84 PolarHBondContact O-N 2.85Å; D82-R243 CarbonylContact C-O 3.45Å
83	F	98.7	Very high	98.1	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	28%	0.281	C	S	.	.			trans	-67.5	-30.1	-177.8	-179.6	-95.2	0	0	0	112.2	I80 K81 V139 R142 M143 Y146 L187 R243 L245	I80-F83 HydrophobicContact CB-CD2 4.45Å; I80-F83 HydrophobicContact CG2-CB 4.19Å; I80-F83 HydrophobicContact CG2-CD2 3.93Å; K81-F83 PolarHBondContact O-N 3.4Å; K81-F83 VanDerWaalsContact O-N 3.09Å; F83-V139 HydrophobicContact CE1-CG1 4.11Å; F83-R142 HydrophobicContact CE2-CB 4.49Å; F83-R142 HydrophobicContact CE2-CG 3.83Å; F83-R142 HydrophobicContact CZ-CB 3.94Å; F83-R142 HydrophobicContact CZ-CG 3.73Å; F83-R142 WeakPolarHBondContact O-CD 3.4Å; F83-R142 PolarHBondContact O-NH1 3.17Å; F83-M143 HydrophobicContact CE1-CG 4.45Å; F83-M143 HydrophobicContact CZ-CG 3.75Å; F83-Y146 HydrophobicContact CD2-CD2 4.41Å; F83-Y146 AromaticContact CD2-CE2 3.76Å; F83-Y146 HydrophobicContact CD2-CE2 3.76Å; F83-Y146 AromaticContact CE2-CD2 3.81Å; F83-Y146 HydrophobicContact CE2-CD2 3.81Å; F83-Y146 AromaticContact CE2-CE2 3.45Å; F83-Y146 HydrophobicContact CE2-CE2 3.45Å; F83-Y146 VanDerWaalsContact CE2-CE2 3.45Å; F83-L187 HydrophobicContact CD1-CD1 3.85Å; F83-R243 WeakPolarHBondContact CB-O 3.38Å; F83-R243 PolarHBondContact N-O 3.43Å; F83-L245 HydrophobicContact CB-CB 3.92Å; F83-L245 HydrophobicContact CD1-CB 4.09Å; F83-L245 HydrophobicContact CD1-CD1 4.11Å; F83-L245 HydrophobicContact CD1-CG 4.49Å; F83-L245 HydrophobicContact CD2-CB 3.93Å; F83-L245 HydrophobicContact CD2-CD2 4.01Å; F83-L245 HydrophobicContact CD2-CG 4.5Å; F83-L245 HydrophobicContact CE1-CD1 4.14Å; F83-L245 HydrophobicContact CE1-CD2 4.35Å; F83-L245 HydrophobicContact CE2-CD2 3.75Å; F83-L245 HydrophobicContact CG-CB 3.69Å; F83-L245 HydrophobicContact CG-CD2 4.39Å; F83-L245 HydrophobicContact CG-CG 4.44Å; F83-L245 HydrophobicContact CZ-CD2 3.96Å
84	V	98.7	Very high	98.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	29%	0.287	C	S	.	.	S	Bend	trans	-120.1	152.2	168	-64.3	0	0	0	0	110.3	D82 E88 E89 M92 V139 L187 L189 R243	D82-V84 VanDerWaalsContact C-N 3.28Å; D82-V84 PolarHBondContact O-N 2.85Å; V84-E88 WeakPolarHBondContact CA-OE2 3.45Å; V84-E88 HydrophobicContact CB-CB 4.1Å; V84-E89 HydrophobicContact CG2-CB 4.24Å; V84-M92 HydrophobicContact CG1-SD 4.45Å; V84-V139 HydrophobicContact CG1-CG2 3.87Å; V84-L187 HydrophobicContact CG1-CD1 4.22Å; V84-L187 HydrophobicContact CG1-CD2 3.98Å; V84-L187 HydrophobicContact CG2-CD1 4.26Å; V84-L189 HydrophobicContact CG2-CD2 3.89Å; V84-R243 HydrophobicContact CG2-CB 3.74Å; V84-R243 HydrophobicContact CG2-CG 3.86Å; V84-R243 PolarHBondContact N-O 3.21Å; V84-R243 WeakPolarHBondContact O-CB 3.45Å; V84-R243 WeakPolarHBondContact O-CD 3.47Å
85	T	98.6	Very high	98.3	Very high	60 Å²	60	52.7 Å²	52.7	37%	0.368	30%	0.298	S	S	.	.			trans	-76.9	163.7	174	83.2	0	0	0	0	111.1	E87 E88 E89	T85-E87 VanDerWaalsContact CB-OE2 3.32Å; T85-E87 WeakPolarHBondContact CB-OE2 3.16Å; T85-E87 PolarHBondContact O-N 2.8Å; T85-E87 PolarHBondContact OG1-N 2.58Å; T85-E87 PolarHBondContact OG1-OE2 2.98Å; T85-E88 PolarHBondContact N-OE2 3.37Å; T85-E88 PolarHBondContact O-N 3.23Å; T85-E88 PolarHBondContact OG1-N 3.14Å; T85-E89 WeakPolarHBondContact O-CB 3.35Å; T85-E89 PolarHBondContact O-N 3.02Å
86	P	98.7	Very high	98.4	Very high	69 Å²	69	48.5 Å²	48.5	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-56.2	-35.9	172.5	-26.5	36.7	0	0	0	113.8	A90	P86-A90 WeakPolarHBondContact O-CB 3.41Å; P86-A90 PolarHBondContact O-N 3.08Å
87	E	98.5	Very high	98.4	Very high	133 Å²	133	50.8 Å²	50.8	62%	0.621	28%	0.279	S	S	*	.	H	α-helix	trans	-69.1	-44.8	178.9	-59.3	69.4	-148.8	0	0	111	T85 A90 E91	T85-E87 VanDerWaalsContact CB-OE2 3.32Å; T85-E87 WeakPolarHBondContact CB-OE2 3.16Å; T85-E87 PolarHBondContact O-N 2.8Å; T85-E87 PolarHBondContact OG1-N 2.58Å; T85-E87 PolarHBondContact OG1-OE2 2.98Å; E87-A90 PolarHBondContact O-N 2.85Å; E87-E91 WeakPolarHBondContact O-CB 3.15Å; E87-E91 PolarHBondContact O-N 3.38Å
88	E	98.4	Very high	98.3	Very high	40 Å²	40	54.9 Å²	54.9	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-43.4	175.1	-67.5	178.7	144.5	0	0	111.3	V84 T85 A90 E91 M92 R142	V84-E88 WeakPolarHBondContact CA-OE2 3.45Å; V84-E88 HydrophobicContact CB-CB 4.1Å; T85-E88 PolarHBondContact N-OE2 3.37Å; T85-E88 PolarHBondContact O-N 3.23Å; T85-E88 PolarHBondContact OG1-N 3.14Å; E88-A90 PolarHBondContact O-N 3Å; E88-E91 PolarHBondContact O-N 2.54Å; E88-M92 WeakPolarHBondContact O-CB 3.42Å; E88-M92 WeakPolarHBondContact O-CG 3.3Å; E88-M92 PolarHBondContact O-N 3.36Å; E88-R142 IonicContact OE1-CZ 2.82Å; E88-R142 IonicContact OE1-NH1 3.81Å; E88-R142 IonicContact OE1-NH2 2.75Å; E88-R142 PolarHBondContact OE1-NH2 3.01Å; E88-R142 IonicContact OE2-CZ 3.14Å; E88-R142 IonicContact OE2-NH1 3.66Å; E88-R142 PolarHBondContact OE2-NH1 3.11Å; E88-R142 IonicContact OE2-NH2 2.64Å; E88-R142 PolarHBondContact OE2-NH2 2.88Å
89	E	98.8	Very high	98.2	Very high	15 Å²	15	53.7 Å²	53.7	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-47.8	174.3	168.9	170.9	-112.3	0	0	111.5	V84 T85 M92 V93 L189 L190 R243	V84-E89 HydrophobicContact CG2-CB 4.24Å; T85-E89 WeakPolarHBondContact O-CB 3.35Å; T85-E89 PolarHBondContact O-N 3.02Å; E89-M92 PolarHBondContact O-N 2.94Å; E89-V93 WeakPolarHBondContact O-CB 3.27Å; E89-V93 VanDerWaalsContact O-CG2 3.27Å; E89-V93 WeakPolarHBondContact O-CG2 3.1Å; E89-V93 PolarHBondContact O-N 2.85Å; E89-L189 HydrophobicContact CB-CD2 4.21Å; E89-L189 HydrophobicContact CG-CB 4.4Å; E89-L189 HydrophobicContact CG-CD2 4.01Å; E89-L189 VanDerWaalsContact OE1-CA 3.24Å; E89-L189 WeakPolarHBondContact OE1-CA 3.29Å; E89-L190 HydrophobicContact CG-CD2 4.47Å; E89-L190 PolarHBondContact OE1-N 2.8Å; E89-R243 HydrophobicContact CB-CG 4.05Å; E89-R243 HydrophobicContact CG-CG 4.26Å; E89-R243 VanDerWaalsContact OE1-CG 3.26Å; E89-R243 WeakPolarHBondContact OE1-CG 3.4Å; E89-R243 WeakPolarHBondContact OE2-CD 3.45Å; E89-R243 VanDerWaalsContact OE2-CG 3.26Å; E89-R243 WeakPolarHBondContact OE2-CG 3.36Å; E89-R243 IonicContact OE2-CZ 3.31Å; E89-R243 IonicContact OE2-NH1 3.82Å; E89-R243 PolarHBondContact OE2-NH1 3.47Å
90	A	98.6	Very high	98.1	Very high	61 Å²	61	57.2 Å²	57.2	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-43.7	178.7	0	0	0	0	0	112.2	P86 E87 E88 C94	P86-A90 WeakPolarHBondContact O-CB 3.41Å; P86-A90 PolarHBondContact O-N 3.08Å; E87-A90 PolarHBondContact O-N 2.85Å; E88-A90 PolarHBondContact O-N 3Å; A90-C94 VanDerWaalsContact O-CB 3.26Å; A90-C94 WeakPolarHBondContact O-CB 3.28Å; A90-C94 PolarHBondContact O-N 3.35Å
91	E	98.4	Very high	98	Very high	111 Å²	111	58.3 Å²	58.3	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-47.6	178.6	-157.7	-163	157.3	0	0	111.3	E87 E88 C94 M95	E87-E91 WeakPolarHBondContact O-CB 3.15Å; E87-E91 PolarHBondContact O-N 3.38Å; E88-E91 PolarHBondContact O-N 2.54Å; E91-C94 PolarHBondContact O-N 3.38Å; E91-M95 HydrophobicContact CB-CE 4.46Å; E91-M95 HydrophobicContact CG-CE 3.77Å; E91-M95 WeakPolarHBondContact O-CG 3.49Å; E91-M95 PolarHBondContact O-N 3.32Å
92	M	98.4	Very high	98	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.034	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-48.1	177.8	-71.8	177.4	75.6	0	0	111.7	V84 E88 E89 C94 M95 M96 F135 V139 L187	V84-M92 HydrophobicContact CG1-SD 4.45Å; E88-M92 WeakPolarHBondContact O-CB 3.42Å; E88-M92 WeakPolarHBondContact O-CG 3.3Å; E88-M92 PolarHBondContact O-N 3.36Å; E89-M92 PolarHBondContact O-N 2.94Å; M92-C94 VanDerWaalsContact C-N 3.34Å; M92-C94 PolarHBondContact O-N 2.94Å; M92-M95 PolarHBondContact O-N 3.28Å; M92-M96 HydrophobicContact CB-CE 4.5Å; M92-M96 HydrophobicContact CE-CE 4.25Å; M92-M96 VanDerWaalsContact O-CG 3.3Å; M92-M96 WeakPolarHBondContact O-CG 3.42Å; M92-M96 PolarHBondContact O-N 3.38Å; M92-F135 HydrophobicContact CE-CD2 4.01Å; M92-F135 HydrophobicContact CE-CE2 4.47Å; M92-F135 HydrophobicContact CG-CB 4.43Å; M92-F135 HydrophobicContact CG-CD2 4.37Å; M92-V139 HydrophobicContact CE-CG2 3.89Å; M92-V139 HydrophobicContact SD-CG2 3.77Å; M92-L187 HydrophobicContact CE-CD2 3.77Å; M92-L187 HydrophobicContact SD-CD2 4.2Å
93	V	98.6	Very high	97.9	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-39.5	-179.8	171.8	0	0	0	0	111	E89 M95 M96 D97 L189 L190	E89-V93 WeakPolarHBondContact O-CB 3.27Å; E89-V93 VanDerWaalsContact O-CG2 3.27Å; E89-V93 WeakPolarHBondContact O-CG2 3.1Å; E89-V93 PolarHBondContact O-N 2.85Å; V93-M95 VanDerWaalsContact C-N 3.32Å; V93-M95 PolarHBondContact O-N 2.86Å; V93-M96 PolarHBondContact O-N 2.66Å; V93-D97 WeakPolarHBondContact O-CB 3.22Å; V93-D97 PolarHBondContact O-N 2.96Å; V93-L189 HydrophobicContact CG2-CB 4.36Å; V93-L189 HydrophobicContact CG2-CD1 4.1Å; V93-L190 HydrophobicContact CB-CD2 4.44Å; V93-L190 HydrophobicContact CG1-CD1 4.09Å; V93-L190 HydrophobicContact CG1-CD2 4.24Å; V93-L190 HydrophobicContact CG2-CD1 4.31Å; V93-L190 HydrophobicContact CG2-CD2 3.89Å; V93-L190 HydrophobicContact CG2-CG 4Å
94	C	98.4	Very high	97.7	Very high	89 Å²	89	56 Å²	56	60%	0.601	32%	0.316	S	S	*	.	H	α-helix	trans	-59.7	-43.4	174.2	-175	0	0	0	0	111.6	A90 E91 M92 D97 S98	A90-C94 VanDerWaalsContact O-CB 3.26Å; A90-C94 WeakPolarHBondContact O-CB 3.28Å; A90-C94 PolarHBondContact O-N 3.35Å; E91-C94 PolarHBondContact O-N 3.38Å; M92-C94 VanDerWaalsContact C-N 3.34Å; M92-C94 PolarHBondContact O-N 2.94Å; C94-D97 PolarHBondContact O-N 2.92Å; C94-S98 PolarHBondContact O-N 2.82Å; C94-S98 VanDerWaalsContact O-N 3.1Å
95	M	97.8	Very high	97.5	Very high	52 Å²	52	59.5 Å²	59.5	26%	0.256	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-42	176.1	-73.6	-169.3	-89.7	0	0	112.2	E91 M92 V93 D97 S98 F135	E91-M95 HydrophobicContact CB-CE 4.46Å; E91-M95 HydrophobicContact CG-CE 3.77Å; E91-M95 WeakPolarHBondContact O-CG 3.49Å; E91-M95 PolarHBondContact O-N 3.32Å; M92-M95 PolarHBondContact O-N 3.28Å; V93-M95 VanDerWaalsContact C-N 3.32Å; V93-M95 PolarHBondContact O-N 2.86Å; M95-D97 VanDerWaalsContact C-N 3.32Å; M95-D97 PolarHBondContact O-N 3Å; M95-S98 WeakPolarHBondContact O-CB 3.27Å; M95-S98 PolarHBondContact O-N 2.88Å; M95-S98 PolarHBondContact O-OG 3.33Å; M95-F135 HydrophobicContact CB-CB 4.39Å; M95-F135 HydrophobicContact CB-CD1 3.7Å; M95-F135 HydrophobicContact CB-CE1 4.33Å; M95-F135 HydrophobicContact CB-CG 4.32Å; M95-F135 HydrophobicContact CE-CB 3.19Å; M95-F135 HydrophobicContact CE-CG 4.31Å; M95-F135 HydrophobicContact SD-CB 3.66Å; M95-F135 HydrophobicContact SD-CD1 4.28Å; M95-F135 HydrophobicContact SD-CG 4.46Å
96	M	98.2	Very high	97.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-42.8	173.8	-68.1	174.2	-170.9	0	0	111.6	M92 V93 S98 D99 W101 Q111 F135 N159 L189 V270 A272	M92-M96 HydrophobicContact CB-CE 4.5Å; M92-M96 HydrophobicContact CE-CE 4.25Å; M92-M96 VanDerWaalsContact O-CG 3.3Å; M92-M96 WeakPolarHBondContact O-CG 3.42Å; M92-M96 PolarHBondContact O-N 3.38Å; V93-M96 PolarHBondContact O-N 2.66Å; M96-S98 VanDerWaalsContact C-N 3.26Å; M96-S98 PolarHBondContact O-N 3.02Å; M96-D99 PolarHBondContact O-N 3.35Å; M96-W101 HydrophobicContact CB-CH2 4.47Å; M96-W101 HydrophobicContact CB-CZ2 3.86Å; M96-Q111 PolarHBondContact O-NE2 3.41Å; M96-F135 HydrophobicContact CE-CD2 4.23Å; M96-F135 HydrophobicContact CE-CE2 3.43Å; M96-F135 VanDerWaalsContact CE-CE2 3.43Å; M96-F135 HydrophobicContact CE-CZ 3.94Å; M96-F135 HydrophobicContact CG-CE1 4.09Å; M96-F135 HydrophobicContact CG-CE2 4.02Å; M96-F135 HydrophobicContact CG-CZ 3.57Å; M96-N159 HydrophobicContact SD-CB 4.42Å; M96-L189 HydrophobicContact CE-CD1 4.05Å; M96-V270 HydrophobicContact SD-CG1 3.58Å; M96-V270 VanDerWaalsContact SD-CG1 3.58Å; M96-A272 HydrophobicContact CE-CB 4.19Å
97	D	98.1	Very high	97.2	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-72.5	-17.2	-179.2	-76.1	-16.5	0	0	0	113.9	V93 C94 M95 D99 W101 R268	V93-D97 WeakPolarHBondContact O-CB 3.22Å; V93-D97 PolarHBondContact O-N 2.96Å; C94-D97 PolarHBondContact O-N 2.92Å; M95-D97 VanDerWaalsContact C-N 3.32Å; M95-D97 PolarHBondContact O-N 3Å; D97-D99 VanDerWaalsContact C-N 3.26Å; D97-W101 PolarHBondContact OD1-NE1 2.82Å; D97-R268 VanDerWaalsContact CG-NH2 3.31Å; D97-R268 IonicContact OD1-CZ 3.39Å; D97-R268 IonicContact OD1-NH1 3.56Å; D97-R268 IonicContact OD1-NH2 2.75Å; D97-R268 PolarHBondContact OD1-NH2 2.78Å; D97-R268 IonicContact OD2-CZ 3.45Å; D97-R268 IonicContact OD2-NH1 3.2Å; D97-R268 PolarHBondContact OD2-NH1 3.38Å; D97-R268 IonicContact OD2-NH2 3.57Å; D97-R268 PolarHBondContact OD2-NH2 3.45Å; D97-R268 VanDerWaalsContact OD2-NH2 3.12Å
98	S	96.9	Very high	97.1	Very high	94 Å²	94	47.9 Å²	47.9	66%	0.657	27%	0.267	S	S	*	.	H	α-helix	trans	-71.7	-22.7	172.6	78.9	0	0	0	0	113	C94 M95 M96	C94-S98 PolarHBondContact O-N 2.82Å; C94-S98 VanDerWaalsContact O-N 3.1Å; M95-S98 WeakPolarHBondContact O-CB 3.27Å; M95-S98 PolarHBondContact O-N 2.88Å; M95-S98 PolarHBondContact O-OG 3.33Å; M96-S98 VanDerWaalsContact C-N 3.26Å; M96-S98 PolarHBondContact O-N 3.02Å
99	D	95.7	Very high	97.1	Very high	44 Å²	44	50.6 Å²	50.6	24%	0.235	28%	0.276	C	S	.	.	S	Bend	trans	-99	150.8	177.6	-87.9	-37.7	0	0	0	112.2	M96 D97 W101 Q111 P305	M96-D99 PolarHBondContact O-N 3.35Å; D97-D99 VanDerWaalsContact C-N 3.26Å; D99-W101 PolarHBondContact O-N 3.11Å; D99-Q111 PolarHBondContact O-NE2 3.1Å; D99-P305 HydrophobicContact CB-CG 3.79Å; D99-P305 VanDerWaalsContact OD2-CD 3.26Å; D99-P305 WeakPolarHBondContact OD2-CD 3.48Å
100	P	95.4	Very high	97.1	Very high	98 Å²	98	53 Å²	53	64%	0.636	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-64	123.7	180	-22.7	33.8	0	0	0	113.7
101	W	97.5	Very high	97	Very high	43 Å²	43	50.1 Å²	50.1	16%	0.163	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-78.3	124.6	167.7	-73.4	102.1	0	0	0	111.8	M96 D97 D99 R109 Q111 N159 D161 V270	M96-W101 HydrophobicContact CB-CH2 4.47Å; M96-W101 HydrophobicContact CB-CZ2 3.86Å; D97-W101 PolarHBondContact OD1-NE1 2.82Å; D99-W101 PolarHBondContact O-N 3.11Å; W101-R109 HydrophobicContact CB-CB 3.92Å; W101-R109 HydrophobicContact CB-CG 4.38Å; W101-R109 HydrophobicContact CD2-CB 4.44Å; W101-R109 HydrophobicContact CE3-CB 4.06Å; W101-R109 HydrophobicContact CG-CB 4.43Å; W101-Q111 HydrophobicContact CD2-CG 4.2Å; W101-Q111 HydrophobicContact CE3-CG 3.81Å; W101-Q111 HydrophobicContact CZ3-CB 4.45Å; W101-Q111 HydrophobicContact CZ3-CG 4.03Å; W101-N159 HydrophobicContact CH2-CB 3.81Å; W101-N159 HydrophobicContact CZ3-CB 3.95Å; W101-D161 HydrophobicContact CD2-CB 4.04Å; W101-D161 HydrophobicContact CE3-CB 3.77Å; W101-D161 HydrophobicContact CH2-CB 3.76Å; W101-D161 HydrophobicContact CZ2-CB 4Å; W101-D161 HydrophobicContact CZ3-CB 3.63Å; W101-V270 HydrophobicContact CH2-CG1 4.29Å
102	K	97	Very high	96.9	Very high	94 Å²	94	46.7 Å²	46.7	41%	0.409	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.5	175.6	-65.3	-178.7	-177.4	176.4	0	111.2	S104 R109 K110 V306	K102-S104 PolarHBondContact O-N 3.4Å; K102-R109 CarbonylContact O-C 3.55Å; K102-R109 WeakPolarHBondContact O-CA 3.36Å; K102-R109 WeakPolarHBondContact O-CB 3.4Å; K102-K110 HydrophobicContact CB-CG 4.49Å; K102-K110 PolarHBondContact N-O 3.43Å; K102-K110 PolarHBondContact O-N 2.74Å; K102-V306 PolarHBondContact NZ-O 3.13Å; K102-V306 PolarHBondContact NZ-OXT 2.92Å
103	L	96.4	Very high	96.9	Very high	71 Å²	71	46.4 Å²	46.4	37%	0.372	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.7	174	-66.1	179	0	0	0	110.7	A18 R109	A18-L103 HydrophobicContact CB-CD1 3.73Å; L103-R109 HydrophobicContact CD2-CG 4.37Å
104	S	95.3	Very high	96.7	Very high	15 Å²	15	46.1 Å²	46.1	11%	0.105	25%	0.245	C	C	.	.			trans	-121.7	174.7	178.2	-167.9	0	0	0	0	110.9	G20 K102 R108	G20-S104 CarbonylContact C-O 3.44Å; G20-S104 VanDerWaalsContact CA-O 3.3Å; G20-S104 WeakPolarHBondContact CA-O 3.41Å; K102-S104 PolarHBondContact O-N 3.4Å; S104-R108 CarbonylContact C-O 3.53Å; S104-R108 WeakPolarHBondContact CA-O 3.39Å; S104-R108 WeakPolarHBondContact CB-O 3.19Å; S104-R108 PolarHBondContact N-O 2.98Å
105	Q	93.9	Very high	96.5	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	22%	0.221	S	C	.	.	S	Bend	trans	-67.5	162	178.9	-64.1	-176	-0.2	0	0	111.8	G107 R108	Q105-G107 PolarHBondContact O-N 3.19Å; Q105-G107 VanDerWaalsContact O-N 3.12Å; Q105-R108 PolarHBondContact O-N 2.94Å; Q105-R108 PolarHBondContact O-NH1 2.1Å
106	S	95.1	Very high	96.4	Very high	3 Å²	3	47 Å²	47	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	44.2	177.2	-15.9	0	0	0	0	113.1	C21 T26 R108 S168 A169 D171	C21-S106 PolarHBondContact SG-N 3.27Å; T26-S106 WeakPolarHBondContact O-CA 3.35Å; S106-R108 VanDerWaalsContact C-N 3.26Å; S106-R108 PolarHBondContact O-N 3.24Å; S106-R108 PolarHBondContact OG-NH1 3.33Å; S106-S168 CarbonylContact O-C 3.54Å; S106-S168 VanDerWaalsContact O-CA 3.22Å; S106-S168 WeakPolarHBondContact O-CA 3.26Å; S106-A169 PolarHBondContact O-N 3.37Å; S106-D171 PolarHBondContact OG-OD2 2.91Å
107	G	95.3	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-10.1	170.8	0	0	0	0	0	115.4	Q105 R166 S168	Q105-G107 PolarHBondContact O-N 3.19Å; Q105-G107 VanDerWaalsContact O-N 3.12Å; G107-R166 WeakPolarHBondContact O-CB 3.45Å; G107-R166 VanDerWaalsContact O-CD 3.28Å; G107-R166 WeakPolarHBondContact O-CD 3.5Å; G107-R166 PolarHBondContact O-NE 2.9Å; G107-S168 VanDerWaalsContact C-OG 3.25Å; G107-S168 PolarHBondContact O-OG 2.68Å; G107-S168 VanDerWaalsContact O-OG 3.08Å
108	R	97.5	Very high	96	Very high	15 Å²	15	49 Å²	49	6%	0.057	25%	0.25	C	S	.	.			trans	-72.4	164.5	-179.5	-62.1	-175.6	-63.6	-65	4.4	112.7	S104 Q105 S106 D161 Y162 A169	S104-R108 CarbonylContact C-O 3.53Å; S104-R108 WeakPolarHBondContact CA-O 3.39Å; S104-R108 WeakPolarHBondContact CB-O 3.19Å; S104-R108 PolarHBondContact N-O 2.98Å; Q105-R108 PolarHBondContact O-N 2.94Å; Q105-R108 PolarHBondContact O-NH1 2.1Å; S106-R108 VanDerWaalsContact C-N 3.26Å; S106-R108 PolarHBondContact O-N 3.24Å; S106-R108 PolarHBondContact OG-NH1 3.33Å; R108-D161 WeakPolarHBondContact CA-O 3.22Å; R108-Y162 VanDerWaalsContact CD-CZ 3.5Å; R108-Y162 HydrophobicContact CG-CD1 3.91Å; R108-Y162 HydrophobicContact CG-CE1 3.88Å; R108-Y162 HydrophobicContact CG-CG 4.41Å; R108-A169 WeakPolarHBondContact CD-O 3.4Å; R108-A169 VanDerWaalsContact CG-O 3.3Å; R108-A169 WeakPolarHBondContact CG-O 3.35Å; R108-A169 PolarHBondContact NH1-O 2.73Å
109	R	98.1	Very high	95.8	Very high	97 Å²	97	48.4 Å²	48.4	37%	0.366	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	163.8	157	-61.1	167.3	168.9	169	-5.5	109.7	W101 K102 L103 L160 D161	W101-R109 HydrophobicContact CB-CB 3.92Å; W101-R109 HydrophobicContact CB-CG 4.38Å; W101-R109 HydrophobicContact CD2-CB 4.44Å; W101-R109 HydrophobicContact CE3-CB 4.06Å; W101-R109 HydrophobicContact CG-CB 4.43Å; K102-R109 CarbonylContact O-C 3.55Å; K102-R109 WeakPolarHBondContact O-CA 3.36Å; K102-R109 WeakPolarHBondContact O-CB 3.4Å; L103-R109 HydrophobicContact CD2-CG 4.37Å; R109-L160 WeakPolarHBondContact O-CA 3.36Å; R109-D161 HydrophobicContact CB-CB 4.21Å; R109-D161 PolarHBondContact N-O 3Å; R109-D161 PolarHBondContact O-N 2.8Å
110	K	97.9	Very high	95.6	Very high	64 Å²	64	57.9 Å²	57.9	28%	0.278	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.6	-178.5	70.1	176	-175.3	148.4	0	114.3	K102 D112 N159 L160	K102-K110 HydrophobicContact CB-CG 4.49Å; K102-K110 PolarHBondContact N-O 3.43Å; K102-K110 PolarHBondContact O-N 2.74Å; K110-D112 VanDerWaalsContact CE-OD2 3.22Å; K110-D112 WeakPolarHBondContact CE-OD2 3.32Å; K110-D112 IonicContact NZ-OD1 3.21Å; K110-D112 IonicContact NZ-OD2 3.33Å; K110-D112 PolarHBondContact NZ-OD2 2.91Å; K110-N159 CarbonylContact C-O 3.56Å; K110-N159 WeakPolarHBondContact CA-O 3.49Å; K110-L160 HydrophobicContact CB-CD2 3.59Å
111	Q	98.1	Very high	95.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.3	164	-68.9	167.8	-21.9	0	0	106.9	M96 D99 W101 Y113 N159 P305	M96-Q111 PolarHBondContact O-NE2 3.41Å; D99-Q111 PolarHBondContact O-NE2 3.1Å; W101-Q111 HydrophobicContact CD2-CG 4.2Å; W101-Q111 HydrophobicContact CE3-CG 3.81Å; W101-Q111 HydrophobicContact CZ3-CB 4.45Å; W101-Q111 HydrophobicContact CZ3-CG 4.03Å; Q111-Y113 HydrophobicContact CB-CE2 3.77Å; Q111-N159 HydrophobicContact CB-CB 4.18Å; Q111-N159 PolarHBondContact N-O 3.39Å; Q111-N159 PolarHBondContact O-N 3.25Å; Q111-N159 PolarHBondContact OE1-ND2 2.73Å; Q111-N159 VanDerWaalsContact OE1-ND2 3.15Å; Q111-P305 HydrophobicContact CB-CB 3.88Å; Q111-P305 HydrophobicContact CG-CB 4.1Å; Q111-P305 HydrophobicContact CG-CG 4.49Å
112	D	96.4	Very high	95.4	Very high	38 Å²	38	62 Å²	62	20%	0.203	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.6	178.4	-59.3	-53.4	0	0	0	108.4	K110 C158 P305 V306	K110-D112 VanDerWaalsContact CE-OD2 3.22Å; K110-D112 WeakPolarHBondContact CE-OD2 3.32Å; K110-D112 IonicContact NZ-OD1 3.21Å; K110-D112 IonicContact NZ-OD2 3.33Å; K110-D112 PolarHBondContact NZ-OD2 2.91Å; D112-C158 PolarHBondContact OD1-SG 2.88Å; D112-P305 WeakPolarHBondContact O-CA 3.47Å; D112-V306 HydrophobicContact CB-CG2 4.34Å; D112-V306 VanDerWaalsContact O-CG2 3.27Å; D112-V306 WeakPolarHBondContact O-CG2 3.31Å; D112-V306 PolarHBondContact O-N 3.48Å
113	Y	97.2	Very high	95.2	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	95	174	-59.7	-101	0	0	0	107.2	Q111 P133 E156 Q157 N159 R304 P305	Q111-Y113 HydrophobicContact CB-CE2 3.77Å; Y113-P133 HydrophobicContact CD1-CB 4.08Å; Y113-P133 HydrophobicContact CD1-CG 4.03Å; Y113-P133 HydrophobicContact CD2-CG 4.25Å; Y113-P133 HydrophobicContact CE1-CB 3.66Å; Y113-P133 HydrophobicContact CE1-CG 3.93Å; Y113-P133 HydrophobicContact CE2-CG 4.19Å; Y113-P133 HydrophobicContact CG-CG 4.19Å; Y113-E156 CarbonylContact O-C 2.96Å; Y113-E156 VanDerWaalsContact O-CA 3.28Å; Y113-E156 WeakPolarHBondContact O-CA 3.48Å; Y113-Q157 WeakPolarHBondContact CB-O 3.29Å; Y113-Q157 PolarHBondContact N-O 3.49Å; Y113-Q157 PolarHBondContact O-N 3.47Å; Y113-N159 WeakPolarHBondContact CE2-ND2 3.36Å; Y113-R304 VanDerWaalsContact CE1-C 3.42Å; Y113-P305 HydrophobicContact CE1-CB 4.01Å; Y113-P305 HydrophobicContact CE1-CG 4.29Å; Y113-P305 VanDerWaalsContact CE1-N 3.25Å; Y113-P305 HydrophobicContact CE2-CB 4.1Å
114	G	95.6	Very high	95.1	Very high	6 Å²	6	61 Å²	61	6%	0.062	27%	0.273	C	S	.	.	S	Bend	trans	176	179.3	-175.2	0	0	0	0	0	112.3	F129	G114-F129 VanDerWaalsContact CA-CD2 3.42Å
115	P	94.3	Very high	94.9	Very high	12 Å²	12	67.1 Å²	67.1	8%	0.078	30%	0.297	C	S	.	.			trans	-66.8	157.7	176.2	29.7	-36.3	0	0	0	112.1	V117 L124 K125 L294	P115-V117 HydrophobicContact CG-CG2 4.36Å; P115-V117 WeakPolarHBondContact O-CG2 3.26Å; P115-V117 PolarHBondContact O-N 2.75Å; P115-L124 HydrophobicContact CB-CD1 3.6Å; P115-L124 HydrophobicContact CB-CG 4.18Å; P115-L124 HydrophobicContact CG-CD1 3.61Å; P115-L124 HydrophobicContact CG-CG 4.43Å; P115-K125 WeakPolarHBondContact CB-O 3.26Å; P115-L294 HydrophobicContact CB-CD2 3.62Å; P115-L294 HydrophobicContact CG-CD2 3.75Å
116	K	94	Very high	94.6	Very high	148 Å²	148	66.1 Å²	66.1	64%	0.643	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	118	170.9	-173	171.8	-174.1	167.9	0	110.1	K125 A127	K116-K125 PolarHBondContact N-O 3.27Å; K116-K125 PolarHBondContact O-N 3.49Å; K116-A127 HydrophobicContact CB-CB 3.54Å; K116-A127 HydrophobicContact CD-CB 4.22Å
117	V	94.1	Very high	94.2	Very high	38 Å²	38	69 Å²	69	23%	0.23	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.9	-174.5	-160.1	0	0	0	0	112	P115 F119 L124 W178 L179 W180	P115-V117 HydrophobicContact CG-CG2 4.36Å; P115-V117 WeakPolarHBondContact O-CG2 3.26Å; P115-V117 PolarHBondContact O-N 2.75Å; V117-F119 HydrophobicContact CB-CE1 4.2Å; V117-F119 HydrophobicContact CB-CE2 4.28Å; V117-F119 HydrophobicContact CB-CZ 4.03Å; V117-F119 HydrophobicContact CG1-CD1 3.64Å; V117-F119 HydrophobicContact CG1-CD2 4.41Å; V117-F119 HydrophobicContact CG1-CE1 3.55Å; V117-F119 HydrophobicContact CG1-CE2 4.31Å; V117-F119 HydrophobicContact CG1-CG 4.1Å; V117-F119 HydrophobicContact CG1-CZ 3.9Å; V117-F119 HydrophobicContact CG2-CZ 4.35Å; V117-L124 HydrophobicContact CB-CD1 4.25Å; V117-L124 HydrophobicContact CG1-CD1 4.16Å; V117-L124 HydrophobicContact CG2-CD1 3.63Å; V117-W178 HydrophobicContact CG1-CZ3 3.79Å; V117-L179 HydrophobicContact CB-CD2 4.2Å; V117-L179 HydrophobicContact CG1-CD2 3.59Å; V117-L179 HydrophobicContact CG2-CD2 3.49Å; V117-L179 VanDerWaalsContact CG2-CD2 3.49Å; V117-W180 HydrophobicContact CG2-CH2 4.35Å; V117-W180 HydrophobicContact CG2-CZ2 4.31Å
118	N	94.1	Very high	93.7	Very high	70 Å²	70	71.5 Å²	71.5	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	95.7	159.5	-174.8	-46.4	0	0	0	108.5	R120 K121 Q122 K123	N118-R120 PolarHBondContact O-N 3.12Å; N118-R120 PolarHBondContact OD1-N 2.95Å; N118-K121 PolarHBondContact O-N 2.72Å; N118-K121 WeakPolarHBondContact OD1-CB 3.4Å; N118-K121 PolarHBondContact OD1-N 2.82Å; N118-Q122 PolarHBondContact O-N 3.37Å; N118-K123 HydrophobicContact CB-CB 4.3Å; N118-K123 PolarHBondContact N-O 2.83Å; N118-K123 PolarHBondContact O-N 2.9Å
119	F	92.6	Very high	93.4	Very high	83 Å²	83	71.4 Å²	71.4	36%	0.364	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57.9	-48.1	-176.5	-63.6	-67.2	0	0	0	112.5	V117 K121 Q122 D176 W178 L179 W180	V117-F119 HydrophobicContact CB-CE1 4.2Å; V117-F119 HydrophobicContact CB-CE2 4.28Å; V117-F119 HydrophobicContact CB-CZ 4.03Å; V117-F119 HydrophobicContact CG1-CD1 3.64Å; V117-F119 HydrophobicContact CG1-CD2 4.41Å; V117-F119 HydrophobicContact CG1-CE1 3.55Å; V117-F119 HydrophobicContact CG1-CE2 4.31Å; V117-F119 HydrophobicContact CG1-CG 4.1Å; V117-F119 HydrophobicContact CG1-CZ 3.9Å; V117-F119 HydrophobicContact CG2-CZ 4.35Å; F119-K121 PolarHBondContact O-N 2.81Å; F119-K121 VanDerWaalsContact O-N 3.15Å; F119-Q122 PolarHBondContact O-N 3.44Å; F119-D176 WeakPolarHBondContact CB-OD2 3.47Å; F119-D176 HydrophobicContact CD1-CB 3.41Å; F119-D176 VanDerWaalsContact CD1-CB 3.41Å; F119-D176 WeakPolarHBondContact CD1-OD1 3.23Å; F119-D176 WeakPolarHBondContact CD1-OD2 3.24Å; F119-D176 HydrophobicContact CE1-CB 3.53Å; F119-D176 HydrophobicContact CG-CB 4.09Å; F119-D176 HydrophobicContact CZ-CB 4.32Å; F119-W178 HydrophobicContact CD1-CE3 4.3Å; F119-W178 HydrophobicContact CD1-CZ3 4.47Å; F119-L179 HydrophobicContact CE1-CB 4.26Å; F119-L179 HydrophobicContact CE1-CD2 4.24Å; F119-W180 HydrophobicContact CE1-CZ2 4.31Å; F119-W180 AromaticContact CE1-NE1 3.81Å; F119-W180 HydrophobicContact CZ-CZ2 4.11Å; F119-W180 AromaticContact CZ-NE1 3.76Å
120	R	91.7	Very high	93.1	Very high	242 Å²	242	72.7 Å²	72.7	91%	0.913	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-57.6	-35.4	-179.6	-174.4	177.2	179.5	-174.2	1.5	113.4	N118	N118-R120 PolarHBondContact O-N 3.12Å; N118-R120 PolarHBondContact OD1-N 2.95Å
121	K	94.5	Very high	93.1	Very high	138 Å²	138	69.7 Å²	69.7	60%	0.6	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-97.7	0.6	179.9	-64.4	-173.2	178	-176.6	0	112.9	N118 F119 K123	N118-K121 PolarHBondContact O-N 2.72Å; N118-K121 WeakPolarHBondContact OD1-CB 3.4Å; N118-K121 PolarHBondContact OD1-N 2.82Å; F119-K121 PolarHBondContact O-N 2.81Å; F119-K121 VanDerWaalsContact O-N 3.15Å; K121-K123 HydrophobicContact CB-CD 4.18Å; K121-K123 HydrophobicContact CB-CG 4.02Å; K121-K123 WeakPolarHBondContact O-CG 3.36Å; K121-K123 PolarHBondContact O-N 3.24Å
122	Q	94.1	Very high	93.1	Very high	90 Å²	90	69.6 Å²	69.6	42%	0.421	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	47.1	-172.1	-65.8	-174.2	-31.5	0	0	112.3	N118 F119 W178 R287	N118-Q122 PolarHBondContact O-N 3.37Å; F119-Q122 PolarHBondContact O-N 3.44Å; Q122-W178 VanDerWaalsContact CA-CZ2 3.5Å; Q122-W178 HydrophobicContact CB-CD2 3.87Å; Q122-W178 HydrophobicContact CB-CE3 4.21Å; Q122-W178 HydrophobicContact CB-CH2 3.95Å; Q122-W178 HydrophobicContact CB-CZ2 3.54Å; Q122-W178 HydrophobicContact CB-CZ3 4.26Å; Q122-W178 HydrophobicContact CG-CD2 3.56Å; Q122-W178 HydrophobicContact CG-CE3 3.98Å; Q122-W178 HydrophobicContact CG-CG 3.82Å; Q122-W178 HydrophobicContact CG-CZ2 4.22Å; Q122-W178 HydrophobicContact CG-CZ3 4.49Å; Q122-W178 VanDerWaalsContact NE2-CG 3.29Å; Q122-W178 WeakPolarHBondContact O-CH2 3.47Å; Q122-W178 VanDerWaalsContact O-CZ2 3.29Å; Q122-W178 WeakPolarHBondContact O-CZ2 3.4Å; Q122-R287 PolarHBondContact O-NH1 3.3Å; Q122-R287 PolarHBondContact O-NH2 3.06Å
123	K	93.8	Very high	93.2	Very high	128 Å²	128	68 Å²	68	56%	0.557	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.2	179.1	-70.6	-174	-179.9	-168.6	0	110.6	N118 K121	N118-K123 HydrophobicContact CB-CB 4.3Å; N118-K123 PolarHBondContact N-O 2.83Å; N118-K123 PolarHBondContact O-N 2.9Å; K121-K123 HydrophobicContact CB-CD 4.18Å; K121-K123 HydrophobicContact CB-CG 4.02Å; K121-K123 WeakPolarHBondContact O-CG 3.36Å; K121-K123 PolarHBondContact O-N 3.24Å
124	L	93.6	Very high	93.2	Very high	17 Å²	17	71.5 Å²	71.5	9%	0.089	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.7	-177.2	-168.4	62.5	0	0	0	109.6	P115 V117 W178 L179 F281 L290 L294	P115-L124 HydrophobicContact CB-CD1 3.6Å; P115-L124 HydrophobicContact CB-CG 4.18Å; P115-L124 HydrophobicContact CG-CD1 3.61Å; P115-L124 HydrophobicContact CG-CG 4.43Å; V117-L124 HydrophobicContact CB-CD1 4.25Å; V117-L124 HydrophobicContact CG1-CD1 4.16Å; V117-L124 HydrophobicContact CG2-CD1 3.63Å; L124-W178 HydrophobicContact CB-CH2 4.3Å; L124-L179 HydrophobicContact CD1-CD1 4.25Å; L124-L179 HydrophobicContact CD1-CD2 3.68Å; L124-L179 HydrophobicContact CD2-CD1 3.62Å; L124-F281 HydrophobicContact CD2-CD1 4.17Å; L124-F281 HydrophobicContact CD2-CE1 3.47Å; L124-F281 VanDerWaalsContact CD2-CE1 3.47Å; L124-F281 HydrophobicContact CD2-CZ 4.01Å; L124-L290 HydrophobicContact CB-CD2 4.08Å; L124-L290 HydrophobicContact CD2-CD2 3.86Å; L124-L290 HydrophobicContact CD2-CG 4.32Å; L124-L290 HydrophobicContact CG-CD2 4.23Å; L124-L294 HydrophobicContact CD2-CD1 3.45Å; L124-L294 VanDerWaalsContact CD2-CD1 3.45Å; L124-L294 HydrophobicContact CG-CD1 4.36Å
125	K	91.4	Very high	93.2	Very high	143 Å²	143	72.2 Å²	72.2	62%	0.622	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.4	176.9	-64.1	-172.7	176.5	-168.1	0	110.2	P115 K116 A127	P115-K125 WeakPolarHBondContact CB-O 3.26Å; K116-K125 PolarHBondContact N-O 3.27Å; K116-K125 PolarHBondContact O-N 3.49Å; K125-A127 VanDerWaalsContact C-N 3.29Å; K125-A127 HydrophobicContact CB-CB 4.28Å; K125-A127 PolarHBondContact O-N 2.96Å
126	M	87.8	Confident	93.4	Very high	52 Å²	52	71.7 Å²	71.7	26%	0.256	35%	0.354	S	S	.	.			trans	-56.9	-43.1	173.1	-66.1	-61.3	-79.3	0	0	111.6	G128 F129 L294 A297	M126-G128 PolarHBondContact O-N 2.83Å; M126-F129 HydrophobicContact CE-CD1 4.19Å; M126-F129 WeakPolarHBondContact O-CB 3.46Å; M126-F129 PolarHBondContact O-N 2.85Å; M126-L294 HydrophobicContact CE-CD2 4.3Å; M126-L294 HydrophobicContact SD-CD2 3.29Å; M126-L294 WeakPolarHBondContact SD-CD2 3.29Å; M126-L294 HydrophobicContact SD-CG 3.79Å; M126-A297 HydrophobicContact CE-CB 3.57Å
127	A	86.4	Confident	93.6	Very high	64 Å²	64	68.5 Å²	68.5	53%	0.529	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	35.5	170.3	0	0	0	0	0	115.6	K116 K125	K116-A127 HydrophobicContact CB-CB 3.54Å; K116-A127 HydrophobicContact CD-CB 4.22Å; K125-A127 VanDerWaalsContact C-N 3.29Å; K125-A127 HydrophobicContact CB-CB 4.28Å; K125-A127 PolarHBondContact O-N 2.96Å
128	G	83.7	Confident	93.7	Very high	54 Å²	54	73.3 Å²	73.3	56%	0.557	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	10.3	-178.2	0	0	0	0	0	114.7	M126 Q130	M126-G128 PolarHBondContact O-N 2.83Å; G128-Q130 PolarHBondContact O-N 2.89Å; G128-Q130 VanDerWaalsContact O-N 3.14Å
129	F	92.8	Very high	93.9	Very high	13 Å²	13	70.1 Å²	70.1	6%	0.057	34%	0.343	C	S	.	.			trans	-61.3	112	168.6	179.3	-125.9	0	0	0	109.9	G114 M126 G131 L132 V155 L294 A297 A298	G114-F129 VanDerWaalsContact CA-CD2 3.42Å; M126-F129 HydrophobicContact CE-CD1 4.19Å; M126-F129 WeakPolarHBondContact O-CB 3.46Å; M126-F129 PolarHBondContact O-N 2.85Å; F129-G131 WeakPolarHBondContact CE2-O 3.45Å; F129-L132 HydrophobicContact CE2-CD2 4.49Å; F129-L132 HydrophobicContact CZ-CD2 4.35Å; F129-V155 VanDerWaalsContact CZ-O 3.25Å; F129-V155 WeakPolarHBondContact CZ-O 3.32Å; F129-L294 HydrophobicContact CD1-CD2 4.12Å; F129-L294 HydrophobicContact CE1-CD2 4.37Å; F129-A297 HydrophobicContact CD1-CB 4.01Å; F129-A297 HydrophobicContact CE1-CB 4.07Å; F129-A298 HydrophobicContact CE1-CB 3.91Å; F129-A298 HydrophobicContact CZ-CB 3.75Å
130	Q	92.1	Very high	94.2	Very high	124 Å²	124	66.8 Å²	66.8	58%	0.579	33%	0.329	S	S	*	.			trans	-105.6	-7.1	-178.4	-72.3	173.6	8	0	0	112.8	G128 S300	G128-Q130 PolarHBondContact O-N 2.89Å; G128-Q130 VanDerWaalsContact O-N 3.14Å; Q130-S300 PolarHBondContact O-OG 2.9Å
131	G	97	Very high	94.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.			trans	144.8	-177.3	174.6	0	0	0	0	0	113.2	F129 A297 G303	F129-G131 WeakPolarHBondContact CE2-O 3.45Å; G131-A297 WeakPolarHBondContact CA-O 3.49Å; G131-G303 WeakPolarHBondContact O-CA 3.46Å
132	L	98	Very high	94.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-72.6	162.9	165.6	-61.7	-174.6	0	0	0	109.9	F129 P154 Q157 A298 F301 Q302 G303	F129-L132 HydrophobicContact CE2-CD2 4.49Å; F129-L132 HydrophobicContact CZ-CD2 4.35Å; L132-P154 HydrophobicContact CD1-CB 4.13Å; L132-P154 HydrophobicContact CD1-CG 3.8Å; L132-Q157 HydrophobicContact CD2-CB 3.81Å; L132-A298 HydrophobicContact CG-CB 4.17Å; L132-A298 WeakPolarHBondContact CG-O 3.32Å; L132-A298 PolarHBondContact N-O 2.73Å; L132-F301 HydrophobicContact CB-CD1 3.84Å; L132-F301 HydrophobicContact CB-CE1 4Å; L132-F301 HydrophobicContact CD1-CE1 4.12Å; L132-F301 CarbonylContact O-C 3.56Å; L132-F301 WeakPolarHBondContact O-CA 3.38Å; L132-Q302 PolarHBondContact O-N 2.68Å; L132-G303 WeakPolarHBondContact O-CA 3.37Å; L132-G303 PolarHBondContact O-N 2.83Å
133	P	97.6	Very high	94.9	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.026	28%	0.276	C	S	.	.			trans	-71.8	148	177	27.4	-32.2	0	0	0	112	Y113 F135 S136 Q157	Y113-P133 HydrophobicContact CD1-CB 4.08Å; Y113-P133 HydrophobicContact CD1-CG 4.03Å; Y113-P133 HydrophobicContact CD2-CG 4.25Å; Y113-P133 HydrophobicContact CE1-CB 3.66Å; Y113-P133 HydrophobicContact CE1-CG 3.93Å; Y113-P133 HydrophobicContact CE2-CG 4.19Å; Y113-P133 HydrophobicContact CG-CG 4.19Å; P133-F135 VanDerWaalsContact C-N 3.26Å; P133-F135 HydrophobicContact CB-CD1 3.72Å; P133-F135 HydrophobicContact CB-CD2 4.43Å; P133-F135 HydrophobicContact CB-CE1 3.37Å; P133-F135 HydrophobicContact CB-CE2 4.13Å; P133-F135 HydrophobicContact CB-CG 4.24Å; P133-F135 HydrophobicContact CB-CZ 3.58Å; P133-F135 HydrophobicContact CG-CD1 4.32Å; P133-F135 HydrophobicContact CG-CD2 4.21Å; P133-F135 HydrophobicContact CG-CE1 3.78Å; P133-F135 HydrophobicContact CG-CE2 3.64Å; P133-F135 HydrophobicContact CG-CZ 3.38Å; P133-F135 PolarHBondContact O-N 3.34Å; P133-S136 WeakPolarHBondContact O-CB 3.42Å; P133-S136 PolarHBondContact O-N 2.83Å; P133-Q157 VanDerWaalsContact CG-OE1 3.3Å
134	S	97.3	Very high	95.1	Very high	76 Å²	76	48.7 Å²	48.7	53%	0.531	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.2	-177.7	56.3	0	0	0	0	113.7	S136 Q137 F301	S134-S136 PolarHBondContact O-N 2.79Å; S134-S136 VanDerWaalsContact O-N 3.12Å; S134-Q137 WeakPolarHBondContact O-CB 3.36Å; S134-Q137 PolarHBondContact O-N 2.99Å; S134-F301 WeakPolarHBondContact CA-O 3.45Å; S134-F301 PolarHBondContact N-O 3.33Å
135	F	96.5	Very high	95.2	Very high	21 Å²	21	53.5 Å²	53.5	9%	0.092	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-63.3	-18	179.1	62.4	-109.9	0	0	0	114.2	M92 M95 M96 P133	M92-F135 HydrophobicContact CE-CD2 4.01Å; M92-F135 HydrophobicContact CE-CE2 4.47Å; M92-F135 HydrophobicContact CG-CB 4.43Å; M92-F135 HydrophobicContact CG-CD2 4.37Å; M95-F135 HydrophobicContact CB-CB 4.39Å; M95-F135 HydrophobicContact CB-CD1 3.7Å; M95-F135 HydrophobicContact CB-CE1 4.33Å; M95-F135 HydrophobicContact CB-CG 4.32Å; M95-F135 HydrophobicContact CE-CB 3.19Å; M95-F135 HydrophobicContact CE-CG 4.31Å; M95-F135 HydrophobicContact SD-CB 3.66Å; M95-F135 HydrophobicContact SD-CD1 4.28Å; M95-F135 HydrophobicContact SD-CG 4.46Å; M96-F135 HydrophobicContact CE-CD2 4.23Å; M96-F135 HydrophobicContact CE-CE2 3.43Å; M96-F135 VanDerWaalsContact CE-CE2 3.43Å; M96-F135 HydrophobicContact CE-CZ 3.94Å; M96-F135 HydrophobicContact CG-CE1 4.09Å; M96-F135 HydrophobicContact CG-CE2 4.02Å; M96-F135 HydrophobicContact CG-CZ 3.57Å; P133-F135 VanDerWaalsContact C-N 3.26Å; P133-F135 HydrophobicContact CB-CD1 3.72Å; P133-F135 HydrophobicContact CB-CD2 4.43Å; P133-F135 HydrophobicContact CB-CE1 3.37Å; P133-F135 HydrophobicContact CB-CE2 4.13Å; P133-F135 HydrophobicContact CB-CG 4.24Å; P133-F135 HydrophobicContact CB-CZ 3.58Å; P133-F135 HydrophobicContact CG-CD1 4.32Å; P133-F135 HydrophobicContact CG-CD2 4.21Å; P133-F135 HydrophobicContact CG-CE1 3.78Å; P133-F135 HydrophobicContact CG-CE2 3.64Å; P133-F135 HydrophobicContact CG-CZ 3.38Å; P133-F135 PolarHBondContact O-N 3.34Å
136	S	97.7	Very high	95.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-88.6	-9.4	177.6	-65.7	0	0	0	0	113.5	P133 S134 K138 V139 V140 Q157	P133-S136 WeakPolarHBondContact O-CB 3.42Å; P133-S136 PolarHBondContact O-N 2.83Å; S134-S136 PolarHBondContact O-N 2.79Å; S134-S136 VanDerWaalsContact O-N 3.12Å; S136-K138 PolarHBondContact O-N 3.45Å; S136-V139 WeakPolarHBondContact O-CB 3.48Å; S136-V139 PolarHBondContact O-N 2.95Å; S136-V140 WeakPolarHBondContact O-CG2 3.36Å; S136-V140 PolarHBondContact O-N 2.91Å; S136-Q157 VanDerWaalsContact CB-OE1 3.24Å; S136-Q157 PolarHBondContact OG-NE2 2.79Å; S136-Q157 VanDerWaalsContact OG-NE2 3.08Å; S136-Q157 PolarHBondContact OG-OE1 3.39Å
137	Q	97.9	Very high	95.8	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-58.5	-51.6	-173.8	-174.3	174.8	22.3	0	0	112.4	S134 V139 V140 Q141 F301	S134-Q137 WeakPolarHBondContact O-CB 3.36Å; S134-Q137 PolarHBondContact O-N 2.99Å; Q137-V139 VanDerWaalsContact C-N 3.31Å; Q137-V139 PolarHBondContact O-N 3.25Å; Q137-V140 PolarHBondContact O-N 3.03Å; Q137-Q141 WeakPolarHBondContact O-CB 3.23Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.35Å; Q137-Q141 PolarHBondContact O-N 3.43Å; Q137-F301 VanDerWaalsContact CA-CE1 3.46Å; Q137-F301 HydrophobicContact CB-CB 4.2Å; Q137-F301 HydrophobicContact CB-CD1 3.74Å; Q137-F301 HydrophobicContact CB-CD2 4.03Å; Q137-F301 HydrophobicContact CB-CE1 4.09Å; Q137-F301 HydrophobicContact CB-CE2 4.35Å; Q137-F301 HydrophobicContact CB-CG 3.71Å; Q137-F301 HydrophobicContact CB-CZ 4.37Å; Q137-F301 HydrophobicContact CG-CD1 4.32Å; Q137-F301 HydrophobicContact CG-CD2 3.69Å; Q137-F301 HydrophobicContact CG-CE1 4.5Å; Q137-F301 HydrophobicContact CG-CE2 3.9Å; Q137-F301 HydrophobicContact CG-CG 3.91Å; Q137-F301 HydrophobicContact CG-CZ 4.3Å
138	K	97.6	Very high	96.2	Very high	138 Å²	138	52.2 Å²	52.2	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-38.2	178.7	-66.6	-179.3	-177.6	171.6	0	111.9	S136 Q141 R142	S136-K138 PolarHBondContact O-N 3.45Å; K138-Q141 PolarHBondContact O-N 3.12Å; K138-R142 WeakPolarHBondContact O-CB 3.18Å; K138-R142 PolarHBondContact O-N 2.86Å
139	V	98.1	Very high	96.9	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-48.8	177.8	157.7	0	0	0	0	111	F83 V84 M92 S136 Q137 R142 M143 L187 F274	F83-V139 HydrophobicContact CE1-CG1 4.11Å; V84-V139 HydrophobicContact CG1-CG2 3.87Å; M92-V139 HydrophobicContact CE-CG2 3.89Å; M92-V139 HydrophobicContact SD-CG2 3.77Å; S136-V139 WeakPolarHBondContact O-CB 3.48Å; S136-V139 PolarHBondContact O-N 2.95Å; Q137-V139 VanDerWaalsContact C-N 3.31Å; Q137-V139 PolarHBondContact O-N 3.25Å; V139-R142 PolarHBondContact O-N 3.35Å; V139-M143 HydrophobicContact CG1-CE 3.48Å; V139-M143 VanDerWaalsContact CG1-CE 3.48Å; V139-M143 WeakPolarHBondContact O-CG 3.5Å; V139-M143 PolarHBondContact O-N 3.2Å; V139-L187 HydrophobicContact CG1-CD2 4.06Å; V139-L187 HydrophobicContact CG2-CD2 4.19Å; V139-F274 HydrophobicContact CG1-CE2 4.23Å; V139-F274 HydrophobicContact CG1-CZ 3.99Å
140	V	98.3	Very high	97.1	Very high	12 Å²	12	55 Å²	55	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-40.5	178.5	172.8	0	0	0	0	111.3	S136 Q137 R142 M143 P154 F274 F301	S136-V140 WeakPolarHBondContact O-CG2 3.36Å; S136-V140 PolarHBondContact O-N 2.91Å; Q137-V140 PolarHBondContact O-N 3.03Å; V140-R142 VanDerWaalsContact C-N 3.34Å; V140-R142 PolarHBondContact O-N 2.86Å; V140-M143 HydrophobicContact CG2-SD 4.42Å; V140-M143 WeakPolarHBondContact O-CB 3.48Å; V140-M143 PolarHBondContact O-N 2.95Å; V140-P154 HydrophobicContact CB-CG 4.46Å; V140-P154 HydrophobicContact CG1-CG 3.72Å; V140-P154 HydrophobicContact CG2-CG 3.8Å; V140-F274 HydrophobicContact CG2-CD1 4.05Å; V140-F274 HydrophobicContact CG2-CE1 3.81Å; V140-F301 HydrophobicContact CB-CE1 4.2Å; V140-F301 HydrophobicContact CB-CZ 4Å; V140-F301 HydrophobicContact CG1-CZ 4.08Å; V140-F301 HydrophobicContact CG2-CE1 4.1Å; V140-F301 HydrophobicContact CG2-CZ 4.34Å
141	Q	98	Very high	97.3	Very high	119 Å²	119	54.2 Å²	54.2	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-61.8	-41.8	174	-73	171.1	-12.5	0	0	112.1	Q137 K138 M143 G144	Q137-Q141 WeakPolarHBondContact O-CB 3.23Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.35Å; Q137-Q141 PolarHBondContact O-N 3.43Å; K138-Q141 PolarHBondContact O-N 3.12Å; Q141-M143 VanDerWaalsContact C-N 3.33Å; Q141-M143 PolarHBondContact O-N 3.08Å; Q141-G144 PolarHBondContact O-N 3.27Å
142	R	98.4	Very high	97.4	Very high	69 Å²	69	54.7 Å²	54.7	26%	0.26	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-36	176.7	-177.4	-178.4	-63.2	154.8	5.6	112.2	F83 E88 K138 V139 V140 G144 V145 Y146	F83-R142 HydrophobicContact CE2-CB 4.49Å; F83-R142 HydrophobicContact CE2-CG 3.83Å; F83-R142 HydrophobicContact CZ-CB 3.94Å; F83-R142 HydrophobicContact CZ-CG 3.73Å; F83-R142 WeakPolarHBondContact O-CD 3.4Å; F83-R142 PolarHBondContact O-NH1 3.17Å; E88-R142 IonicContact OE1-CZ 2.82Å; E88-R142 IonicContact OE1-NH1 3.81Å; E88-R142 IonicContact OE1-NH2 2.75Å; E88-R142 PolarHBondContact OE1-NH2 3.01Å; E88-R142 IonicContact OE2-CZ 3.14Å; E88-R142 IonicContact OE2-NH1 3.66Å; E88-R142 PolarHBondContact OE2-NH1 3.11Å; E88-R142 IonicContact OE2-NH2 2.64Å; E88-R142 PolarHBondContact OE2-NH2 2.88Å; K138-R142 WeakPolarHBondContact O-CB 3.18Å; K138-R142 PolarHBondContact O-N 2.86Å; V139-R142 PolarHBondContact O-N 3.35Å; V140-R142 VanDerWaalsContact C-N 3.34Å; V140-R142 PolarHBondContact O-N 2.86Å; R142-G144 PolarHBondContact O-N 3.31Å; R142-V145 WeakPolarHBondContact O-CB 3.07Å; R142-V145 PolarHBondContact O-N 3.14Å; R142-V145 VanDerWaalsContact O-N 3.1Å; R142-Y146 HydrophobicContact CG-CE2 4.16Å; R142-Y146 WeakPolarHBondContact O-CD2 3.3Å
143	M	98.4	Very high	97.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-53.8	-42.6	175.7	-69.8	168.2	-172.6	0	0	111.1	F83 V139 V140 Q141 V145 Y146 L149 F152 V185 L245 F274	F83-M143 HydrophobicContact CE1-CG 4.45Å; F83-M143 HydrophobicContact CZ-CG 3.75Å; V139-M143 HydrophobicContact CG1-CE 3.48Å; V139-M143 VanDerWaalsContact CG1-CE 3.48Å; V139-M143 WeakPolarHBondContact O-CG 3.5Å; V139-M143 PolarHBondContact O-N 3.2Å; V140-M143 HydrophobicContact CG2-SD 4.42Å; V140-M143 WeakPolarHBondContact O-CB 3.48Å; V140-M143 PolarHBondContact O-N 2.95Å; Q141-M143 VanDerWaalsContact C-N 3.33Å; Q141-M143 PolarHBondContact O-N 3.08Å; M143-V145 PolarHBondContact O-N 2.73Å; M143-Y146 PolarHBondContact O-N 3.1Å; M143-L149 HydrophobicContact CB-CD1 4Å; M143-L149 HydrophobicContact CG-CD1 4.37Å; M143-L149 WeakPolarHBondContact O-CB 3.48Å; M143-F152 HydrophobicContact SD-CD1 3.96Å; M143-F152 HydrophobicContact SD-CE1 3.82Å; M143-V185 HydrophobicContact CE-CG1 3.82Å; M143-V185 HydrophobicContact SD-CG1 3.98Å; M143-L245 HydrophobicContact CE-CD1 3.79Å; M143-L245 HydrophobicContact CG-CD2 3.98Å; M143-F274 HydrophobicContact CE-CD2 3.48Å; M143-F274 VanDerWaalsContact CE-CD2 3.48Å; M143-F274 HydrophobicContact CE-CE2 3.52Å; M143-F274 HydrophobicContact CE-CG 4.03Å; M143-F274 HydrophobicContact CE-CZ 4.09Å
144	G	97.6	Very high	97.4	Very high	30 Å²	30	58.9 Å²	58.9	31%	0.309	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-5.6	-179.9	0	0	0	0	0	116.1	Q141 R142 L149 E150	Q141-G144 PolarHBondContact O-N 3.27Å; R142-G144 PolarHBondContact O-N 3.31Å; G144-L149 WeakPolarHBondContact CA-O 3.48Å; G144-E150 WeakPolarHBondContact O-CA 3.22Å
145	V	97.1	Very high	97.4	Very high	119 Å²	119	55.3 Å²	55.3	72%	0.721	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-18	174.7	-175.8	0	0	0	0	111.7	R142 M143	R142-V145 WeakPolarHBondContact O-CB 3.07Å; R142-V145 PolarHBondContact O-N 3.14Å; R142-V145 VanDerWaalsContact O-N 3.1Å; M143-V145 PolarHBondContact O-N 2.73Å
146	Y	97.1	Very high	97.5	Very high	75 Å²	75	54.9 Å²	54.9	29%	0.294	29%	0.291	S	S	.	.	S	Bend	trans	-89.2	140.8	-176.7	-74.8	-94.8	0	0	0	111.8	I80 F83 R142 M143 G148 L149	I80-Y146 HydrophobicContact CB-CE1 4.36Å; I80-Y146 HydrophobicContact CD1-CD1 3.4Å; I80-Y146 VanDerWaalsContact CD1-CD1 3.4Å; I80-Y146 HydrophobicContact CD1-CD2 4.32Å; I80-Y146 HydrophobicContact CD1-CE1 3.83Å; I80-Y146 HydrophobicContact CD1-CG 3.67Å; I80-Y146 HydrophobicContact CG1-CD1 3.9Å; I80-Y146 HydrophobicContact CG1-CE1 3.98Å; I80-Y146 HydrophobicContact CG2-CD1 4.23Å; I80-Y146 HydrophobicContact CG2-CE1 3.45Å; I80-Y146 VanDerWaalsContact CG2-CE1 3.45Å; F83-Y146 HydrophobicContact CD2-CD2 4.41Å; F83-Y146 AromaticContact CD2-CE2 3.76Å; F83-Y146 HydrophobicContact CD2-CE2 3.76Å; F83-Y146 AromaticContact CE2-CD2 3.81Å; F83-Y146 HydrophobicContact CE2-CD2 3.81Å; F83-Y146 AromaticContact CE2-CE2 3.45Å; F83-Y146 HydrophobicContact CE2-CE2 3.45Å; F83-Y146 VanDerWaalsContact CE2-CE2 3.45Å; R142-Y146 HydrophobicContact CG-CE2 4.16Å; R142-Y146 WeakPolarHBondContact O-CD2 3.3Å; M143-Y146 PolarHBondContact O-N 3.1Å; Y146-G148 PolarHBondContact O-N 3.28Å; Y146-L149 PolarHBondContact O-N 3.48Å
147	P	95	Very high	97.5	Very high	112 Å²	112	54.9 Å²	54.9	73%	0.727	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	130.4	175.2	-27.4	35.2	0	0	0	112.7	E150	P147-E150 WeakPolarHBondContact CA-OE1 3.33Å
148	G	94.8	Very high	97.5	Very high	45 Å²	45	51.5 Å²	51.5	46%	0.464	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-4.5	-178.5	0	0	0	0	0	115	Y146 E150 R183	Y146-G148 PolarHBondContact O-N 3.28Å; G148-E150 VanDerWaalsContact CA-OE2 3.26Å; G148-E150 WeakPolarHBondContact CA-OE2 3.3Å; G148-E150 PolarHBondContact N-OE1 3.12Å; G148-E150 PolarHBondContact N-OE2 3.09Å; G148-R183 VanDerWaalsContact O-CD 3.26Å; G148-R183 WeakPolarHBondContact O-CD 3.22Å; G148-R183 PolarHBondContact O-NH1 3.49Å
149	L	98.1	Very high	97.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	25%	0.247	C	C	.	.			trans	-119.5	6.1	178	-65.1	-174.9	0	0	0	113.3	M143 G144 Y146 D151 F152 R183 V185 L245 V247	M143-L149 HydrophobicContact CB-CD1 4Å; M143-L149 HydrophobicContact CG-CD1 4.37Å; M143-L149 WeakPolarHBondContact O-CB 3.48Å; G144-L149 WeakPolarHBondContact CA-O 3.48Å; Y146-L149 PolarHBondContact O-N 3.48Å; L149-D151 VanDerWaalsContact C-N 3.25Å; L149-D151 PolarHBondContact O-N 3.12Å; L149-F152 HydrophobicContact CB-CB 4.16Å; L149-F152 HydrophobicContact CD2-CB 4.1Å; L149-F152 HydrophobicContact CD2-CD2 4.47Å; L149-F152 HydrophobicContact CD2-CG 4.18Å; L149-F152 WeakPolarHBondContact O-CB 3.48Å; L149-F152 PolarHBondContact O-N 3.24Å; L149-R183 HydrophobicContact CD2-CG 4.39Å; L149-V185 HydrophobicContact CD2-CG2 3.9Å; L149-L245 HydrophobicContact CD1-CD2 3.95Å; L149-V247 HydrophobicContact CD1-CG2 3.93Å; L149-V247 HydrophobicContact CD2-CG1 4.04Å; L149-V247 HydrophobicContact CD2-CG2 4.32Å; L149-V247 HydrophobicContact CG-CG2 4.47Å
150	E	97.3	Very high	97.6	Very high	121 Å²	121	45.6 Å²	45.6	57%	0.565	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-37	-171.4	-59.6	89.9	156.3	0	0	113.2	G144 P147 G148	G144-E150 WeakPolarHBondContact O-CA 3.22Å; P147-E150 WeakPolarHBondContact CA-OE1 3.33Å; G148-E150 VanDerWaalsContact CA-OE2 3.26Å; G148-E150 WeakPolarHBondContact CA-OE2 3.3Å; G148-E150 PolarHBondContact N-OE1 3.12Å; G148-E150 PolarHBondContact N-OE2 3.09Å
151	D	96.3	Very high	97.6	Very high	108 Å²	108	45.5 Å²	45.5	58%	0.578	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	14.5	177.3	71.3	-31.5	0	0	0	113	L149 Q153 R183	L149-D151 VanDerWaalsContact C-N 3.25Å; L149-D151 PolarHBondContact O-N 3.12Å; D151-Q153 PolarHBondContact O-N 3.18Å; D151-R183 IonicContact OD1-CZ 3.69Å; D151-R183 IonicContact OD1-NH1 3.76Å; D151-R183 PolarHBondContact OD1-NH1 2.9Å; D151-R183 IonicContact OD1-NH2 3.68Å; D151-R183 PolarHBondContact OD1-NH2 2.82Å; D151-R183 VanDerWaalsContact OD1-NH2 3.14Å; D151-R183 IonicContact OD2-NH2 3.96Å
152	F	98.1	Very high	97.6	Very high	11 Å²	11	40 Å²	40	5%	0.048	22%	0.224	C	C	.	.			trans	-68.1	114.9	179.1	-179.6	-108.5	0	0	0	110.9	M143 L149 P154 R183 V185 F274 E276	M143-F152 HydrophobicContact SD-CD1 3.96Å; M143-F152 HydrophobicContact SD-CE1 3.82Å; L149-F152 HydrophobicContact CB-CB 4.16Å; L149-F152 HydrophobicContact CD2-CB 4.1Å; L149-F152 HydrophobicContact CD2-CD2 4.47Å; L149-F152 HydrophobicContact CD2-CG 4.18Å; L149-F152 WeakPolarHBondContact O-CB 3.48Å; L149-F152 PolarHBondContact O-N 3.24Å; F152-P154 HydrophobicContact CD1-CG 4.44Å; F152-P154 HydrophobicContact CE1-CB 3.9Å; F152-P154 HydrophobicContact CE1-CG 3.92Å; F152-P154 HydrophobicContact CZ-CB 4.02Å; F152-R183 HydrophobicContact CD2-CB 3.79Å; F152-R183 HydrophobicContact CE2-CB 3.78Å; F152-V185 HydrophobicContact CD1-CG2 4.24Å; F152-V185 HydrophobicContact CD2-CG2 4.27Å; F152-V185 HydrophobicContact CE1-CB 4.07Å; F152-V185 HydrophobicContact CE1-CG2 3.74Å; F152-V185 HydrophobicContact CE2-CG2 3.76Å; F152-V185 HydrophobicContact CG-CG2 4.49Å; F152-V185 HydrophobicContact CZ-CB 3.89Å; F152-V185 HydrophobicContact CZ-CG2 3.47Å; F152-V185 VanDerWaalsContact CZ-CG2 3.47Å; F152-F274 HydrophobicContact CE1-CB 4.01Å; F152-F274 HydrophobicContact CZ-CB 3.96Å; F152-E276 HydrophobicContact CD2-CB 4.09Å; F152-E276 HydrophobicContact CD2-CG 4.24Å; F152-E276 WeakPolarHBondContact CD2-OE2 3.43Å; F152-E276 HydrophobicContact CE2-CB 3.79Å; F152-E276 HydrophobicContact CE2-CG 3.96Å
153	Q	97.9	Very high	97.6	Very high	92 Å²	92	37.6 Å²	37.6	43%	0.43	22%	0.218	S	C	.	.			trans	-121.6	97.9	179	-65.8	-175.5	-2.8	0	0	110.3	D151 E276 L295 L299	D151-Q153 PolarHBondContact O-N 3.18Å; Q153-E276 WeakPolarHBondContact O-CB 3.26Å; Q153-L295 HydrophobicContact CB-CD2 3.65Å; Q153-L299 HydrophobicContact CG-CD1 4.42Å
154	P	98.1	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.1	-179.9	28.7	-32.1	0	0	0	111.5	L132 V140 F152 F274 R275 A298	L132-P154 HydrophobicContact CD1-CB 4.13Å; L132-P154 HydrophobicContact CD1-CG 3.8Å; V140-P154 HydrophobicContact CB-CG 4.46Å; V140-P154 HydrophobicContact CG1-CG 3.72Å; V140-P154 HydrophobicContact CG2-CG 3.8Å; F152-P154 HydrophobicContact CD1-CG 4.44Å; F152-P154 HydrophobicContact CE1-CB 3.9Å; F152-P154 HydrophobicContact CE1-CG 3.92Å; F152-P154 HydrophobicContact CZ-CB 4.02Å; P154-F274 HydrophobicContact CB-CB 3.91Å; P154-F274 HydrophobicContact CB-CD1 4.22Å; P154-F274 HydrophobicContact CG-CD1 4.24Å; P154-R275 CarbonylContact C-O 3.54Å; P154-R275 VanDerWaalsContact CA-O 3.31Å; P154-R275 WeakPolarHBondContact CA-O 3.47Å; P154-A298 WeakPolarHBondContact O-CB 3.44Å
155	V	97.3	Very high	97.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-8.1	173.7	-67.6	0	0	0	0	113.2	F129 W180 R275 L277 L294 L295 A298	F129-V155 VanDerWaalsContact CZ-O 3.25Å; F129-V155 WeakPolarHBondContact CZ-O 3.32Å; V155-W180 HydrophobicContact CG2-CE3 4.48Å; V155-W180 HydrophobicContact CG2-CZ3 3.92Å; V155-R275 WeakPolarHBondContact CG2-O 3.35Å; V155-R275 PolarHBondContact N-O 3.12Å; V155-L277 HydrophobicContact CB-CG 4.2Å; V155-L277 HydrophobicContact CG1-CD1 3.78Å; V155-L277 HydrophobicContact CG1-CD2 4.45Å; V155-L277 HydrophobicContact CG1-CG 3.7Å; V155-L277 HydrophobicContact CG2-CD2 3.68Å; V155-L277 HydrophobicContact CG2-CG 3.59Å; V155-L294 HydrophobicContact CG1-CB 4.27Å; V155-L295 HydrophobicContact CG1-CB 4.5Å; V155-L295 HydrophobicContact CG1-CD2 3.41Å; V155-L295 VanDerWaalsContact CG1-CD2 3.41Å; V155-L295 HydrophobicContact CG1-CG 3.73Å; V155-A298 HydrophobicContact CB-CB 4.36Å; V155-A298 HydrophobicContact CG1-CB 4.35Å
156	E	97.9	Very high	97.4	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.8	178.9	-171.4	-87	165.1	0	0	109.7	Y113 C158 W180 F274 R275	Y113-E156 CarbonylContact O-C 2.96Å; Y113-E156 VanDerWaalsContact O-CA 3.28Å; Y113-E156 WeakPolarHBondContact O-CA 3.48Å; E156-C158 VanDerWaalsContact OE1-CB 3.3Å; E156-C158 WeakPolarHBondContact OE1-CB 3.49Å; E156-C158 PolarHBondContact OE1-N 2.81Å; E156-W180 HydrophobicContact CB-CH2 3.73Å; E156-W180 HydrophobicContact CB-CZ2 4.41Å; E156-W180 HydrophobicContact CB-CZ3 3.94Å; E156-W180 HydrophobicContact CG-CH2 3.94Å; E156-W180 HydrophobicContact CG-CZ2 4.27Å; E156-F274 WeakPolarHBondContact O-CA 3.39Å; E156-R275 HydrophobicContact CB-CB 4.41Å; E156-R275 VanDerWaalsContact CD-NH1 3.31Å; E156-R275 PolarHBondContact N-O 2.99Å; E156-R275 PolarHBondContact O-N 3.41Å; E156-R275 IonicContact OE1-NH1 3.71Å; E156-R275 PolarHBondContact OE1-NH1 2.97Å; E156-R275 VanDerWaalsContact OE2-CD 3.22Å; E156-R275 WeakPolarHBondContact OE2-CD 3.25Å; E156-R275 WeakPolarHBondContact OE2-CG 3.45Å; E156-R275 IonicContact OE2-CZ 3.03Å; E156-R275 IonicContact OE2-NE 2.7Å; E156-R275 IonicContact OE2-NH1 3.74Å; E156-R275 PolarHBondContact OE2-NH1 2.98Å
157	Q	98.4	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.1	168.8	175.5	-177.8	-23.6	0	0	109.6	Y113 L132 P133 S136 N159 T273 F274	Y113-Q157 WeakPolarHBondContact CB-O 3.29Å; Y113-Q157 PolarHBondContact N-O 3.49Å; Y113-Q157 PolarHBondContact O-N 3.47Å; L132-Q157 HydrophobicContact CD2-CB 3.81Å; P133-Q157 VanDerWaalsContact CG-OE1 3.3Å; S136-Q157 VanDerWaalsContact CB-OE1 3.24Å; S136-Q157 PolarHBondContact OG-NE2 2.79Å; S136-Q157 VanDerWaalsContact OG-NE2 3.08Å; S136-Q157 PolarHBondContact OG-OE1 3.39Å; Q157-N159 PolarHBondContact NE2-OD1 3.27Å; Q157-T273 CarbonylContact C-O 3.36Å; Q157-T273 VanDerWaalsContact CA-O 3.23Å; Q157-T273 WeakPolarHBondContact CA-O 3.44Å; Q157-F274 HydrophobicContact CB-CD1 4.06Å; Q157-F274 HydrophobicContact CB-CE1 4.14Å; Q157-F274 HydrophobicContact CG-CD1 4.14Å; Q157-F274 HydrophobicContact CG-CE1 3.85Å; Q157-F274 HydrophobicContact CG-CZ 4.25Å
158	C	98.2	Very high	97.5	Very high	11 Å²	11	31 Å²	31	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.7	171.4	-172	0	0	0	0	109.3	D112 E156 T273	D112-C158 PolarHBondContact OD1-SG 2.88Å; E156-C158 VanDerWaalsContact OE1-CB 3.3Å; E156-C158 WeakPolarHBondContact OE1-CB 3.49Å; E156-C158 PolarHBondContact OE1-N 2.81Å; C158-T273 PolarHBondContact N-O 2.98Å; C158-T273 PolarHBondContact O-N 2.97Å
159	N	98.7	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133	168.2	-53.6	-27.1	0	0	0	109.2	M96 W101 K110 Q111 Y113 Q157 C271 A272	M96-N159 HydrophobicContact SD-CB 4.42Å; W101-N159 HydrophobicContact CH2-CB 3.81Å; W101-N159 HydrophobicContact CZ3-CB 3.95Å; K110-N159 CarbonylContact C-O 3.56Å; K110-N159 WeakPolarHBondContact CA-O 3.49Å; Q111-N159 HydrophobicContact CB-CB 4.18Å; Q111-N159 PolarHBondContact N-O 3.39Å; Q111-N159 PolarHBondContact O-N 3.25Å; Q111-N159 PolarHBondContact OE1-ND2 2.73Å; Q111-N159 VanDerWaalsContact OE1-ND2 3.15Å; Y113-N159 WeakPolarHBondContact CE2-ND2 3.36Å; Q157-N159 PolarHBondContact NE2-OD1 3.27Å; N159-C271 CarbonylContact C-O 3.56Å; N159-C271 VanDerWaalsContact CA-O 3.26Å; N159-C271 WeakPolarHBondContact CA-O 3.39Å; N159-A272 WeakPolarHBondContact OD1-CB 3.37Å
160	L	98.7	Very high	97.5	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.099	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.8	175.9	-65.5	180	0	0	0	110	R109 K110 Y162 I170 V270 C271	R109-L160 WeakPolarHBondContact O-CA 3.36Å; K110-L160 HydrophobicContact CB-CD2 3.59Å; L160-Y162 HydrophobicContact CB-CD2 4.23Å; L160-Y162 HydrophobicContact CB-CE2 3.43Å; L160-Y162 VanDerWaalsContact CB-CE2 3.43Å; L160-Y162 HydrophobicContact CD1-CE2 4.34Å; L160-Y162 WeakPolarHBondContact CD1-OH 3.49Å; L160-I170 HydrophobicContact CD1-CD1 4.33Å; L160-V270 WeakPolarHBondContact O-CA 3.48Å; L160-C271 PolarHBondContact N-O 3.39Å; L160-C271 PolarHBondContact O-N 3.09Å
161	D	98.7	Very high	97.3	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.048	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.7	175.8	174.1	64	0	0	0	109.6	W101 R108 R109 R268 V270	W101-D161 HydrophobicContact CD2-CB 4.04Å; W101-D161 HydrophobicContact CE3-CB 3.77Å; W101-D161 HydrophobicContact CH2-CB 3.76Å; W101-D161 HydrophobicContact CZ2-CB 4Å; W101-D161 HydrophobicContact CZ3-CB 3.63Å; R108-D161 WeakPolarHBondContact CA-O 3.22Å; R109-D161 HydrophobicContact CB-CB 4.21Å; R109-D161 PolarHBondContact N-O 3Å; R109-D161 PolarHBondContact O-N 2.8Å; D161-R268 IonicContact OD1-CZ 3.12Å; D161-R268 IonicContact OD1-NE 2.69Å; D161-R268 PolarHBondContact OD1-NE 2.77Å; D161-R268 IonicContact OD1-NH2 3.69Å; D161-R268 PolarHBondContact OD1-NH2 2.91Å; D161-V270 HydrophobicContact CB-CG2 4.42Å
162	Y	98.6	Very high	97.2	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.02	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.8	-175.5	-62.5	-109.1	0	0	0	109.6	R108 L160 A169 I260 I265 R268 R269 C271	R108-Y162 VanDerWaalsContact CD-CZ 3.5Å; R108-Y162 HydrophobicContact CG-CD1 3.91Å; R108-Y162 HydrophobicContact CG-CE1 3.88Å; R108-Y162 HydrophobicContact CG-CG 4.41Å; L160-Y162 HydrophobicContact CB-CD2 4.23Å; L160-Y162 HydrophobicContact CB-CE2 3.43Å; L160-Y162 VanDerWaalsContact CB-CE2 3.43Å; L160-Y162 HydrophobicContact CD1-CE2 4.34Å; L160-Y162 WeakPolarHBondContact CD1-OH 3.49Å; Y162-A169 WeakPolarHBondContact CE1-O 3.13Å; Y162-I260 HydrophobicContact CE1-CD1 4.04Å; Y162-I265 HydrophobicContact CD1-CD1 3.91Å; Y162-I265 HydrophobicContact CD1-CG1 4.1Å; Y162-I265 HydrophobicContact CG-CD1 4.15Å; Y162-R268 WeakPolarHBondContact O-CA 3.33Å; Y162-R269 WeakPolarHBondContact CB-O 3.2Å; Y162-R269 WeakPolarHBondContact CD2-O 3.22Å; Y162-R269 PolarHBondContact N-O 3.18Å; Y162-R269 PolarHBondContact O-N 3.1Å; Y162-R269 VanDerWaalsContact O-N 3.11Å; Y162-C271 HydrophobicContact CE2-CB 4.34Å
163	S	97.6	Very high	97.1	Very high	17 Å²	17	26.4 Å²	26.4	12%	0.119	14%	0.139	C	C	.	.			trans	-134.9	128.5	-179.8	146.2	0	0	0	0	110	E165 R166 G167 S168	S163-E165 WeakPolarHBondContact CB-OE2 3.44Å; S163-E165 PolarHBondContact O-N 3.01Å; S163-E165 PolarHBondContact OG-N 2.83Å; S163-E165 PolarHBondContact OG-OE2 2.77Å; S163-R166 PolarHBondContact O-N 3.29Å; S163-R166 PolarHBondContact OG-N 3.01Å; S163-G167 PolarHBondContact O-N 3.28Å; S163-S168 PolarHBondContact N-OG 2.81Å; S163-S168 PolarHBondContact O-N 2.78Å; S163-S168 VanDerWaalsContact O-N 3.1Å; S163-S168 PolarHBondContact O-OG 2.77Å
164	P	97.3	Very high	97	Very high	35 Å²	35	25.8 Å²	25.8	23%	0.227	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-57.7	-38	172.9	-22	30.7	0	0	0	112.3	R166 G167 I265 V266	P164-R166 PolarHBondContact O-N 3.47Å; P164-R166 VanDerWaalsContact O-N 3.17Å; P164-G167 WeakPolarHBondContact O-CA 3.48Å; P164-G167 PolarHBondContact O-N 3.28Å; P164-I265 HydrophobicContact CG-CG2 4.06Å; P164-I265 WeakPolarHBondContact CG-O 3.31Å; P164-V266 VanDerWaalsContact CG-C 3.46Å
165	E	95.9	Very high	96.9	Very high	128 Å²	128	26.5 Å²	26.5	60%	0.598	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-64.7	-24.8	-176.3	-55.4	72.9	-154.1	0	0	112.8	R32 S163	R32-E165 PolarHBondContact NH2-O 3.23Å; S163-E165 WeakPolarHBondContact CB-OE2 3.44Å; S163-E165 PolarHBondContact O-N 3.01Å; S163-E165 PolarHBondContact OG-N 2.83Å; S163-E165 PolarHBondContact OG-OE2 2.77Å
166	R	95.3	Very high	96.9	Very high	29 Å²	29	28.8 Å²	28.8	11%	0.109	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-94.5	-10.8	174.5	-59.3	-177.4	71.7	81.7	3.5	112.2	A18 C27 L28 I29 G107 S163 P164	A18-R166 PolarHBondContact O-NH2 2.97Å; C27-R166 VanDerWaalsContact CB-O 3.25Å; C27-R166 WeakPolarHBondContact CB-O 3.2Å; L28-R166 PolarHBondContact N-O 2.83Å; I29-R166 HydrophobicContact CD1-CG 4.28Å; G107-R166 WeakPolarHBondContact O-CB 3.45Å; G107-R166 VanDerWaalsContact O-CD 3.28Å; G107-R166 WeakPolarHBondContact O-CD 3.5Å; G107-R166 PolarHBondContact O-NE 2.9Å; S163-R166 PolarHBondContact O-N 3.29Å; S163-R166 PolarHBondContact OG-N 3.01Å; P164-R166 PolarHBondContact O-N 3.47Å; P164-R166 VanDerWaalsContact O-N 3.17Å
167	G	96.1	Very high	96.8	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	51.3	-170.9	0	0	0	0	0	111.1	S163 P164 A169 R262	S163-G167 PolarHBondContact O-N 3.28Å; P164-G167 WeakPolarHBondContact O-CA 3.48Å; P164-G167 PolarHBondContact O-N 3.28Å; G167-A169 PolarHBondContact O-N 2.92Å; G167-A169 VanDerWaalsContact O-N 3.12Å; G167-R262 WeakPolarHBondContact O-CD 3.23Å; G167-R262 WeakPolarHBondContact O-CG 3.44Å; G167-R262 PolarHBondContact O-NE 3.22Å; G167-R262 VanDerWaalsContact O-NE 3.12Å
168	S	97.4	Very high	96.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.			trans	-61.4	112.8	-177.2	-69.2	0	0	0	0	111.9	S106 G107 S163 I265	S106-S168 CarbonylContact O-C 3.54Å; S106-S168 VanDerWaalsContact O-CA 3.22Å; S106-S168 WeakPolarHBondContact O-CA 3.26Å; G107-S168 VanDerWaalsContact C-OG 3.25Å; G107-S168 PolarHBondContact O-OG 2.68Å; G107-S168 VanDerWaalsContact O-OG 3.08Å; S163-S168 PolarHBondContact N-OG 2.81Å; S163-S168 PolarHBondContact O-N 2.78Å; S163-S168 VanDerWaalsContact O-N 3.1Å; S163-S168 PolarHBondContact O-OG 2.77Å; S168-I265 WeakPolarHBondContact O-CG1 3.35Å
169	A	97.3	Very high	96.6	Very high	11 Å²	11	31.8 Å²	31.8	9%	0.091	18%	0.176	C	C	.	.			trans	-79.2	169.7	169.3	0	0	0	0	0	114.6	S106 R108 Y162 G167 I260 R262	S106-A169 PolarHBondContact O-N 3.37Å; R108-A169 WeakPolarHBondContact CD-O 3.4Å; R108-A169 VanDerWaalsContact CG-O 3.3Å; R108-A169 WeakPolarHBondContact CG-O 3.35Å; R108-A169 PolarHBondContact NH1-O 2.73Å; Y162-A169 WeakPolarHBondContact CE1-O 3.13Å; G167-A169 PolarHBondContact O-N 2.92Å; G167-A169 VanDerWaalsContact O-N 3.12Å; A169-I260 CarbonylContact C-O 3.55Å; A169-I260 WeakPolarHBondContact CB-O 3.28Å; A169-R262 HydrophobicContact CB-CB 4.33Å; A169-R262 HydrophobicContact CB-CG 3.5Å
170	I	95.6	Very high	96.6	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.118	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)		-139.4	131	119.3	-166.2	164	0	0	0	108.2	L160 H173 A259 I260	L160-I170 HydrophobicContact CD1-CD1 4.33Å; I170-H173 WeakPolarHBondContact CD1-CE1 3.28Å; I170-A259 WeakPolarHBondContact O-CA 3.41Å; I170-I260 HydrophobicContact CG2-CB 3.76Å; I170-I260 HydrophobicContact CG2-CD1 4.12Å; I170-I260 HydrophobicContact CG2-CG1 3.73Å; I170-I260 VanDerWaalsContact CG2-N 3.32Å; I170-I260 PolarHBondContact N-O 3.31Å; I170-I260 PolarHBondContact O-N 3.44Å; I170-I260 VanDerWaalsContact O-O 3.1Å
171	D	93.6	Very high	96.5	Very high	46 Å²	46	31.7 Å²	31.7	25%	0.246	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	158.2	-176.2	-56.7	-96.7	0	0	0	111.7	R25 S106 H173	R25-D171 WeakPolarHBondContact CD-OD2 3.34Å; R25-D171 IonicContact CZ-OD1 3.44Å; R25-D171 IonicContact CZ-OD2 2.91Å; R25-D171 IonicContact NE-OD1 3.33Å; R25-D171 IonicContact NE-OD2 3.78Å; R25-D171 PolarHBondContact NE-OD2 3.18Å; R25-D171 IonicContact NH1-OD1 3.81Å; R25-D171 PolarHBondContact NH1-OD1 3.18Å; R25-D171 IonicContact NH1-OD2 3.79Å; R25-D171 VanDerWaalsContact NH2-CB 3.32Å; S106-D171 PolarHBondContact OG-OD2 2.91Å; D171-H173 PolarHBondContact O-N 3.06Å; D171-H173 PolarHBondContact O-ND1 3.42Å
172	P	94.8	Very high	96.5	Very high	58 Å²	58	35.3 Å²	35.3	38%	0.377	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	127.5	176.5	-24.3	32.1	0	0	0	112.2	H258 A259	P172-H258 WeakPolarHBondContact CA-O 3.33Å; P172-A259 HydrophobicContact CB-CB 4.26Å; P172-A259 HydrophobicContact CG-CB 3.81Å
173	H	95.4	Very high	96.5	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.25	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165.4	178.1	64.2	-62.5	0	0	0	112.1	I170 D171 D175 T257 H258	I170-H173 WeakPolarHBondContact CD1-CE1 3.28Å; D171-H173 PolarHBondContact O-N 3.06Å; D171-H173 PolarHBondContact O-ND1 3.42Å; H173-D175 IonicContact CD2-OD1 3.8Å; H173-D175 IonicContact NE2-OD1 3.16Å; H173-T257 CarbonylContact O-C 3.55Å; H173-T257 WeakPolarHBondContact O-CA 3.5Å; H173-H258 AromaticContact CE1-CD2 3.58Å; H173-H258 AromaticContact CE1-CE1 3.87Å; H173-H258 AromaticContact CE1-NE2 3.21Å; H173-H258 PolarHBondContact CE1-NE2 2.73Å; H173-H258 PolarHBondContact N-O 2.86Å; H173-H258 PolarHBondContact ND1-O 3.13Å; H173-H258 VanDerWaalsContact ND1-O 3.12Å; H173-H258 AromaticContact NE2-CE1 3.71Å; H173-H258 AromaticContact NE2-NE2 3.24Å; H173-H258 PolarHBondContact NE2-NE2 2.7Å; H173-H258 PolarHBondContact O-N 2.79Å; H173-H258 PolarHBondContact O-ND1 3.28Å
174	L	96.4	Very high	96.5	Very high	80 Å²	80	35.8 Å²	35.8	42%	0.419	19%	0.193	S	C	.	.			trans	-109.8	145.7	164.4	-69	171.1	0	0	0	108.7	W256 T257	L174-W256 WeakPolarHBondContact CD2-O 3.34Å; L174-T257 HydrophobicContact CD2-CG2 4.47Å; L174-T257 HydrophobicContact CG-CG2 4.04Å
175	D	96.4	Very high	96.6	Very high	14 Å²	14	34.1 Å²	34.1	8%	0.075	18%	0.182	C	C	.	.			trans	-74.5	142.6	169.3	-82.7	25.1	0	0	0	109.9	H173 A177 L184 H258 R275	H173-D175 IonicContact CD2-OD1 3.8Å; H173-D175 IonicContact NE2-OD1 3.16Å; D175-A177 PolarHBondContact O-N 2.85Å; D175-A177 VanDerWaalsContact O-N 3.17Å; D175-L184 VanDerWaalsContact OD2-CD1 3.29Å; D175-L184 WeakPolarHBondContact OD2-CD1 3.35Å; D175-H258 IonicContact OD1-CE1 3.28Å; D175-H258 PolarHBondContact OD1-CE1 3.18Å; D175-H258 IonicContact OD1-NE2 2.73Å; D175-R275 IonicContact OD1-NH2 3.57Å; D175-R275 IonicContact OD2-CZ 3.58Å; D175-R275 IonicContact OD2-NE 2.88Å; D175-R275 PolarHBondContact OD2-NE 2.76Å; D175-R275 IonicContact OD2-NH2 2.68Å; D175-R275 PolarHBondContact OD2-NH2 3.22Å
176	D	96.3	Very high	96.8	Very high	49 Å²	49	29 Å²	29	26%	0.262	16%	0.161	S	C	.	.			trans	-62.7	117.6	-174.6	-174.1	-82.5	0	0	0	111.9	F119 W178 L179 W180	F119-D176 WeakPolarHBondContact CB-OD2 3.47Å; F119-D176 HydrophobicContact CD1-CB 3.41Å; F119-D176 VanDerWaalsContact CD1-CB 3.41Å; F119-D176 WeakPolarHBondContact CD1-OD1 3.23Å; F119-D176 WeakPolarHBondContact CD1-OD2 3.24Å; F119-D176 HydrophobicContact CE1-CB 3.53Å; F119-D176 HydrophobicContact CG-CB 4.09Å; F119-D176 HydrophobicContact CZ-CB 4.32Å; D176-W178 VanDerWaalsContact C-N 3.33Å; D176-W178 PolarHBondContact O-N 2.95Å; D176-W178 VanDerWaalsContact OD1-CB 3.29Å; D176-W178 WeakPolarHBondContact OD1-CB 3.31Å; D176-W178 PolarHBondContact OD1-N 3.15Å; D176-L179 PolarHBondContact OD1-N 2.87Å; D176-W180 VanDerWaalsContact O-CB 3.31Å; D176-W180 WeakPolarHBondContact O-CB 3.45Å; D176-W180 VanDerWaalsContact O-CD1 3.3Å; D176-W180 PolarHBondContact O-N 2.62Å; D176-W180 VanDerWaalsContact O-N 3.11Å
177	A	95.5	Very high	96.9	Very high	61 Å²	61	27.6 Å²	27.6	50%	0.504	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.9	-176.3	0	0	0	0	0	113.9	D175	D175-A177 PolarHBondContact O-N 2.85Å; D175-A177 VanDerWaalsContact O-N 3.17Å
178	W	96.8	Very high	97.1	Very high	24 Å²	24	27.4 Å²	27.4	9%	0.091	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-45.8	173.2	159.1	66.1	0	0	0	110.3	V117 F119 Q122 L124 D176 S278 E280 F281	V117-W178 HydrophobicContact CG1-CZ3 3.79Å; F119-W178 HydrophobicContact CD1-CE3 4.3Å; F119-W178 HydrophobicContact CD1-CZ3 4.47Å; Q122-W178 VanDerWaalsContact CA-CZ2 3.5Å; Q122-W178 HydrophobicContact CB-CD2 3.87Å; Q122-W178 HydrophobicContact CB-CE3 4.21Å; Q122-W178 HydrophobicContact CB-CH2 3.95Å; Q122-W178 HydrophobicContact CB-CZ2 3.54Å; Q122-W178 HydrophobicContact CB-CZ3 4.26Å; Q122-W178 HydrophobicContact CG-CD2 3.56Å; Q122-W178 HydrophobicContact CG-CE3 3.98Å; Q122-W178 HydrophobicContact CG-CG 3.82Å; Q122-W178 HydrophobicContact CG-CZ2 4.22Å; Q122-W178 HydrophobicContact CG-CZ3 4.49Å; Q122-W178 VanDerWaalsContact NE2-CG 3.29Å; Q122-W178 WeakPolarHBondContact O-CH2 3.47Å; Q122-W178 VanDerWaalsContact O-CZ2 3.29Å; Q122-W178 WeakPolarHBondContact O-CZ2 3.4Å; L124-W178 HydrophobicContact CB-CH2 4.3Å; D176-W178 VanDerWaalsContact C-N 3.33Å; D176-W178 PolarHBondContact O-N 2.95Å; D176-W178 VanDerWaalsContact OD1-CB 3.29Å; D176-W178 WeakPolarHBondContact OD1-CB 3.31Å; D176-W178 PolarHBondContact OD1-N 3.15Å; W178-S278 WeakPolarHBondContact O-CB 3.4Å; W178-S278 PolarHBondContact O-OG 2.76Å; W178-E280 PolarHBondContact NE1-OE1 3.21Å; W178-E280 PolarHBondContact NE1-OE2 3.42Å; W178-F281 AromaticContact CE2-CZ 3.95Å; W178-F281 HydrophobicContact CH2-CZ 4.25Å; W178-F281 HydrophobicContact CZ2-CE2 4.31Å; W178-F281 AromaticContact CZ2-CZ 3.64Å; W178-F281 HydrophobicContact CZ2-CZ 3.64Å
179	L	97.1	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-39.4	-177.8	-175.1	57.8	0	0	0	113.2	V117 F119 L124 D176 L277 S278 F281	V117-L179 HydrophobicContact CB-CD2 4.2Å; V117-L179 HydrophobicContact CG1-CD2 3.59Å; V117-L179 HydrophobicContact CG2-CD2 3.49Å; V117-L179 VanDerWaalsContact CG2-CD2 3.49Å; F119-L179 HydrophobicContact CE1-CB 4.26Å; F119-L179 HydrophobicContact CE1-CD2 4.24Å; L124-L179 HydrophobicContact CD1-CD1 4.25Å; L124-L179 HydrophobicContact CD1-CD2 3.68Å; L124-L179 HydrophobicContact CD2-CD1 3.62Å; D176-L179 PolarHBondContact OD1-N 2.87Å; L179-L277 HydrophobicContact CD1-CD2 3.9Å; L179-S278 PolarHBondContact O-N 2.77Å; L179-F281 HydrophobicContact CD1-CD1 4.49Å; L179-F281 HydrophobicContact CD1-CD2 3.99Å; L179-F281 HydrophobicContact CD1-CE1 4.01Å; L179-F281 HydrophobicContact CD1-CE2 3.48Å; L179-F281 VanDerWaalsContact CD1-CE2 3.48Å; L179-F281 HydrophobicContact CD1-CG 4.49Å; L179-F281 HydrophobicContact CD1-CZ 3.47Å; L179-F281 VanDerWaalsContact CD1-CZ 3.47Å
180	W	97.9	Very high	97.2	Very high	11 Å²	11	30 Å²	30	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.5	-171.7	-49.5	136.6	0	0	0	111.7	V117 F119 V155 E156 D176 R275 E276	V117-W180 HydrophobicContact CG2-CH2 4.35Å; V117-W180 HydrophobicContact CG2-CZ2 4.31Å; F119-W180 HydrophobicContact CE1-CZ2 4.31Å; F119-W180 AromaticContact CE1-NE1 3.81Å; F119-W180 HydrophobicContact CZ-CZ2 4.11Å; F119-W180 AromaticContact CZ-NE1 3.76Å; V155-W180 HydrophobicContact CG2-CE3 4.48Å; V155-W180 HydrophobicContact CG2-CZ3 3.92Å; E156-W180 HydrophobicContact CB-CH2 3.73Å; E156-W180 HydrophobicContact CB-CZ2 4.41Å; E156-W180 HydrophobicContact CB-CZ3 3.94Å; E156-W180 HydrophobicContact CG-CH2 3.94Å; E156-W180 HydrophobicContact CG-CZ2 4.27Å; D176-W180 VanDerWaalsContact O-CB 3.31Å; D176-W180 WeakPolarHBondContact O-CB 3.45Å; D176-W180 VanDerWaalsContact O-CD1 3.3Å; D176-W180 PolarHBondContact O-N 2.62Å; D176-W180 VanDerWaalsContact O-N 3.11Å; W180-R275 HydrophobicContact CB-CB 4.46Å; W180-R275 HydrophobicContact CD2-CB 3.97Å; W180-R275 HydrophobicContact CD2-CG 4.43Å; W180-R275 HydrophobicContact CE3-CB 3.9Å; W180-R275 HydrophobicContact CG-CB 4.22Å; W180-R275 HydrophobicContact CG-CG 4.41Å; W180-E276 CarbonylContact C-O 3.51Å; W180-E276 WeakPolarHBondContact CA-O 3.13Å
181	G	97.6	Very high	97.4	Very high	7 Å²	7	29.6 Å²	29.6	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-159.4	-176.5	0	0	0	0	0	114.4	R253 E276 L277	G181-R253 VanDerWaalsContact O-CZ 3.31Å; G181-R253 PolarHBondContact O-NH1 3.34Å; G181-R253 PolarHBondContact O-NH2 2.78Å; G181-E276 PolarHBondContact N-O 2.85Å; G181-L277 WeakPolarHBondContact CA-O 3.48Å
182	E	97.8	Very high	97.6	Very high	84 Å²	84	29.8 Å²	29.8	39%	0.393	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-42.3	-166.1	-180	58.2	-163.5	0	0	113.1	G250 R253 H254 E276	E182-G250 VanDerWaalsContact OE1-CA 3.31Å; E182-G250 WeakPolarHBondContact OE1-CA 3.33Å; E182-G250 PolarHBondContact OE1-N 2.66Å; E182-R253 WeakPolarHBondContact O-CG 3.44Å; E182-H254 IonicContact OE2-CD2 3.85Å; E182-H254 IonicContact OE2-CE1 2.77Å; E182-H254 IonicContact OE2-NE2 2.78Å; E182-H254 PolarHBondContact OE2-NE2 2.81Å; E182-E276 PolarHBondContact N-OE1 3.06Å
183	R	98.4	Very high	97.8	Very high	28 Å²	28	27.4 Å²	27.4	11%	0.106	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.9	-174.3	-66.3	162.2	-73.6	-163.4	2	111	G148 L149 D151 F152 V185 T249 R253 E276	G148-R183 VanDerWaalsContact O-CD 3.26Å; G148-R183 WeakPolarHBondContact O-CD 3.22Å; G148-R183 PolarHBondContact O-NH1 3.49Å; L149-R183 HydrophobicContact CD2-CG 4.39Å; D151-R183 IonicContact OD1-CZ 3.69Å; D151-R183 IonicContact OD1-NH1 3.76Å; D151-R183 PolarHBondContact OD1-NH1 2.9Å; D151-R183 IonicContact OD1-NH2 3.68Å; D151-R183 PolarHBondContact OD1-NH2 2.82Å; D151-R183 VanDerWaalsContact OD1-NH2 3.14Å; D151-R183 IonicContact OD2-NH2 3.96Å; F152-R183 HydrophobicContact CD2-CB 3.79Å; F152-R183 HydrophobicContact CE2-CB 3.78Å; R183-V185 HydrophobicContact CB-CG2 4.33Å; R183-T249 HydrophobicContact CB-CG2 4.39Å; R183-T249 HydrophobicContact CG-CG2 3.63Å; R183-R253 VanDerWaalsContact C-NH1 3.32Å; R183-R253 PolarHBondContact O-NH1 2.93Å; R183-E276 WeakPolarHBondContact CB-OE1 3.48Å; R183-E276 IonicContact CZ-OE1 2.74Å; R183-E276 IonicContact CZ-OE2 3.45Å; R183-E276 PolarHBondContact N-OE1 3.19Å; R183-E276 VanDerWaalsContact NE-CD 3.3Å; R183-E276 IonicContact NE-OE1 3.74Å; R183-E276 PolarHBondContact NE-OE1 3.05Å; R183-E276 IonicContact NE-OE2 2.73Å; R183-E276 PolarHBondContact NE-OE2 3.01Å; R183-E276 IonicContact NH2-OE1 3.78Å; R183-E276 IonicContact NH2-OE2 2.76Å; R183-E276 PolarHBondContact NH2-OE2 3.35Å
184	L	98.7	Very high	97.9	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.8	162.5	-170.7	56.8	0	0	0	108.4	D175 V247 L248 R253 T273 R275	D175-L184 VanDerWaalsContact OD2-CD1 3.29Å; D175-L184 WeakPolarHBondContact OD2-CD1 3.35Å; L184-V247 WeakPolarHBondContact O-CA 3.5Å; L184-L248 HydrophobicContact CB-CB 4.26Å; L184-L248 HydrophobicContact CD2-CD1 4.4Å; L184-L248 PolarHBondContact N-O 3.22Å; L184-L248 PolarHBondContact O-N 3.28Å; L184-R253 VanDerWaalsContact CB-NH1 3.27Å; L184-T273 HydrophobicContact CD1-CG2 3.5Å; L184-T273 HydrophobicContact CG-CG2 4.24Å; L184-R275 HydrophobicContact CD1-CG 3.8Å
185	V	98.9	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.3	-176.9	-178.2	0	0	0	0	108.9	M143 L149 F152 R183 L245 L246 V247 T273 F274	M143-V185 HydrophobicContact CE-CG1 3.82Å; M143-V185 HydrophobicContact SD-CG1 3.98Å; L149-V185 HydrophobicContact CD2-CG2 3.9Å; F152-V185 HydrophobicContact CD1-CG2 4.24Å; F152-V185 HydrophobicContact CD2-CG2 4.27Å; F152-V185 HydrophobicContact CE1-CB 4.07Å; F152-V185 HydrophobicContact CE1-CG2 3.74Å; F152-V185 HydrophobicContact CE2-CG2 3.76Å; F152-V185 HydrophobicContact CG-CG2 4.49Å; F152-V185 HydrophobicContact CZ-CB 3.89Å; F152-V185 HydrophobicContact CZ-CG2 3.47Å; F152-V185 VanDerWaalsContact CZ-CG2 3.47Å; R183-V185 HydrophobicContact CB-CG2 4.33Å; V185-L245 HydrophobicContact CG1-CD1 3.54Å; V185-L245 HydrophobicContact CG1-CD2 3.81Å; V185-L245 HydrophobicContact CG1-CG 3.73Å; V185-L246 CarbonylContact C-O 3.57Å; V185-L246 WeakPolarHBondContact CA-O 2.99Å; V185-V247 HydrophobicContact CG1-CG2 4.41Å; V185-V247 HydrophobicContact CG2-CG1 4.17Å; V185-V247 HydrophobicContact CG2-CG2 4.3Å; V185-T273 CarbonylContact O-C 3.51Å; V185-T273 WeakPolarHBondContact O-CA 3.38Å; V185-F274 HydrophobicContact CB-CB 4.31Å; V185-F274 PolarHBondContact N-O 3.12Å; V185-F274 PolarHBondContact O-N 3.05Å
186	S	98.8	Very high	98.1	Very high	21 Å²	21	22.2 Å²	22.2	15%	0.147	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119	-179.5	-68.5	0	0	0	0	111.3	L246 A272 T273	S186-L246 PolarHBondContact N-O 2.8Å; S186-L246 PolarHBondContact O-N 2.91Å; S186-A272 WeakPolarHBondContact CA-O 3.38Å; S186-T273 PolarHBondContact OG-OG1 2.86Å
187	L	98.9	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.6	172.5	179.6	60.6	0	0	0	109.7	F83 V84 M92 V139 L189 L245 C271 A272 F274	F83-L187 HydrophobicContact CD1-CD1 3.85Å; V84-L187 HydrophobicContact CG1-CD1 4.22Å; V84-L187 HydrophobicContact CG1-CD2 3.98Å; V84-L187 HydrophobicContact CG2-CD1 4.26Å; M92-L187 HydrophobicContact CE-CD2 3.77Å; M92-L187 HydrophobicContact SD-CD2 4.2Å; V139-L187 HydrophobicContact CG1-CD2 4.06Å; V139-L187 HydrophobicContact CG2-CD2 4.19Å; L187-L189 HydrophobicContact CD1-CD2 4.38Å; L187-L189 HydrophobicContact CD2-CD2 4.1Å; L187-L189 HydrophobicContact CG-CD2 3.92Å; L187-L189 HydrophobicContact CG-CG 4.25Å; L187-L245 HydrophobicContact CB-CD1 3.93Å; L187-L245 HydrophobicContact CD1-CD1 4.23Å; L187-C271 VanDerWaalsContact O-CA 3.32Å; L187-C271 WeakPolarHBondContact O-CA 3.35Å; L187-A272 HydrophobicContact CB-CB 4.46Å; L187-A272 PolarHBondContact N-O 3.19Å; L187-A272 PolarHBondContact O-N 3.2Å; L187-F274 HydrophobicContact CB-CE2 4.33Å
188	N	98.9	Very high	98.2	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.4	179.1	-170.7	60	0	0	0	111.4	S191 V240 P241 R243 S244 R269	N188-S191 PolarHBondContact ND2-O 3.3Å; N188-V240 HydrophobicContact CB-CG1 3.54Å; N188-V240 PolarHBondContact ND2-O 3.11Å; N188-P241 VanDerWaalsContact ND2-C 3.3Å; N188-P241 PolarHBondContact ND2-O 2.96Å; N188-R243 VanDerWaalsContact O-CA 3.23Å; N188-R243 WeakPolarHBondContact O-CA 3.49Å; N188-R243 PolarHBondContact O-N 3.31Å; N188-S244 PolarHBondContact N-O 2.63Å; N188-R269 PolarHBondContact OD1-NE 3.22Å; N188-R269 PolarHBondContact OD1-NH2 2.82Å
189	L	98.9	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.8	-175.1	-56.8	173.7	0	0	0	112	V84 E89 V93 M96 L187 S191 V270	V84-L189 HydrophobicContact CG2-CD2 3.89Å; E89-L189 HydrophobicContact CB-CD2 4.21Å; E89-L189 HydrophobicContact CG-CB 4.4Å; E89-L189 HydrophobicContact CG-CD2 4.01Å; E89-L189 VanDerWaalsContact OE1-CA 3.24Å; E89-L189 WeakPolarHBondContact OE1-CA 3.29Å; V93-L189 HydrophobicContact CG2-CB 4.36Å; V93-L189 HydrophobicContact CG2-CD1 4.1Å; M96-L189 HydrophobicContact CE-CD1 4.05Å; L187-L189 HydrophobicContact CD1-CD2 4.38Å; L187-L189 HydrophobicContact CD2-CD2 4.1Å; L187-L189 HydrophobicContact CG-CD2 3.92Å; L187-L189 HydrophobicContact CG-CG 4.25Å; L189-S191 PolarHBondContact O-N 2.73Å; L189-V270 WeakPolarHBondContact CA-O 3.42Å; L189-V270 HydrophobicContact CB-CB 4.22Å; L189-V270 HydrophobicContact CD1-CG1 4.35Å; L189-V270 PolarHBondContact N-O 3.39Å; L189-V270 PolarHBondContact O-N 2.75Å; L189-V270 VanDerWaalsContact O-N 3.12Å
190	L	98.8	Very high	97.3	Very high	65 Å²	65	22.2 Å²	22.2	34%	0.34	12%	0.123	S	C	.	.	S	Bend	trans	67.1	-54.9	177.9	-56	178.9	0	0	0	115.6	E89 V93 R268 V270	E89-L190 HydrophobicContact CG-CD2 4.47Å; E89-L190 PolarHBondContact OE1-N 2.8Å; V93-L190 HydrophobicContact CB-CD2 4.44Å; V93-L190 HydrophobicContact CG1-CD1 4.09Å; V93-L190 HydrophobicContact CG1-CD2 4.24Å; V93-L190 HydrophobicContact CG2-CD1 4.31Å; V93-L190 HydrophobicContact CG2-CD2 3.89Å; V93-L190 HydrophobicContact CG2-CG 4Å; L190-R268 WeakPolarHBondContact CB-O 3.38Å; L190-R268 HydrophobicContact CD1-CG 4.06Å; L190-V270 HydrophobicContact CD1-CB 4.31Å; L190-V270 HydrophobicContact CD1-CG2 3.75Å
191	S	98.7	Very high	96.6	Very high	15 Å²	15	24 Å²	24	11%	0.105	14%	0.14	C	C	.	.	S	Bend	trans	-133.5	144.3	-175.7	179.3	0	0	0	0	111.1	N188 L189 R268	N188-S191 PolarHBondContact ND2-O 3.3Å; L189-S191 PolarHBondContact O-N 2.73Å; S191-R268 VanDerWaalsContact CB-O 3.29Å; S191-R268 WeakPolarHBondContact CB-O 3.37Å
192	A	98.6	Very high	96	Very high	50 Å²	50	29.1 Å²	29.1	41%	0.413	17%	0.172	S	C	.	.			trans	-63.1	157	168.3	0	0	0	0	0	111.2	V240	A192-V240 VanDerWaalsContact CA-O 3.28Å; A192-V240 WeakPolarHBondContact CA-O 3.47Å
193	T	98.7	Very high	95.6	Very high	8 Å²	8	26.9 Å²	26.9	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	176.6	172.5	-168.1	0	0	0	0	110.3	V240 I260 H264	T193-V240 HydrophobicContact CG2-CB 4.13Å; T193-V240 PolarHBondContact N-O 3Å; T193-V240 PolarHBondContact O-N 2.98Å; T193-I260 WeakPolarHBondContact OG1-CG2 3.48Å; T193-H264 PolarHBondContact OG1-O 2.83Å
194	V	98.7	Very high	95.2	Very high	27 Å²	27	29.3 Å²	29.3	16%	0.164	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	163.7	176	0	0	0	0	109.4	A237 I238 H264	V194-A237 HydrophobicContact CG1-CB 3.59Å; V194-I238 CarbonylContact C-O 3.51Å; V194-I238 WeakPolarHBondContact CA-O 3.29Å; V194-H264 HydrophobicContact CB-CB 4.21Å
195	V	98.6	Very high	94.9	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.7	166.9	176.8	0	0	0	0	107.6	M197 I238 V240 L246 H258 A259 I260	V195-M197 HydrophobicContact CG1-SD 3.85Å; V195-I238 HydrophobicContact CB-CB 4.38Å; V195-I238 PolarHBondContact N-O 3.19Å; V195-I238 PolarHBondContact O-N 3.12Å; V195-V240 HydrophobicContact CB-CG2 4.35Å; V195-V240 HydrophobicContact CG2-CG2 3.78Å; V195-L246 HydrophobicContact CB-CD2 4.41Å; V195-L246 HydrophobicContact CG2-CD2 4.03Å; V195-H258 HydrophobicContact CG1-CB 4.06Å; V195-A259 WeakPolarHBondContact CA-O 3.16Å; V195-I260 HydrophobicContact CG2-CG1 4.4Å
196	S	98.1	Very high	94.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.1	178.6	-71.2	0	0	0	0	109.6	E235 H258 A259 H261	S196-E235 VanDerWaalsContact CB-CD 3.44Å; S196-E235 WeakPolarHBondContact CB-OE1 3.45Å; S196-E235 VanDerWaalsContact OG-CD 3.31Å; S196-E235 PolarHBondContact OG-OE1 2.86Å; S196-H258 CarbonylContact O-C 3.58Å; S196-H258 WeakPolarHBondContact O-CA 3.43Å; S196-A259 PolarHBondContact N-O 3.48Å; S196-A259 PolarHBondContact O-N 2.98Å; S196-H261 PolarHBondContact OG-CD2 2.72Å; S196-H261 PolarHBondContact OG-NE2 2.94Å
197	M	98	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.4	176.5	-52.7	-61.5	-70	0	0	109.3	F74 V195 E235 V236 I238 L248 A252 W256 T257 H258	F74-M197 HydrophobicContact CE1-CB 4.33Å; F74-M197 HydrophobicContact CE1-CG 4.06Å; F74-M197 HydrophobicContact CZ-CB 3.76Å; F74-M197 HydrophobicContact CZ-CG 3.98Å; V195-M197 HydrophobicContact CG1-SD 3.85Å; M197-E235 CarbonylContact O-C 3.57Å; M197-E235 WeakPolarHBondContact O-CA 3.4Å; M197-V236 HydrophobicContact CB-CB 4.23Å; M197-V236 PolarHBondContact N-O 3.21Å; M197-V236 PolarHBondContact O-N 3.24Å; M197-I238 HydrophobicContact CG-CD1 3.47Å; M197-I238 VanDerWaalsContact CG-CD1 3.47Å; M197-I238 HydrophobicContact CG-CG1 4.08Å; M197-I238 HydrophobicContact SD-CD1 3.9Å; M197-L248 HydrophobicContact CE-CD1 4.03Å; M197-L248 HydrophobicContact CE-CD2 4.32Å; M197-L248 HydrophobicContact SD-CD1 4.38Å; M197-A252 HydrophobicContact CE-CB 4.27Å; M197-A252 VanDerWaalsContact CE-O 3.28Å; M197-A252 WeakPolarHBondContact CE-O 3.29Å; M197-W256 HydrophobicContact CB-CB 4.45Å; M197-W256 HydrophobicContact CB-CE3 3.91Å; M197-W256 HydrophobicContact CE-CB 3.76Å; M197-T257 CarbonylContact C-O 3.45Å; M197-T257 WeakPolarHBondContact CA-O 3.44Å; M197-H258 HydrophobicContact CE-CB 4.22Å; M197-H258 HydrophobicContact SD-CB 3.64Å
198	S	95.6	Very high	93.9	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.9	178	-71.5	0	0	0	0	111.1	W256 T257	S198-W256 CarbonylContact O-C 3.54Å; S198-T257 PolarHBondContact N-O 2.84Å; S198-T257 PolarHBondContact O-N 2.94Å; S198-T257 PolarHBondContact O-OG1 3.46Å
199	C	90.2	Very high	93.3	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.047	24%	0.242	C	C	.	.			trans	-107.4	144.3	173.9	-170.1	0	0	0	0	109.9	K46 A201 Q232 W256	K46-C199 PolarHBondContact NZ-O 3.33Å; C199-A201 VanDerWaalsContact SG-CB 3.51Å; C199-A201 PolarHBondContact SG-N 3.07Å; C199-A201 VanDerWaalsContact SG-N 3.35Å; C199-Q232 WeakPolarHBondContact O-CA 3.45Å; C199-W256 HydrophobicContact CB-CD2 3.96Å; C199-W256 HydrophobicContact CB-CE3 4.03Å; C199-W256 HydrophobicContact CB-CH2 4.27Å; C199-W256 HydrophobicContact CB-CZ2 4.2Å; C199-W256 HydrophobicContact CB-CZ3 4.19Å
200	E	85.4	Confident	92.1	Very high	121 Å²	121	39 Å²	39	57%	0.565	25%	0.251	S	S	*	.			trans	-107.3	-5.8	172.2	-63	-60.6	140.7	0	0	111.7	K46 Q232	K46-E200 IonicContact NZ-OE1 2.73Å; K46-E200 PolarHBondContact NZ-OE1 3.29Å; E200-Q232 WeakPolarHBondContact O-CG 3.41Å; E200-Q232 PolarHBondContact O-NE2 3.24Å; E200-Q232 VanDerWaalsContact O-NE2 3.12Å
201	A	82.9	Confident	90.4	Very high	49 Å²	49	44 Å²	44	41%	0.405	28%	0.277	S	S	.	.	S	Bend	trans	-69.2	142	-179.2	0	0	0	0	0	111.5	C199 Q232	C199-A201 VanDerWaalsContact SG-CB 3.51Å; C199-A201 PolarHBondContact SG-N 3.07Å; C199-A201 VanDerWaalsContact SG-N 3.35Å; A201-Q232 WeakPolarHBondContact O-CG 3.38Å; A201-Q232 PolarHBondContact O-NE2 2.9Å
202	P	84.8	Confident	88.5	Confident	114 Å²	114	45.9 Å²	45.9	74%	0.74	29%	0.29	S	S	*	.	S	Bend	trans	-65.3	145.6	172.7	29.4	-34.2	0	0	0	110.5	Q232	P202-Q232 VanDerWaalsContact N-NE2 3.2Å
203	G	88.3	Confident	86.7	Confident	38 Å²	38	46 Å²	46	39%	0.392	28%	0.283	S	S	.	.			trans	150	176.8	179.9	0	0	0	0	0	111.9	P230 C231	G203-P230 WeakPolarHBondContact O-CA 3.33Å; G203-C231 PolarHBondContact O-N 2.85Å
204	S	91.1	Very high	84.6	Confident	79 Å²	79	47.3 Å²	47.3	55%	0.552	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	136.8	174	-60.5	0	0	0	0	110	V229	S204-V229 CarbonylContact C-O 3.26Å; S204-V229 VanDerWaalsContact CA-O 3.26Å; S204-V229 WeakPolarHBondContact CA-O 3.21Å
205	L	91.9	Very high	82.3	Confident	31 Å²	31	52.6 Å²	52.6	16%	0.162	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.6	167.9	-66.4	166.2	0	0	0	108.3	F72 S228 V229 V234 W256	F72-L205 HydrophobicContact CD2-CD1 4.25Å; F72-L205 HydrophobicContact CD2-CD2 4.11Å; F72-L205 HydrophobicContact CE1-CD1 4.26Å; F72-L205 HydrophobicContact CE2-CD1 3.72Å; F72-L205 HydrophobicContact CE2-CD2 4.15Å; F72-L205 HydrophobicContact CE2-CG 4.46Å; F72-L205 HydrophobicContact CZ-CD1 3.73Å; L205-S228 VanDerWaalsContact O-CA 3.25Å; L205-S228 WeakPolarHBondContact O-CA 3.26Å; L205-V229 HydrophobicContact CB-CG2 4.03Å; L205-V229 PolarHBondContact N-O 2.91Å; L205-V229 PolarHBondContact O-N 3.42Å; L205-V234 HydrophobicContact CD1-CB 4.12Å; L205-V234 HydrophobicContact CD1-CG1 4.08Å; L205-V234 HydrophobicContact CD1-CG2 3.93Å; L205-W256 HydrophobicContact CD1-CH2 4.04Å; L205-W256 HydrophobicContact CD1-CZ2 4.34Å
206	L	92.6	Very high	79.8	Confident	108 Å²	108	59.1 Å²	59.1	57%	0.565	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.1	174.6	-63.4	175.3	0	0	0	108.3	P225	L206-P225 HydrophobicContact CB-CB 3.93Å; L206-P225 HydrophobicContact CD1-CB 4.43Å; L206-P225 HydrophobicContact CD1-CG 4.17Å; L206-P225 HydrophobicContact CD2-CB 4.2Å; L206-P225 HydrophobicContact CD2-CG 4.38Å; L206-P225 HydrophobicContact CG-CB 4.41Å
207	L	92.3	Very high	77.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.4	178.6	-51.5	-178.7	0	0	0	109.5	F50 F67 W70 A71 F72 R227 V229	F50-L207 HydrophobicContact CE1-CD2 4.05Å; F50-L207 HydrophobicContact CZ-CD1 4.01Å; F50-L207 HydrophobicContact CZ-CD2 3.81Å; F67-L207 HydrophobicContact CD1-CD1 3.71Å; F67-L207 HydrophobicContact CE1-CD1 3.72Å; W70-L207 HydrophobicContact CB-CB 4.4Å; W70-L207 HydrophobicContact CB-CD1 4.27Å; W70-L207 HydrophobicContact CD2-CB 4.38Å; W70-L207 HydrophobicContact CE3-CB 3.7Å; W70-L207 HydrophobicContact CZ3-CB 4.44Å; A71-L207 WeakPolarHBondContact O-CA 3.28Å; F72-L207 HydrophobicContact CB-CD2 4.1Å; F72-L207 HydrophobicContact CD1-CD2 3.56Å; F72-L207 HydrophobicContact CE1-CD2 4.38Å; F72-L207 HydrophobicContact CG-CD2 4.19Å; L207-R227 HydrophobicContact CB-CB 4.26Å; L207-R227 HydrophobicContact CD1-CB 4.27Å; L207-R227 HydrophobicContact CD1-CG 4.01Å; L207-R227 PolarHBondContact N-O 3.18Å; L207-V229 HydrophobicContact CD1-CG1 3.98Å; L207-V229 HydrophobicContact CD1-CG2 4.31Å; L207-V229 HydrophobicContact CD2-CG2 4.14Å; L207-V229 HydrophobicContact CG-CG2 4.33Å
208	C	90.9	Very high	75	Confident	29 Å²	29	74 Å²	74	20%	0.196	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162.5	169.7	67.9	0	0	0	0	110.5	W58 W70 A71	W58-C208 WeakPolarHBondContact CZ3-SG 3.27Å; W70-C208 CarbonylContact C-O 3.54Å; W70-C208 WeakPolarHBondContact CA-O 3.45Å; A71-C208 PolarHBondContact N-O 3.23Å; A71-C208 PolarHBondContact O-N 2.93Å; A71-C208 PolarHBondContact O-SG 3.23Å
209	S	85.9	Confident	72.4	Confident	38 Å²	38	80.4 Å²	80.4	27%	0.266	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.6	173.3	-175.6	0	0	0	0	110.4	G69 L211 S212	G69-S209 CarbonylContact O-C 3.58Å; G69-S209 WeakPolarHBondContact O-CA 3.39Å; S209-L211 PolarHBondContact O-N 3.07Å; S209-S212 WeakPolarHBondContact O-CB 3.49Å; S209-S212 PolarHBondContact O-N 2.85Å; S209-S212 VanDerWaalsContact O-N 3.1Å
210	A	73.9	Confident	70.2	Confident	24 Å²	24	83.7 Å²	83.7	20%	0.198	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-61.7	-26	179.1	0	0	0	0	0	113.2	M60 G69 S212 I213	M60-A210 HydrophobicContact CE-CB 3.76Å; G69-A210 WeakPolarHBondContact O-CB 3.48Å; G69-A210 PolarHBondContact O-N 3.49Å; A210-S212 PolarHBondContact O-N 3.02Å; A210-I213 HydrophobicContact CB-CD1 4.28Å; A210-I213 WeakPolarHBondContact O-CB 3.34Å; A210-I213 WeakPolarHBondContact O-CG1 3.46Å; A210-I213 PolarHBondContact O-N 3.34Å; A210-I213 VanDerWaalsContact O-N 3.13Å
211	L	63.4	Low	68.4	Low	169 Å²	169	83.1 Å²	83.1	89%	0.885	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-67.3	-14.8	176.7	-65.8	172.4	0	0	0	113.3	S209	S209-L211 PolarHBondContact O-N 3.07Å
212	S	59.3	Low	66.9	Low	54 Å²	54	88 Å²	88	38%	0.378	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-91.9	1.5	175.9	-53.2	0	0	0	0	113.2	S209 A210 G214	S209-S212 WeakPolarHBondContact O-CB 3.49Å; S209-S212 PolarHBondContact O-N 2.85Å; S209-S212 VanDerWaalsContact O-N 3.1Å; A210-S212 PolarHBondContact O-N 3.02Å; S212-G214 PolarHBondContact O-N 2.83Å
213	I	60.6	Low	65.5	Low	52 Å²	52	86.9 Å²	86.9	27%	0.267	53%	0.527	S	S	.	.			trans	-87.8	81.7	-178.4	-54.3	175.4	0	0	0	108.8	W58 M60 A71 A210	W58-I213 HydrophobicContact CD2-CD1 3.92Å; W58-I213 HydrophobicContact CE3-CD1 3.86Å; W58-I213 HydrophobicContact CG-CD1 4.34Å; W58-I213 HydrophobicContact CZ3-CD1 4.32Å; M60-I213 HydrophobicContact SD-CD1 4.17Å; A71-I213 HydrophobicContact CB-CD1 3.86Å; A210-I213 HydrophobicContact CB-CD1 4.28Å; A210-I213 WeakPolarHBondContact O-CB 3.34Å; A210-I213 WeakPolarHBondContact O-CG1 3.46Å; A210-I213 PolarHBondContact O-N 3.34Å; A210-I213 VanDerWaalsContact O-N 3.13Å
214	G	53.9	Low	63.9	Low	36 Å²	36	88.5 Å²	88.5	37%	0.371	54%	0.537	S	S	.	.			trans	-92.9	161.7	169	0	0	0	0	0	112.4	S212 D216	S212-G214 PolarHBondContact O-N 2.83Å; G214-D216 PolarHBondContact O-N 2.95Å
215	P	50.8	Low	62.5	Low	138 Å²	138	87.9 Å²	87.9	90%	0.896	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.7	-179	24.5	-32.2	0	0	0	114.8
216	D	44.9	Very low	61.5	Low	148 Å²	148	90.5 Å²	90.5	79%	0.791	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	23.2	-173.9	-88.5	-33.2	0	0	0	114.6	G214 F218	G214-D216 PolarHBondContact O-N 2.95Å; D216-F218 PolarHBondContact O-N 3.14Å
217	V	49.9	Very low	61.3	Low	96 Å²	96	88.5 Å²	88.5	58%	0.582	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	63	177.2	-167.5	0	0	0	0	110.9
218	F	47	Very low	61.3	Low	216 Å²	216	91.8 Å²	91.8	95%	0.947	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	0.1	161.3	-101.7	-82.2	0	0	0	112.6	D216	D216-F218 PolarHBondContact O-N 3.14Å
219	D	40.8	Very low	61.3	Low	141 Å²	141	90.6 Å²	90.6	75%	0.754	55%	0.552	S	S	*	*	S	Bend	trans	-110.1	97.1	178	-165.4	15.5	0	0	0	111.5	S221	D219-S221 PolarHBondContact O-N 2.64Å
220	G	44.1	Very low	61.6	Low	76 Å²	76	90.8 Å²	90.8	78%	0.784	55%	0.552	S	S	*	*	S	Bend	trans	50.5	-15.5	137.7	0	0	0	0	0	123.4	I222	G220-I222 PolarHBondContact O-N 3.18Å
221	S	46.4	Very low	62.5	Low	109 Å²	109	90.5 Å²	90.5	76%	0.762	55%	0.548	S	S	*	.			trans	-105.5	74.6	-176	-128.6	0	0	0	0	110.5	D219 V223	D219-S221 PolarHBondContact O-N 2.64Å; S221-V223 PolarHBondContact O-N 3.47Å
222	I	52.1	Low	63.8	Low	151 Å²	151	85.9 Å²	85.9	77%	0.774	52%	0.523	S	S	*	.			trans	-67.9	112.1	174.6	-61.5	173.2	0	0	0	108.1	G220 A224	G220-I222 PolarHBondContact O-N 3.18Å; I222-A224 PolarHBondContact O-N 2.85Å
223	V	54.7	Low	65.3	Low	91 Å²	91	86.5 Å²	86.5	55%	0.552	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-55.5	122.3	160.9	178.9	0	0	0	0	107.2	S221	S221-V223 PolarHBondContact O-N 3.47Å
224	A	56.2	Low	66.8	Low	73 Å²	73	84 Å²	84	60%	0.603	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-52.4	129.9	-172.9	0	0	0	0	0	111.3	I222 S226	I222-A224 PolarHBondContact O-N 2.85Å; A224-S226 PolarHBondContact O-N 2.88Å; A224-S226 VanDerWaalsContact O-N 3.13Å; A224-S226 PolarHBondContact O-OG 2.87Å
225	P	61.4	Low	68.8	Low	65 Å²	65	83.1 Å²	83.1	42%	0.422	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.8	120.7	177.8	24.2	-32.1	0	0	0	108.7	L206	L206-P225 HydrophobicContact CB-CB 3.93Å; L206-P225 HydrophobicContact CD1-CB 4.43Å; L206-P225 HydrophobicContact CD1-CG 4.17Å; L206-P225 HydrophobicContact CD2-CB 4.2Å; L206-P225 HydrophobicContact CD2-CG 4.38Å; L206-P225 HydrophobicContact CG-CB 4.41Å
226	S	71.3	Confident	71.1	Confident	86 Å²	86	76.5 Å²	76.5	60%	0.601	45%	0.45	S	S	*	.			trans	-100.3	-9.9	-171.9	10.4	0	0	0	0	112.4	W70 A224	W70-S226 VanDerWaalsContact CH2-OG 3.31Å; W70-S226 WeakPolarHBondContact CH2-OG 3.26Å; W70-S226 WeakPolarHBondContact CZ3-OG 3.46Å; A224-S226 PolarHBondContact O-N 2.88Å; A224-S226 VanDerWaalsContact O-N 3.13Å; A224-S226 PolarHBondContact O-OG 2.87Å
227	R	88.1	Confident	73.6	Confident	67 Å²	67	70.2 Å²	70.2	25%	0.253	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.7	178.5	-169.3	172.1	-175.7	-179.4	3.2	110.8	E66 F67 W70 L207	E66-R227 PolarHBondContact O-NH1 2.7Å; E66-R227 IonicContact OE2-CZ 3.05Å; E66-R227 IonicContact OE2-NH2 2.8Å; E66-R227 PolarHBondContact OE2-NH2 3.03Å; F67-R227 VanDerWaalsContact CZ-NH2 3.28Å; W70-R227 HydrophobicContact CE3-CB 4.25Å; W70-R227 HydrophobicContact CH2-CB 4.14Å; W70-R227 HydrophobicContact CZ2-CB 4.42Å; W70-R227 HydrophobicContact CZ3-CB 4.04Å; L207-R227 HydrophobicContact CB-CB 4.26Å; L207-R227 HydrophobicContact CD1-CB 4.27Å; L207-R227 HydrophobicContact CD1-CG 4.01Å; L207-R227 PolarHBondContact N-O 3.18Å
228	S	90.8	Very high	75.9	Confident	69 Å²	69	65.7 Å²	65.7	48%	0.483	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.2	171.2	65.5	0	0	0	0	110.3	L205	L205-S228 VanDerWaalsContact O-CA 3.25Å; L205-S228 WeakPolarHBondContact O-CA 3.26Å
229	V	91.9	Very high	78.4	Confident	3 Å²	3	59 Å²	59	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.3	175.6	-67.3	0	0	0	0	110.3	Y48 F67 S204 L205 L207 C231 V234	Y48-V229 HydrophobicContact CD2-CB 3.85Å; Y48-V229 HydrophobicContact CD2-CG1 4Å; Y48-V229 HydrophobicContact CE2-CB 3.96Å; Y48-V229 HydrophobicContact CE2-CG1 4.02Å; Y48-V229 HydrophobicContact CG-CG1 4.47Å; F67-V229 HydrophobicContact CE1-CG1 3.68Å; F67-V229 HydrophobicContact CZ-CG1 3.99Å; S204-V229 CarbonylContact C-O 3.26Å; S204-V229 VanDerWaalsContact CA-O 3.26Å; S204-V229 WeakPolarHBondContact CA-O 3.21Å; L205-V229 HydrophobicContact CB-CG2 4.03Å; L205-V229 PolarHBondContact N-O 2.91Å; L205-V229 PolarHBondContact O-N 3.42Å; L207-V229 HydrophobicContact CD1-CG1 3.98Å; L207-V229 HydrophobicContact CD1-CG2 4.31Å; L207-V229 HydrophobicContact CD2-CG2 4.14Å; L207-V229 HydrophobicContact CG-CG2 4.33Å; V229-C231 PolarHBondContact O-N 3.25Å; V229-V234 HydrophobicContact CB-CG2 4.38Å; V229-V234 HydrophobicContact CG2-CG2 3.65Å
230	P	92.8	Very high	81.1	Confident	43 Å²	43	52.4 Å²	52.4	28%	0.279	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	130.7	173.7	-24.8	33.5	0	0	0	111.9	G203 Q232 E233	G203-P230 WeakPolarHBondContact O-CA 3.33Å; P230-Q232 PolarHBondContact O-N 3.06Å; P230-Q232 VanDerWaalsContact O-N 3.15Å; P230-E233 HydrophobicContact CB-CB 4.42Å; P230-E233 HydrophobicContact CB-CG 4.22Å; P230-E233 PolarHBondContact O-N 2.93Å
231	C	91.3	Very high	83.7	Confident	17 Å²	17	51 Å²	51	12%	0.115	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-55.7	-35.8	-179.8	-62.4	0	0	0	0	112.5	G203 V229 E233 V234	G203-C231 PolarHBondContact O-N 2.85Å; V229-C231 PolarHBondContact O-N 3.25Å; C231-E233 PolarHBondContact O-N 3.41Å; C231-V234 PolarHBondContact O-N 3.48Å
232	Q	91.3	Very high	86.2	Confident	73 Å²	73	47.1 Å²	47.1	34%	0.341	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-70.3	-16.8	-177.7	-65.8	129.6	-27.7	0	0	114.3	K46 C199 E200 A201 P202 P230	K46-Q232 WeakPolarHBondContact CD-O 3.26Å; K46-Q232 WeakPolarHBondContact CE-O 3.08Å; K46-Q232 PolarHBondContact NZ-O 3.19Å; C199-Q232 WeakPolarHBondContact O-CA 3.45Å; E200-Q232 WeakPolarHBondContact O-CG 3.41Å; E200-Q232 PolarHBondContact O-NE2 3.24Å; E200-Q232 VanDerWaalsContact O-NE2 3.12Å; A201-Q232 WeakPolarHBondContact O-CG 3.38Å; A201-Q232 PolarHBondContact O-NE2 2.9Å; P202-Q232 VanDerWaalsContact N-NE2 3.2Å; P230-Q232 PolarHBondContact O-N 3.06Å; P230-Q232 VanDerWaalsContact O-N 3.15Å
233	E	91.1	Very high	88.4	Confident	67 Å²	67	42.6 Å²	42.6	31%	0.313	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-94.8	-3.6	179.2	-69.4	-177.9	-155.3	0	0	112.3	K46 K47 Y48 P230 C231	K46-E233 CarbonylContact C-O 3.59Å; K47-E233 HydrophobicContact CB-CB 4.17Å; K47-E233 WeakPolarHBondContact CD-OE2 3.42Å; K47-E233 PolarHBondContact N-O 3.48Å; Y48-E233 HydrophobicContact CD2-CB 3.57Å; Y48-E233 HydrophobicContact CE2-CB 3.51Å; Y48-E233 HydrophobicContact CE2-CG 4.32Å; Y48-E233 WeakPolarHBondContact CE2-OE2 3.32Å; Y48-E233 PolarHBondContact N-O 2.86Å; Y48-E233 PolarHBondContact OH-OE2 3.34Å; P230-E233 HydrophobicContact CB-CB 4.42Å; P230-E233 HydrophobicContact CB-CG 4.22Å; P230-E233 PolarHBondContact O-N 2.93Å; C231-E233 PolarHBondContact O-N 3.41Å
234	V	93.3	Very high	90.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.9	-175.6	174.4	0	0	0	0	112.1	Y48 F50 F72 L205 V229 C231 V236 W256	Y48-V234 HydrophobicContact CD2-CG2 4.16Å; Y48-V234 CarbonylContact O-C 3.51Å; Y48-V234 WeakPolarHBondContact O-CA 3.1Å; F50-V234 HydrophobicContact CD2-CG1 3.92Å; F50-V234 HydrophobicContact CE2-CG1 4.3Å; F50-V234 HydrophobicContact CE2-CG2 4.3Å; F72-V234 HydrophobicContact CE1-CG1 4.33Å; F72-V234 HydrophobicContact CZ-CG1 3.98Å; L205-V234 HydrophobicContact CD1-CB 4.12Å; L205-V234 HydrophobicContact CD1-CG1 4.08Å; L205-V234 HydrophobicContact CD1-CG2 3.93Å; V229-V234 HydrophobicContact CB-CG2 4.38Å; V229-V234 HydrophobicContact CG2-CG2 3.65Å; C231-V234 PolarHBondContact O-N 3.48Å; V234-V236 HydrophobicContact CG1-CG2 4.02Å; V234-W256 HydrophobicContact CG1-CH2 4.21Å; V234-W256 HydrophobicContact CG1-CZ3 4.41Å
235	E	95.8	Very high	92.6	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129	161.5	-169.6	175	110.9	0	0	109.4	K46 Y48 H49 F50 S196 M197 H261	K46-E235 HydrophobicContact CB-CB 3.83Å; K46-E235 HydrophobicContact CG-CB 4.02Å; Y48-E235 PolarHBondContact O-N 3.14Å; H49-E235 WeakPolarHBondContact CA-O 3.48Å; F50-E235 PolarHBondContact N-O 2.92Å; S196-E235 VanDerWaalsContact CB-CD 3.44Å; S196-E235 WeakPolarHBondContact CB-OE1 3.45Å; S196-E235 VanDerWaalsContact OG-CD 3.31Å; S196-E235 PolarHBondContact OG-OE1 2.86Å; M197-E235 CarbonylContact O-C 3.57Å; M197-E235 WeakPolarHBondContact O-CA 3.4Å; E235-H261 IonicContact OE1-CD2 3.6Å; E235-H261 IonicContact OE1-NE2 2.66Å; E235-H261 PolarHBondContact OE1-NE2 2.86Å; E235-H261 IonicContact OE2-CE1 3.25Å; E235-H261 IonicContact OE2-NE2 3.72Å; E235-H261 PolarHBondContact OE2-NE2 2.75Å
236	V	97.8	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.4	171.1	-176.2	0	0	0	0	108.9	F50 A59 F72 F74 M197 V234 W256	F50-V236 HydrophobicContact CB-CG2 4.41Å; F50-V236 CarbonylContact O-C 3.49Å; F50-V236 WeakPolarHBondContact O-CA 3.4Å; A59-V236 HydrophobicContact CB-CG1 3.88Å; A59-V236 HydrophobicContact CB-CG2 4.03Å; F72-V236 HydrophobicContact CE2-CG2 4.34Å; F72-V236 HydrophobicContact CZ-CG2 3.62Å; F74-V236 HydrophobicContact CD1-CG1 4.11Å; F74-V236 HydrophobicContact CD2-CG1 4.5Å; F74-V236 HydrophobicContact CD2-CG2 4.01Å; F74-V236 HydrophobicContact CE1-CB 4.32Å; F74-V236 HydrophobicContact CE1-CG1 4.06Å; F74-V236 HydrophobicContact CE2-CB 4.15Å; F74-V236 HydrophobicContact CE2-CG1 4.45Å; F74-V236 HydrophobicContact CE2-CG2 3.73Å; F74-V236 HydrophobicContact CG-CG1 4.32Å; F74-V236 HydrophobicContact CZ-CB 4.02Å; F74-V236 HydrophobicContact CZ-CG1 4.25Å; F74-V236 HydrophobicContact CZ-CG2 4.13Å; M197-V236 HydrophobicContact CB-CB 4.23Å; M197-V236 PolarHBondContact N-O 3.21Å; M197-V236 PolarHBondContact O-N 3.24Å; V234-V236 HydrophobicContact CG1-CG2 4.02Å; V236-W256 HydrophobicContact CG2-CH2 4.23Å; V236-W256 HydrophobicContact CG2-CZ3 4.01Å
237	A	98.1	Very high	95.7	Very high	16 Å²	16	28.3 Å²	28.3	13%	0.132	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.7	178.9	0	0	0	0	0	110.6	F50 L51 Y52 V194	F50-A237 PolarHBondContact O-N 3.38Å; L51-A237 HydrophobicContact CD2-CB 4.01Å; Y52-A237 PolarHBondContact N-O 3.33Å; V194-A237 HydrophobicContact CG1-CB 3.59Å
238	I	98.6	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.6	172.9	-54.7	168.3	0	0	0	107.8	Y52 F74 V77 V194 V195 M197 V240 L246 L248	Y52-I238 HydrophobicContact CD1-CG1 4.25Å; Y52-I238 HydrophobicContact CD1-CG2 4.08Å; Y52-I238 HydrophobicContact CG-CG1 4.15Å; F74-I238 HydrophobicContact CE1-CD1 4.46Å; V77-I238 HydrophobicContact CG1-CD1 3.86Å; V77-I238 HydrophobicContact CG1-CG2 4.48Å; V77-I238 HydrophobicContact CG2-CD1 3.99Å; V194-I238 CarbonylContact C-O 3.51Å; V194-I238 WeakPolarHBondContact CA-O 3.29Å; V195-I238 HydrophobicContact CB-CB 4.38Å; V195-I238 PolarHBondContact N-O 3.19Å; V195-I238 PolarHBondContact O-N 3.12Å; M197-I238 HydrophobicContact CG-CD1 3.47Å; M197-I238 VanDerWaalsContact CG-CD1 3.47Å; M197-I238 HydrophobicContact CG-CG1 4.08Å; M197-I238 HydrophobicContact SD-CD1 3.9Å; I238-V240 HydrophobicContact CG2-CG2 4.03Å; I238-V240 PolarHBondContact O-N 2.9Å; I238-L246 HydrophobicContact CG2-CD1 4.13Å; I238-L248 HydrophobicContact CD1-CD2 4.37Å
239	C	98.5	Very high	96.5	Very high	75 Å²	75	24 Å²	24	51%	0.507	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.1	171.8	-67.5	0	0	0	0	109.6	L79	L79-C239 WeakPolarHBondContact CD2-O 3.43Å
240	V	98.7	Very high	96.8	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	97.5	-177.3	-172.2	0	0	0	0	108.6	L79 N188 A192 T193 V195 I238 S244 L246	L79-V240 HydrophobicContact CD1-CG1 4.23Å; N188-V240 HydrophobicContact CB-CG1 3.54Å; N188-V240 PolarHBondContact ND2-O 3.11Å; A192-V240 VanDerWaalsContact CA-O 3.28Å; A192-V240 WeakPolarHBondContact CA-O 3.47Å; T193-V240 HydrophobicContact CG2-CB 4.13Å; T193-V240 PolarHBondContact N-O 3Å; T193-V240 PolarHBondContact O-N 2.98Å; V195-V240 HydrophobicContact CB-CG2 4.35Å; V195-V240 HydrophobicContact CG2-CG2 3.78Å; I238-V240 HydrophobicContact CG2-CG2 4.03Å; I238-V240 PolarHBondContact O-N 2.9Å; V240-S244 VanDerWaalsContact CG1-OG 3.23Å; V240-S244 WeakPolarHBondContact CG1-OG 3.36Å; V240-L246 HydrophobicContact CG2-CD2 4.08Å
241	P	98.6	Very high	97	Very high	46 Å²	46	24.5 Å²	24.5	30%	0.299	15%	0.147	S	C	.	.			trans	-61.2	162.3	177.1	-23.2	34.9	0	0	0	112.9	N188 S244	N188-P241 VanDerWaalsContact ND2-C 3.3Å; N188-P241 PolarHBondContact ND2-O 2.96Å; P241-S244 PolarHBondContact O-OG 3.14Å
242	C	98.4	Very high	97.3	Very high	28 Å²	28	23.7 Å²	23.7	19%	0.189	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	151.1	166	55	0	0	0	0	110.5	S244	C242-S244 PolarHBondContact O-N 2.98Å
243	R	98.8	Very high	97.6	Very high	56 Å²	56	20.5 Å²	20.5	21%	0.211	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	13.8	-178.1	-56.3	176.7	-65.8	-75.1	-5.8	115.8	D82 F83 V84 E89 N188	D82-R243 CarbonylContact C-O 3.45Å; F83-R243 WeakPolarHBondContact CB-O 3.38Å; F83-R243 PolarHBondContact N-O 3.43Å; V84-R243 HydrophobicContact CG2-CB 3.74Å; V84-R243 HydrophobicContact CG2-CG 3.86Å; V84-R243 PolarHBondContact N-O 3.21Å; V84-R243 WeakPolarHBondContact O-CB 3.45Å; V84-R243 WeakPolarHBondContact O-CD 3.47Å; E89-R243 HydrophobicContact CB-CG 4.05Å; E89-R243 HydrophobicContact CG-CG 4.26Å; E89-R243 VanDerWaalsContact OE1-CG 3.26Å; E89-R243 WeakPolarHBondContact OE1-CG 3.4Å; E89-R243 WeakPolarHBondContact OE2-CD 3.45Å; E89-R243 VanDerWaalsContact OE2-CG 3.26Å; E89-R243 WeakPolarHBondContact OE2-CG 3.36Å; E89-R243 IonicContact OE2-CZ 3.31Å; E89-R243 IonicContact OE2-NH1 3.82Å; E89-R243 PolarHBondContact OE2-NH1 3.47Å; N188-R243 VanDerWaalsContact O-CA 3.23Å; N188-R243 WeakPolarHBondContact O-CA 3.49Å; N188-R243 PolarHBondContact O-N 3.31Å
244	S	98.8	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-95.9	148.2	177.6	69.6	0	0	0	0	112.8	I80 N188 V240 P241 C242	I80-S244 CarbonylContact O-C 3.57Å; I80-S244 WeakPolarHBondContact O-CA 3.31Å; I80-S244 VanDerWaalsContact O-CB 3.26Å; I80-S244 WeakPolarHBondContact O-CB 3.39Å; N188-S244 PolarHBondContact N-O 2.63Å; V240-S244 VanDerWaalsContact CG1-OG 3.23Å; V240-S244 WeakPolarHBondContact CG1-OG 3.36Å; P241-S244 PolarHBondContact O-OG 3.14Å; C242-S244 PolarHBondContact O-N 2.98Å
245	L	98.8	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.9	169.1	-161.7	75.9	0	0	0	110	L79 I80 F83 M143 L149 V185 L187 V247	L79-L245 WeakPolarHBondContact CA-O 3.43Å; I80-L245 HydrophobicContact CB-CB 4.2Å; I80-L245 HydrophobicContact CD1-CB 4.45Å; I80-L245 HydrophobicContact CD1-CD2 4.07Å; I80-L245 PolarHBondContact N-O 3.14Å; I80-L245 PolarHBondContact O-N 2.83Å; F83-L245 HydrophobicContact CB-CB 3.92Å; F83-L245 HydrophobicContact CD1-CB 4.09Å; F83-L245 HydrophobicContact CD1-CD1 4.11Å; F83-L245 HydrophobicContact CD1-CG 4.49Å; F83-L245 HydrophobicContact CD2-CB 3.93Å; F83-L245 HydrophobicContact CD2-CD2 4.01Å; F83-L245 HydrophobicContact CD2-CG 4.5Å; F83-L245 HydrophobicContact CE1-CD1 4.14Å; F83-L245 HydrophobicContact CE1-CD2 4.35Å; F83-L245 HydrophobicContact CE2-CD2 3.75Å; F83-L245 HydrophobicContact CG-CB 3.69Å; F83-L245 HydrophobicContact CG-CD2 4.39Å; F83-L245 HydrophobicContact CG-CG 4.44Å; F83-L245 HydrophobicContact CZ-CD2 3.96Å; M143-L245 HydrophobicContact CE-CD1 3.79Å; M143-L245 HydrophobicContact CG-CD2 3.98Å; L149-L245 HydrophobicContact CD1-CD2 3.95Å; V185-L245 HydrophobicContact CG1-CD1 3.54Å; V185-L245 HydrophobicContact CG1-CD2 3.81Å; V185-L245 HydrophobicContact CG1-CG 3.73Å; L187-L245 HydrophobicContact CB-CD1 3.93Å; L187-L245 HydrophobicContact CD1-CD1 4.23Å; L245-V247 HydrophobicContact CD2-CG2 4.25Å; L245-V247 HydrophobicContact CG-CG2 4.5Å
246	L	98.9	Very high	98	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.8	170.6	176.9	65.3	0	0	0	109.3	V77 L79 V185 S186 V195 I238 V240 L248	V77-L246 HydrophobicContact CG1-CD1 3.84Å; L79-L246 HydrophobicContact CD1-CB 4.39Å; L79-L246 HydrophobicContact CD1-CD1 4.43Å; V185-L246 CarbonylContact C-O 3.57Å; V185-L246 WeakPolarHBondContact CA-O 2.99Å; S186-L246 PolarHBondContact N-O 2.8Å; S186-L246 PolarHBondContact O-N 2.91Å; V195-L246 HydrophobicContact CB-CD2 4.41Å; V195-L246 HydrophobicContact CG2-CD2 4.03Å; I238-L246 HydrophobicContact CG2-CD1 4.13Å; V240-L246 HydrophobicContact CG2-CD2 4.08Å; L246-L248 HydrophobicContact CD1-CD2 4.11Å; L246-L248 HydrophobicContact CD2-CD2 4.35Å; L246-L248 HydrophobicContact CG-CD2 4.2Å; L246-L248 HydrophobicContact CG-CG 4.4Å
247	V	98.8	Very high	98	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.2	174	-172.5	0	0	0	0	108.6	V77 T78 L149 L184 V185 L245 T249	V77-V247 WeakPolarHBondContact CA-O 3.47Å; T78-V247 PolarHBondContact N-O 2.83Å; T78-V247 PolarHBondContact O-N 2.99Å; L149-V247 HydrophobicContact CD1-CG2 3.93Å; L149-V247 HydrophobicContact CD2-CG1 4.04Å; L149-V247 HydrophobicContact CD2-CG2 4.32Å; L149-V247 HydrophobicContact CG-CG2 4.47Å; L184-V247 WeakPolarHBondContact O-CA 3.5Å; V185-V247 HydrophobicContact CG1-CG2 4.41Å; V185-V247 HydrophobicContact CG2-CG1 4.17Å; V185-V247 HydrophobicContact CG2-CG2 4.3Å; L245-V247 HydrophobicContact CD2-CG2 4.25Å; L245-V247 HydrophobicContact CG-CG2 4.5Å; V247-T249 HydrophobicContact CG1-CG2 4.11Å
248	L	98.8	Very high	98	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.7	171.3	-53.6	177.8	0	0	0	109.7	G76 V77 L184 M197 I238 L246 A252 R253	G76-L248 CarbonylContact O-C 3.6Å; G76-L248 WeakPolarHBondContact O-CA 3.29Å; V77-L248 HydrophobicContact CB-CD2 4.47Å; V77-L248 HydrophobicContact CG1-CD2 4.29Å; V77-L248 HydrophobicContact CG2-CD2 3.9Å; L184-L248 HydrophobicContact CB-CB 4.26Å; L184-L248 HydrophobicContact CD2-CD1 4.4Å; L184-L248 PolarHBondContact N-O 3.22Å; L184-L248 PolarHBondContact O-N 3.28Å; M197-L248 HydrophobicContact CE-CD1 4.03Å; M197-L248 HydrophobicContact CE-CD2 4.32Å; M197-L248 HydrophobicContact SD-CD1 4.38Å; I238-L248 HydrophobicContact CD1-CD2 4.37Å; L246-L248 HydrophobicContact CD1-CD2 4.11Å; L246-L248 HydrophobicContact CD2-CD2 4.35Å; L246-L248 HydrophobicContact CG-CD2 4.2Å; L246-L248 HydrophobicContact CG-CG 4.4Å; L248-A252 HydrophobicContact CD2-CB 4.36Å; L248-R253 HydrophobicContact CB-CB 4.5Å
249	T	98.5	Very high	97.9	Very high	39 Å²	39	28.2 Å²	28.2	24%	0.239	16%	0.161	C	C	.	.			trans	-137.3	171.1	176.8	57.6	0	0	0	0	110.6	G76 R183 V247 A251 A252 R253	G76-T249 WeakPolarHBondContact CA-O 2.98Å; G76-T249 WeakPolarHBondContact CA-OG1 3.36Å; G76-T249 PolarHBondContact O-N 3.17Å; R183-T249 HydrophobicContact CB-CG2 4.39Å; R183-T249 HydrophobicContact CG-CG2 3.63Å; V247-T249 HydrophobicContact CG1-CG2 4.11Å; T249-A251 PolarHBondContact O-N 3.01Å; T249-A252 PolarHBondContact O-N 3.06Å; T249-R253 PolarHBondContact O-N 2.72Å; T249-R253 VanDerWaalsContact O-N 3.13Å
250	G	97.4	Very high	97.9	Very high	28 Å²	28	25.1 Å²	25.1	29%	0.289	14%	0.139	S	C	.	.	H	α-helix	trans	53.1	-131.1	172.1	0	0	0	0	0	113.2	E182 A252 R253 H254	E182-G250 VanDerWaalsContact OE1-CA 3.31Å; E182-G250 WeakPolarHBondContact OE1-CA 3.33Å; E182-G250 PolarHBondContact OE1-N 2.66Å; G250-A252 VanDerWaalsContact C-N 3.33Å; G250-A252 PolarHBondContact O-N 3.21Å; G250-R253 PolarHBondContact O-N 2.76Å; G250-H254 PolarHBondContact O-CD2 3.24Å; G250-H254 PolarHBondContact O-N 3.5Å
251	A	96.1	Very high	97.8	Very high	29 Å²	29	26.6 Å²	26.6	24%	0.24	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-43.6	-179.7	0	0	0	0	0	112	T249 R253 H254 Q255 W256	T249-A251 PolarHBondContact O-N 3.01Å; A251-R253 PolarHBondContact O-N 3.15Å; A251-H254 PolarHBondContact O-N 3.04Å; A251-Q255 WeakPolarHBondContact O-CA 3.26Å; A251-Q255 WeakPolarHBondContact O-CB 3.26Å; A251-Q255 PolarHBondContact O-N 2.9Å; A251-W256 PolarHBondContact O-N 2.83Å
252	A	97.8	Very high	97.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-33.2	179.7	0	0	0	0	0	112.5	G76 V77 M197 L248 T249 G250	G76-A252 WeakPolarHBondContact O-CB 3.25Å; V77-A252 HydrophobicContact CG2-CB 3.75Å; M197-A252 HydrophobicContact CE-CB 4.27Å; M197-A252 VanDerWaalsContact CE-O 3.28Å; M197-A252 WeakPolarHBondContact CE-O 3.29Å; L248-A252 HydrophobicContact CD2-CB 4.36Å; T249-A252 PolarHBondContact O-N 3.06Å; G250-A252 VanDerWaalsContact C-N 3.33Å; G250-A252 PolarHBondContact O-N 3.21Å
253	R	97.4	Very high	97.5	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-75.2	-47.3	174.7	173	62	-169.3	-99.8	-5.1	113.2	G181 E182 R183 L184 L248 T249 G250 A251	G181-R253 VanDerWaalsContact O-CZ 3.31Å; G181-R253 PolarHBondContact O-NH1 3.34Å; G181-R253 PolarHBondContact O-NH2 2.78Å; E182-R253 WeakPolarHBondContact O-CG 3.44Å; R183-R253 VanDerWaalsContact C-NH1 3.32Å; R183-R253 PolarHBondContact O-NH1 2.93Å; L184-R253 VanDerWaalsContact CB-NH1 3.27Å; L248-R253 HydrophobicContact CB-CB 4.5Å; T249-R253 PolarHBondContact O-N 2.72Å; T249-R253 VanDerWaalsContact O-N 3.13Å; G250-R253 PolarHBondContact O-N 2.76Å; A251-R253 PolarHBondContact O-N 3.15Å
254	H	96.4	Very high	97.4	Very high	72 Å²	72	32.5 Å²	32.5	33%	0.333	16%	0.16	S	C	.	.	H	α-helix	trans	-102.8	-20.3	-162	-63.9	-65.4	0	0	0	114.4	E182 G250 A251	E182-H254 IonicContact OE2-CD2 3.85Å; E182-H254 IonicContact OE2-CE1 2.77Å; E182-H254 IonicContact OE2-NE2 2.78Å; E182-H254 PolarHBondContact OE2-NE2 2.81Å; G250-H254 PolarHBondContact O-CD2 3.24Å; G250-H254 PolarHBondContact O-N 3.5Å; A251-H254 PolarHBondContact O-N 3.04Å
255	Q	95.6	Very high	97.4	Very high	121 Å²	121	32.9 Å²	32.9	57%	0.565	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117	-27.4	-173.1	-56.5	177.1	6.2	0	0	112.4	A251	A251-Q255 WeakPolarHBondContact O-CA 3.26Å; A251-Q255 WeakPolarHBondContact O-CB 3.26Å; A251-Q255 PolarHBondContact O-N 2.9Å
256	W	97	Very high	97.3	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.068	19%	0.194	C	C	.	.	S	Bend	trans	-101.3	117.8	-179.4	-68.4	75	0	0	0	110.7	F74 L174 M197 S198 C199 L205 V234 V236 A251	F74-W256 HydrophobicContact CD2-CZ2 4.35Å; F74-W256 AromaticContact CE2-CD2 3.65Å; F74-W256 HydrophobicContact CE2-CD2 3.65Å; F74-W256 AromaticContact CE2-CE2 3.54Å; F74-W256 AromaticContact CE2-CE3 3.82Å; F74-W256 HydrophobicContact CE2-CE3 3.82Å; F74-W256 HydrophobicContact CE2-CG 4.32Å; F74-W256 AromaticContact CE2-CH2 3.81Å; F74-W256 HydrophobicContact CE2-CH2 3.81Å; F74-W256 AromaticContact CE2-CZ2 3.64Å; F74-W256 HydrophobicContact CE2-CZ2 3.64Å; F74-W256 AromaticContact CE2-CZ3 3.9Å; F74-W256 HydrophobicContact CE2-CZ3 3.9Å; F74-W256 AromaticContact CZ-CD2 3.89Å; F74-W256 HydrophobicContact CZ-CD2 3.89Å; F74-W256 AromaticContact CZ-CE3 3.98Å; F74-W256 HydrophobicContact CZ-CE3 3.98Å; F74-W256 HydrophobicContact CZ-CG 4.24Å; F74-W256 HydrophobicContact CZ-CZ3 4.4Å; L174-W256 WeakPolarHBondContact CD2-O 3.34Å; M197-W256 HydrophobicContact CB-CB 4.45Å; M197-W256 HydrophobicContact CB-CE3 3.91Å; M197-W256 HydrophobicContact CE-CB 3.76Å; S198-W256 CarbonylContact O-C 3.54Å; C199-W256 HydrophobicContact CB-CD2 3.96Å; C199-W256 HydrophobicContact CB-CE3 4.03Å; C199-W256 HydrophobicContact CB-CH2 4.27Å; C199-W256 HydrophobicContact CB-CZ2 4.2Å; C199-W256 HydrophobicContact CB-CZ3 4.19Å; L205-W256 HydrophobicContact CD1-CH2 4.04Å; L205-W256 HydrophobicContact CD1-CZ2 4.34Å; V234-W256 HydrophobicContact CG1-CH2 4.21Å; V234-W256 HydrophobicContact CG1-CZ3 4.41Å; V236-W256 HydrophobicContact CG2-CH2 4.23Å; V236-W256 HydrophobicContact CG2-CZ3 4.01Å; A251-W256 PolarHBondContact O-N 2.83Å
257	T	97.4	Very high	97.3	Very high	21 Å²	21	40 Å²	40	13%	0.129	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.2	167.8	61.1	0	0	0	0	109.8	H173 L174 M197 S198	H173-T257 CarbonylContact O-C 3.55Å; H173-T257 WeakPolarHBondContact O-CA 3.5Å; L174-T257 HydrophobicContact CD2-CG2 4.47Å; L174-T257 HydrophobicContact CG-CG2 4.04Å; M197-T257 CarbonylContact C-O 3.45Å; M197-T257 WeakPolarHBondContact CA-O 3.44Å; S198-T257 PolarHBondContact N-O 2.84Å; S198-T257 PolarHBondContact O-N 2.94Å; S198-T257 PolarHBondContact O-OG1 3.46Å
258	H	98	Very high	97.3	Very high	27 Å²	27	44 Å²	44	13%	0.125	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.7	175.9	63.1	-84.4	0	0	0	110.7	P172 H173 D175 V195 S196 M197	P172-H258 WeakPolarHBondContact CA-O 3.33Å; H173-H258 AromaticContact CE1-CD2 3.58Å; H173-H258 AromaticContact CE1-CE1 3.87Å; H173-H258 AromaticContact CE1-NE2 3.21Å; H173-H258 PolarHBondContact CE1-NE2 2.73Å; H173-H258 PolarHBondContact N-O 2.86Å; H173-H258 PolarHBondContact ND1-O 3.13Å; H173-H258 VanDerWaalsContact ND1-O 3.12Å; H173-H258 AromaticContact NE2-CE1 3.71Å; H173-H258 AromaticContact NE2-NE2 3.24Å; H173-H258 PolarHBondContact NE2-NE2 2.7Å; H173-H258 PolarHBondContact O-N 2.79Å; H173-H258 PolarHBondContact O-ND1 3.28Å; D175-H258 IonicContact OD1-CE1 3.28Å; D175-H258 PolarHBondContact OD1-CE1 3.18Å; D175-H258 IonicContact OD1-NE2 2.73Å; V195-H258 HydrophobicContact CG1-CB 4.06Å; S196-H258 CarbonylContact O-C 3.58Å; S196-H258 WeakPolarHBondContact O-CA 3.43Å; M197-H258 HydrophobicContact CE-CB 4.22Å; M197-H258 HydrophobicContact SD-CB 3.64Å
259	A	97.4	Very high	97.3	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.7	-177.4	0	0	0	0	0	111.1	I170 P172 V195 S196	I170-A259 WeakPolarHBondContact O-CA 3.41Å; P172-A259 HydrophobicContact CB-CB 4.26Å; P172-A259 HydrophobicContact CG-CB 3.81Å; V195-A259 WeakPolarHBondContact CA-O 3.16Å; S196-A259 PolarHBondContact N-O 3.48Å; S196-A259 PolarHBondContact O-N 2.98Å
260	I	97.8	Very high	97.3	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.046	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	117.7	166.5	-58.4	174.7	0	0	0	106.6	Y162 A169 I170 T193 V195 I265 R269	Y162-I260 HydrophobicContact CE1-CD1 4.04Å; A169-I260 CarbonylContact C-O 3.55Å; A169-I260 WeakPolarHBondContact CB-O 3.28Å; I170-I260 HydrophobicContact CG2-CB 3.76Å; I170-I260 HydrophobicContact CG2-CD1 4.12Å; I170-I260 HydrophobicContact CG2-CG1 3.73Å; I170-I260 VanDerWaalsContact CG2-N 3.32Å; I170-I260 PolarHBondContact N-O 3.31Å; I170-I260 PolarHBondContact O-N 3.44Å; I170-I260 VanDerWaalsContact O-O 3.1Å; T193-I260 WeakPolarHBondContact OG1-CG2 3.48Å; V195-I260 HydrophobicContact CG2-CG1 4.4Å; I260-I265 HydrophobicContact CG2-CD1 3.71Å; I260-I265 HydrophobicContact CG2-CG1 4.01Å; I260-R269 VanDerWaalsContact CD1-NH1 3.26Å
261	H	96.1	Very high	97.3	Very high	34 Å²	34	41 Å²	41	16%	0.157	20%	0.2	C	C	.	.			trans	-78.8	147.6	178.9	-63.7	-60.6	0	0	0	111.2	S196 E235 R263 H264	S196-H261 PolarHBondContact OG-CD2 2.72Å; S196-H261 PolarHBondContact OG-NE2 2.94Å; E235-H261 IonicContact OE1-CD2 3.6Å; E235-H261 IonicContact OE1-NE2 2.66Å; E235-H261 PolarHBondContact OE1-NE2 2.86Å; E235-H261 IonicContact OE2-CE1 3.25Å; E235-H261 IonicContact OE2-NE2 3.72Å; E235-H261 PolarHBondContact OE2-NE2 2.75Å; H261-R263 HydrophobicContact CB-CG 3.89Å; H261-R263 PolarHBondContact O-N 3.31Å; H261-R263 VanDerWaalsContact O-N 3.15Å; H261-H264 AromaticContact CD2-CE1 3.74Å; H261-H264 AromaticContact CD2-ND1 3.98Å; H261-H264 WeakPolarHBondContact O-CB 3.44Å; H261-H264 PolarHBondContact O-N 3.48Å
262	R	95.3	Very high	97.5	Very high	61 Å²	61	39.7 Å²	39.7	23%	0.23	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.3	-39.2	179.2	-64.9	-173.9	-179	164.8	1.9	112.7	T26 E31 G167 A169 H264 I265	T26-R262 PolarHBondContact O-NH2 2.77Å; T26-R262 PolarHBondContact OG1-NH2 3.42Å; E31-R262 VanDerWaalsContact CD-NH1 3.32Å; E31-R262 IonicContact OE1-CZ 2.66Å; E31-R262 VanDerWaalsContact OE1-CZ 3.25Å; E31-R262 IonicContact OE1-NH1 2.94Å; E31-R262 PolarHBondContact OE1-NH1 3.31Å; E31-R262 IonicContact OE1-NH2 3.38Å; E31-R262 PolarHBondContact OE1-NH2 3.12Å; E31-R262 IonicContact OE2-NH1 3.91Å; E31-R262 PolarHBondContact OE2-NH1 3.05Å; G167-R262 WeakPolarHBondContact O-CD 3.23Å; G167-R262 WeakPolarHBondContact O-CG 3.44Å; G167-R262 PolarHBondContact O-NE 3.22Å; G167-R262 VanDerWaalsContact O-NE 3.12Å; A169-R262 HydrophobicContact CB-CB 4.33Å; A169-R262 HydrophobicContact CB-CG 3.5Å; R262-H264 PolarHBondContact O-N 2.87Å; R262-I265 PolarHBondContact O-N 2.79Å
263	R	95.7	Very high	97.5	Very high	155 Å²	155	40.2 Å²	40.2	59%	0.585	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-61.5	-20	178.5	58.1	170.7	175.3	-117.9	-1.7	113.9	H261	H261-R263 HydrophobicContact CB-CG 3.89Å; H261-R263 PolarHBondContact O-N 3.31Å; H261-R263 VanDerWaalsContact O-N 3.15Å
264	H	97.3	Very high	97.6	Very high	39 Å²	39	40 Å²	40	18%	0.181	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-93.5	-1.5	178.6	-52.9	151.3	0	0	0	112.6	T193 V194 H261 R262	T193-H264 PolarHBondContact OG1-O 2.83Å; V194-H264 HydrophobicContact CB-CB 4.21Å; H261-H264 AromaticContact CD2-CE1 3.74Å; H261-H264 AromaticContact CD2-ND1 3.98Å; H261-H264 WeakPolarHBondContact O-CB 3.44Å; H261-H264 PolarHBondContact O-N 3.48Å; R262-H264 PolarHBondContact O-N 2.87Å
265	I	98.3	Very high	97.7	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.036	18%	0.182	C	C	.	.			trans	-101.9	89.1	171.6	-58.6	-55.4	0	0	0	108.3	Y162 P164 S168 I260 R262 R269	Y162-I265 HydrophobicContact CD1-CD1 3.91Å; Y162-I265 HydrophobicContact CD1-CG1 4.1Å; Y162-I265 HydrophobicContact CG-CD1 4.15Å; P164-I265 HydrophobicContact CG-CG2 4.06Å; P164-I265 WeakPolarHBondContact CG-O 3.31Å; S168-I265 WeakPolarHBondContact O-CG1 3.35Å; I260-I265 HydrophobicContact CG2-CD1 3.71Å; I260-I265 HydrophobicContact CG2-CG1 4.01Å; R262-I265 PolarHBondContact O-N 2.79Å; I265-R269 HydrophobicContact CD1-CB 4.4Å
266	V	97.8	Very high	97.8	Very high	114 Å²	114	33.3 Å²	33.3	69%	0.691	16%	0.158	S	C	*	.			trans	-95.6	-20.4	-177	-61.6	0	0	0	0	113.5	P164	P164-V266 VanDerWaalsContact CG-C 3.46Å
267	A	98.4	Very high	97.9	Very high	44 Å²	44	32.6 Å²	32.6	36%	0.364	16%	0.156	S	C	.	.	S	Bend	trans	-142.6	175.7	174.7	0	0	0	0	0	109.7	R269	A267-R269 PolarHBondContact O-N 2.87Å
268	R	98.6	Very high	97.9	Very high	91 Å²	91	32.2 Å²	32.2	34%	0.343	15%	0.154	S	C	.	.			trans	-56.5	128.2	171.9	-174.9	-175.7	178.8	-158.9	-2.3	109	D97 D161 Y162 L190 S191	D97-R268 VanDerWaalsContact CG-NH2 3.31Å; D97-R268 IonicContact OD1-CZ 3.39Å; D97-R268 IonicContact OD1-NH1 3.56Å; D97-R268 IonicContact OD1-NH2 2.75Å; D97-R268 PolarHBondContact OD1-NH2 2.78Å; D97-R268 IonicContact OD2-CZ 3.45Å; D97-R268 IonicContact OD2-NH1 3.2Å; D97-R268 PolarHBondContact OD2-NH1 3.38Å; D97-R268 IonicContact OD2-NH2 3.57Å; D97-R268 PolarHBondContact OD2-NH2 3.45Å; D97-R268 VanDerWaalsContact OD2-NH2 3.12Å; D161-R268 IonicContact OD1-CZ 3.12Å; D161-R268 IonicContact OD1-NE 2.69Å; D161-R268 PolarHBondContact OD1-NE 2.77Å; D161-R268 IonicContact OD1-NH2 3.69Å; D161-R268 PolarHBondContact OD1-NH2 2.91Å; Y162-R268 WeakPolarHBondContact O-CA 3.33Å; L190-R268 WeakPolarHBondContact CB-O 3.38Å; L190-R268 HydrophobicContact CD1-CG 4.06Å; S191-R268 VanDerWaalsContact CB-O 3.29Å; S191-R268 WeakPolarHBondContact CB-O 3.37Å
269	R	98.7	Very high	97.8	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.019	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.4	178.6	173.5	-169.2	178.8	-93.5	-6.1	108.7	Y162 N188 I260 I265 A267	Y162-R269 WeakPolarHBondContact CB-O 3.2Å; Y162-R269 WeakPolarHBondContact CD2-O 3.22Å; Y162-R269 PolarHBondContact N-O 3.18Å; Y162-R269 PolarHBondContact O-N 3.1Å; Y162-R269 VanDerWaalsContact O-N 3.11Å; N188-R269 PolarHBondContact OD1-NE 3.22Å; N188-R269 PolarHBondContact OD1-NH2 2.82Å; I260-R269 VanDerWaalsContact CD1-NH1 3.26Å; I265-R269 HydrophobicContact CD1-CB 4.4Å; A267-R269 PolarHBondContact O-N 2.87Å
270	V	98.8	Very high	97.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.6	172	175	0	0	0	0	108.7	M96 W101 L160 D161 L189 L190	M96-V270 HydrophobicContact SD-CG1 3.58Å; M96-V270 VanDerWaalsContact SD-CG1 3.58Å; W101-V270 HydrophobicContact CH2-CG1 4.29Å; L160-V270 WeakPolarHBondContact O-CA 3.48Å; D161-V270 HydrophobicContact CB-CG2 4.42Å; L189-V270 WeakPolarHBondContact CA-O 3.42Å; L189-V270 HydrophobicContact CB-CB 4.22Å; L189-V270 HydrophobicContact CD1-CG1 4.35Å; L189-V270 PolarHBondContact N-O 3.39Å; L189-V270 PolarHBondContact O-N 2.75Å; L189-V270 VanDerWaalsContact O-N 3.12Å; L190-V270 HydrophobicContact CD1-CB 4.31Å; L190-V270 HydrophobicContact CD1-CG2 3.75Å
271	C	98.4	Very high	97.8	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.034	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.5	176.7	-175.9	0	0	0	0	109.1	N159 L160 Y162 L187	N159-C271 CarbonylContact C-O 3.56Å; N159-C271 VanDerWaalsContact CA-O 3.26Å; N159-C271 WeakPolarHBondContact CA-O 3.39Å; L160-C271 PolarHBondContact N-O 3.39Å; L160-C271 PolarHBondContact O-N 3.09Å; Y162-C271 HydrophobicContact CE2-CB 4.34Å; L187-C271 VanDerWaalsContact O-CA 3.32Å; L187-C271 WeakPolarHBondContact O-CA 3.35Å
272	A	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.8	170	0	0	0	0	0	108.8	M96 N159 S186 L187 F274	M96-A272 HydrophobicContact CE-CB 4.19Å; N159-A272 WeakPolarHBondContact OD1-CB 3.37Å; S186-A272 WeakPolarHBondContact CA-O 3.38Å; L187-A272 HydrophobicContact CB-CB 4.46Å; L187-A272 PolarHBondContact N-O 3.19Å; L187-A272 PolarHBondContact O-N 3.2Å; A272-F274 HydrophobicContact CB-CE2 3.9Å; A272-F274 HydrophobicContact CB-CZ 4.15Å; A272-F274 WeakPolarHBondContact O-CE2 3.34Å
273	T	98.8	Very high	98	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.9	179.4	-62.1	0	0	0	0	109.7	Q157 C158 L184 V185 S186	Q157-T273 CarbonylContact C-O 3.36Å; Q157-T273 VanDerWaalsContact CA-O 3.23Å; Q157-T273 WeakPolarHBondContact CA-O 3.44Å; C158-T273 PolarHBondContact N-O 2.98Å; C158-T273 PolarHBondContact O-N 2.97Å; L184-T273 HydrophobicContact CD1-CG2 3.5Å; L184-T273 HydrophobicContact CG-CG2 4.24Å; V185-T273 CarbonylContact O-C 3.51Å; V185-T273 WeakPolarHBondContact O-CA 3.38Å; S186-T273 PolarHBondContact OG-OG1 2.86Å
274	F	98.8	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.4	-177.9	-58.8	-93	0	0	0	110.3	V139 V140 M143 F152 P154 E156 Q157 V185 L187 A272	V139-F274 HydrophobicContact CG1-CE2 4.23Å; V139-F274 HydrophobicContact CG1-CZ 3.99Å; V140-F274 HydrophobicContact CG2-CD1 4.05Å; V140-F274 HydrophobicContact CG2-CE1 3.81Å; M143-F274 HydrophobicContact CE-CD2 3.48Å; M143-F274 VanDerWaalsContact CE-CD2 3.48Å; M143-F274 HydrophobicContact CE-CE2 3.52Å; M143-F274 HydrophobicContact CE-CG 4.03Å; M143-F274 HydrophobicContact CE-CZ 4.09Å; F152-F274 HydrophobicContact CE1-CB 4.01Å; F152-F274 HydrophobicContact CZ-CB 3.96Å; P154-F274 HydrophobicContact CB-CB 3.91Å; P154-F274 HydrophobicContact CB-CD1 4.22Å; P154-F274 HydrophobicContact CG-CD1 4.24Å; E156-F274 WeakPolarHBondContact O-CA 3.39Å; Q157-F274 HydrophobicContact CB-CD1 4.06Å; Q157-F274 HydrophobicContact CB-CE1 4.14Å; Q157-F274 HydrophobicContact CG-CD1 4.14Å; Q157-F274 HydrophobicContact CG-CE1 3.85Å; Q157-F274 HydrophobicContact CG-CZ 4.25Å; V185-F274 HydrophobicContact CB-CB 4.31Å; V185-F274 PolarHBondContact N-O 3.12Å; V185-F274 PolarHBondContact O-N 3.05Å; L187-F274 HydrophobicContact CB-CE2 4.33Å; A272-F274 HydrophobicContact CB-CE2 3.9Å; A272-F274 HydrophobicContact CB-CZ 4.15Å; A272-F274 WeakPolarHBondContact O-CE2 3.34Å
275	R	98.6	Very high	98	Very high	37 Å²	37	38.4 Å²	38.4	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.7	-177.8	-57.4	179.9	176	109.4	-3.7	111.1	P154 V155 E156 D175 W180 L184	P154-R275 CarbonylContact C-O 3.54Å; P154-R275 VanDerWaalsContact CA-O 3.31Å; P154-R275 WeakPolarHBondContact CA-O 3.47Å; V155-R275 WeakPolarHBondContact CG2-O 3.35Å; V155-R275 PolarHBondContact N-O 3.12Å; E156-R275 HydrophobicContact CB-CB 4.41Å; E156-R275 VanDerWaalsContact CD-NH1 3.31Å; E156-R275 PolarHBondContact N-O 2.99Å; E156-R275 PolarHBondContact O-N 3.41Å; E156-R275 IonicContact OE1-NH1 3.71Å; E156-R275 PolarHBondContact OE1-NH1 2.97Å; E156-R275 VanDerWaalsContact OE2-CD 3.22Å; E156-R275 WeakPolarHBondContact OE2-CD 3.25Å; E156-R275 WeakPolarHBondContact OE2-CG 3.45Å; E156-R275 IonicContact OE2-CZ 3.03Å; E156-R275 IonicContact OE2-NE 2.7Å; E156-R275 IonicContact OE2-NH1 3.74Å; E156-R275 PolarHBondContact OE2-NH1 2.98Å; D175-R275 IonicContact OD1-NH2 3.57Å; D175-R275 IonicContact OD2-CZ 3.58Å; D175-R275 IonicContact OD2-NE 2.88Å; D175-R275 PolarHBondContact OD2-NE 2.76Å; D175-R275 IonicContact OD2-NH2 2.68Å; D175-R275 PolarHBondContact OD2-NH2 3.22Å; W180-R275 HydrophobicContact CB-CB 4.46Å; W180-R275 HydrophobicContact CD2-CB 3.97Å; W180-R275 HydrophobicContact CD2-CG 4.43Å; W180-R275 HydrophobicContact CE3-CB 3.9Å; W180-R275 HydrophobicContact CG-CB 4.22Å; W180-R275 HydrophobicContact CG-CG 4.41Å; L184-R275 HydrophobicContact CD1-CG 3.8Å
276	E	97.9	Very high	97.9	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	166.8	169.7	66.9	-176.6	171.1	0	0	111.6	F152 Q153 W180 G181 E182 R183	F152-E276 HydrophobicContact CD2-CB 4.09Å; F152-E276 HydrophobicContact CD2-CG 4.24Å; F152-E276 WeakPolarHBondContact CD2-OE2 3.43Å; F152-E276 HydrophobicContact CE2-CB 3.79Å; F152-E276 HydrophobicContact CE2-CG 3.96Å; Q153-E276 WeakPolarHBondContact O-CB 3.26Å; W180-E276 CarbonylContact C-O 3.51Å; W180-E276 WeakPolarHBondContact CA-O 3.13Å; G181-E276 PolarHBondContact N-O 2.85Å; E182-E276 PolarHBondContact N-OE1 3.06Å; R183-E276 WeakPolarHBondContact CB-OE1 3.48Å; R183-E276 IonicContact CZ-OE1 2.74Å; R183-E276 IonicContact CZ-OE2 3.45Å; R183-E276 PolarHBondContact N-OE1 3.19Å; R183-E276 VanDerWaalsContact NE-CD 3.3Å; R183-E276 IonicContact NE-OE1 3.74Å; R183-E276 PolarHBondContact NE-OE1 3.05Å; R183-E276 IonicContact NE-OE2 2.73Å; R183-E276 PolarHBondContact NE-OE2 3.01Å; R183-E276 IonicContact NH2-OE1 3.78Å; R183-E276 IonicContact NH2-OE2 2.76Å; R183-E276 PolarHBondContact NH2-OE2 3.35Å
277	L	98.1	Very high	97.8	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.8	176.4	-74.2	171.3	0	0	0	112.2	V155 L179 G181 F281 L282 L294 L295	V155-L277 HydrophobicContact CB-CG 4.2Å; V155-L277 HydrophobicContact CG1-CD1 3.78Å; V155-L277 HydrophobicContact CG1-CD2 4.45Å; V155-L277 HydrophobicContact CG1-CG 3.7Å; V155-L277 HydrophobicContact CG2-CD2 3.68Å; V155-L277 HydrophobicContact CG2-CG 3.59Å; L179-L277 HydrophobicContact CD1-CD2 3.9Å; G181-L277 WeakPolarHBondContact CA-O 3.48Å; L277-F281 HydrophobicContact CB-CB 4.03Å; L277-F281 HydrophobicContact CD1-CB 3.84Å; L277-F281 HydrophobicContact CD2-CB 3.91Å; L277-F281 HydrophobicContact CD2-CD1 4.48Å; L277-F281 HydrophobicContact CD2-CD2 4.34Å; L277-F281 HydrophobicContact CD2-CG 4.02Å; L277-F281 HydrophobicContact CG-CB 4.14Å; L277-L282 HydrophobicContact CB-CD2 4.08Å; L277-L282 HydrophobicContact CB-CG 4.43Å; L277-L294 HydrophobicContact CD1-CB 4.44Å; L277-L294 HydrophobicContact CD2-CD1 4.24Å; L277-L295 HydrophobicContact CD1-CD1 4.17Å; L277-L295 HydrophobicContact CD1-CG 4Å
278	S	97.8	Very high	97.7	Very high	13 Å²	13	48.7 Å²	48.7	9%	0.091	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71.3	164.7	168	78.4	0	0	0	0	111.9	W178 L179 E280 F281 L282	W178-S278 WeakPolarHBondContact O-CB 3.4Å; W178-S278 PolarHBondContact O-OG 2.76Å; L179-S278 PolarHBondContact O-N 2.77Å; S278-E280 PolarHBondContact O-N 3.37Å; S278-E280 PolarHBondContact OG-N 3.32Å; S278-F281 PolarHBondContact O-N 2.7Å; S278-L282 PolarHBondContact O-N 2.86Å
279	N	97.2	Very high	97.6	Very high	137 Å²	137	51 Å²	51	73%	0.733	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.8	178	-67.3	-21.5	0	0	0	114.3	F281 G285	N279-F281 PolarHBondContact O-N 2.77Å; N279-G285 WeakPolarHBondContact O-CA 3.33Å
280	E	96.9	Very high	97.5	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.243	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.8	175.6	-176.7	174.6	148.3	0	0	112.4	W178 S278 G285 K286 R287	W178-E280 PolarHBondContact NE1-OE1 3.21Å; W178-E280 PolarHBondContact NE1-OE2 3.42Å; S278-E280 PolarHBondContact O-N 3.37Å; S278-E280 PolarHBondContact OG-N 3.32Å; E280-G285 CarbonylContact O-C 3.51Å; E280-G285 VanDerWaalsContact O-C 3.26Å; E280-G285 WeakPolarHBondContact O-CA 3.41Å; E280-K286 HydrophobicContact CG-CB 4.31Å; E280-K286 PolarHBondContact O-N 2.9Å; E280-K286 VanDerWaalsContact O-N 3.14Å; E280-R287 HydrophobicContact CG-CB 4.4Å; E280-R287 HydrophobicContact CG-CG 4.17Å; E280-R287 WeakPolarHBondContact O-CA 3.1Å; E280-R287 PolarHBondContact O-N 2.88Å; E280-R287 VanDerWaalsContact OE1-CD 3.26Å; E280-R287 WeakPolarHBondContact OE1-CD 3.15Å; E280-R287 IonicContact OE1-CZ 3.54Å; E280-R287 IonicContact OE1-NE 3.5Å; E280-R287 PolarHBondContact OE1-NE 3.26Å; E280-R287 IonicContact OE1-NH2 2.98Å
281	F	97.7	Very high	97.4	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-4.5	-175	-59.2	-97	0	0	0	113.4	L124 W178 L179 L277 S278 N279 R287 Q288 L290 G291	L124-F281 HydrophobicContact CD2-CD1 4.17Å; L124-F281 HydrophobicContact CD2-CE1 3.47Å; L124-F281 VanDerWaalsContact CD2-CE1 3.47Å; L124-F281 HydrophobicContact CD2-CZ 4.01Å; W178-F281 AromaticContact CE2-CZ 3.95Å; W178-F281 HydrophobicContact CH2-CZ 4.25Å; W178-F281 HydrophobicContact CZ2-CE2 4.31Å; W178-F281 AromaticContact CZ2-CZ 3.64Å; W178-F281 HydrophobicContact CZ2-CZ 3.64Å; L179-F281 HydrophobicContact CD1-CD1 4.49Å; L179-F281 HydrophobicContact CD1-CD2 3.99Å; L179-F281 HydrophobicContact CD1-CE1 4.01Å; L179-F281 HydrophobicContact CD1-CE2 3.48Å; L179-F281 VanDerWaalsContact CD1-CE2 3.48Å; L179-F281 HydrophobicContact CD1-CG 4.49Å; L179-F281 HydrophobicContact CD1-CZ 3.47Å; L179-F281 VanDerWaalsContact CD1-CZ 3.47Å; L277-F281 HydrophobicContact CB-CB 4.03Å; L277-F281 HydrophobicContact CD1-CB 3.84Å; L277-F281 HydrophobicContact CD2-CB 3.91Å; L277-F281 HydrophobicContact CD2-CD1 4.48Å; L277-F281 HydrophobicContact CD2-CD2 4.34Å; L277-F281 HydrophobicContact CD2-CG 4.02Å; L277-F281 HydrophobicContact CG-CB 4.14Å; S278-F281 PolarHBondContact O-N 2.7Å; N279-F281 PolarHBondContact O-N 2.77Å; F281-R287 HydrophobicContact CD1-CB 3.61Å; F281-R287 HydrophobicContact CE1-CB 3.8Å; F281-R287 VanDerWaalsContact CE1-CD 3.4Å; F281-R287 HydrophobicContact CE1-CG 4.27Å; F281-R287 HydrophobicContact CG-CB 4.23Å; F281-Q288 WeakPolarHBondContact O-CA 3.5Å; F281-L290 HydrophobicContact CE1-CD2 4.27Å; F281-G291 WeakPolarHBondContact O-CA 3.38Å
282	L	97.2	Very high	97.3	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.277	31%	0.312	S	S	.	.	S	Bend	trans	-87.1	171.6	176.5	-65.3	-178.6	0	0	0	111.2	L277 S278 G284 G285 Q288 L295	L277-L282 HydrophobicContact CB-CD2 4.08Å; L277-L282 HydrophobicContact CB-CG 4.43Å; S278-L282 PolarHBondContact O-N 2.86Å; L282-G284 PolarHBondContact O-N 3.45Å; L282-G285 WeakPolarHBondContact O-CA 3.37Å; L282-G285 PolarHBondContact O-N 3Å; L282-Q288 WeakPolarHBondContact O-CB 3.35Å; L282-L295 HydrophobicContact CD2-CD1 4.4Å
283	P	97.3	Very high	97.2	Very high	124 Å²	124	63.1 Å²	63.1	81%	0.805	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	130.7	179.1	-29.1	37.2	0	0	0	112.8	G285	P283-G285 VanDerWaalsContact C-N 3.27Å; P283-G285 PolarHBondContact O-N 2.91Å
284	G	96.7	Very high	97.1	Very high	77 Å²	77	62.5 Å²	62.5	79%	0.794	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-8.7	-173.7	0	0	0	0	0	114.8	L282	L282-G284 PolarHBondContact O-N 3.45Å
285	G	96.9	Very high	97	Very high	14 Å²	14	63.7 Å²	63.7	14%	0.144	33%	0.334	C	S	.	.	S	Bend	trans	-76.9	156.6	174.6	0	0	0	0	0	113.6	N279 E280 L282 P283 R287 Q288	N279-G285 WeakPolarHBondContact O-CA 3.33Å; E280-G285 CarbonylContact O-C 3.51Å; E280-G285 VanDerWaalsContact O-C 3.26Å; E280-G285 WeakPolarHBondContact O-CA 3.41Å; L282-G285 WeakPolarHBondContact O-CA 3.37Å; L282-G285 PolarHBondContact O-N 3Å; P283-G285 VanDerWaalsContact C-N 3.27Å; P283-G285 PolarHBondContact O-N 2.91Å; G285-R287 PolarHBondContact O-N 3.19Å; G285-R287 VanDerWaalsContact O-N 3.14Å; G285-Q288 WeakPolarHBondContact O-CB 3.46Å; G285-Q288 PolarHBondContact O-N 3.15Å
286	K	96.3	Very high	96.9	Very high	199 Å²	199	69.3 Å²	69.3	87%	0.865	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.6	-178.1	-65.1	179.5	-178.8	174.5	0	113.7	E280	E280-K286 HydrophobicContact CG-CB 4.31Å; E280-K286 PolarHBondContact O-N 2.9Å; E280-K286 VanDerWaalsContact O-N 3.14Å
287	R	95.9	Very high	96.8	Very high	82 Å²	82	69.4 Å²	69.4	31%	0.309	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	26	-178.3	-61.2	-170.7	-171.5	-139.1	9.6	112.5	Q122 E280 F281 G285 Q289 L290 G291	Q122-R287 PolarHBondContact O-NH1 3.3Å; Q122-R287 PolarHBondContact O-NH2 3.06Å; E280-R287 HydrophobicContact CG-CB 4.4Å; E280-R287 HydrophobicContact CG-CG 4.17Å; E280-R287 WeakPolarHBondContact O-CA 3.1Å; E280-R287 PolarHBondContact O-N 2.88Å; E280-R287 VanDerWaalsContact OE1-CD 3.26Å; E280-R287 WeakPolarHBondContact OE1-CD 3.15Å; E280-R287 IonicContact OE1-CZ 3.54Å; E280-R287 IonicContact OE1-NE 3.5Å; E280-R287 PolarHBondContact OE1-NE 3.26Å; E280-R287 IonicContact OE1-NH2 2.98Å; F281-R287 HydrophobicContact CD1-CB 3.61Å; F281-R287 HydrophobicContact CE1-CB 3.8Å; F281-R287 VanDerWaalsContact CE1-CD 3.4Å; F281-R287 HydrophobicContact CE1-CG 4.27Å; F281-R287 HydrophobicContact CG-CB 4.23Å; G285-R287 PolarHBondContact O-N 3.19Å; G285-R287 VanDerWaalsContact O-N 3.14Å; R287-Q289 PolarHBondContact O-N 2.93Å; R287-Q289 VanDerWaalsContact O-N 3.12Å; R287-L290 PolarHBondContact O-N 3.35Å; R287-L290 VanDerWaalsContact O-N 3.09Å; R287-G291 PolarHBondContact O-N 3.2Å
288	Q	97.1	Very high	96.8	Very high	99 Å²	99	69.2 Å²	69.2	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-51.3	-38.6	-176.4	67.5	176.8	-7.2	0	0	114	F281 L282 G285 L290 G291 Q292	F281-Q288 WeakPolarHBondContact O-CA 3.5Å; L282-Q288 WeakPolarHBondContact O-CB 3.35Å; G285-Q288 WeakPolarHBondContact O-CB 3.46Å; G285-Q288 PolarHBondContact O-N 3.15Å; Q288-L290 PolarHBondContact O-N 3.12Å; Q288-G291 PolarHBondContact O-N 3.22Å; Q288-Q292 PolarHBondContact O-N 3.13Å
289	Q	96.1	Very high	96.7	Very high	141 Å²	141	71.7 Å²	71.7	66%	0.659	38%	0.376	S	S	*	.	H	α-helix	trans	-63.9	-45	-178.4	-173.7	175	10.6	0	0	111.5	R287 G291 Q292 E293	R287-Q289 PolarHBondContact O-N 2.93Å; R287-Q289 VanDerWaalsContact O-N 3.12Å; Q289-G291 VanDerWaalsContact C-N 3.32Å; Q289-G291 PolarHBondContact O-N 3.37Å; Q289-Q292 PolarHBondContact O-N 3.18Å; Q289-E293 WeakPolarHBondContact O-CG 3.42Å; Q289-E293 PolarHBondContact O-N 3.25Å; Q289-E293 VanDerWaalsContact O-N 3.12Å
290	L	95.6	Very high	96.7	Very high	40 Å²	40	67.3 Å²	67.3	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-36.3	175.7	-179	60	0	0	0	111.4	L124 F281 R287 Q288 E293 L294	L124-L290 HydrophobicContact CB-CD2 4.08Å; L124-L290 HydrophobicContact CD2-CD2 3.86Å; L124-L290 HydrophobicContact CD2-CG 4.32Å; L124-L290 HydrophobicContact CG-CD2 4.23Å; F281-L290 HydrophobicContact CE1-CD2 4.27Å; R287-L290 PolarHBondContact O-N 3.35Å; R287-L290 VanDerWaalsContact O-N 3.09Å; Q288-L290 PolarHBondContact O-N 3.12Å; L290-E293 PolarHBondContact O-N 2.78Å; L290-L294 HydrophobicContact CG-CD1 4.14Å; L290-L294 WeakPolarHBondContact O-CD1 3.39Å; L290-L294 VanDerWaalsContact O-CG 3.26Å; L290-L294 WeakPolarHBondContact O-CG 3.43Å; L290-L294 PolarHBondContact O-N 3Å
291	G	97	Very high	96.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-40.9	174.9	0	0	0	0	0	113.1	F281 R287 Q288 Q289 L294 L295	F281-G291 WeakPolarHBondContact O-CA 3.38Å; R287-G291 PolarHBondContact O-N 3.2Å; Q288-G291 PolarHBondContact O-N 3.22Å; Q289-G291 VanDerWaalsContact C-N 3.32Å; Q289-G291 PolarHBondContact O-N 3.37Å; G291-L294 WeakPolarHBondContact O-CB 3.45Å; G291-L294 PolarHBondContact O-N 2.96Å; G291-L295 WeakPolarHBondContact O-CG 3.36Å; G291-L295 PolarHBondContact O-N 3.33Å
292	Q	96.9	Very high	96.6	Very high	136 Å²	136	72.5 Å²	72.5	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-62.2	-44.7	175.1	-173.6	177.7	5.3	0	0	111.8	Q288 Q289 L294 L295 Q296	Q288-Q292 PolarHBondContact O-N 3.13Å; Q289-Q292 PolarHBondContact O-N 3.18Å; Q292-L294 VanDerWaalsContact C-N 3.3Å; Q292-L294 PolarHBondContact O-N 3.3Å; Q292-L295 PolarHBondContact O-N 3.28Å; Q292-Q296 WeakPolarHBondContact O-CB 3.49Å; Q292-Q296 PolarHBondContact O-N 3.45Å
293	E	96.4	Very high	96.5	Very high	89 Å²	89	70.6 Å²	70.6	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-41.3	174.7	-71.2	172.5	-161.2	0	0	112	Q289 L290 A297	Q289-E293 WeakPolarHBondContact O-CG 3.42Å; Q289-E293 PolarHBondContact O-N 3.25Å; Q289-E293 VanDerWaalsContact O-N 3.12Å; L290-E293 PolarHBondContact O-N 2.78Å; E293-A297 WeakPolarHBondContact O-CB 3.37Å; E293-A297 PolarHBondContact O-N 2.88Å
294	L	96.8	Very high	96.2	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-46.1	177.9	-75.6	163.6	0	0	0	112.4	P115 L124 M126 F129 V155 L277 L290 G291 Q292 A297 A298	P115-L294 HydrophobicContact CB-CD2 3.62Å; P115-L294 HydrophobicContact CG-CD2 3.75Å; L124-L294 HydrophobicContact CD2-CD1 3.45Å; L124-L294 VanDerWaalsContact CD2-CD1 3.45Å; L124-L294 HydrophobicContact CG-CD1 4.36Å; M126-L294 HydrophobicContact CE-CD2 4.3Å; M126-L294 HydrophobicContact SD-CD2 3.29Å; M126-L294 WeakPolarHBondContact SD-CD2 3.29Å; M126-L294 HydrophobicContact SD-CG 3.79Å; F129-L294 HydrophobicContact CD1-CD2 4.12Å; F129-L294 HydrophobicContact CE1-CD2 4.37Å; V155-L294 HydrophobicContact CG1-CB 4.27Å; L277-L294 HydrophobicContact CD1-CB 4.44Å; L277-L294 HydrophobicContact CD2-CD1 4.24Å; L290-L294 HydrophobicContact CG-CD1 4.14Å; L290-L294 WeakPolarHBondContact O-CD1 3.39Å; L290-L294 VanDerWaalsContact O-CG 3.26Å; L290-L294 WeakPolarHBondContact O-CG 3.43Å; L290-L294 PolarHBondContact O-N 3Å; G291-L294 WeakPolarHBondContact O-CB 3.45Å; G291-L294 PolarHBondContact O-N 2.96Å; Q292-L294 VanDerWaalsContact C-N 3.3Å; Q292-L294 PolarHBondContact O-N 3.3Å; L294-A297 PolarHBondContact O-N 2.77Å; L294-A298 WeakPolarHBondContact O-CB 3.24Å; L294-A298 PolarHBondContact O-N 2.99Å
295	L	97.1	Very high	96	Very high	25 Å²	25	71.5 Å²	71.5	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-44.6	177.5	-75.8	163.8	0	0	0	111	Q153 V155 L277 L282 G291 Q292 A297 A298 L299	Q153-L295 HydrophobicContact CB-CD2 3.65Å; V155-L295 HydrophobicContact CG1-CB 4.5Å; V155-L295 HydrophobicContact CG1-CD2 3.41Å; V155-L295 VanDerWaalsContact CG1-CD2 3.41Å; V155-L295 HydrophobicContact CG1-CG 3.73Å; L277-L295 HydrophobicContact CD1-CD1 4.17Å; L277-L295 HydrophobicContact CD1-CG 4Å; L282-L295 HydrophobicContact CD2-CD1 4.4Å; G291-L295 WeakPolarHBondContact O-CG 3.36Å; G291-L295 PolarHBondContact O-N 3.33Å; Q292-L295 PolarHBondContact O-N 3.28Å; L295-A297 VanDerWaalsContact C-N 3.34Å; L295-A297 PolarHBondContact O-N 2.87Å; L295-A298 PolarHBondContact O-N 2.88Å; L295-L299 WeakPolarHBondContact O-CB 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 3.38Å
296	Q	96.5	Very high	95.4	Very high	154 Å²	154	75 Å²	75	72%	0.72	36%	0.358	S	S	*	.	H	α-helix	trans	-61	-43.1	177.2	-174.5	178.5	1.3	0	0	111.9	Q292	Q292-Q296 WeakPolarHBondContact O-CB 3.49Å; Q292-Q296 PolarHBondContact O-N 3.45Å
297	A	96.4	Very high	95.4	Very high	17 Å²	17	68.8 Å²	68.8	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-49.9	176	0	0	0	0	0	111.4	M126 F129 G131 E293 L294 L295 L299 S300	M126-A297 HydrophobicContact CE-CB 3.57Å; F129-A297 HydrophobicContact CD1-CB 4.01Å; F129-A297 HydrophobicContact CE1-CB 4.07Å; G131-A297 WeakPolarHBondContact CA-O 3.49Å; E293-A297 WeakPolarHBondContact O-CB 3.37Å; E293-A297 PolarHBondContact O-N 2.88Å; L294-A297 PolarHBondContact O-N 2.77Å; L295-A297 VanDerWaalsContact C-N 3.34Å; L295-A297 PolarHBondContact O-N 2.87Å; A297-L299 PolarHBondContact O-N 2.89Å; A297-S300 VanDerWaalsContact O-CB 3.25Å; A297-S300 WeakPolarHBondContact O-CB 3.39Å; A297-S300 PolarHBondContact O-N 3.03Å; A297-S300 VanDerWaalsContact O-N 3.14Å; A297-S300 PolarHBondContact O-OG 3.1Å
298	A	97.3	Very high	95.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54.6	-49.2	-177.1	0	0	0	0	0	112.3	F129 L132 P154 V155 L294 L295 S300 F301	F129-A298 HydrophobicContact CE1-CB 3.91Å; F129-A298 HydrophobicContact CZ-CB 3.75Å; L132-A298 HydrophobicContact CG-CB 4.17Å; L132-A298 WeakPolarHBondContact CG-O 3.32Å; L132-A298 PolarHBondContact N-O 2.73Å; P154-A298 WeakPolarHBondContact O-CB 3.44Å; V155-A298 HydrophobicContact CB-CB 4.36Å; V155-A298 HydrophobicContact CG1-CB 4.35Å; L294-A298 WeakPolarHBondContact O-CB 3.24Å; L294-A298 PolarHBondContact O-N 2.99Å; L295-A298 PolarHBondContact O-N 2.88Å; A298-S300 PolarHBondContact O-N 2.81Å; A298-F301 PolarHBondContact O-N 2.86Å
299	L	96	Very high	95.3	Very high	66 Å²	66	66.3 Å²	66.3	35%	0.346	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	6.1	-175.6	-58.9	177.6	0	0	0	113.6	Q153 L295 A297 F301	Q153-L299 HydrophobicContact CG-CD1 4.42Å; L295-L299 WeakPolarHBondContact O-CB 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 3.38Å; A297-L299 PolarHBondContact O-N 2.89Å; L299-F301 VanDerWaalsContact C-N 3.29Å; L299-F301 HydrophobicContact CB-CE2 4.4Å; L299-F301 HydrophobicContact CD2-CE2 4.23Å; L299-F301 HydrophobicContact CD2-CZ 4.13Å; L299-F301 WeakPolarHBondContact O-CD2 3.25Å; L299-F301 WeakPolarHBondContact O-CE2 2.99Å
300	S	96.9	Very high	95.2	Very high	44 Å²	44	61.9 Å²	61.9	31%	0.308	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.9	167.7	84.3	0	0	0	0	112.4	Q130 A297 A298 Q302	Q130-S300 PolarHBondContact O-OG 2.9Å; A297-S300 VanDerWaalsContact O-CB 3.25Å; A297-S300 WeakPolarHBondContact O-CB 3.39Å; A297-S300 PolarHBondContact O-N 3.03Å; A297-S300 VanDerWaalsContact O-N 3.14Å; A297-S300 PolarHBondContact O-OG 3.1Å; A298-S300 PolarHBondContact O-N 2.81Å; S300-Q302 WeakPolarHBondContact O-CG 3.26Å; S300-Q302 PolarHBondContact O-N 3.2Å; S300-Q302 PolarHBondContact OG-N 3.22Å
301	F	97.4	Very high	95.2	Very high	16 Å²	16	63.3 Å²	63.3	7%	0.07	31%	0.313	C	S	.	.			trans	56.5	27.3	-173.9	-62	-84.3	0	0	0	115.4	L132 S134 Q137 V140 A298 L299	L132-F301 HydrophobicContact CB-CD1 3.84Å; L132-F301 HydrophobicContact CB-CE1 4Å; L132-F301 HydrophobicContact CD1-CE1 4.12Å; L132-F301 CarbonylContact O-C 3.56Å; L132-F301 WeakPolarHBondContact O-CA 3.38Å; S134-F301 WeakPolarHBondContact CA-O 3.45Å; S134-F301 PolarHBondContact N-O 3.33Å; Q137-F301 VanDerWaalsContact CA-CE1 3.46Å; Q137-F301 HydrophobicContact CB-CB 4.2Å; Q137-F301 HydrophobicContact CB-CD1 3.74Å; Q137-F301 HydrophobicContact CB-CD2 4.03Å; Q137-F301 HydrophobicContact CB-CE1 4.09Å; Q137-F301 HydrophobicContact CB-CE2 4.35Å; Q137-F301 HydrophobicContact CB-CG 3.71Å; Q137-F301 HydrophobicContact CB-CZ 4.37Å; Q137-F301 HydrophobicContact CG-CD1 4.32Å; Q137-F301 HydrophobicContact CG-CD2 3.69Å; Q137-F301 HydrophobicContact CG-CE1 4.5Å; Q137-F301 HydrophobicContact CG-CE2 3.9Å; Q137-F301 HydrophobicContact CG-CG 3.91Å; Q137-F301 HydrophobicContact CG-CZ 4.3Å; V140-F301 HydrophobicContact CB-CE1 4.2Å; V140-F301 HydrophobicContact CB-CZ 4Å; V140-F301 HydrophobicContact CG1-CZ 4.08Å; V140-F301 HydrophobicContact CG2-CE1 4.1Å; V140-F301 HydrophobicContact CG2-CZ 4.34Å; A298-F301 PolarHBondContact O-N 2.86Å; L299-F301 VanDerWaalsContact C-N 3.29Å; L299-F301 HydrophobicContact CB-CE2 4.4Å; L299-F301 HydrophobicContact CD2-CE2 4.23Å; L299-F301 HydrophobicContact CD2-CZ 4.13Å; L299-F301 WeakPolarHBondContact O-CD2 3.25Å; L299-F301 WeakPolarHBondContact O-CE2 2.99Å
302	Q	95.3	Very high	95.1	Very high	147 Å²	147	67.5 Å²	67.5	69%	0.687	33%	0.334	S	S	*	.			trans	-101.3	17.6	179.6	-60	-178	1	0	0	113.4	L132 S300	L132-Q302 PolarHBondContact O-N 2.68Å; S300-Q302 WeakPolarHBondContact O-CG 3.26Å; S300-Q302 PolarHBondContact O-N 3.2Å; S300-Q302 PolarHBondContact OG-N 3.22Å
303	G	93.8	Very high	94.9	Very high	12 Å²	12	62.6 Å²	62.6	12%	0.124	31%	0.313	C	S	.	.			trans	-69.7	147.4	-174	0	0	0	0	0	115.2	G131 L132	G131-G303 WeakPolarHBondContact O-CA 3.46Å; L132-G303 WeakPolarHBondContact O-CA 3.37Å; L132-G303 PolarHBondContact O-N 2.83Å
304	R	92.7	Very high	94.8	Very high	191 Å²	191	60.6 Å²	60.6	72%	0.721	31%	0.305	S	S	*	.			trans	-120.5	154.3	161.8	-69.7	-167.8	-178	-161	-0.1	109.4	Y113 V306	Y113-R304 VanDerWaalsContact CE1-C 3.42Å; R304-V306 PolarHBondContact O-N 3.47Å
305	P	91.9	Very high	94.7	Very high	29 Å²	29	65.7 Å²	65.7	19%	0.188	33%	0.33	C	S	.	.			trans	-67.2	132.9	-177.3	24.7	-29.9	0	0	0	111.1	D99 Q111 D112 Y113	D99-P305 HydrophobicContact CB-CG 3.79Å; D99-P305 VanDerWaalsContact OD2-CD 3.26Å; D99-P305 WeakPolarHBondContact OD2-CD 3.48Å; Q111-P305 HydrophobicContact CB-CB 3.88Å; Q111-P305 HydrophobicContact CG-CB 4.1Å; Q111-P305 HydrophobicContact CG-CG 4.49Å; D112-P305 WeakPolarHBondContact O-CA 3.47Å; Y113-P305 HydrophobicContact CE1-CB 4.01Å; Y113-P305 HydrophobicContact CE1-CG 4.29Å; Y113-P305 VanDerWaalsContact CE1-N 3.25Å; Y113-P305 HydrophobicContact CE2-CB 4.1Å
306	V	84.6	Confident	94.4	Very high	87 Å²	87	69.4 Å²	69.4	53%	0.527	35%	0.348	S	S	.	.			trans	-96.7	0	-175.3	-65.7	0	0	0	0	114.4	K102 D112 R304	K102-V306 PolarHBondContact NZ-O 3.13Å; K102-V306 PolarHBondContact NZ-OXT 2.92Å; D112-V306 HydrophobicContact CB-CG2 4.34Å; D112-V306 VanDerWaalsContact O-CG2 3.27Å; D112-V306 WeakPolarHBondContact O-CG2 3.31Å; D112-V306 PolarHBondContact O-N 3.48Å; R304-V306 PolarHBondContact O-N 3.47Å

Retrieved 306 of 306 residues in 89.1 ms (Link to these results)

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