A0A087X8N2_POEFO Loading...

Cysteine rich secretory protein LCCL domain containing 2

AlphaFold DB , UniProt , Accession A0A087X8N2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 515 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	34.9	Very low	41.5	Very low	230 Å²	230	144.8 Å²	144.8	100%	1.133	84%	0.836	S	S	*	*				0	96.5	0	-65	165	-175	0	0	105.6
2	T	37.7	Very low	41.4	Very low	117 Å²	117	147.7 Å²	147.7	72%	0.718	84%	0.844	S	S	*	*				62.6	112.1	96	54.5	0	0	0	0	111.1
3	H	34.9	Very low	41.4	Very low	171 Å²	171	143.8 Å²	143.8	79%	0.792	83%	0.831	S	S	*	*			cis	-135.1	146.5	26.5	-81.5	-92.1	0	0	0	113.3
4	S	36.8	Very low	41.8	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	83%	0.831	S	S	*	*				57.9	95.4	100.2	-144.5	0	0	0	0	114
5	A	46.2	Very low	42.2	Very low	92 Å²	92	145.9 Å²	145.9	76%	0.76	83%	0.832	S	S	*	*				76.4	72.9	71.5	0	0	0	0	0	115
6	S	44.7	Very low	42.3	Very low	122 Å²	122	147.9 Å²	147.9	85%	0.853	84%	0.835	S	S	*	*			trans	-157	77.7	162.2	-87.5	0	0	0	0	111.3
7	S	43	Very low	41.9	Very low	121 Å²	121	153.3 Å²	153.3	85%	0.846	84%	0.839	S	S	*	*	S	Bend	trans	-162.7	5.2	168	-98.4	0	0	0	0	115.3
8	C	42.5	Very low	42.1	Very low	129 Å²	129	151.9 Å²	151.9	87%	0.872	84%	0.84	S	S	*	*	S	Bend	trans	-119.2	43.9	-173.7	-150.8	0	0	0	0	113.2
9	L	43.2	Very low	42.5	Very low	165 Å²	165	150.4 Å²	150.4	86%	0.864	84%	0.836	S	S	*	*	S	Bend	trans	-136	21.5	177.4	-78.1	176.3	0	0	0	113.3
10	L	47.5	Very low	42.8	Very low	136 Å²	136	149.3 Å²	149.3	71%	0.712	83%	0.833	S	S	*	*	S	Bend	trans	-111.7	1.8	-173.8	-81.2	167.7	0	0	0	115.7
11	F	44.7	Very low	42.3	Very low	202 Å²	202	148.7 Å²	148.7	89%	0.886	83%	0.828	S	S	*	*	S	Bend	trans	-128	11.3	-176.8	-85	-77.4	0	0	0	115.8
12	L	41.1	Very low	42.6	Very low	179 Å²	179	143.3 Å²	143.3	94%	0.937	81%	0.813	S	S	*	*	S	Bend	trans	-124.6	9.1	173.6	-121.5	86.3	0	0	0	114.6
13	S	41.1	Very low	42.5	Very low	97 Å²	97	141.9 Å²	141.9	68%	0.678	81%	0.808	S	S	*	*	S	Bend	trans	-92.7	-7	177.7	47.2	0	0	0	0	114
14	L	47	Very low	42.5	Very low	159 Å²	159	138 Å²	138	83%	0.832	80%	0.8	S	S	*	*	S	Bend	trans	-121.1	67.2	-168	-165.4	80.6	0	0	0	112.5
15	L	47.3	Very low	42.5	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	81%	0.806	S	S	*	*	S	Bend	trans	-170	-25.6	155.8	-111.9	161	0	0	0	116
16	M	44.9	Very low	42.3	Very low	178 Å²	178	145.6 Å²	145.6	88%	0.877	81%	0.81	S	S	*	*	S	Bend	trans	-134.7	73.9	-172.8	-85.3	-68.3	-76	0	0	114.9
17	R	35.4	Very low	42.2	Very low	239 Å²	239	146.8 Å²	146.8	90%	0.902	81%	0.806	S	S	*	*			trans	-145.5	40.6	151.4	-79.9	-149.8	174.9	-164.5	-1.6	113	V19	R17-V19 PolarHBondContact O-N 3.03Å; R17-V19 VanDerWaalsContact O-N 3.15Å
18	C	45.7	Very low	42.1	Very low	128 Å²	128	146.5 Å²	146.5	87%	0.865	80%	0.801	S	S	*	*			trans	-85.1	49.7	172.2	-65.1	0	0	0	0	113.2
19	V	49.3	Very low	42.3	Very low	124 Å²	124	145 Å²	145	75%	0.752	79%	0.785	S	S	*	*	S	Bend	trans	-150.3	144.1	161.7	-178.9	0	0	0	0	107.2	R17	R17-V19 PolarHBondContact O-N 3.03Å; R17-V19 VanDerWaalsContact O-N 3.15Å
20	T	48.3	Very low	43.1	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	76%	0.761	S	S	*	*			trans	86.8	65.4	-175.7	79.6	0	0	0	0	116.9
21	D	33	Very low	43.4	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	76%	0.763	S	S	*	*			trans	-148	64.1	145.2	-138.6	-30.6	0	0	0	111.9	S23	D21-S23 PolarHBondContact O-N 3.26Å; D21-S23 VanDerWaalsContact OD1-CB 3.22Å; D21-S23 WeakPolarHBondContact OD1-CB 3.32Å; D21-S23 PolarHBondContact OD1-OG 3.4Å
22	S	40.3	Very low	43.7	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	74%	0.743	S	S	*	*			trans	-76.9	50.1	165.9	61.5	0	0	0	0	110.5	S24	S22-S24 PolarHBondContact O-N 2.91Å
23	S	36.1	Very low	44.1	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	72%	0.721	S	S	*	*			trans	-72.9	83.3	170.4	-76.8	0	0	0	0	108.6	D21 L25	D21-S23 PolarHBondContact O-N 3.26Å; D21-S23 VanDerWaalsContact OD1-CB 3.22Å; D21-S23 WeakPolarHBondContact OD1-CB 3.32Å; D21-S23 PolarHBondContact OD1-OG 3.4Å; S23-L25 PolarHBondContact O-N 2.9Å
24	S	34.9	Very low	44.8	Very low	91 Å²	91	135.2 Å²	135.2	64%	0.636	72%	0.717	S	S	*	*			trans	-49.1	114	170.4	-60.3	0	0	0	0	109.1	S22 F26	S22-S24 PolarHBondContact O-N 2.91Å; S24-F26 WeakPolarHBondContact O-CD2 3.42Å; S24-F26 PolarHBondContact O-N 2.78Å
25	L	35.7	Very low	45.1	Very low	166 Å²	166	134 Å²	134	87%	0.869	70%	0.701	S	S	*	*			trans	-68.5	85.5	173.3	-77.8	170.7	0	0	0	108.6	S23 L27	S23-L25 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.24Å
26	F	41.8	Very low	45.2	Very low	192 Å²	192	129.9 Å²	129.9	84%	0.842	68%	0.679	S	S	*	*			trans	-57.1	99.6	167.8	-80.6	-86.5	0	0	0	107.9	S24	S24-F26 WeakPolarHBondContact O-CD2 3.42Å; S24-F26 PolarHBondContact O-N 2.78Å
27	L	42.9	Very low	45.5	Very low	148 Å²	148	125.6 Å²	125.6	78%	0.775	66%	0.66	S	S	*	*			trans	-52.5	131.4	172	-72	168.4	0	0	0	108	L25 D29	L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.24Å; L27-D29 PolarHBondContact O-N 2.89Å
28	P	40.9	Very low	46.2	Very low	114 Å²	114	115.3 Å²	115.3	74%	0.74	62%	0.624	S	S	*	*			trans	-58.5	129.5	-175.4	23.5	-33.5	0	0	0	109.5	S30	P28-S30 PolarHBondContact O-N 3.15Å
29	D	47.6	Very low	46.4	Very low	99 Å²	99	116 Å²	116	53%	0.529	61%	0.609	S	S	.	*			trans	-70.4	75.9	-167.6	-166.3	-4.5	0	0	0	112	L27 K31 R34	L27-D29 PolarHBondContact O-N 2.89Å; D29-K31 PolarHBondContact O-N 3.24Å; D29-R34 VanDerWaalsContact CG-CZ 3.41Å; D29-R34 VanDerWaalsContact CG-NH2 3.3Å; D29-R34 IonicContact OD1-CZ 2.91Å; D29-R34 IonicContact OD1-NE 3.21Å; D29-R34 PolarHBondContact OD1-NE 3.46Å; D29-R34 IonicContact OD1-NH1 3.83Å; D29-R34 PolarHBondContact OD1-NH1 3.48Å; D29-R34 IonicContact OD1-NH2 3.12Å; D29-R34 PolarHBondContact OD1-NH2 3.48Å; D29-R34 VanDerWaalsContact OD1-NH2 3.12Å; D29-R34 IonicContact OD2-CZ 3.12Å; D29-R34 IonicContact OD2-NH1 2.74Å; D29-R34 PolarHBondContact OD2-NH1 2.81Å; D29-R34 IonicContact OD2-NH2 2.87Å; D29-R34 PolarHBondContact OD2-NH2 2.89Å
30	S	59.9	Low	46.3	Very low	52 Å²	52	116.1 Å²	116.1	36%	0.364	60%	0.597	S	S	.	*			trans	-72.1	110	-174.5	174.8	0	0	0	0	109.6	P28 E32 L33 R34	P28-S30 PolarHBondContact O-N 3.15Å; S30-E32 PolarHBondContact O-N 2.84Å; S30-E32 VanDerWaalsContact O-N 3.17Å; S30-E32 PolarHBondContact OG-N 3.36Å; S30-L33 WeakPolarHBondContact O-CA 3.27Å; S30-L33 WeakPolarHBondContact O-CB 2.89Å; S30-L33 PolarHBondContact O-N 3.15Å; S30-L33 PolarHBondContact OG-N 3.04Å; S30-L33 VanDerWaalsContact OG-N 3.15Å; S30-R34 PolarHBondContact O-N 2.75Å
31	K	52.5	Low	46.3	Very low	176 Å²	176	116.2 Å²	116.2	77%	0.765	59%	0.588	S	S	*	*	H	α-helix	trans	-55.9	-29.2	170.9	-64.4	-176.7	179.8	179.9	0	111.9	D29 R35	D29-K31 PolarHBondContact O-N 3.24Å; K31-R35 VanDerWaalsContact O-CB 3.3Å; K31-R35 WeakPolarHBondContact O-CB 3.26Å; K31-R35 PolarHBondContact O-N 3.01Å
32	E	51.9	Low	46.8	Very low	100 Å²	100	115.6 Å²	115.6	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-70.6	-40.9	174.4	-132.3	60.9	-156.1	0	0	111.8	S30 R35 L36	S30-E32 PolarHBondContact O-N 2.84Å; S30-E32 VanDerWaalsContact O-N 3.17Å; S30-E32 PolarHBondContact OG-N 3.36Å; E32-R35 CarbonylContact O-C 3.48Å; E32-R35 PolarHBondContact O-N 2.91Å; E32-R35 IonicContact OE1-CZ 2.95Å; E32-R35 IonicContact OE1-NH1 2.8Å; E32-R35 PolarHBondContact OE1-NH1 3.33Å; E32-R35 IonicContact OE1-NH2 3.67Å; E32-R35 PolarHBondContact OE1-NH2 2.76Å; E32-R35 IonicContact OE2-NH1 3.91Å; E32-R35 PolarHBondContact OE2-NH1 2.74Å; E32-L36 WeakPolarHBondContact O-CB 3.34Å; E32-L36 WeakPolarHBondContact O-CG 3.48Å; E32-L36 PolarHBondContact O-N 2.94Å
33	L	49.7	Very low	47.1	Very low	89 Å²	89	117.2 Å²	117.2	47%	0.466	58%	0.576	S	S	.	*	H	α-helix	trans	-66.3	-44.3	173.8	-178.8	60.5	0	0	0	111	S30 R35 L36 L37	S30-L33 WeakPolarHBondContact O-CA 3.27Å; S30-L33 WeakPolarHBondContact O-CB 2.89Å; S30-L33 PolarHBondContact O-N 3.15Å; S30-L33 PolarHBondContact OG-N 3.04Å; S30-L33 VanDerWaalsContact OG-N 3.15Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.9Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.29Å; L33-L37 HydrophobicContact CD1-CD1 4.21Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 4.01Å; L33-L37 HydrophobicContact CG-CG 4.38Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.2Å
34	R	55.7	Low	47.5	Very low	156 Å²	156	115.9 Å²	115.9	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-61.7	-37.9	171.8	-79.4	-164.1	-179.2	129.6	12.3	112.3	D29 S30 L36 S38	D29-R34 VanDerWaalsContact CG-CZ 3.41Å; D29-R34 VanDerWaalsContact CG-NH2 3.3Å; D29-R34 IonicContact OD1-CZ 2.91Å; D29-R34 IonicContact OD1-NE 3.21Å; D29-R34 PolarHBondContact OD1-NE 3.46Å; D29-R34 IonicContact OD1-NH1 3.83Å; D29-R34 PolarHBondContact OD1-NH1 3.48Å; D29-R34 IonicContact OD1-NH2 3.12Å; D29-R34 PolarHBondContact OD1-NH2 3.48Å; D29-R34 VanDerWaalsContact OD1-NH2 3.12Å; D29-R34 IonicContact OD2-CZ 3.12Å; D29-R34 IonicContact OD2-NH1 2.74Å; D29-R34 PolarHBondContact OD2-NH1 2.81Å; D29-R34 IonicContact OD2-NH2 2.87Å; D29-R34 PolarHBondContact OD2-NH2 2.89Å; S30-R34 PolarHBondContact O-N 2.75Å; R34-L36 PolarHBondContact O-N 3.49Å; R34-S38 WeakPolarHBondContact O-CB 3.26Å; R34-S38 PolarHBondContact O-N 2.96Å; R34-S38 PolarHBondContact O-OG 2.78Å
35	R	52.8	Low	47.6	Very low	132 Å²	132	118.5 Å²	118.5	50%	0.498	58%	0.577	S	S	.	*	H	α-helix	trans	-76.4	2.2	173.7	-149.5	-177.6	82.8	-115.2	-3.8	114.1	K31 E32 L33 R39	K31-R35 VanDerWaalsContact O-CB 3.3Å; K31-R35 WeakPolarHBondContact O-CB 3.26Å; K31-R35 PolarHBondContact O-N 3.01Å; E32-R35 CarbonylContact O-C 3.48Å; E32-R35 PolarHBondContact O-N 2.91Å; E32-R35 IonicContact OE1-CZ 2.95Å; E32-R35 IonicContact OE1-NH1 2.8Å; E32-R35 PolarHBondContact OE1-NH1 3.33Å; E32-R35 IonicContact OE1-NH2 3.67Å; E32-R35 PolarHBondContact OE1-NH2 2.76Å; E32-R35 IonicContact OE2-NH1 3.91Å; E32-R35 PolarHBondContact OE2-NH1 2.74Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.9Å; R35-R39 PolarHBondContact O-NE 2.96Å; R35-R39 PolarHBondContact O-NH2 3.09Å
36	L	50.9	Low	47.9	Very low	75 Å²	75	119.6 Å²	119.6	39%	0.393	58%	0.577	S	S	.	*	H	α-helix	trans	-105.5	-49.7	170.2	-84.4	160.4	0	0	0	110.3	E32 L33 R34 S38 R39 Y40	E32-L36 WeakPolarHBondContact O-CB 3.34Å; E32-L36 WeakPolarHBondContact O-CG 3.48Å; E32-L36 PolarHBondContact O-N 2.94Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.29Å; R34-L36 PolarHBondContact O-N 3.49Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.02Å; L36-R39 WeakPolarHBondContact O-CB 3.29Å; L36-R39 PolarHBondContact O-N 3.44Å; L36-Y40 VanDerWaalsContact O-CD2 3.25Å; L36-Y40 WeakPolarHBondContact O-CD2 3.32Å; L36-Y40 PolarHBondContact O-N 3.49Å
37	L	50.8	Low	47.9	Very low	89 Å²	89	115.5 Å²	115.5	47%	0.466	57%	0.572	S	S	.	*	H	α-helix	trans	-58.6	-41.6	171.5	-66.2	174	0	0	0	111.2	L33 R39 Y40 E41	L33-L37 HydrophobicContact CD1-CD1 4.21Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 4.01Å; L33-L37 HydrophobicContact CG-CG 4.38Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.2Å; L37-R39 PolarHBondContact O-N 3.07Å; L37-R39 VanDerWaalsContact O-N 3.11Å; L37-Y40 CarbonylContact O-C 3.59Å; L37-Y40 WeakPolarHBondContact O-CA 3.45Å; L37-Y40 WeakPolarHBondContact O-CB 3.09Å; L37-Y40 PolarHBondContact O-N 2.8Å; L37-E41 PolarHBondContact O-N 3.46Å
38	S	49.9	Very low	48	Very low	23 Å²	23	111.7 Å²	111.7	16%	0.161	57%	0.569	C	S	.	*	H	α-helix	trans	-63.7	-18.4	174.2	82.8	0	0	0	0	113.5	R34 L36 Q42	R34-S38 WeakPolarHBondContact O-CB 3.26Å; R34-S38 PolarHBondContact O-N 2.96Å; R34-S38 PolarHBondContact O-OG 2.78Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.02Å; S38-Q42 WeakPolarHBondContact O-CB 3.08Å; S38-Q42 WeakPolarHBondContact O-CG 3.48Å; S38-Q42 PolarHBondContact O-N 2.71Å; S38-Q42 PolarHBondContact O-OE1 3.23Å
39	R	50.1	Low	48	Very low	141 Å²	141	113.2 Å²	113.2	53%	0.532	58%	0.575	S	S	.	*	H	α-helix	trans	-79.9	-19.4	170.8	-86	-178.2	-80.3	165.2	-6	113.2	R35 L36 L37	R35-R39 PolarHBondContact O-NE 2.96Å; R35-R39 PolarHBondContact O-NH2 3.09Å; L36-R39 WeakPolarHBondContact O-CB 3.29Å; L36-R39 PolarHBondContact O-N 3.44Å; L37-R39 PolarHBondContact O-N 3.07Å; L37-R39 VanDerWaalsContact O-N 3.11Å
40	Y	46.9	Very low	47.3	Very low	127 Å²	127	114.1 Å²	114.1	50%	0.498	59%	0.59	S	S	.	*	H	α-helix	trans	-89	-25.8	167.9	-63.1	-75.2	0	0	0	112.2	L36 L37 L62	L36-Y40 VanDerWaalsContact O-CD2 3.25Å; L36-Y40 WeakPolarHBondContact O-CD2 3.32Å; L36-Y40 PolarHBondContact O-N 3.49Å; L37-Y40 CarbonylContact O-C 3.59Å; L37-Y40 WeakPolarHBondContact O-CA 3.45Å; L37-Y40 WeakPolarHBondContact O-CB 3.09Å; L37-Y40 PolarHBondContact O-N 2.8Å; Y40-L62 HydrophobicContact CE1-CD1 4.42Å
41	E	48.1	Very low	46.7	Very low	130 Å²	130	116.3 Å²	116.3	61%	0.607	61%	0.605	S	S	*	*	H	α-helix	trans	-90.5	-37.7	179.1	-64.6	173.4	127.4	0	0	114.6	L37 E43 A44	L37-E41 PolarHBondContact O-N 3.46Å; E41-E43 PolarHBondContact O-N 2.04Å; E41-E43 VanDerWaalsContact O-N 3.15Å; E41-A44 WeakPolarHBondContact O-CB 3.48Å; E41-A44 PolarHBondContact O-N 3.43Å
42	Q	42.3	Very low	46.3	Very low	125 Å²	125	114.7 Å²	114.7	58%	0.584	61%	0.61	S	S	*	*	H	α-helix	trans	-66	-20.6	-172.4	-78.3	170.3	-24.4	0	0	114.4	S38 A44	S38-Q42 WeakPolarHBondContact O-CB 3.08Å; S38-Q42 WeakPolarHBondContact O-CG 3.48Å; S38-Q42 PolarHBondContact O-N 2.71Å; S38-Q42 PolarHBondContact O-OE1 3.23Å; Q42-A44 PolarHBondContact O-N 3.32Å
43	E	46.9	Very low	45.5	Very low	150 Å²	150	114.8 Å²	114.8	70%	0.701	63%	0.628	S	S	*	*	H	α-helix	trans	-72.8	-4.3	169.3	-66.1	-162.1	160.7	0	0	113.5	E41 R58	E41-E43 PolarHBondContact O-N 2.04Å; E41-E43 VanDerWaalsContact O-N 3.15Å; E43-R58 PolarHBondContact O-NH2 3.19Å
44	A	45.1	Very low	44.9	Very low	59 Å²	59	113.8 Å²	113.8	49%	0.488	64%	0.639	S	S	.	*	H	α-helix	trans	-85.8	-31.8	177.5	0	0	0	0	0	113	E41 Q42 R58	E41-A44 WeakPolarHBondContact O-CB 3.48Å; E41-A44 PolarHBondContact O-N 3.43Å; Q42-A44 PolarHBondContact O-N 3.32Å; A44-R58 VanDerWaalsContact CA-NH2 3.3Å; A44-R58 VanDerWaalsContact N-NH2 3.13Å
45	D	38.2	Very low	44	Very low	146 Å²	146	114.5 Å²	114.5	78%	0.781	66%	0.655	S	S	*	*	H	α-helix	trans	-100.8	-14.5	-165.5	-139.4	13.5	0	0	0	113.9	S47	D45-S47 PolarHBondContact O-N 2.87Å
46	H	40.3	Very low	43.6	Very low	189 Å²	189	119.7 Å²	119.7	88%	0.875	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	52.1	175.4	-98	-51.8	0	0	0	113.6
47	S	42.9	Very low	43.5	Very low	105 Å²	105	122.4 Å²	122.4	73%	0.734	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132	23.2	170.2	60.8	0	0	0	0	114.5	D45 V49	D45-S47 PolarHBondContact O-N 2.87Å; S47-V49 PolarHBondContact O-N 3.12Å
48	G	45.5	Very low	43.9	Very low	68 Å²	68	125.3 Å²	125.3	70%	0.701	70%	0.699	S	S	*	*			trans	-68.2	113.8	164.4	0	0	0	0	0	112.4
49	V	39.8	Very low	44.5	Very low	146 Å²	146	131 Å²	131	89%	0.885	72%	0.717	S	S	*	*	S	Bend	trans	66.7	87.5	168	-165.9	0	0	0	0	116.7	S47	S47-V49 PolarHBondContact O-N 3.12Å
50	S	33.6	Very low	45.9	Very low	119 Å²	119	125.3 Å²	125.3	83%	0.832	70%	0.7	S	S	*	*				-176.1	159.4	112.6	-164	0	0	0	0	111
51	S	45.9	Very low	47.8	Very low	97 Å²	97	119.8 Å²	119.8	68%	0.678	68%	0.679	S	S	*	*			trans	-88.6	160.1	-172.4	57.2	0	0	0	0	114.4
52	T	44.1	Very low	49.6	Very low	142 Å²	142	117.5 Å²	117.5	87%	0.871	67%	0.671	S	S	*	*			trans	80.2	68.3	165.7	68.4	0	0	0	0	119.4
53	A	36.1	Very low	51.5	Low	103 Å²	103	118.8 Å²	118.8	85%	0.851	67%	0.67	S	S	*	*			trans	-147.4	148.8	149.1	0	0	0	0	0	110.6
54	G	36.7	Very low	53.4	Low	67 Å²	67	115.1 Å²	115.1	69%	0.691	66%	0.661	S	S	*	*			trans	-81.2	157.7	-178	0	0	0	0	0	114	R56	G54-R56 PolarHBondContact O-N 2.57Å
55	N	36.8	Very low	55.5	Low	172 Å²	172	113.3 Å²	113.3	92%	0.92	64%	0.643	S	S	*	*			trans	-46.2	109.5	-179.5	-78.6	0.6	0	0	0	113
56	R	43.5	Very low	58.2	Low	241 Å²	241	107.5 Å²	107.5	91%	0.909	61%	0.61	S	S	*	*			trans	-91.4	106.6	158.4	-71.8	-179.4	173.2	175.3	-1.9	107.7	G54	G54-R56 PolarHBondContact O-N 2.57Å
57	T	49.7	Very low	60.7	Low	132 Å²	132	101.9 Å²	101.9	81%	0.81	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-60	136.6	167.7	30.6	0	0	0	0	109.8
58	R	59.1	Low	63.1	Low	150 Å²	150	101 Å²	101	57%	0.566	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.3	150.5	168.4	-70.1	-176.3	178.1	172.4	-0.1	109.1	E43 A44	E43-R58 PolarHBondContact O-NH2 3.19Å; A44-R58 VanDerWaalsContact CA-NH2 3.3Å; A44-R58 VanDerWaalsContact N-NH2 3.13Å
59	R	63.6	Low	65.6	Low	141 Å²	141	97.7 Å²	97.7	53%	0.532	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-82.3	144.7	172.1	-65.1	-172.5	-178.4	-179.3	-2.2	109.8	I61	R59-I61 WeakPolarHBondContact CB-O 3.16Å; R59-I61 PolarHBondContact O-N 2.67Å
60	A	77.8	Confident	68.4	Low	23 Å²	23	91.6 Å²	91.6	19%	0.19	50%	0.497	C	S	.	.	S	Bend	trans	-83.1	6.6	175.4	0	0	0	0	0	113.5	T101 A186 V187	A60-T101 HydrophobicContact CB-CG2 3.59Å; A60-T101 WeakPolarHBondContact CB-OG1 3.19Å; A60-A186 HydrophobicContact CB-CB 3.8Å; A60-V187 PolarHBondContact O-N 3.42Å; A60-V187 VanDerWaalsContact O-O 3.09Å
61	I	87.4	Confident	71.4	Confident	10 Å²	10	91.6 Å²	91.6	5%	0.051	48%	0.484	C	S	.	.	S	Bend	trans	-146.2	144.2	167.7	-167	164	0	0	0	110.2	R59 D65 R66 I69 W92 E97 C185 V187	R59-I61 WeakPolarHBondContact CB-O 3.16Å; R59-I61 PolarHBondContact O-N 2.67Å; I61-D65 HydrophobicContact CD1-CB 4.02Å; I61-D65 HydrophobicContact CG1-CB 3.8Å; I61-R66 HydrophobicContact CG2-CB 4.33Å; I61-I69 HydrophobicContact CD1-CD1 3.45Å; I61-I69 VanDerWaalsContact CD1-CD1 3.45Å; I61-W92 HydrophobicContact CD1-CH2 4.12Å; I61-W92 HydrophobicContact CG2-CH2 4.32Å; I61-W92 HydrophobicContact CG2-CZ2 3.97Å; I61-E97 HydrophobicContact CG2-CG 4.34Å; I61-C185 WeakPolarHBondContact CG2-O 3.33Å; I61-V187 HydrophobicContact CD1-CG2 4.38Å
62	L	85.9	Confident	73.9	Confident	83 Å²	83	88.1 Å²	88.1	44%	0.435	46%	0.458	S	S	.	.			trans	-71	151.6	175.1	-63.1	173.8	0	0	0	110.5	Y40 S64 D65 R66	Y40-L62 HydrophobicContact CE1-CD1 4.42Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 WeakPolarHBondContact CB-OG 3.41Å; L62-S64 PolarHBondContact O-N 2.84Å; L62-D65 HydrophobicContact CB-CB 4.37Å; L62-D65 PolarHBondContact O-N 2.83Å; L62-R66 WeakPolarHBondContact O-CB 3.36Å; L62-R66 PolarHBondContact O-N 2.94Å
63	W	83.4	Confident	76.5	Confident	152 Å²	152	81.4 Å²	81.4	58%	0.576	42%	0.417	S	S	*	.	H	α-helix	trans	-64.1	-34.8	179.2	-174.9	-97.8	0	0	0	112.7	R66 E67	W63-R66 VanDerWaalsContact CZ3-CZ 3.48Å; W63-R66 VanDerWaalsContact CZ3-NE 3.32Å; W63-E67 WeakPolarHBondContact O-CB 3.03Å; W63-E67 PolarHBondContact O-N 3.01Å; W63-E67 VanDerWaalsContact O-N 3.13Å
64	S	86.1	Confident	79.5	Confident	72 Å²	72	76.9 Å²	76.9	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-54.8	-51.2	171.2	40.1	0	0	0	0	111.8	L62 E67 E68	L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 WeakPolarHBondContact CB-OG 3.41Å; L62-S64 PolarHBondContact O-N 2.84Å; S64-E67 PolarHBondContact O-N 3.11Å; S64-E68 WeakPolarHBondContact O-CB 3.3Å; S64-E68 PolarHBondContact O-N 2.92Å
65	D	89.7	Confident	82.4	Confident	21 Å²	21	80.6 Å²	80.6	11%	0.112	38%	0.375	C	S	.	.	H	α-helix	trans	-74.9	-36.6	-170.2	-56.8	30.9	0	0	0	110.3	I61 L62 E67 E68 I69 P134	I61-D65 HydrophobicContact CD1-CB 4.02Å; I61-D65 HydrophobicContact CG1-CB 3.8Å; L62-D65 HydrophobicContact CB-CB 4.37Å; L62-D65 PolarHBondContact O-N 2.83Å; D65-E67 VanDerWaalsContact C-N 3.35Å; D65-E68 PolarHBondContact O-N 3.07Å; D65-I69 WeakPolarHBondContact O-CB 3.47Å; D65-I69 WeakPolarHBondContact O-CG1 3.49Å; D65-I69 PolarHBondContact O-N 2.94Å; D65-P134 HydrophobicContact CB-CG 4.07Å
66	R	93.5	Very high	85.4	Confident	24 Å²	24	73 Å²	73	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-55.6	-47.2	168.1	157.5	168.1	175.4	155.4	2.4	112.1	I61 L62 W63 L70 W92 D94 E97	I61-R66 HydrophobicContact CG2-CB 4.33Å; L62-R66 WeakPolarHBondContact O-CB 3.36Å; L62-R66 PolarHBondContact O-N 2.94Å; W63-R66 VanDerWaalsContact CZ3-CZ 3.48Å; W63-R66 VanDerWaalsContact CZ3-NE 3.32Å; R66-L70 WeakPolarHBondContact O-CB 3.39Å; R66-L70 PolarHBondContact O-N 3.19Å; R66-L70 VanDerWaalsContact O-N 3.08Å; R66-W92 HydrophobicContact CB-CE3 4.39Å; R66-W92 HydrophobicContact CB-CH2 3.96Å; R66-W92 HydrophobicContact CB-CZ2 4.11Å; R66-W92 HydrophobicContact CB-CZ3 4.11Å; R66-W92 HydrophobicContact CG-CD2 3.64Å; R66-W92 HydrophobicContact CG-CE3 3.77Å; R66-W92 HydrophobicContact CG-CG 4.13Å; R66-W92 HydrophobicContact CG-CH2 4.12Å; R66-W92 HydrophobicContact CG-CZ2 4.02Å; R66-W92 HydrophobicContact CG-CZ3 4Å; R66-W92 VanDerWaalsContact NH1-NE1 3.19Å; R66-W92 VanDerWaalsContact NH2-CD1 3.25Å; R66-D94 IonicContact CZ-OD1 3.26Å; R66-D94 IonicContact NH1-OD1 2.67Å; R66-D94 PolarHBondContact NH1-OD1 3.01Å; R66-D94 IonicContact NH2-OD1 3.82Å; R66-D94 PolarHBondContact NH2-OD1 3.32Å; R66-E97 IonicContact CZ-OE2 3.7Å; R66-E97 IonicContact NH1-OE2 3.9Å; R66-E97 PolarHBondContact NH1-OE2 2.85Å
67	E	92.9	Very high	88	Confident	72 Å²	72	61.7 Å²	61.7	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-70.5	-41.9	179.4	-172.4	61.9	-154.3	0	0	111.3	W63 S64 D65 I69 L70 Q71	W63-E67 WeakPolarHBondContact O-CB 3.03Å; W63-E67 PolarHBondContact O-N 3.01Å; W63-E67 VanDerWaalsContact O-N 3.13Å; S64-E67 PolarHBondContact O-N 3.11Å; D65-E67 VanDerWaalsContact C-N 3.35Å; E67-I69 PolarHBondContact O-N 3.02Å; E67-L70 PolarHBondContact O-N 2.91Å; E67-Q71 HydrophobicContact CG-CG 4.39Å; E67-Q71 WeakPolarHBondContact O-CB 3.43Å; E67-Q71 VanDerWaalsContact O-CG 3.31Å; E67-Q71 WeakPolarHBondContact O-CG 3.35Å; E67-Q71 PolarHBondContact O-N 3.35Å; E67-Q71 PolarHBondContact OE1-NE2 2.89Å
68	E	94.1	Very high	90.3	Very high	85 Å²	85	55.8 Å²	55.8	40%	0.397	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-47.2	175.4	-164.4	-169.5	-155	0	0	111.5	S64 D65 L70 L72 A135	S64-E68 WeakPolarHBondContact O-CB 3.3Å; S64-E68 PolarHBondContact O-N 2.92Å; D65-E68 PolarHBondContact O-N 3.07Å; E68-L70 PolarHBondContact O-N 2.99Å; E68-L72 WeakPolarHBondContact O-CB 3.48Å; E68-L72 PolarHBondContact O-N 3.36Å; E68-A135 HydrophobicContact CB-CB 4.5Å; E68-A135 HydrophobicContact CG-CB 3.62Å; E68-A135 WeakPolarHBondContact OE2-CB 3.28Å
69	I	97.7	Very high	92.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-48.6	173.8	-72.7	171.1	0	0	0	110.8	I61 D65 E67 L72 H73 W92 P134 V138 C185 L206	I61-I69 HydrophobicContact CD1-CD1 3.45Å; I61-I69 VanDerWaalsContact CD1-CD1 3.45Å; D65-I69 WeakPolarHBondContact O-CB 3.47Å; D65-I69 WeakPolarHBondContact O-CG1 3.49Å; D65-I69 PolarHBondContact O-N 2.94Å; E67-I69 PolarHBondContact O-N 3.02Å; I69-L72 PolarHBondContact O-N 3.02Å; I69-H73 WeakPolarHBondContact CG2-ND1 3.42Å; I69-H73 WeakPolarHBondContact O-CB 3.08Å; I69-H73 PolarHBondContact O-N 3.17Å; I69-H73 PolarHBondContact O-ND1 3.17Å; I69-W92 HydrophobicContact CB-CZ3 4.11Å; I69-W92 HydrophobicContact CD1-CH2 4.34Å; I69-W92 HydrophobicContact CD1-CZ3 4.38Å; I69-W92 HydrophobicContact CG2-CZ3 3.84Å; I69-P134 HydrophobicContact CD1-CB 3.66Å; I69-P134 HydrophobicContact CG1-CB 3.96Å; I69-V138 HydrophobicContact CG1-CG2 4.17Å; I69-V138 HydrophobicContact CG2-CG2 4.23Å; I69-C185 HydrophobicContact CD1-CB 4.09Å; I69-L206 HydrophobicContact CD1-CD1 4.49Å
70	L	98	Very high	93.8	Very high	17 Å²	17	46 Å²	46	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-41.1	-174.4	-172.1	68.3	0	0	0	112.2	R66 E67 E68 N74 M90 W92 V183	R66-L70 WeakPolarHBondContact O-CB 3.39Å; R66-L70 PolarHBondContact O-N 3.19Å; R66-L70 VanDerWaalsContact O-N 3.08Å; E67-L70 PolarHBondContact O-N 2.91Å; E68-L70 PolarHBondContact O-N 2.99Å; L70-N74 PolarHBondContact O-N 3.44Å; L70-N74 VanDerWaalsContact O-N 3.15Å; L70-N74 PolarHBondContact O-ND2 3.32Å; L70-M90 HydrophobicContact CD1-CG 4.32Å; L70-M90 WeakPolarHBondContact CD1-O 3.49Å; L70-W92 HydrophobicContact CB-CE3 4.47Å; L70-W92 HydrophobicContact CD1-CB 4.44Å; L70-W92 HydrophobicContact CD2-CB 4.18Å; L70-V183 HydrophobicContact CD1-CG1 3.86Å
71	Q	97.4	Very high	94.7	Very high	119 Å²	119	53.7 Å²	53.7	56%	0.556	26%	0.259	S	S	*	.	H	α-helix	trans	-65.2	-43.1	175.1	-71.2	-177.2	12.2	0	0	111	E67 N74 K75	E67-Q71 HydrophobicContact CG-CG 4.39Å; E67-Q71 WeakPolarHBondContact O-CB 3.43Å; E67-Q71 VanDerWaalsContact O-CG 3.31Å; E67-Q71 WeakPolarHBondContact O-CG 3.35Å; E67-Q71 PolarHBondContact O-N 3.35Å; E67-Q71 PolarHBondContact OE1-NE2 2.89Å; Q71-N74 PolarHBondContact O-N 3.32Å; Q71-K75 VanDerWaalsContact O-CB 3.25Å; Q71-K75 WeakPolarHBondContact O-CB 3.45Å; Q71-K75 PolarHBondContact O-N 3.25Å
72	L	98.5	Very high	95.2	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-44.5	178.4	-175.9	57.6	0	0	0	111.9	E68 I69 N74 K75 L76 A135 V138 Q139	E68-L72 WeakPolarHBondContact O-CB 3.48Å; E68-L72 PolarHBondContact O-N 3.36Å; I69-L72 PolarHBondContact O-N 3.02Å; L72-N74 PolarHBondContact O-N 2.95Å; L72-K75 PolarHBondContact O-N 3.46Å; L72-L76 HydrophobicContact CD1-CD1 3.72Å; L72-L76 HydrophobicContact CD1-CD2 4.35Å; L72-L76 HydrophobicContact CD1-CG 3.84Å; L72-L76 HydrophobicContact CG-CD1 3.71Å; L72-L76 HydrophobicContact CG-CG 4.28Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 2.97Å; L72-A135 HydrophobicContact CD2-CB 3.8Å; L72-A135 VanDerWaalsContact CD2-O 3.28Å; L72-A135 WeakPolarHBondContact CD2-O 3.45Å; L72-V138 HydrophobicContact CB-CG1 4.44Å; L72-V138 HydrophobicContact CD2-CB 3.91Å; L72-V138 HydrophobicContact CD2-CG1 3.83Å; L72-V138 HydrophobicContact CG-CG1 3.95Å; L72-Q139 HydrophobicContact CD2-CB 4.45Å
73	H	98.8	Very high	95.8	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.3	-51.7	173.7	-85.5	80.8	0	0	0	111.6	I69 L76 R77 M90 Y210	I69-H73 WeakPolarHBondContact CG2-ND1 3.42Å; I69-H73 WeakPolarHBondContact O-CB 3.08Å; I69-H73 PolarHBondContact O-N 3.17Å; I69-H73 PolarHBondContact O-ND1 3.17Å; H73-L76 PolarHBondContact O-N 2.81Å; H73-R77 WeakPolarHBondContact O-CB 3.38Å; H73-R77 WeakPolarHBondContact O-CD 3.26Å; H73-R77 WeakPolarHBondContact O-CG 3.28Å; H73-R77 PolarHBondContact O-N 3.38Å; H73-M90 HydrophobicContact CB-SD 3.78Å; H73-M90 VanDerWaalsContact CD2-SD 3.6Å; H73-Y210 AromaticContact CD2-CE1 3.88Å; H73-Y210 AromaticContact NE2-CE1 3.44Å; H73-Y210 WeakPolarHBondContact NE2-CE1 3.43Å; H73-Y210 AromaticContact NE2-CZ 3.54Å; H73-Y210 PolarHBondContact NE2-OH 3.33Å
74	N	98.6	Very high	96.5	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-44.2	-179.6	-77	-64.9	0	0	0	112.1	L70 Q71 L72 L76 R77 G78 Y89 M90 L243	L70-N74 PolarHBondContact O-N 3.44Å; L70-N74 VanDerWaalsContact O-N 3.15Å; L70-N74 PolarHBondContact O-ND2 3.32Å; Q71-N74 PolarHBondContact O-N 3.32Å; L72-N74 PolarHBondContact O-N 2.95Å; N74-L76 VanDerWaalsContact C-N 3.33Å; N74-L76 PolarHBondContact O-N 2.82Å; N74-R77 PolarHBondContact O-N 3.45Å; N74-G78 PolarHBondContact O-N 3.11Å; N74-Y89 HydrophobicContact CB-CE2 4.15Å; N74-Y89 WeakPolarHBondContact OD1-CD2 3.27Å; N74-M90 PolarHBondContact ND2-O 3.35Å; N74-M90 PolarHBondContact OD1-N 3.02Å; N74-L243 HydrophobicContact CB-CD1 3.74Å; N74-L243 WeakPolarHBondContact OD1-CD1 3.48Å
75	K	98.6	Very high	97.1	Very high	145 Å²	145	41.7 Å²	41.7	63%	0.63	20%	0.204	S	C	*	.	H	α-helix	trans	-55.8	-46.1	176.2	-179	-172.8	176.1	-170.5	0	112.1	Q71 L72 G78 S79	Q71-K75 VanDerWaalsContact O-CB 3.25Å; Q71-K75 WeakPolarHBondContact O-CB 3.45Å; Q71-K75 PolarHBondContact O-N 3.25Å; L72-K75 PolarHBondContact O-N 3.46Å; K75-G78 PolarHBondContact O-N 2.77Å; K75-S79 WeakPolarHBondContact O-CB 3.32Å; K75-S79 PolarHBondContact O-N 2.84Å; K75-S79 PolarHBondContact O-OG 2.92Å
76	L	98.7	Very high	97.4	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-45.6	179.9	-68.4	171	0	0	0	111.6	L72 H73 N74 G78 S79 V80 V138 Y142 L175	L72-L76 HydrophobicContact CD1-CD1 3.72Å; L72-L76 HydrophobicContact CD1-CD2 4.35Å; L72-L76 HydrophobicContact CD1-CG 3.84Å; L72-L76 HydrophobicContact CG-CD1 3.71Å; L72-L76 HydrophobicContact CG-CG 4.28Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 2.97Å; H73-L76 PolarHBondContact O-N 2.81Å; N74-L76 VanDerWaalsContact C-N 3.33Å; N74-L76 PolarHBondContact O-N 2.82Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 2.88Å; L76-S79 PolarHBondContact O-N 3.21Å; L76-V80 PolarHBondContact O-N 3.24Å; L76-V138 HydrophobicContact CD1-CG1 4.33Å; L76-Y142 HydrophobicContact CB-CD2 3.72Å; L76-Y142 HydrophobicContact CB-CE2 3.77Å; L76-Y142 HydrophobicContact CB-CG 4.38Å; L76-Y142 HydrophobicContact CD1-CD2 3.97Å; L76-Y142 HydrophobicContact CD1-CG 3.9Å; L76-Y142 HydrophobicContact CD2-CD1 3.8Å; L76-Y142 HydrophobicContact CD2-CD2 3.93Å; L76-Y142 HydrophobicContact CD2-CE1 3.93Å; L76-Y142 HydrophobicContact CD2-CE2 4.05Å; L76-Y142 HydrophobicContact CD2-CG 3.79Å; L76-Y142 HydrophobicContact CG-CD2 4.07Å; L76-Y142 HydrophobicContact CG-CE2 4.38Å; L76-Y142 HydrophobicContact CG-CG 4.23Å; L76-L175 HydrophobicContact CB-CD2 3.98Å; L76-L175 HydrophobicContact CD1-CD1 4.25Å; L76-L175 HydrophobicContact CD1-CD2 4.3Å
77	R	98.8	Very high	97.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-38.4	173.9	-71.7	166.4	70.9	79.1	0.8	112.6	H73 N74 S79 M87 E88 L175 W177 A178 T180 L243	H73-R77 WeakPolarHBondContact O-CB 3.38Å; H73-R77 WeakPolarHBondContact O-CD 3.26Å; H73-R77 WeakPolarHBondContact O-CG 3.28Å; H73-R77 PolarHBondContact O-N 3.38Å; N74-R77 PolarHBondContact O-N 3.45Å; R77-S79 VanDerWaalsContact C-N 3.28Å; R77-S79 PolarHBondContact O-N 2.64Å; R77-M87 HydrophobicContact CB-CG 3.89Å; R77-M87 HydrophobicContact CB-SD 3.92Å; R77-M87 HydrophobicContact CG-SD 4.07Å; R77-M87 VanDerWaalsContact CZ-SD 3.53Å; R77-E88 PolarHBondContact NE-O 3.02Å; R77-E88 PolarHBondContact NH2-O 3.19Å; R77-L175 WeakPolarHBondContact CD-O 3.45Å; R77-L175 HydrophobicContact CG-CD2 4.33Å; R77-L175 VanDerWaalsContact CG-O 3.32Å; R77-L175 WeakPolarHBondContact CG-O 3.48Å; R77-L175 PolarHBondContact NH1-O 3.21Å; R77-W177 PolarHBondContact NH1-O 3.34Å; R77-W177 PolarHBondContact NH2-O 3.07Å; R77-A178 PolarHBondContact NH2-O 3.3Å; R77-T180 PolarHBondContact NH2-O 3.15Å; R77-T180 VanDerWaalsContact NH2-O 3.14Å; R77-L243 HydrophobicContact CB-CD2 3.72Å
78	G	98.2	Very high	97.9	Very high	9 Å²	9	38.1 Å²	38.1	9%	0.093	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.9	175.7	0	0	0	0	0	115.1	N74 K75 L76 D241 N242	N74-G78 PolarHBondContact O-N 3.11Å; K75-G78 PolarHBondContact O-N 2.77Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 2.88Å; G78-D241 WeakPolarHBondContact CA-O 3.39Å; G78-N242 WeakPolarHBondContact O-CB 3.36Å; G78-N242 PolarHBondContact O-ND2 2.83Å
79	S	98	Very high	98	Very high	75 Å²	75	36.3 Å²	36.3	52%	0.524	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	9.7	-175.7	-55.7	0	0	0	0	114	K75 L76 R77	K75-S79 WeakPolarHBondContact O-CB 3.32Å; K75-S79 PolarHBondContact O-N 2.84Å; K75-S79 PolarHBondContact O-OG 2.92Å; L76-S79 PolarHBondContact O-N 3.21Å; R77-S79 VanDerWaalsContact C-N 3.28Å; R77-S79 PolarHBondContact O-N 2.64Å
80	V	98.5	Very high	98	Very high	10 Å²	10	36.3 Å²	36.3	6%	0.061	18%	0.178	C	C	.	.			trans	-66.2	146.7	-176.7	-61.3	0	0	0	0	113	L76 A84 M87 V176 Y222	L76-V80 PolarHBondContact O-N 3.24Å; V80-A84 HydrophobicContact CG2-CB 3.91Å; V80-M87 HydrophobicContact CG1-CE 4.18Å; V80-M87 HydrophobicContact CG2-CE 3.89Å; V80-V176 HydrophobicContact CG1-CB 3.95Å; V80-V176 HydrophobicContact CG1-CG1 3.59Å; V80-Y222 HydrophobicContact CB-CE1 4.09Å; V80-Y222 HydrophobicContact CG1-CE1 4.27Å; V80-Y222 HydrophobicContact CG2-CE1 4.03Å; V80-Y222 HydrophobicContact CG2-CE2 4.34Å
81	Y	96.3	Very high	98	Very high	185 Å²	185	38.2 Å²	38.2	73%	0.725	19%	0.19	S	C	*	.	S	Bend	trans	-125.7	134.7	168.5	-173.9	-93.6	0	0	0	110	Y222	Y81-Y222 PolarHBondContact O-OH 3.23Å
82	P	97.9	Very high	97.9	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.039	17%	0.168	C	C	.	.	S	Bend	cis	-65.2	163	-6.5	33.3	-37.9	0	0	0	111.9	Y150 Y152 Y222	P82-Y150 VanDerWaalsContact CD-CB 3.46Å; P82-Y150 HydrophobicContact CG-CD1 3.52Å; P82-Y150 HydrophobicContact CG-CD2 4.06Å; P82-Y150 HydrophobicContact CG-CE1 4.12Å; P82-Y150 HydrophobicContact CG-CG 3.5Å; P82-Y152 HydrophobicContact CG-CE1 4.31Å; P82-Y222 HydrophobicContact CG-CE2 4.46Å; P82-Y222 WeakPolarHBondContact O-CE2 3.31Å; P82-Y222 PolarHBondContact O-OH 3.46Å
83	T	98.4	Very high	97.7	Very high	52 Å²	52	33.6 Å²	33.6	32%	0.319	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-71	141.5	-169.5	52.9	0	0	0	0	112.6	H224 G225 P227	T83-H224 WeakPolarHBondContact O-CA 3.39Å; T83-H224 PolarHBondContact O-CD2 3.02Å; T83-G225 CarbonylContact C-O 3.56Å; T83-G225 WeakPolarHBondContact CB-O 3.4Å; T83-G225 PolarHBondContact O-N 2.93Å; T83-G225 PolarHBondContact OG1-O 3.07Å; T83-P227 HydrophobicContact CG2-CG 4.33Å
84	A	98.4	Very high	97.2	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-92.5	130.2	-178.3	0	0	0	0	0	112.7	V80 M87 Y222 Q223 P227	V80-A84 HydrophobicContact CG2-CB 3.91Å; A84-M87 HydrophobicContact CB-CB 3.89Å; A84-M87 HydrophobicContact CB-CE 3.72Å; A84-Y222 HydrophobicContact CB-CD1 4.48Å; A84-Y222 HydrophobicContact CB-CD2 3.54Å; A84-Y222 HydrophobicContact CB-CE2 4.2Å; A84-Y222 HydrophobicContact CB-CG 3.71Å; A84-Q223 CarbonylContact C-O 3.52Å; A84-Q223 WeakPolarHBondContact CA-O 3.11Å; A84-P227 WeakPolarHBondContact O-CA 3.18Å
85	S	97.7	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-82.4	-21	177.8	56.4	0	0	0	0	114.9	Q223 R226 C228 S229 Q230	S85-Q223 PolarHBondContact N-O 3.47Å; S85-Q223 WeakPolarHBondContact OG-CB 3.41Å; S85-Q223 PolarHBondContact OG-O 3.02Å; S85-R226 WeakPolarHBondContact CA-O 3.49Å; S85-C228 CarbonylContact O-C 3.6Å; S85-C228 VanDerWaalsContact O-C 3.23Å; S85-C228 WeakPolarHBondContact O-CA 3.31Å; S85-S229 VanDerWaalsContact CB-OG 3.3Å; S85-S229 WeakPolarHBondContact CB-OG 3.46Å; S85-S229 PolarHBondContact O-N 2.99Å; S85-Q230 CarbonylContact O-C 3.36Å; S85-Q230 PolarHBondContact O-N 2.03Å; S85-Q230 PolarHBondContact OG-NE2 3.19Å
86	N	97.1	Very high	96.2	Very high	18 Å²	18	35.2 Å²	35.2	10%	0.096	18%	0.18	C	C	.	.	S	Bend	trans	-128.6	16.4	-166.7	70.7	-27.1	0	0	0	114.3	E88 A178 Q223 Q230	N86-E88 PolarHBondContact O-N 2.88Å; N86-A178 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q223 PolarHBondContact OD1-N 3.4Å; N86-Q230 HydrophobicContact CB-CB 4.25Å; N86-Q230 WeakPolarHBondContact CB-O 3.37Å
87	M	98.6	Very high	96	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.18	C	C	.	.			trans	-66.1	111.3	-174.6	-171.4	72.1	70.4	0	0	111.8	R77 V80 A84 V176 A178 Y222 L243 C244	R77-M87 HydrophobicContact CB-CG 3.89Å; R77-M87 HydrophobicContact CB-SD 3.92Å; R77-M87 HydrophobicContact CG-SD 4.07Å; R77-M87 VanDerWaalsContact CZ-SD 3.53Å; V80-M87 HydrophobicContact CG1-CE 4.18Å; V80-M87 HydrophobicContact CG2-CE 3.89Å; A84-M87 HydrophobicContact CB-CB 3.89Å; A84-M87 HydrophobicContact CB-CE 3.72Å; M87-V176 HydrophobicContact CE-CB 4.26Å; M87-V176 VanDerWaalsContact CE-O 3.31Å; M87-V176 WeakPolarHBondContact CE-O 3.36Å; M87-A178 HydrophobicContact SD-CB 4.49Å; M87-Y222 HydrophobicContact CE-CD1 3.67Å; M87-Y222 HydrophobicContact CE-CE1 4.37Å; M87-Y222 HydrophobicContact CE-CG 3.99Å; M87-L243 HydrophobicContact CB-CD2 4.07Å; M87-L243 HydrophobicContact CG-CD2 3.36Å; M87-L243 WeakPolarHBondContact O-CA 3.38Å; M87-C244 PolarHBondContact O-N 2.93Å; M87-C244 PolarHBondContact O-SG 2.84Å
88	E	97.4	Very high	95.4	Very high	24 Å²	24	41.8 Å²	41.8	11%	0.112	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-72.7	141	179.7	-60.6	-174.5	-159.1	0	0	111.9	R77 N86 M90 A178 S181 P232 F235	R77-E88 PolarHBondContact NE-O 3.02Å; R77-E88 PolarHBondContact NH2-O 3.19Å; N86-E88 PolarHBondContact O-N 2.88Å; E88-M90 PolarHBondContact O-N 2.78Å; E88-A178 VanDerWaalsContact CB-O 3.23Å; E88-A178 WeakPolarHBondContact CB-O 3.26Å; E88-A178 WeakPolarHBondContact CG-O 3.26Å; E88-A178 PolarHBondContact N-O 3.37Å; E88-S181 WeakPolarHBondContact OE2-CB 3.42Å; E88-S181 PolarHBondContact OE2-OG 3.01Å; E88-P232 HydrophobicContact CG-CG 4.26Å; E88-F235 HydrophobicContact CB-CE2 4.12Å; E88-F235 HydrophobicContact CB-CZ 3.75Å; E88-F235 HydrophobicContact CG-CE2 3.61Å; E88-F235 HydrophobicContact CG-CZ 3.76Å; E88-F235 WeakPolarHBondContact OE2-CZ 3.24Å
89	Y	97.4	Very high	94.9	Very high	46 Å²	46	42.5 Å²	42.5	18%	0.18	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-65	131.4	167.6	-175.3	-87.7	0	0	0	110.2	N74 V91 S181 L243 C244 Y245	N74-Y89 HydrophobicContact CB-CE2 4.15Å; N74-Y89 WeakPolarHBondContact OD1-CD2 3.27Å; Y89-V91 HydrophobicContact CD1-CG1 4.05Å; Y89-V91 HydrophobicContact CE1-CG1 4.1Å; Y89-S181 WeakPolarHBondContact O-CB 3.21Å; Y89-L243 HydrophobicContact CD2-CB 4.3Å; Y89-L243 HydrophobicContact CD2-CD1 3.59Å; Y89-L243 HydrophobicContact CE2-CD1 4.27Å; Y89-L243 HydrophobicContact CG-CD1 4.43Å; Y89-C244 WeakPolarHBondContact CB-O 3.22Å; Y89-C244 PolarHBondContact N-O 2.98Å; Y89-Y245 HydrophobicContact CD1-CD2 4.01Å; Y89-Y245 AromaticContact CD1-CE2 3.98Å; Y89-Y245 HydrophobicContact CD1-CE2 3.98Å; Y89-Y245 AromaticContact CD2-CD2 3.53Å; Y89-Y245 HydrophobicContact CD2-CD2 3.53Å; Y89-Y245 AromaticContact CD2-CE2 3.92Å; Y89-Y245 HydrophobicContact CD2-CE2 3.92Å; Y89-Y245 HydrophobicContact CE1-CD2 4.41Å; Y89-Y245 AromaticContact CE1-CE2 3.97Å; Y89-Y245 HydrophobicContact CE1-CE2 3.97Å; Y89-Y245 AromaticContact CE2-CD2 3.97Å; Y89-Y245 HydrophobicContact CE2-CD2 3.97Å; Y89-Y245 AromaticContact CE2-CE2 3.9Å; Y89-Y245 HydrophobicContact CE2-CE2 3.9Å; Y89-Y245 AromaticContact CG-CD2 3.56Å; Y89-Y245 HydrophobicContact CG-CD2 3.56Å; Y89-Y245 AromaticContact CG-CE2 3.97Å; Y89-Y245 HydrophobicContact CG-CE2 3.97Å; Y89-Y245 AromaticContact CZ-CE2 3.94Å
90	M	97.6	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-92.9	130.9	-176.4	-172.8	176.4	-78.5	0	0	110.6	L70 H73 N74 E88 T180 S181 V183 Y210	L70-M90 HydrophobicContact CD1-CG 4.32Å; L70-M90 WeakPolarHBondContact CD1-O 3.49Å; H73-M90 HydrophobicContact CB-SD 3.78Å; H73-M90 VanDerWaalsContact CD2-SD 3.6Å; N74-M90 PolarHBondContact ND2-O 3.35Å; N74-M90 PolarHBondContact OD1-N 3.02Å; E88-M90 PolarHBondContact O-N 2.78Å; M90-T180 HydrophobicContact CE-CG2 3.97Å; M90-T180 VanDerWaalsContact CE-O 3.28Å; M90-T180 WeakPolarHBondContact CE-O 3.47Å; M90-S181 WeakPolarHBondContact CA-O 3.33Å; M90-V183 HydrophobicContact CG-CB 4.19Å; M90-V183 HydrophobicContact CG-CG1 3.85Å; M90-V183 HydrophobicContact SD-CB 3.64Å; M90-V183 HydrophobicContact SD-CG1 3.55Å; M90-V183 VanDerWaalsContact SD-CG1 3.55Å; M90-Y210 HydrophobicContact CE-CD1 4.18Å; M90-Y210 HydrophobicContact CE-CE1 4.28Å
91	V	96.4	Very high	94.5	Very high	57 Å²	57	39.6 Å²	39.6	35%	0.345	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	156.1	172.8	-59.6	0	0	0	0	110.9	Y89 S181 R182 V183	Y89-V91 HydrophobicContact CD1-CG1 4.05Å; Y89-V91 HydrophobicContact CE1-CG1 4.1Å; V91-S181 PolarHBondContact N-O 3.36Å; V91-R182 HydrophobicContact CG2-CG 4.08Å; V91-R182 WeakPolarHBondContact O-CA 3.21Å; V91-V183 PolarHBondContact O-N 2.79Å; V91-V183 VanDerWaalsContact O-N 3.09Å
92	W	96.9	Very high	94.2	Very high	22 Å²	22	36.3 Å²	36.3	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.2	171.4	-165.3	-82.8	0	0	0	111.4	I61 R66 I69 L70 E97 V183 C185	I61-W92 HydrophobicContact CD1-CH2 4.12Å; I61-W92 HydrophobicContact CG2-CH2 4.32Å; I61-W92 HydrophobicContact CG2-CZ2 3.97Å; R66-W92 HydrophobicContact CB-CE3 4.39Å; R66-W92 HydrophobicContact CB-CH2 3.96Å; R66-W92 HydrophobicContact CB-CZ2 4.11Å; R66-W92 HydrophobicContact CB-CZ3 4.11Å; R66-W92 HydrophobicContact CG-CD2 3.64Å; R66-W92 HydrophobicContact CG-CE3 3.77Å; R66-W92 HydrophobicContact CG-CG 4.13Å; R66-W92 HydrophobicContact CG-CH2 4.12Å; R66-W92 HydrophobicContact CG-CZ2 4.02Å; R66-W92 HydrophobicContact CG-CZ3 4Å; R66-W92 VanDerWaalsContact NH1-NE1 3.19Å; R66-W92 VanDerWaalsContact NH2-CD1 3.25Å; I69-W92 HydrophobicContact CB-CZ3 4.11Å; I69-W92 HydrophobicContact CD1-CH2 4.34Å; I69-W92 HydrophobicContact CD1-CZ3 4.38Å; I69-W92 HydrophobicContact CG2-CZ3 3.84Å; L70-W92 HydrophobicContact CB-CE3 4.47Å; L70-W92 HydrophobicContact CD1-CB 4.44Å; L70-W92 HydrophobicContact CD2-CB 4.18Å; W92-E97 HydrophobicContact CZ2-CB 4.23Å; W92-E97 HydrophobicContact CZ2-CG 4.16Å; W92-E97 PolarHBondContact NE1-OE2 3.31Å; W92-V183 CarbonylContact C-O 3.6Å; W92-V183 VanDerWaalsContact CA-O 3.28Å; W92-V183 WeakPolarHBondContact CA-O 3.5Å; W92-V183 HydrophobicContact CE3-CG1 4.2Å; W92-C185 HydrophobicContact CH2-CB 3.76Å; W92-C185 VanDerWaalsContact CH2-N 3.3Å; W92-C185 HydrophobicContact CZ2-CB 4.45Å; W92-C185 HydrophobicContact CZ3-CB 4.47Å
93	D	94.1	Very high	94	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.139	18%	0.182	C	C	.	.			trans	-127.3	116.6	176.3	-164.9	-59.6	0	0	0	111.9	E95 L96 E97 R182 V183	D93-E95 VanDerWaalsContact C-N 3.26Å; D93-E95 PolarHBondContact O-N 3.45Å; D93-E95 WeakPolarHBondContact OD1-CA 3.47Å; D93-E95 WeakPolarHBondContact OD1-CB 3.48Å; D93-E95 PolarHBondContact OD1-N 2.94Å; D93-L96 HydrophobicContact CB-CB 4.2Å; D93-L96 HydrophobicContact CB-CD1 3.9Å; D93-L96 HydrophobicContact CB-CG 3.91Å; D93-L96 PolarHBondContact O-N 3.5Å; D93-L96 PolarHBondContact OD1-N 2.97Å; D93-E97 PolarHBondContact O-N 3.22Å; D93-R182 HydrophobicContact CB-CB 4.11Å; D93-R182 HydrophobicContact CB-CG 4.44Å; D93-R182 WeakPolarHBondContact OD2-CD 3.34Å; D93-R182 IonicContact OD2-CZ 3.15Å; D93-R182 IonicContact OD2-NE 3.59Å; D93-R182 IonicContact OD2-NH1 2.68Å; D93-R182 PolarHBondContact OD2-NH1 3.05Å; D93-V183 PolarHBondContact N-O 2.77Å
94	D	88.6	Confident	93.9	Very high	64 Å²	64	35 Å²	35	34%	0.342	17%	0.167	S	C	.	.	H	α-helix	trans	-69.1	-19.3	-176.9	-60	0.4	0	0	0	113	R66 R98	R66-D94 IonicContact CZ-OD1 3.26Å; R66-D94 IonicContact NH1-OD1 2.67Å; R66-D94 PolarHBondContact NH1-OD1 3.01Å; R66-D94 IonicContact NH2-OD1 3.82Å; R66-D94 PolarHBondContact NH2-OD1 3.32Å; D94-R98 WeakPolarHBondContact O-CG 3.49Å; D94-R98 PolarHBondContact O-N 3.22Å; D94-R98 PolarHBondContact O-NE 3.25Å; D94-R98 PolarHBondContact O-NH1 2.9Å; D94-R98 PolarHBondContact O-NH2 2.04Å
95	E	85.9	Confident	93.7	Very high	107 Å²	107	39.8 Å²	39.8	50%	0.5	19%	0.188	S	C	.	.	H	α-helix	trans	-75.9	-37.5	171.7	-69.9	-177.4	177.8	0	0	110.8	D93 R98 S99	D93-E95 VanDerWaalsContact C-N 3.26Å; D93-E95 PolarHBondContact O-N 3.45Å; D93-E95 WeakPolarHBondContact OD1-CA 3.47Å; D93-E95 WeakPolarHBondContact OD1-CB 3.48Å; D93-E95 PolarHBondContact OD1-N 2.94Å; E95-R98 PolarHBondContact O-N 3.29Å; E95-S99 PolarHBondContact O-N 2.04Å
96	L	90.3	Very high	93.5	Very high	17 Å²	17	44 Å²	44	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-39.6	172.7	-60.6	-179	0	0	0	111.7	D93 S99 A100 I120 R182 N209	D93-L96 HydrophobicContact CB-CB 4.2Å; D93-L96 HydrophobicContact CB-CD1 3.9Å; D93-L96 HydrophobicContact CB-CG 3.91Å; D93-L96 PolarHBondContact O-N 3.5Å; D93-L96 PolarHBondContact OD1-N 2.97Å; L96-S99 PolarHBondContact O-N 2.92Å; L96-A100 WeakPolarHBondContact O-CB 3.39Å; L96-A100 PolarHBondContact O-N 3.48Å; L96-I120 HydrophobicContact CD2-CG2 4.1Å; L96-R182 HydrophobicContact CD1-CB 3.84Å; L96-N209 HydrophobicContact CB-CB 4.09Å; L96-N209 HydrophobicContact CD2-CB 4.27Å
97	E	93.6	Very high	93.5	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-55.5	-51.2	171.2	-178.9	-177	140.8	0	0	110.8	I61 R66 W92 D93 S99 A100 T101	I61-E97 HydrophobicContact CG2-CG 4.34Å; R66-E97 IonicContact CZ-OE2 3.7Å; R66-E97 IonicContact NH1-OE2 3.9Å; R66-E97 PolarHBondContact NH1-OE2 2.85Å; W92-E97 HydrophobicContact CZ2-CB 4.23Å; W92-E97 HydrophobicContact CZ2-CG 4.16Å; W92-E97 PolarHBondContact NE1-OE2 3.31Å; D93-E97 PolarHBondContact O-N 3.22Å; E97-S99 VanDerWaalsContact C-N 3.35Å; E97-S99 PolarHBondContact O-N 3.09Å; E97-A100 PolarHBondContact O-N 2.92Å; E97-A100 VanDerWaalsContact O-N 3.16Å; E97-T101 PolarHBondContact O-N 2.85Å; E97-T101 PolarHBondContact O-OG1 3.4Å
98	R	85.7	Confident	93.3	Very high	139 Å²	139	48.7 Å²	48.7	53%	0.525	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-38.7	177.6	-76.4	-175.8	-68.1	-82.6	4.8	113.2	D94 E95 A100 T101 H102	D94-R98 WeakPolarHBondContact O-CG 3.49Å; D94-R98 PolarHBondContact O-N 3.22Å; D94-R98 PolarHBondContact O-NE 3.25Å; D94-R98 PolarHBondContact O-NH1 2.9Å; D94-R98 PolarHBondContact O-NH2 2.04Å; E95-R98 PolarHBondContact O-N 3.29Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-T101 WeakPolarHBondContact O-CB 3.36Å; R98-T101 PolarHBondContact O-N 2.85Å; R98-H102 PolarHBondContact O-N 3.48Å
99	S	88	Confident	93.3	Very high	25 Å²	25	50.6 Å²	50.6	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-32.8	175.6	-171	0	0	0	0	112.4	E95 L96 E97 W103 L116 N209	E95-S99 PolarHBondContact O-N 2.04Å; L96-S99 PolarHBondContact O-N 2.92Å; E97-S99 VanDerWaalsContact C-N 3.35Å; E97-S99 PolarHBondContact O-N 3.09Å; S99-W103 PolarHBondContact O-N 2.05Å; S99-L116 VanDerWaalsContact OG-CD1 3.31Å; S99-L116 WeakPolarHBondContact OG-CD1 3.36Å; S99-N209 VanDerWaalsContact C-ND2 3.32Å
100	A	95.3	Very high	93.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-39.2	176.3	0	0	0	0	0	110.9	L96 E97 R98 W103 A104 A186 V207 N209	L96-A100 WeakPolarHBondContact O-CB 3.39Å; L96-A100 PolarHBondContact O-N 3.48Å; E97-A100 PolarHBondContact O-N 2.92Å; E97-A100 VanDerWaalsContact O-N 3.16Å; R98-A100 VanDerWaalsContact C-N 3.33Å; A100-W103 PolarHBondContact O-N 3.3Å; A100-A104 WeakPolarHBondContact O-CB 3.19Å; A100-A104 PolarHBondContact O-N 2.88Å; A100-A186 HydrophobicContact CB-CB 3.91Å; A100-V207 HydrophobicContact CB-CB 4.14Å; A100-V207 HydrophobicContact CB-CG1 3.91Å; A100-N209 VanDerWaalsContact CA-ND2 3.31Å; A100-N209 WeakPolarHBondContact CA-ND2 3.21Å; A100-N209 PolarHBondContact N-ND2 3.45Å
101	T	92.4	Very high	93	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-54.2	-55	174.2	-59.1	0	0	0	0	111.1	A60 E97 R98 W103 A104 E105 A186	A60-T101 HydrophobicContact CB-CG2 3.59Å; A60-T101 WeakPolarHBondContact CB-OG1 3.19Å; E97-T101 PolarHBondContact O-N 2.85Å; E97-T101 PolarHBondContact O-OG1 3.4Å; R98-T101 WeakPolarHBondContact O-CB 3.36Å; R98-T101 PolarHBondContact O-N 2.85Å; T101-W103 VanDerWaalsContact C-N 3.28Å; T101-W103 PolarHBondContact O-N 3.48Å; T101-A104 PolarHBondContact O-N 2.83Å; T101-A104 VanDerWaalsContact O-N 3.14Å; T101-E105 HydrophobicContact CG2-CG 4.43Å; T101-E105 WeakPolarHBondContact CG2-OE1 3.31Å; T101-E105 WeakPolarHBondContact O-CG 3.2Å; T101-E105 PolarHBondContact O-N 2.8Å; T101-A186 VanDerWaalsContact CA-CB 3.41Å; T101-A186 VanDerWaalsContact N-CB 3.25Å
102	H	89.8	Confident	92.7	Very high	115 Å²	115	54.5 Å²	54.5	53%	0.532	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-38.3	-177.3	-176.1	13.6	0	0	0	112.1	R98 E106	R98-H102 PolarHBondContact O-N 3.48Å; H102-E106 IonicContact CE1-OE1 3.82Å
103	W	94.9	Very high	92.3	Very high	31 Å²	31	55.3 Å²	55.3	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-72.8	-36.2	176.7	-167.7	-111.2	0	0	0	113.2	S99 A100 T101 E105 E106 D110 H111 G112 P113 Y205 V207	S99-W103 PolarHBondContact O-N 2.05Å; A100-W103 PolarHBondContact O-N 3.3Å; T101-W103 VanDerWaalsContact C-N 3.28Å; T101-W103 PolarHBondContact O-N 3.48Å; W103-E105 VanDerWaalsContact C-N 3.31Å; W103-E105 PolarHBondContact O-N 2.82Å; W103-E106 HydrophobicContact CE3-CG 4.41Å; W103-E106 PolarHBondContact O-N 2.84Å; W103-D110 WeakPolarHBondContact CZ2-O 3.37Å; W103-D110 PolarHBondContact NE1-O 3.04Å; W103-H111 VanDerWaalsContact CZ2-C 3.49Å; W103-G112 VanDerWaalsContact CD2-C 3.43Å; W103-G112 VanDerWaalsContact CE2-N 3.3Å; W103-P113 HydrophobicContact CE3-CB 4.37Å; W103-P113 HydrophobicContact CZ3-CB 4.31Å; W103-Y205 PolarHBondContact NE1-OH 2.84Å; W103-V207 HydrophobicContact CB-CG1 4.46Å
104	A	95.6	Very high	91.6	Very high	1 Å²	1	61 Å²	61	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-33	177.1	0	0	0	0	0	112.4	A100 T101 E106 C107 A186 H188 Y205 V207	A100-A104 WeakPolarHBondContact O-CB 3.19Å; A100-A104 PolarHBondContact O-N 2.88Å; T101-A104 PolarHBondContact O-N 2.83Å; T101-A104 VanDerWaalsContact O-N 3.14Å; A104-E106 VanDerWaalsContact C-N 3.31Å; A104-E106 PolarHBondContact O-N 2.85Å; A104-C107 PolarHBondContact O-N 3.49Å; A104-A186 HydrophobicContact CB-CB 4.47Å; A104-H188 HydrophobicContact CB-CB 3.66Å; A104-H188 WeakPolarHBondContact O-CB 3.41Å; A104-Y205 HydrophobicContact CB-CD1 4.3Å; A104-V207 HydrophobicContact CB-CB 4.37Å; A104-V207 HydrophobicContact CB-CG2 3.74Å
105	E	94.2	Very high	90.9	Very high	105 Å²	105	63.7 Å²	63.7	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-68.3	-23.4	176	-73.5	170.1	161.9	0	0	113.6	T101 W103 C107	T101-E105 HydrophobicContact CG2-CG 4.43Å; T101-E105 WeakPolarHBondContact CG2-OE1 3.31Å; T101-E105 WeakPolarHBondContact O-CG 3.2Å; T101-E105 PolarHBondContact O-N 2.8Å; W103-E105 VanDerWaalsContact C-N 3.31Å; W103-E105 PolarHBondContact O-N 2.82Å; E105-C107 VanDerWaalsContact C-N 3.27Å; E105-C107 PolarHBondContact O-N 2.95Å
106	E	94.6	Very high	90.5	Very high	89 Å²	89	60.5 Å²	60.5	42%	0.416	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.2	176.2	-68.3	-66.4	144.7	0	0	113.3	H102 W103 A104 Q108	H102-E106 IonicContact CE1-OE1 3.82Å; W103-E106 HydrophobicContact CE3-CG 4.41Å; W103-E106 PolarHBondContact O-N 2.84Å; A104-E106 VanDerWaalsContact C-N 3.31Å; A104-E106 PolarHBondContact O-N 2.85Å; E106-Q108 PolarHBondContact O-N 3.35Å; E106-Q108 VanDerWaalsContact O-N 3.17Å; E106-Q108 PolarHBondContact OE2-NE2 3.3Å
107	C	95.6	Very high	89.9	Confident	25 Å²	25	61 Å²	61	17%	0.169	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.4	176.7	-69.9	0	0	0	0	115.8	A104 E105 C190	A104-C107 PolarHBondContact O-N 3.49Å; E105-C107 VanDerWaalsContact C-N 3.27Å; E105-C107 PolarHBondContact O-N 2.95Å; C107-C190 WeakPolarHBondContact CA-SG 3.27Å; C107-C190 HydrophobicContact CB-CB 3.7Å; C107-C190 WeakPolarHBondContact CB-SG 3.34Å; C107-C190 WeakPolarHBondContact SG-CA 3.2Å; C107-C190 WeakPolarHBondContact SG-CB 3.45Å; C107-C190 CovalentContact SG-SG 2.04Å; C107-C190 PolarHBondContact SG-SG 3.23Å
108	Q	95.1	Very high	88.9	Confident	93 Å²	93	67.8 Å²	67.8	44%	0.435	33%	0.328	S	S	.	.			trans	-103	127.9	175.8	-71	164.8	55.4	0	0	109.7	E106 D110 Y205	E106-Q108 PolarHBondContact O-N 3.35Å; E106-Q108 VanDerWaalsContact O-N 3.17Å; E106-Q108 PolarHBondContact OE2-NE2 3.3Å; Q108-D110 PolarHBondContact O-N 2.63Å; Q108-Y205 PolarHBondContact O-OH 2.72Å
109	W	96.4	Very high	88.6	Confident	63 Å²	63	64.3 Å²	64.3	24%	0.239	33%	0.325	C	S	.	.	S	Bend	trans	-82.7	63.4	174.8	-173.1	-119.4	0	0	0	110.9	L124 V126 M193 N194 V195 W196 Y205	W109-L124 HydrophobicContact CH2-CB 3.97Å; W109-L124 HydrophobicContact CZ3-CB 3.75Å; W109-V126 HydrophobicContact CD2-CG1 3.92Å; W109-V126 HydrophobicContact CE3-CB 3.9Å; W109-V126 HydrophobicContact CE3-CG1 3.62Å; W109-V126 HydrophobicContact CH2-CB 4.27Å; W109-V126 HydrophobicContact CH2-CG1 3.7Å; W109-V126 HydrophobicContact CZ2-CG1 3.95Å; W109-V126 HydrophobicContact CZ3-CB 3.69Å; W109-V126 HydrophobicContact CZ3-CG1 3.5Å; W109-V126 VanDerWaalsContact CZ3-CG1 3.5Å; W109-M193 HydrophobicContact CB-CE 3.74Å; W109-M193 HydrophobicContact CD2-CE 4.35Å; W109-M193 HydrophobicContact CE3-CE 3.78Å; W109-M193 HydrophobicContact CG-CE 4.38Å; W109-N194 WeakPolarHBondContact CB-O 3.5Å; W109-V195 HydrophobicContact CB-CG2 4.45Å; W109-V195 HydrophobicContact CD2-CG1 4.31Å; W109-V195 HydrophobicContact CG-CG1 4.12Å; W109-V195 HydrophobicContact CG-CG2 4.44Å; W109-W196 HydrophobicContact CZ2-CH2 4.43Å; W109-W196 AromaticContact CZ2-CZ2 3.78Å; W109-W196 HydrophobicContact CZ2-CZ2 3.78Å; W109-W196 AromaticContact NE1-CD1 3.77Å; W109-W196 AromaticContact NE1-CE2 3.42Å; W109-W196 AromaticContact NE1-CZ2 3.8Å; W109-W196 AromaticContact NE1-NE1 3.25Å; W109-Y205 HydrophobicContact CE3-CD2 4.19Å; W109-Y205 AromaticContact CE3-CE2 3.7Å; W109-Y205 HydrophobicContact CE3-CE2 3.7Å; W109-Y205 HydrophobicContact CZ3-CD2 4.13Å; W109-Y205 AromaticContact CZ3-CE2 3.74Å; W109-Y205 HydrophobicContact CZ3-CE2 3.74Å
110	D	94.8	Very high	88.6	Confident	108 Å²	108	63.7 Å²	63.7	58%	0.578	32%	0.32	S	S	*	.	S	Bend	trans	-148.2	168.9	177	-156.7	-10.3	0	0	0	109.4	W103 Q108 L124 Y205	W103-D110 WeakPolarHBondContact CZ2-O 3.37Å; W103-D110 PolarHBondContact NE1-O 3.04Å; Q108-D110 PolarHBondContact O-N 2.63Å; D110-L124 VanDerWaalsContact O-CD1 3.25Å; D110-L124 WeakPolarHBondContact O-CD1 3.26Å; D110-Y205 PolarHBondContact O-OH 2.86Å
111	H	95.4	Very high	88.6	Confident	77 Å²	77	63.8 Å²	63.8	36%	0.356	32%	0.32	S	S	.	.			trans	-82.6	142.2	175.2	-76.3	-66	0	0	0	112.2	W103 L117 Q122 L124	W103-H111 VanDerWaalsContact CZ2-C 3.49Å; H111-L117 HydrophobicContact CB-CD1 3.67Å; H111-L117 HydrophobicContact CB-CD2 4.31Å; H111-Q122 VanDerWaalsContact CA-OE1 3.28Å; H111-Q122 PolarHBondContact CE1-O 3.25Å; H111-Q122 VanDerWaalsContact CE1-O 3.28Å; H111-Q122 PolarHBondContact ND1-OE1 2.04Å; H111-L124 WeakPolarHBondContact ND1-CD1 3.21Å
112	G	89.1	Confident	88.8	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.01	32%	0.316	C	S	.	.			trans	174.6	-175.8	175	0	0	0	0	0	116.9	W103 Q122	W103-G112 VanDerWaalsContact CD2-C 3.43Å; W103-G112 VanDerWaalsContact CE2-N 3.3Å; G112-Q122 PolarHBondContact O-NE2 3.32Å
113	P	88.9	Confident	89.2	Confident	39 Å²	39	57.8 Å²	57.8	25%	0.253	29%	0.291	S	S	.	.			cis	-71.3	148.5	-7.1	31.2	-36.1	0	0	0	112.1	W103 D115 L116 L117	W103-P113 HydrophobicContact CE3-CB 4.37Å; W103-P113 HydrophobicContact CZ3-CB 4.31Å; P113-D115 PolarHBondContact O-N 3.07Å; P113-D115 VanDerWaalsContact O-N 3.1Å; P113-L116 HydrophobicContact CG-CB 4.27Å; P113-L116 HydrophobicContact CG-CD1 3.72Å; P113-L116 HydrophobicContact CG-CG 3.92Å; P113-L116 PolarHBondContact O-N 2.92Å; P113-L117 PolarHBondContact O-N 3.42Å
114	Q	78.4	Confident	89.4	Confident	146 Å²	146	56.8 Å²	56.8	68%	0.682	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.2	-166.5	-173.5	65.1	8.9	0	0	114.9
115	D	75.2	Confident	89.5	Confident	119 Å²	119	57.1 Å²	57.1	64%	0.636	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-34.3	178.3	67.5	-48.3	0	0	0	112.6	P113	P113-D115 PolarHBondContact O-N 3.07Å; P113-D115 VanDerWaalsContact O-N 3.1Å
116	L	76.3	Confident	89.6	Confident	41 Å²	41	52.9 Å²	52.9	22%	0.215	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-75.2	-35.6	176.4	-64.1	-175.2	0	0	0	112.1	S99 P113 M118 S119 I120	S99-L116 VanDerWaalsContact OG-CD1 3.31Å; S99-L116 WeakPolarHBondContact OG-CD1 3.36Å; P113-L116 HydrophobicContact CG-CB 4.27Å; P113-L116 HydrophobicContact CG-CD1 3.72Å; P113-L116 HydrophobicContact CG-CG 3.92Å; P113-L116 PolarHBondContact O-N 2.92Å; L116-M118 PolarHBondContact O-N 2.76Å; L116-S119 WeakPolarHBondContact O-CA 3.17Å; L116-S119 PolarHBondContact O-N 2.79Å; L116-S119 PolarHBondContact O-OG 3.13Å; L116-I120 HydrophobicContact CB-CD1 4Å; L116-I120 HydrophobicContact CB-CG1 4.25Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3Å
117	L	78	Confident	89.5	Confident	26 Å²	26	49.5 Å²	49.5	14%	0.136	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-57.3	-18.8	-178.6	-64.2	-176.4	0	0	0	114.5	H111 P113 S119 Q122 K213	H111-L117 HydrophobicContact CB-CD1 3.67Å; H111-L117 HydrophobicContact CB-CD2 4.31Å; P113-L117 PolarHBondContact O-N 3.42Å; L117-S119 PolarHBondContact O-N 3.16Å; L117-Q122 HydrophobicContact CD2-CB 4.18Å; L117-K213 WeakPolarHBondContact O-CD 3.41Å; L117-K213 WeakPolarHBondContact O-CE 3.3Å; L117-K213 PolarHBondContact O-NZ 2.97Å
118	M	73.9	Confident	89.3	Confident	156 Å²	156	55.5 Å²	55.5	77%	0.768	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-70.5	-16.5	172.3	-163.1	62.9	64.3	0	0	113	L116	L116-M118 PolarHBondContact O-N 2.76Å
119	S	77.8	Confident	88.9	Confident	67 Å²	67	54.7 Å²	54.7	47%	0.469	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-24.5	-171	69.4	0	0	0	0	114.6	L116 L117	L116-S119 WeakPolarHBondContact O-CA 3.17Å; L116-S119 PolarHBondContact O-N 2.79Å; L116-S119 PolarHBondContact O-OG 3.13Å; L117-S119 PolarHBondContact O-N 3.16Å
120	I	89.8	Confident	88.5	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.062	32%	0.319	C	S	.	.			trans	-115.1	155.3	176.3	67.4	176.9	0	0	0	112	L96 L116 N209 Y210 K213	L96-I120 HydrophobicContact CD2-CG2 4.1Å; L116-I120 HydrophobicContact CB-CD1 4Å; L116-I120 HydrophobicContact CB-CG1 4.25Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3Å; I120-N209 HydrophobicContact CD1-CB 4.09Å; I120-Y210 CarbonylContact C-O 3.49Å; I120-Y210 WeakPolarHBondContact CA-O 3.26Å; I120-Y210 VanDerWaalsContact CB-O 3.31Å; I120-Y210 WeakPolarHBondContact CB-O 3.39Å; I120-K213 WeakPolarHBondContact O-CD 3.42Å; I120-K213 WeakPolarHBondContact O-CG 3.46Å; I120-K213 PolarHBondContact O-NZ 3.03Å
121	G	93.6	Very high	87.9	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	160.2	161.1	0	0	0	0	0	110.6	Q174 N209 Y210	G121-Q174 VanDerWaalsContact CA-OE1 3.28Å; G121-N209 WeakPolarHBondContact O-CA 3.28Å; G121-Y210 PolarHBondContact N-O 2.86Å; G121-Y210 PolarHBondContact O-N 3.44Å
122	Q	98	Very high	87.6	Confident	13 Å²	13	65.7 Å²	65.7	6%	0.061	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	131.3	176.1	-176.8	175.1	83	0	0	110.5	H111 G112 L117 L124 V207 C208 N209	H111-Q122 VanDerWaalsContact CA-OE1 3.28Å; H111-Q122 PolarHBondContact CE1-O 3.25Å; H111-Q122 VanDerWaalsContact CE1-O 3.28Å; H111-Q122 PolarHBondContact ND1-OE1 2.04Å; G112-Q122 PolarHBondContact O-NE2 3.32Å; L117-Q122 HydrophobicContact CD2-CB 4.18Å; Q122-L124 HydrophobicContact CG-CD2 3.85Å; Q122-L124 HydrophobicContact CG-CG 4.35Å; Q122-V207 HydrophobicContact CG-CG1 4.17Å; Q122-C208 CarbonylContact C-O 3.56Å; Q122-C208 VanDerWaalsContact CA-O 3.26Å; Q122-C208 WeakPolarHBondContact CA-O 3.5Å; Q122-N209 WeakPolarHBondContact CG-OD1 3.19Å; Q122-N209 PolarHBondContact NE2-OD1 3.06Å
123	N	98.6	Very high	87.6	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.8	167	-67.8	3.2	0	0	0	109.4	W141 H171 Q174 C208 Y210	N123-W141 HydrophobicContact CB-CD2 3.82Å; N123-W141 HydrophobicContact CB-CE3 3.87Å; N123-W141 HydrophobicContact CB-CH2 3.67Å; N123-W141 HydrophobicContact CB-CZ2 3.58Å; N123-W141 HydrophobicContact CB-CZ3 3.79Å; N123-H171 WeakPolarHBondContact ND2-CA 3.41Å; N123-H171 PolarHBondContact ND2-O 3.33Å; N123-Q174 WeakPolarHBondContact OD1-CB 3.46Å; N123-Q174 WeakPolarHBondContact OD1-CG 3.33Å; N123-C208 PolarHBondContact N-O 3.03Å; N123-C208 PolarHBondContact O-N 3.36Å; N123-Y210 HydrophobicContact CB-CE2 3.78Å
124	L	98.4	Very high	87.8	Confident	10 Å²	10	65.6 Å²	65.6	5%	0.052	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	-176.6	-59.9	-179.7	0	0	0	110.3	W109 D110 H111 Q122 W141 Y205 V207	W109-L124 HydrophobicContact CH2-CB 3.97Å; W109-L124 HydrophobicContact CZ3-CB 3.75Å; D110-L124 VanDerWaalsContact O-CD1 3.25Å; D110-L124 WeakPolarHBondContact O-CD1 3.26Å; H111-L124 WeakPolarHBondContact ND1-CD1 3.21Å; Q122-L124 HydrophobicContact CG-CD2 3.85Å; Q122-L124 HydrophobicContact CG-CG 4.35Å; L124-W141 PolarHBondContact O-NE1 3.14Å; L124-Y205 HydrophobicContact CB-CE2 4.29Å; L124-Y205 HydrophobicContact CD2-CE2 3.96Å; L124-Y205 WeakPolarHBondContact CD2-OH 3.2Å; L124-V207 HydrophobicContact CD2-CB 4.29Å; L124-V207 HydrophobicContact CD2-CG1 4.03Å; L124-V207 HydrophobicContact CD2-CG2 3.92Å
125	A	97.5	Very high	88.4	Confident	7 Å²	7	59 Å²	59	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140.2	171.2	0	0	0	0	0	110.5	H137 W141 L206	A125-H137 HydrophobicContact CB-CB 3.65Å; A125-H137 VanDerWaalsContact CB-CE1 3.49Å; A125-H137 WeakPolarHBondContact CB-CE1 3.46Å; A125-W141 HydrophobicContact CB-CZ2 3.73Å; A125-L206 HydrophobicContact CB-CB 4.38Å; A125-L206 PolarHBondContact N-O 3.33Å; A125-L206 PolarHBondContact O-N 3.33Å
126	V	96.1	Very high	89.4	Confident	16 Å²	16	57.5 Å²	57.5	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.4	178.8	64.5	0	0	0	0	110.2	W109 M193 V195 W200 A203 V204 Y205	W109-V126 HydrophobicContact CD2-CG1 3.92Å; W109-V126 HydrophobicContact CE3-CB 3.9Å; W109-V126 HydrophobicContact CE3-CG1 3.62Å; W109-V126 HydrophobicContact CH2-CB 4.27Å; W109-V126 HydrophobicContact CH2-CG1 3.7Å; W109-V126 HydrophobicContact CZ2-CG1 3.95Å; W109-V126 HydrophobicContact CZ3-CB 3.69Å; W109-V126 HydrophobicContact CZ3-CG1 3.5Å; W109-V126 VanDerWaalsContact CZ3-CG1 3.5Å; V126-M193 HydrophobicContact CG2-CE 4.2Å; V126-M193 HydrophobicContact CG2-SD 3.89Å; V126-V195 HydrophobicContact CG1-CG1 3.73Å; V126-V195 HydrophobicContact CG1-CG2 4.14Å; V126-V195 HydrophobicContact CG2-CG2 4.18Å; V126-W200 HydrophobicContact CB-CZ3 4.48Å; V126-W200 HydrophobicContact CG1-CE3 4.49Å; V126-W200 HydrophobicContact CG1-CH2 4.49Å; V126-W200 HydrophobicContact CG1-CZ3 3.85Å; V126-W200 HydrophobicContact CG2-CE3 4.11Å; V126-W200 HydrophobicContact CG2-CZ3 4.1Å; V126-A203 HydrophobicContact CG2-CB 3.95Å; V126-V204 WeakPolarHBondContact CA-O 3.42Å; V126-Y205 HydrophobicContact CB-CD2 4.43Å
127	H	93.5	Very high	90.4	Very high	19 Å²	19	56.6 Å²	56.6	9%	0.088	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.2	170.7	73.1	-76.7	0	0	0	111.8	R130 R132 H137 A203 V204	H127-R130 PolarHBondContact CD2-O 2.63Å; H127-R132 PolarHBondContact NE2-N 2.87Å; H127-H137 WeakPolarHBondContact CB-NE2 3.4Å; H127-H137 AromaticContact CG-NE2 3.21Å; H127-H137 AromaticContact ND1-NE2 3.12Å; H127-H137 PolarHBondContact ND1-NE2 2.85Å; H127-H137 VanDerWaalsContact ND1-NE2 3.12Å; H127-A203 CarbonylContact O-C 3.58Å; H127-V204 PolarHBondContact N-O 3.04Å; H127-V204 PolarHBondContact O-N 2.65Å
128	W	89.9	Confident	91.3	Very high	151 Å²	151	55.4 Å²	55.4	57%	0.572	27%	0.27	S	S	*	.			trans	-141.5	165.1	176	66.9	-68.8	0	0	0	110.8	R130 W200	W128-R130 PolarHBondContact O-N 2.87Å; W128-R130 VanDerWaalsContact O-N 3.13Å; W128-W200 HydrophobicContact CB-CE3 4.19Å; W128-W200 AromaticContact CD1-CD2 3.47Å; W128-W200 VanDerWaalsContact CD1-CD2 3.47Å; W128-W200 AromaticContact CD1-CE2 3.79Å; W128-W200 AromaticContact CD1-CE3 3.3Å; W128-W200 AromaticContact CD1-CH2 3.8Å; W128-W200 AromaticContact CD1-CZ2 3.95Å; W128-W200 AromaticContact CD1-CZ3 3.48Å; W128-W200 VanDerWaalsContact CD1-CZ3 3.48Å; W128-W200 HydrophobicContact CG-CD2 4.07Å; W128-W200 AromaticContact CG-CE3 3.95Å; W128-W200 HydrophobicContact CG-CE3 3.95Å; W128-W200 HydrophobicContact CG-CG 4.39Å; W128-W200 HydrophobicContact CG-CZ3 4.45Å; W128-W200 AromaticContact NE1-CD2 3.75Å; W128-W200 AromaticContact NE1-CE2 3.61Å; W128-W200 AromaticContact NE1-CZ2 3.75Å
129	G	87.8	Confident	92.5	Very high	75 Å²	75	51 Å²	51	77%	0.773	25%	0.247	S	C	*	.	S	Bend	trans	74	-98.3	179.1	0	0	0	0	0	113.8
130	R	86.6	Confident	93.4	Very high	219 Å²	219	49.6 Å²	49.6	83%	0.826	24%	0.239	S	C	*	.	S	Bend	trans	-81.6	120.5	-175.6	-69.2	-168.6	-176.1	-148.5	2.8	111.2	H127 W128 R132	H127-R130 PolarHBondContact CD2-O 2.63Å; W128-R130 PolarHBondContact O-N 2.87Å; W128-R130 VanDerWaalsContact O-N 3.13Å; R130-R132 PolarHBondContact O-N 2.85Å
131	Y	83.8	Confident	93.8	Very high	152 Å²	152	49.4 Å²	49.4	60%	0.596	24%	0.238	S	C	*	.			trans	-45.7	134	175.3	174.7	-97.4	0	0	0	113.4
132	R	87.9	Confident	94.1	Very high	108 Å²	108	50.8 Å²	50.8	41%	0.408	24%	0.243	S	C	.	.			trans	-123.5	140	166.1	-54.6	-61.8	178.9	131.2	2.7	108.1	H127 R130 F136	H127-R132 PolarHBondContact NE2-N 2.87Å; R130-R132 PolarHBondContact O-N 2.85Å; R132-F136 HydrophobicContact CB-CB 4.09Å; R132-F136 HydrophobicContact CB-CD1 3.64Å; R132-F136 HydrophobicContact CB-CE1 4.46Å; R132-F136 HydrophobicContact CB-CG 4.04Å; R132-F136 HydrophobicContact CG-CD1 3.68Å; R132-F136 HydrophobicContact CG-CE1 4.01Å; R132-F136 HydrophobicContact CG-CG 4.31Å; R132-F136 VanDerWaalsContact NH1-CE2 3.25Å
133	S	90.4	Very high	94.1	Very high	32 Å²	32	53.5 Å²	53.5	22%	0.224	26%	0.258	C	S	.	.			trans	-69.1	156.9	170.8	63.6	0	0	0	0	110.5	A135 F136	S133-A135 PolarHBondContact O-N 3.2Å; S133-F136 WeakPolarHBondContact O-CB 3.45Å; S133-F136 PolarHBondContact O-N 2.95Å; S133-F136 PolarHBondContact OG-N 2.98Å
134	P	92.1	Very high	94.1	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-34.2	174.3	-29.4	40.2	0	0	0	112.9	D65 I69 F136 H137 V138 V187 L206	D65-P134 HydrophobicContact CB-CG 4.07Å; I69-P134 HydrophobicContact CD1-CB 3.66Å; I69-P134 HydrophobicContact CG1-CB 3.96Å; P134-F136 VanDerWaalsContact C-N 3.32Å; P134-F136 PolarHBondContact O-N 2.89Å; P134-H137 WeakPolarHBondContact O-CB 3.36Å; P134-H137 PolarHBondContact O-N 2.96Å; P134-H137 VanDerWaalsContact O-N 3.12Å; P134-V138 PolarHBondContact O-N 3.06Å; P134-V138 VanDerWaalsContact O-N 3.17Å; P134-V187 HydrophobicContact CB-CG2 4.45Å; P134-V187 HydrophobicContact CG-CG2 3.77Å; P134-L206 HydrophobicContact CB-CD1 4.3Å; P134-L206 HydrophobicContact CB-CD2 4.34Å
135	A	91.4	Very high	94.1	Very high	7 Å²	7	56.2 Å²	56.2	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-29.1	174.1	0	0	0	0	0	114.3	E68 L72 S133 H137 V138 Q139	E68-A135 HydrophobicContact CB-CB 4.5Å; E68-A135 HydrophobicContact CG-CB 3.62Å; E68-A135 WeakPolarHBondContact OE2-CB 3.28Å; L72-A135 HydrophobicContact CD2-CB 3.8Å; L72-A135 VanDerWaalsContact CD2-O 3.28Å; L72-A135 WeakPolarHBondContact CD2-O 3.45Å; S133-A135 PolarHBondContact O-N 3.2Å; A135-H137 VanDerWaalsContact C-N 3.26Å; A135-H137 PolarHBondContact O-N 3.2Å; A135-V138 PolarHBondContact O-N 3Å; A135-Q139 PolarHBondContact O-N 2.97Å
136	F	95.1	Very high	94.1	Very high	87 Å²	87	63.3 Å²	63.3	38%	0.382	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-37.7	171.7	172.8	-90.8	0	0	0	111.5	R132 S133 P134 Q139 A140	R132-F136 HydrophobicContact CB-CB 4.09Å; R132-F136 HydrophobicContact CB-CD1 3.64Å; R132-F136 HydrophobicContact CB-CE1 4.46Å; R132-F136 HydrophobicContact CB-CG 4.04Å; R132-F136 HydrophobicContact CG-CD1 3.68Å; R132-F136 HydrophobicContact CG-CE1 4.01Å; R132-F136 HydrophobicContact CG-CG 4.31Å; R132-F136 VanDerWaalsContact NH1-CE2 3.25Å; S133-F136 WeakPolarHBondContact O-CB 3.45Å; S133-F136 PolarHBondContact O-N 2.95Å; S133-F136 PolarHBondContact OG-N 2.98Å; P134-F136 VanDerWaalsContact C-N 3.32Å; P134-F136 PolarHBondContact O-N 2.89Å; F136-Q139 PolarHBondContact O-N 2.84Å; F136-A140 WeakPolarHBondContact O-CB 3Å; F136-A140 PolarHBondContact O-N 3.49Å
137	H	97.4	Very high	94.1	Very high	23 Å²	23	64.4 Å²	64.4	11%	0.106	31%	0.309	C	S	.	.	H	α-helix	trans	-72.9	-37.9	176.7	-63.3	-62	0	0	0	112.6	A125 H127 P134 A135 Q139 A140 W141 L206	A125-H137 HydrophobicContact CB-CB 3.65Å; A125-H137 VanDerWaalsContact CB-CE1 3.49Å; A125-H137 WeakPolarHBondContact CB-CE1 3.46Å; H127-H137 WeakPolarHBondContact CB-NE2 3.4Å; H127-H137 AromaticContact CG-NE2 3.21Å; H127-H137 AromaticContact ND1-NE2 3.12Å; H127-H137 PolarHBondContact ND1-NE2 2.85Å; H127-H137 VanDerWaalsContact ND1-NE2 3.12Å; P134-H137 WeakPolarHBondContact O-CB 3.36Å; P134-H137 PolarHBondContact O-N 2.96Å; P134-H137 VanDerWaalsContact O-N 3.12Å; A135-H137 VanDerWaalsContact C-N 3.26Å; A135-H137 PolarHBondContact O-N 3.2Å; H137-Q139 VanDerWaalsContact C-N 3.29Å; H137-Q139 PolarHBondContact O-N 2.91Å; H137-A140 PolarHBondContact O-N 2.86Å; H137-W141 VanDerWaalsContact O-CG 3.32Å; H137-W141 PolarHBondContact O-N 3.22Å; H137-L206 HydrophobicContact CB-CD2 3.6Å
138	V	98.2	Very high	94.3	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-39.1	172.4	176.1	0	0	0	0	111.3	I69 L72 L76 P134 A135 W141 Y142 L175	I69-V138 HydrophobicContact CG1-CG2 4.17Å; I69-V138 HydrophobicContact CG2-CG2 4.23Å; L72-V138 HydrophobicContact CB-CG1 4.44Å; L72-V138 HydrophobicContact CD2-CB 3.91Å; L72-V138 HydrophobicContact CD2-CG1 3.83Å; L72-V138 HydrophobicContact CG-CG1 3.95Å; L76-V138 HydrophobicContact CD1-CG1 4.33Å; P134-V138 PolarHBondContact O-N 3.06Å; P134-V138 VanDerWaalsContact O-N 3.17Å; A135-V138 PolarHBondContact O-N 3Å; V138-W141 HydrophobicContact CB-CE3 4.43Å; V138-W141 HydrophobicContact CG2-CE3 4.12Å; V138-W141 HydrophobicContact CG2-CZ3 3.92Å; V138-Y142 PolarHBondContact O-N 3.13Å; V138-Y142 VanDerWaalsContact O-N 3.16Å; V138-L175 HydrophobicContact CG1-CD1 3.91Å; V138-L175 WeakPolarHBondContact O-CD1 3.42Å
139	Q	98.1	Very high	94.7	Very high	64 Å²	64	61.6 Å²	61.6	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-66.7	-44.5	172.2	-171.5	61.4	59.1	0	0	111.4	L72 A135 F136 H137 W141 Y142 D143	L72-Q139 HydrophobicContact CD2-CB 4.45Å; A135-Q139 PolarHBondContact O-N 2.97Å; F136-Q139 PolarHBondContact O-N 2.84Å; H137-Q139 VanDerWaalsContact C-N 3.29Å; H137-Q139 PolarHBondContact O-N 2.91Å; Q139-W141 VanDerWaalsContact C-N 3.3Å; Q139-W141 PolarHBondContact O-N 2.8Å; Q139-Y142 CarbonylContact O-C 3.55Å; Q139-Y142 WeakPolarHBondContact O-CA 3.01Å; Q139-Y142 WeakPolarHBondContact O-CB 3.44Å; Q139-Y142 PolarHBondContact O-N 3.18Å; Q139-D143 PolarHBondContact NE2-OD1 2.8Å; Q139-D143 PolarHBondContact O-N 3.1Å
140	A	97.8	Very high	95.1	Very high	37 Å²	37	58.7 Å²	58.7	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-35.2	178	0	0	0	0	0	113.3	F136 H137 D143	F136-A140 WeakPolarHBondContact O-CB 3Å; F136-A140 PolarHBondContact O-N 3.49Å; H137-A140 PolarHBondContact O-N 2.86Å; A140-D143 PolarHBondContact O-N 2.91Å
141	W	98.6	Very high	95.5	Very high	9 Å²	9	48.4 Å²	48.4	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-38.7	169.7	-68.5	-28.7	0	0	0	112.3	N123 L124 A125 H137 V138 Q139 E144 H171 Y172 L175 L206 C208	N123-W141 HydrophobicContact CB-CD2 3.82Å; N123-W141 HydrophobicContact CB-CE3 3.87Å; N123-W141 HydrophobicContact CB-CH2 3.67Å; N123-W141 HydrophobicContact CB-CZ2 3.58Å; N123-W141 HydrophobicContact CB-CZ3 3.79Å; L124-W141 PolarHBondContact O-NE1 3.14Å; A125-W141 HydrophobicContact CB-CZ2 3.73Å; H137-W141 VanDerWaalsContact O-CG 3.32Å; H137-W141 PolarHBondContact O-N 3.22Å; V138-W141 HydrophobicContact CB-CE3 4.43Å; V138-W141 HydrophobicContact CG2-CE3 4.12Å; V138-W141 HydrophobicContact CG2-CZ3 3.92Å; Q139-W141 VanDerWaalsContact C-N 3.3Å; Q139-W141 PolarHBondContact O-N 2.8Å; W141-E144 WeakPolarHBondContact O-CG 3.33Å; W141-H171 HydrophobicContact CB-CB 3.61Å; W141-H171 VanDerWaalsContact CD1-CB 3.43Å; W141-H171 AromaticContact CD1-CD2 3.96Å; W141-H171 AromaticContact CD1-CG 3.49Å; W141-H171 VanDerWaalsContact CD1-CG 3.49Å; W141-H171 AromaticContact CD1-ND1 3.83Å; W141-H171 HydrophobicContact CD2-CB 4.41Å; W141-H171 HydrophobicContact CG-CB 3.56Å; W141-H171 AromaticContact NE1-CD2 3.92Å; W141-H171 AromaticContact NE1-CG 3.93Å; W141-Y172 WeakPolarHBondContact O-CA 2.97Å; W141-Y172 VanDerWaalsContact O-CB 3.31Å; W141-Y172 WeakPolarHBondContact O-CB 3.44Å; W141-Y172 PolarHBondContact O-N 2.87Å; W141-L175 HydrophobicContact CB-CD1 4.34Å; W141-L206 HydrophobicContact CH2-CD2 3.67Å; W141-L206 HydrophobicContact CH2-CG 4.04Å; W141-L206 HydrophobicContact CZ2-CD2 4.1Å; W141-L206 HydrophobicContact CZ2-CG 4.45Å; W141-L206 HydrophobicContact CZ3-CD2 4.37Å; W141-C208 HydrophobicContact CH2-CB 3.66Å; W141-C208 VanDerWaalsContact CH2-SG 3.57Å; W141-C208 HydrophobicContact CZ3-CB 3.82Å
142	Y	98.6	Very high	96	Very high	30 Å²	30	44.6 Å²	44.6	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-71	-35.1	176.3	-174.6	-91.1	0	0	0	112.6	L76 V138 Q139 E144 V145 Y172 L175 V176	L76-Y142 HydrophobicContact CB-CD2 3.72Å; L76-Y142 HydrophobicContact CB-CE2 3.77Å; L76-Y142 HydrophobicContact CB-CG 4.38Å; L76-Y142 HydrophobicContact CD1-CD2 3.97Å; L76-Y142 HydrophobicContact CD1-CG 3.9Å; L76-Y142 HydrophobicContact CD2-CD1 3.8Å; L76-Y142 HydrophobicContact CD2-CD2 3.93Å; L76-Y142 HydrophobicContact CD2-CE1 3.93Å; L76-Y142 HydrophobicContact CD2-CE2 4.05Å; L76-Y142 HydrophobicContact CD2-CG 3.79Å; L76-Y142 HydrophobicContact CG-CD2 4.07Å; L76-Y142 HydrophobicContact CG-CE2 4.38Å; L76-Y142 HydrophobicContact CG-CG 4.23Å; V138-Y142 PolarHBondContact O-N 3.13Å; V138-Y142 VanDerWaalsContact O-N 3.16Å; Q139-Y142 CarbonylContact O-C 3.55Å; Q139-Y142 WeakPolarHBondContact O-CA 3.01Å; Q139-Y142 WeakPolarHBondContact O-CB 3.44Å; Q139-Y142 PolarHBondContact O-N 3.18Å; Y142-E144 PolarHBondContact O-N 2.93Å; Y142-V145 HydrophobicContact CD1-CG1 4.16Å; Y142-V145 HydrophobicContact CE1-CG1 3.93Å; Y142-V145 VanDerWaalsContact O-CB 3.25Å; Y142-V145 WeakPolarHBondContact O-CB 2.97Å; Y142-V145 VanDerWaalsContact O-CG1 3.23Å; Y142-V145 WeakPolarHBondContact O-CG1 3.43Å; Y142-V145 PolarHBondContact O-N 3.39Å; Y142-Y172 AromaticContact CD2-CD2 3.83Å; Y142-Y172 HydrophobicContact CD2-CD2 3.83Å; Y142-Y172 AromaticContact CD2-CE2 3.97Å; Y142-Y172 HydrophobicContact CD2-CE2 3.97Å; Y142-Y172 HydrophobicContact CE2-CD2 4.09Å; Y142-Y172 AromaticContact CE2-CE2 3.73Å; Y142-Y172 HydrophobicContact CE2-CE2 3.73Å; Y142-Y172 HydrophobicContact CG-CD2 4.33Å; Y142-L175 HydrophobicContact CD2-CD2 4.16Å; Y142-V176 HydrophobicContact CD2-CG1 4.17Å; Y142-V176 HydrophobicContact CE2-CG1 3.92Å
143	D	98.3	Very high	96	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-64.8	-8.8	-178.3	-66.4	-16.1	0	0	0	113.2	Q139 A140 V145 K146	Q139-D143 PolarHBondContact NE2-OD1 2.8Å; Q139-D143 PolarHBondContact O-N 3.1Å; A140-D143 PolarHBondContact O-N 2.91Å; D143-V145 PolarHBondContact O-N 2.88Å; D143-K146 WeakPolarHBondContact O-CD 3.25Å; D143-K146 WeakPolarHBondContact O-CE 3Å; D143-K146 VanDerWaalsContact O-CG 3.27Å; D143-K146 WeakPolarHBondContact O-CG 3.16Å; D143-K146 PolarHBondContact O-N 2.91Å
144	E	98.4	Very high	96.1	Very high	21 Å²	21	49.2 Å²	49.2	10%	0.098	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.7	164	-56.8	180	161.4	0	0	112.5	W141 Y142 K146 D147 Y148 M168 C169 T170 H171 Y172	W141-E144 WeakPolarHBondContact O-CG 3.33Å; Y142-E144 PolarHBondContact O-N 2.93Å; E144-K146 PolarHBondContact O-N 3.36Å; E144-K146 VanDerWaalsContact O-N 3.08Å; E144-D147 PolarHBondContact O-N 3.07Å; E144-Y148 PolarHBondContact O-N 2.85Å; E144-M168 WeakPolarHBondContact CG-O 3.36Å; E144-M168 WeakPolarHBondContact OE1-CB 3.06Å; E144-M168 VanDerWaalsContact OE1-CG 3.23Å; E144-M168 WeakPolarHBondContact OE1-CG 3.42Å; E144-C169 WeakPolarHBondContact OE2-CA 3.06Å; E144-T170 PolarHBondContact OE2-N 3.47Å; E144-H171 IonicContact OE1-CE1 3.03Å; E144-H171 IonicContact OE1-CG 2.71Å; E144-H171 IonicContact OE1-ND1 3.26Å; E144-H171 PolarHBondContact OE1-ND1 3.44Å; E144-H171 WeakPolarHBondContact OE2-CA 3.46Å; E144-H171 WeakPolarHBondContact OE2-CB 3.33Å; E144-H171 IonicContact OE2-CG 2.7Å; E144-H171 PolarHBondContact OE2-N 3.23Å; E144-H171 IonicContact OE2-ND1 2.67Å; E144-Y172 PolarHBondContact OE2-N 2.91Å
145	V	97.9	Very high	96	Very high	47 Å²	47	52.2 Å²	52.2	29%	0.285	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-54.3	-27.7	175.4	70.3	0	0	0	0	113.6	Y142 D143 D147 Y148 Y172	Y142-V145 HydrophobicContact CD1-CG1 4.16Å; Y142-V145 HydrophobicContact CE1-CG1 3.93Å; Y142-V145 VanDerWaalsContact O-CB 3.25Å; Y142-V145 WeakPolarHBondContact O-CB 2.97Å; Y142-V145 VanDerWaalsContact O-CG1 3.23Å; Y142-V145 WeakPolarHBondContact O-CG1 3.43Å; Y142-V145 PolarHBondContact O-N 3.39Å; D143-V145 PolarHBondContact O-N 2.88Å; V145-D147 PolarHBondContact O-N 2.93Å; V145-Y148 PolarHBondContact O-N 3.28Å; V145-Y172 HydrophobicContact CB-CD2 3.74Å; V145-Y172 HydrophobicContact CB-CE1 4.47Å; V145-Y172 HydrophobicContact CB-CE2 3.61Å; V145-Y172 HydrophobicContact CB-CG 4.24Å; V145-Y172 HydrophobicContact CG2-CD2 4.22Å; V145-Y172 HydrophobicContact CG2-CE1 4.2Å; V145-Y172 HydrophobicContact CG2-CE2 3.57Å
146	K	97.6	Very high	95.8	Very high	155 Å²	155	53.6 Å²	53.6	67%	0.674	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.3	-25.4	175.6	77	-162.8	172.1	-148.1	0	113	D143 E144	D143-K146 WeakPolarHBondContact O-CD 3.25Å; D143-K146 WeakPolarHBondContact O-CE 3Å; D143-K146 VanDerWaalsContact O-CG 3.27Å; D143-K146 WeakPolarHBondContact O-CG 3.16Å; D143-K146 PolarHBondContact O-N 2.91Å; E144-K146 PolarHBondContact O-N 3.36Å; E144-K146 VanDerWaalsContact O-N 3.08Å
147	D	97.2	Very high	94.9	Very high	40 Å²	40	56.1 Å²	56.1	21%	0.214	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-107.9	5.7	-175.4	-68.6	-44.6	0	0	0	111.6	E144 V145 S165 C169	E144-D147 PolarHBondContact O-N 3.07Å; V145-D147 PolarHBondContact O-N 2.93Å; D147-S165 PolarHBondContact O-N 2.79Å; D147-S165 PolarHBondContact O-OG 2.86Å; D147-S165 VanDerWaalsContact O-OG 3.13Å; D147-C169 PolarHBondContact O-SG 2.78Å; D147-C169 VanDerWaalsContact O-SG 3.34Å
148	Y	97.7	Very high	94.1	Very high	32 Å²	32	60.1 Å²	60.1	13%	0.125	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-118	131	-176.1	-179.5	-93.5	0	0	0	112.1	E144 V145 P151 R163 C169 Y172 T173 P221	E144-Y148 PolarHBondContact O-N 2.85Å; V145-Y148 PolarHBondContact O-N 3.28Å; Y148-P151 WeakPolarHBondContact OH-CD 3.49Å; Y148-R163 HydrophobicContact CD2-CB 4.28Å; Y148-R163 HydrophobicContact CE2-CB 3.97Å; Y148-C169 HydrophobicContact CD2-CB 4.01Å; Y148-Y172 HydrophobicContact CD1-CD1 4.05Å; Y148-Y172 AromaticContact CD1-CE1 3.44Å; Y148-Y172 HydrophobicContact CD1-CE1 3.44Å; Y148-Y172 VanDerWaalsContact CD1-CE1 3.44Å; Y148-Y172 AromaticContact CE1-CE1 3.87Å; Y148-Y172 HydrophobicContact CE1-CE1 3.87Å; Y148-Y172 HydrophobicContact CG-CD1 4Å; Y148-Y172 AromaticContact CG-CE1 3.88Å; Y148-Y172 HydrophobicContact CG-CE1 3.88Å; Y148-T173 HydrophobicContact CD2-CG2 3.92Å; Y148-T173 HydrophobicContact CE1-CG2 4.44Å; Y148-T173 HydrophobicContact CE2-CG2 3.46Å; Y148-T173 VanDerWaalsContact CE2-CG2 3.46Å; Y148-P221 VanDerWaalsContact OH-CD 3.23Å; Y148-P221 WeakPolarHBondContact OH-CD 3.33Å
149	T	97.4	Very high	93.5	Very high	78 Å²	78	68.2 Å²	68.2	48%	0.479	35%	0.347	S	S	.	.			trans	-106.3	124.5	173.2	-62.1	0	0	0	0	111	P151 R163	T149-P151 WeakPolarHBondContact O-CD 3.25Å; T149-R163 PolarHBondContact N-O 3.3Å; T149-R163 VanDerWaalsContact N-O 3.13Å; T149-R163 WeakPolarHBondContact O-CB 3.3Å; T149-R163 WeakPolarHBondContact O-CG 3.29Å
150	Y	97.4	Very high	92.9	Very high	15 Å²	15	66 Å²	66	6%	0.059	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-63.6	123.6	177.4	179.1	-88.2	0	0	0	111.9	P82 Y152 A220 Y222 H224	P82-Y150 VanDerWaalsContact CD-CB 3.46Å; P82-Y150 HydrophobicContact CG-CD1 3.52Å; P82-Y150 HydrophobicContact CG-CD2 4.06Å; P82-Y150 HydrophobicContact CG-CE1 4.12Å; P82-Y150 HydrophobicContact CG-CG 3.5Å; Y150-Y152 HydrophobicContact CD1-CD1 4.1Å; Y150-Y152 HydrophobicContact CD1-CD2 4.03Å; Y150-Y152 HydrophobicContact CD1-CE1 4.1Å; Y150-Y152 HydrophobicContact CD1-CE2 4.03Å; Y150-Y152 HydrophobicContact CD1-CG 4.07Å; Y150-Y152 AromaticContact CE1-CD1 4Å; Y150-Y152 HydrophobicContact CE1-CD1 4Å; Y150-Y152 HydrophobicContact CE1-CE1 4.27Å; Y150-Y152 HydrophobicContact CE1-CG 4.17Å; Y150-Y152 WeakPolarHBondContact O-CD2 3.43Å; Y150-A220 HydrophobicContact CE2-CB 4.39Å; Y150-Y222 HydrophobicContact CD2-CD2 4.24Å; Y150-Y222 HydrophobicContact CD2-CE1 4.4Å; Y150-Y222 AromaticContact CD2-CE2 3.53Å; Y150-Y222 HydrophobicContact CD2-CE2 3.53Å; Y150-Y222 AromaticContact CD2-CZ 3.62Å; Y150-Y222 AromaticContact CE2-CD2 3.57Å; Y150-Y222 HydrophobicContact CE2-CD2 3.57Å; Y150-Y222 AromaticContact CE2-CE2 3.29Å; Y150-Y222 HydrophobicContact CE2-CE2 3.29Å; Y150-Y222 HydrophobicContact CE2-CG 4.3Å; Y150-Y222 AromaticContact CE2-CZ 3.84Å; Y150-Y222 WeakPolarHBondContact CE2-O 3.14Å; Y150-Y222 PolarHBondContact OH-O 3.16Å; Y150-H224 HydrophobicContact CE1-CB 3.81Å; Y150-H224 PolarHBondContact OH-N 3.19Å
151	P	94.5	Very high	92.6	Very high	2 Å²	2	67 Å²	67	1%	0.013	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-79.3	121.3	175.9	30.6	-31.1	0	0	0	110.3	Y148 T149 C160 R163 A220	Y148-P151 WeakPolarHBondContact OH-CD 3.49Å; T149-P151 WeakPolarHBondContact O-CD 3.25Å; P151-C160 HydrophobicContact CB-CB 4.21Å; P151-C160 HydrophobicContact CG-CB 4.2Å; P151-R163 HydrophobicContact CB-CG 4Å; P151-R163 HydrophobicContact CG-CG 4.26Å; P151-A220 HydrophobicContact CG-CB 4.16Å
152	Y	93.8	Very high	92.1	Very high	72 Å²	72	73.4 Å²	73.4	28%	0.282	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-84	155.9	-179.7	-72.5	-91.5	0	0	0	112.1	P82 Y150 Q154 E155 H224	P82-Y152 HydrophobicContact CG-CE1 4.31Å; Y150-Y152 HydrophobicContact CD1-CD1 4.1Å; Y150-Y152 HydrophobicContact CD1-CD2 4.03Å; Y150-Y152 HydrophobicContact CD1-CE1 4.1Å; Y150-Y152 HydrophobicContact CD1-CE2 4.03Å; Y150-Y152 HydrophobicContact CD1-CG 4.07Å; Y150-Y152 AromaticContact CE1-CD1 4Å; Y150-Y152 HydrophobicContact CE1-CD1 4Å; Y150-Y152 HydrophobicContact CE1-CE1 4.27Å; Y150-Y152 HydrophobicContact CE1-CG 4.17Å; Y150-Y152 WeakPolarHBondContact O-CD2 3.43Å; Y152-Q154 VanDerWaalsContact C-N 3.27Å; Y152-Q154 VanDerWaalsContact CB-NE2 3.26Å; Y152-Q154 PolarHBondContact O-N 2.92Å; Y152-Q154 VanDerWaalsContact O-N 3.09Å; Y152-E155 PolarHBondContact N-OE1 3.03Å; Y152-E155 WeakPolarHBondContact O-CA 3.43Å; Y152-E155 WeakPolarHBondContact O-CB 3.27Å; Y152-E155 PolarHBondContact O-N 3.32Å; Y152-H224 AromaticContact CE1-ND1 3.82Å
153	P	88.1	Confident	91.7	Very high	89 Å²	89	74.9 Å²	74.9	58%	0.578	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-55.3	-33.4	-172.5	-29.2	36.6	0	0	0	115.6	E155 C156	P153-E155 PolarHBondContact O-N 2.81Å; P153-C156 PolarHBondContact O-N 3.17Å
154	Q	91.9	Very high	91.5	Very high	148 Å²	148	73.6 Å²	73.6	69%	0.692	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-67.7	-13.8	176.3	72.1	-77.7	-2.3	0	0	114.2	Y152	Y152-Q154 VanDerWaalsContact C-N 3.27Å; Y152-Q154 VanDerWaalsContact CB-NE2 3.26Å; Y152-Q154 PolarHBondContact O-N 2.92Å; Y152-Q154 VanDerWaalsContact O-N 3.09Å
155	E	90.1	Very high	91.4	Very high	71 Å²	71	77.2 Å²	77.2	33%	0.332	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-97.2	-11.1	177.6	-50.1	179.3	-74.9	0	0	111.7	Y152 P153 N157 P161 R163	Y152-E155 PolarHBondContact N-OE1 3.03Å; Y152-E155 WeakPolarHBondContact O-CA 3.43Å; Y152-E155 WeakPolarHBondContact O-CB 3.27Å; Y152-E155 PolarHBondContact O-N 3.32Å; P153-E155 PolarHBondContact O-N 2.81Å; E155-N157 PolarHBondContact O-N 2.66Å; E155-P161 VanDerWaalsContact O-CD 3.3Å; E155-P161 WeakPolarHBondContact O-CD 3.26Å; E155-R163 IonicContact OE1-CZ 3.34Å; E155-R163 IonicContact OE1-NH2 3.16Å; E155-R163 PolarHBondContact OE1-NH2 2.85Å; E155-R163 IonicContact OE2-CZ 3.09Å; E155-R163 IonicContact OE2-NH1 3.45Å; E155-R163 PolarHBondContact OE2-NH1 3.11Å; E155-R163 IonicContact OE2-NH2 2.69Å; E155-R163 PolarHBondContact OE2-NH2 2.94Å
156	C	86.8	Confident	91.2	Very high	35 Å²	35	76.2 Å²	76.2	24%	0.236	41%	0.405	C	S	.	.			trans	-98.3	77.8	-177	-59.7	0	0	0	0	111.6	P153 W159 C160	P153-C156 PolarHBondContact O-N 3.17Å; C156-W159 WeakPolarHBondContact CA-O 3.13Å; C156-C160 HydrophobicContact CB-CB 3.99Å; C156-C160 WeakPolarHBondContact CB-SG 3.38Å; C156-C160 WeakPolarHBondContact SG-CA 3.41Å; C156-C160 WeakPolarHBondContact SG-CB 3.37Å; C156-C160 CovalentContact SG-SG 2.04Å; C156-C160 PolarHBondContact SG-SG 2.76Å
157	N	77.3	Confident	90.8	Very high	141 Å²	141	74.9 Å²	74.9	75%	0.754	41%	0.412	S	S	*	.	S	Bend	trans	-148.5	112.8	-179.2	-177.5	12.9	0	0	0	112.6	E155 W159	E155-N157 PolarHBondContact O-N 2.66Å; N157-W159 PolarHBondContact N-O 3.44Å
158	P	81.2	Confident	90.7	Very high	106 Å²	106	76.9 Å²	76.9	69%	0.688	42%	0.421	S	S	*	.	S	Bend	cis	-76.2	-4.4	-8.7	32.3	-35.2	0	0	0	113.5
159	W	85.8	Confident	90.6	Very high	170 Å²	170	75.7 Å²	75.7	64%	0.644	42%	0.417	S	S	*	.	S	Bend	trans	-133.6	148.9	-178	-55.3	116.4	0	0	0	109.7	C156 N157	C156-W159 WeakPolarHBondContact CA-O 3.13Å; N157-W159 PolarHBondContact N-O 3.44Å
160	C	85.6	Confident	90.6	Very high	17 Å²	17	75 Å²	75	12%	0.115	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-64.2	136.3	165.2	-60.3	0	0	0	0	110.6	P151 C156 G218	P151-C160 HydrophobicContact CB-CB 4.21Å; P151-C160 HydrophobicContact CG-CB 4.2Å; C156-C160 HydrophobicContact CB-CB 3.99Å; C156-C160 WeakPolarHBondContact CB-SG 3.38Å; C156-C160 WeakPolarHBondContact SG-CA 3.41Å; C156-C160 WeakPolarHBondContact SG-CB 3.37Å; C156-C160 CovalentContact SG-SG 2.04Å; C156-C160 PolarHBondContact SG-SG 2.76Å; C160-G218 WeakPolarHBondContact CB-O 3.47Å; C160-G218 PolarHBondContact N-O 3.4Å
161	P	89.9	Confident	90.6	Very high	59 Å²	59	75.6 Å²	75.6	38%	0.383	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-71.1	160.9	173	30.5	-36.2	0	0	0	111.4	E155	E155-P161 VanDerWaalsContact O-CD 3.3Å; E155-P161 WeakPolarHBondContact O-CD 3.26Å
162	D	87.9	Confident	90.8	Very high	144 Å²	144	75.5 Å²	75.5	77%	0.77	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-64.1	149.7	167.4	-167.5	3.7	0	0	0	110.8	C164	D162-C164 PolarHBondContact OD1-N 3.43Å
163	R	90.6	Very high	91	Very high	61 Å²	61	72.8 Å²	72.8	23%	0.23	41%	0.406	C	S	.	.			trans	-143	15.5	-168.8	-68.8	-67.5	171.7	158.5	-0.1	114.6	Y148 T149 P151 E155	Y148-R163 HydrophobicContact CD2-CB 4.28Å; Y148-R163 HydrophobicContact CE2-CB 3.97Å; T149-R163 PolarHBondContact N-O 3.3Å; T149-R163 VanDerWaalsContact N-O 3.13Å; T149-R163 WeakPolarHBondContact O-CB 3.3Å; T149-R163 WeakPolarHBondContact O-CG 3.29Å; P151-R163 HydrophobicContact CB-CG 4Å; P151-R163 HydrophobicContact CG-CG 4.26Å; E155-R163 IonicContact OE1-CZ 3.34Å; E155-R163 IonicContact OE1-NH2 3.16Å; E155-R163 PolarHBondContact OE1-NH2 2.85Å; E155-R163 IonicContact OE2-CZ 3.09Å; E155-R163 IonicContact OE2-NH1 3.45Å; E155-R163 PolarHBondContact OE2-NH1 3.11Å; E155-R163 IonicContact OE2-NH2 2.69Å; E155-R163 PolarHBondContact OE2-NH2 2.94Å
164	C	95.3	Very high	91.5	Very high	43 Å²	43	68.6 Å²	68.6	29%	0.291	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-86.5	125.3	170.5	-159.8	0	0	0	0	111.2	D162 G166 C169	D162-C164 PolarHBondContact OD1-N 3.43Å; C164-G166 PolarHBondContact SG-O 2.81Å; C164-C169 WeakPolarHBondContact CA-SG 3.25Å; C164-C169 HydrophobicContact CB-CB 3.69Å; C164-C169 WeakPolarHBondContact CB-SG 3.41Å; C164-C169 WeakPolarHBondContact SG-CB 3.31Å; C164-C169 PolarHBondContact SG-N 2.68Å; C164-C169 VanDerWaalsContact SG-N 3.36Å; C164-C169 CovalentContact SG-SG 2.04Å; C164-C169 PolarHBondContact SG-SG 3.41Å
165	S	96	Very high	91.8	Very high	96 Å²	96	61.6 Å²	61.6	67%	0.671	35%	0.346	S	S	*	.			trans	-100.4	-9.7	168.1	58.8	0	0	0	0	113.3	D147	D147-S165 PolarHBondContact O-N 2.79Å; D147-S165 PolarHBondContact O-OG 2.86Å; D147-S165 VanDerWaalsContact O-OG 3.13Å
166	G	92.7	Very high	92.2	Very high	26 Å²	26	58.2 Å²	58.2	27%	0.268	33%	0.331	S	S	.	.	S	Bend	trans	-99.8	-172.8	179.1	0	0	0	0	0	113.3	C164 M168	C164-G166 PolarHBondContact SG-O 2.81Å; G166-M168 VanDerWaalsContact C-N 3.31Å; G166-M168 PolarHBondContact O-N 2.68Å
167	P	90.3	Very high	92.8	Very high	128 Å²	128	57.2 Å²	57.2	83%	0.831	32%	0.322	S	S	*	.	S	Bend	trans	-75.2	-18.9	179.2	31.8	-35.9	0	0	0	113.5
168	M	93.8	Very high	93.8	Very high	82 Å²	82	50.6 Å²	50.6	40%	0.404	29%	0.287	S	S	.	.			trans	-160.2	138.7	179.1	-163.1	61.7	66.3	0	0	110.2	E144 G166 T170	E144-M168 WeakPolarHBondContact CG-O 3.36Å; E144-M168 WeakPolarHBondContact OE1-CB 3.06Å; E144-M168 VanDerWaalsContact OE1-CG 3.23Å; E144-M168 WeakPolarHBondContact OE1-CG 3.42Å; G166-M168 VanDerWaalsContact C-N 3.31Å; G166-M168 PolarHBondContact O-N 2.68Å; M168-T170 HydrophobicContact SD-CG2 4.42Å; M168-T170 PolarHBondContact SD-OG1 3.15Å
169	C	96.6	Very high	94.4	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.041	27%	0.271	C	S	.	.			trans	-138.4	0.1	172.5	-56	0	0	0	0	113.5	E144 D147 Y148 C164 T173	E144-C169 WeakPolarHBondContact OE2-CA 3.06Å; D147-C169 PolarHBondContact O-SG 2.78Å; D147-C169 VanDerWaalsContact O-SG 3.34Å; Y148-C169 HydrophobicContact CD2-CB 4.01Å; C164-C169 WeakPolarHBondContact CA-SG 3.25Å; C164-C169 HydrophobicContact CB-CB 3.69Å; C164-C169 WeakPolarHBondContact CB-SG 3.41Å; C164-C169 WeakPolarHBondContact SG-CB 3.31Å; C164-C169 PolarHBondContact SG-N 2.68Å; C164-C169 VanDerWaalsContact SG-N 3.36Å; C164-C169 CovalentContact SG-SG 2.04Å; C164-C169 PolarHBondContact SG-SG 3.41Å; C169-T173 PolarHBondContact O-N 3.03Å; C169-T173 VanDerWaalsContact O-N 3.15Å; C169-T173 PolarHBondContact O-OG1 2.88Å
170	T	95.9	Very high	95	Very high	64 Å²	64	40.2 Å²	40.2	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-78.9	-23.1	-170.5	54.9	0	0	0	0	112.6	E144 M168 T173 Q174 N215	E144-T170 PolarHBondContact OE2-N 3.47Å; M168-T170 HydrophobicContact SD-CG2 4.42Å; M168-T170 PolarHBondContact SD-OG1 3.15Å; T170-T173 WeakPolarHBondContact CA-OG1 3Å; T170-T173 PolarHBondContact O-OG1 2.03Å; T170-Q174 WeakPolarHBondContact O-CB 3.14Å; T170-Q174 PolarHBondContact O-N 3.11Å; T170-Q174 VanDerWaalsContact O-N 3.12Å; T170-N215 PolarHBondContact O-ND2 2.68Å
171	H	98.4	Very high	95.5	Very high	27 Å²	27	40.5 Å²	40.5	13%	0.125	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-42.1	175.1	-53.2	116	0	0	0	110.2	N123 W141 E144 L175	N123-H171 WeakPolarHBondContact ND2-CA 3.41Å; N123-H171 PolarHBondContact ND2-O 3.33Å; W141-H171 HydrophobicContact CB-CB 3.61Å; W141-H171 VanDerWaalsContact CD1-CB 3.43Å; W141-H171 AromaticContact CD1-CD2 3.96Å; W141-H171 AromaticContact CD1-CG 3.49Å; W141-H171 VanDerWaalsContact CD1-CG 3.49Å; W141-H171 AromaticContact CD1-ND1 3.83Å; W141-H171 HydrophobicContact CD2-CB 4.41Å; W141-H171 HydrophobicContact CG-CB 3.56Å; W141-H171 AromaticContact NE1-CD2 3.92Å; W141-H171 AromaticContact NE1-CG 3.93Å; E144-H171 IonicContact OE1-CE1 3.03Å; E144-H171 IonicContact OE1-CG 2.71Å; E144-H171 IonicContact OE1-ND1 3.26Å; E144-H171 PolarHBondContact OE1-ND1 3.44Å; E144-H171 WeakPolarHBondContact OE2-CA 3.46Å; E144-H171 WeakPolarHBondContact OE2-CB 3.33Å; E144-H171 IonicContact OE2-CG 2.7Å; E144-H171 PolarHBondContact OE2-N 3.23Å; E144-H171 IonicContact OE2-ND1 2.67Å; H171-L175 WeakPolarHBondContact O-CB 3.37Å; H171-L175 PolarHBondContact O-N 2.77Å
172	Y	98.6	Very high	95.8	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-57.4	-54.4	170.6	164	-102.5	0	0	0	110.9	W141 Y142 E144 V145 Y148 Q174 L175 V176	W141-Y172 WeakPolarHBondContact O-CA 2.97Å; W141-Y172 VanDerWaalsContact O-CB 3.31Å; W141-Y172 WeakPolarHBondContact O-CB 3.44Å; W141-Y172 PolarHBondContact O-N 2.87Å; Y142-Y172 AromaticContact CD2-CD2 3.83Å; Y142-Y172 HydrophobicContact CD2-CD2 3.83Å; Y142-Y172 AromaticContact CD2-CE2 3.97Å; Y142-Y172 HydrophobicContact CD2-CE2 3.97Å; Y142-Y172 HydrophobicContact CE2-CD2 4.09Å; Y142-Y172 AromaticContact CE2-CE2 3.73Å; Y142-Y172 HydrophobicContact CE2-CE2 3.73Å; Y142-Y172 HydrophobicContact CG-CD2 4.33Å; E144-Y172 PolarHBondContact OE2-N 2.91Å; V145-Y172 HydrophobicContact CB-CD2 3.74Å; V145-Y172 HydrophobicContact CB-CE1 4.47Å; V145-Y172 HydrophobicContact CB-CE2 3.61Å; V145-Y172 HydrophobicContact CB-CG 4.24Å; V145-Y172 HydrophobicContact CG2-CD2 4.22Å; V145-Y172 HydrophobicContact CG2-CE1 4.2Å; V145-Y172 HydrophobicContact CG2-CE2 3.57Å; Y148-Y172 HydrophobicContact CD1-CD1 4.05Å; Y148-Y172 AromaticContact CD1-CE1 3.44Å; Y148-Y172 HydrophobicContact CD1-CE1 3.44Å; Y148-Y172 VanDerWaalsContact CD1-CE1 3.44Å; Y148-Y172 AromaticContact CE1-CE1 3.87Å; Y148-Y172 HydrophobicContact CE1-CE1 3.87Å; Y148-Y172 HydrophobicContact CG-CD1 4Å; Y148-Y172 AromaticContact CG-CE1 3.88Å; Y148-Y172 HydrophobicContact CG-CE1 3.88Å; Y172-Q174 VanDerWaalsContact C-N 3.27Å; Y172-Q174 PolarHBondContact O-N 3.01Å; Y172-L175 WeakPolarHBondContact O-CB 3.22Å; Y172-L175 PolarHBondContact O-N 3.07Å; Y172-V176 HydrophobicContact CD1-CG2 4.35Å; Y172-V176 HydrophobicContact CD2-CG1 4Å; Y172-V176 HydrophobicContact CD2-CG2 4.33Å; Y172-V176 HydrophobicContact CE1-CG2 3.87Å; Y172-V176 HydrophobicContact CE2-CB 4.38Å; Y172-V176 HydrophobicContact CE2-CG1 3.58Å; Y172-V176 HydrophobicContact CE2-CG2 3.87Å; Y172-V176 WeakPolarHBondContact O-CG2 3.48Å; Y172-V176 PolarHBondContact O-N 2.73Å
173	T	98.2	Very high	96.3	Very high	14 Å²	14	36 Å²	36	9%	0.086	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-32.4	-175.5	55.7	0	0	0	0	112.8	Y148 C169 T170 V176 W177 N215 P221	Y148-T173 HydrophobicContact CD2-CG2 3.92Å; Y148-T173 HydrophobicContact CE1-CG2 4.44Å; Y148-T173 HydrophobicContact CE2-CG2 3.46Å; Y148-T173 VanDerWaalsContact CE2-CG2 3.46Å; C169-T173 PolarHBondContact O-N 3.03Å; C169-T173 VanDerWaalsContact O-N 3.15Å; C169-T173 PolarHBondContact O-OG1 2.88Å; T170-T173 WeakPolarHBondContact CA-OG1 3Å; T170-T173 PolarHBondContact O-OG1 2.03Å; T173-V176 CarbonylContact O-C 3.55Å; T173-W177 WeakPolarHBondContact O-CA 3.35Å; T173-W177 WeakPolarHBondContact O-CB 3.29Å; T173-W177 PolarHBondContact O-N 3.1Å; T173-N215 WeakPolarHBondContact CB-OD1 3.31Å; T173-N215 PolarHBondContact OG1-OD1 2.87Å; T173-P221 HydrophobicContact CG2-CB 4.5Å; T173-P221 HydrophobicContact CG2-CG 4.39Å
174	Q	98.5	Very high	96.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-71.1	-41.1	172.9	179.6	56.4	92.3	0	0	112.1	G121 N123 T170 Y172 V176 W177 T180 Y210 G214 N215	G121-Q174 VanDerWaalsContact CA-OE1 3.28Å; N123-Q174 WeakPolarHBondContact OD1-CB 3.46Å; N123-Q174 WeakPolarHBondContact OD1-CG 3.33Å; T170-Q174 WeakPolarHBondContact O-CB 3.14Å; T170-Q174 PolarHBondContact O-N 3.11Å; T170-Q174 VanDerWaalsContact O-N 3.12Å; Y172-Q174 VanDerWaalsContact C-N 3.27Å; Y172-Q174 PolarHBondContact O-N 3.01Å; Q174-V176 VanDerWaalsContact C-N 3.31Å; Q174-V176 PolarHBondContact O-N 3.08Å; Q174-W177 WeakPolarHBondContact O-CB 3.18Å; Q174-W177 PolarHBondContact O-N 2.99Å; Q174-T180 PolarHBondContact NE2-OG1 2.93Å; Q174-Y210 HydrophobicContact CG-CD1 4.38Å; Q174-Y210 HydrophobicContact CG-CD2 3.61Å; Q174-Y210 HydrophobicContact CG-CE2 3.98Å; Q174-Y210 HydrophobicContact CG-CG 3.83Å; Q174-G214 VanDerWaalsContact OE1-CA 3.32Å; Q174-N215 PolarHBondContact N-OD1 2.94Å; Q174-N215 VanDerWaalsContact N-OD1 3.13Å
175	L	98.6	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-43.7	176.9	-170.1	167.5	0	0	0	110.6	L76 R77 V138 W141 Y142 H171 Y172	L76-L175 HydrophobicContact CB-CD2 3.98Å; L76-L175 HydrophobicContact CD1-CD1 4.25Å; L76-L175 HydrophobicContact CD1-CD2 4.3Å; R77-L175 WeakPolarHBondContact CD-O 3.45Å; R77-L175 HydrophobicContact CG-CD2 4.33Å; R77-L175 VanDerWaalsContact CG-O 3.32Å; R77-L175 WeakPolarHBondContact CG-O 3.48Å; R77-L175 PolarHBondContact NH1-O 3.21Å; V138-L175 HydrophobicContact CG1-CD1 3.91Å; V138-L175 WeakPolarHBondContact O-CD1 3.42Å; W141-L175 HydrophobicContact CB-CD1 4.34Å; Y142-L175 HydrophobicContact CD2-CD2 4.16Å; H171-L175 WeakPolarHBondContact O-CB 3.37Å; H171-L175 PolarHBondContact O-N 2.77Å; Y172-L175 WeakPolarHBondContact O-CB 3.22Å; Y172-L175 PolarHBondContact O-N 3.07Å
176	V	98.7	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	14.4	178.8	-51.5	0	0	0	0	114.6	V80 M87 Y142 Y172 T173 Q174 A178 P221 Y222	V80-V176 HydrophobicContact CG1-CB 3.95Å; V80-V176 HydrophobicContact CG1-CG1 3.59Å; M87-V176 HydrophobicContact CE-CB 4.26Å; M87-V176 VanDerWaalsContact CE-O 3.31Å; M87-V176 WeakPolarHBondContact CE-O 3.36Å; Y142-V176 HydrophobicContact CD2-CG1 4.17Å; Y142-V176 HydrophobicContact CE2-CG1 3.92Å; Y172-V176 HydrophobicContact CD1-CG2 4.35Å; Y172-V176 HydrophobicContact CD2-CG1 4Å; Y172-V176 HydrophobicContact CD2-CG2 4.33Å; Y172-V176 HydrophobicContact CE1-CG2 3.87Å; Y172-V176 HydrophobicContact CE2-CB 4.38Å; Y172-V176 HydrophobicContact CE2-CG1 3.58Å; Y172-V176 HydrophobicContact CE2-CG2 3.87Å; Y172-V176 WeakPolarHBondContact O-CG2 3.48Å; Y172-V176 PolarHBondContact O-N 2.73Å; T173-V176 CarbonylContact O-C 3.55Å; Q174-V176 VanDerWaalsContact C-N 3.31Å; Q174-V176 PolarHBondContact O-N 3.08Å; V176-A178 PolarHBondContact O-N 2.94Å; V176-P221 HydrophobicContact CG2-CB 4.19Å; V176-P221 HydrophobicContact CG2-CG 4.46Å; V176-Y222 HydrophobicContact CB-CD1 4.38Å; V176-Y222 HydrophobicContact CB-CE1 4.37Å; V176-Y222 HydrophobicContact CG2-CD1 4.07Å; V176-Y222 HydrophobicContact CG2-CE1 3.9Å
177	W	98.7	Very high	96.9	Very high	15 Å²	15	27.1 Å²	27.1	6%	0.057	15%	0.149	C	C	.	.			trans	-70.3	114.4	-178.6	-159.3	-88.6	0	0	0	111.4	R77 T173 Q174 T179 T180 G214 N215 W216 E219 P221	R77-W177 PolarHBondContact NH1-O 3.34Å; R77-W177 PolarHBondContact NH2-O 3.07Å; T173-W177 WeakPolarHBondContact O-CA 3.35Å; T173-W177 WeakPolarHBondContact O-CB 3.29Å; T173-W177 PolarHBondContact O-N 3.1Å; Q174-W177 WeakPolarHBondContact O-CB 3.18Å; Q174-W177 PolarHBondContact O-N 2.99Å; W177-T179 PolarHBondContact NE1-OG1 2.93Å; W177-T179 PolarHBondContact O-N 2.83Å; W177-T180 WeakPolarHBondContact O-CB 3.32Å; W177-T180 PolarHBondContact O-N 2.68Å; W177-G214 VanDerWaalsContact CG-CA 3.43Å; W177-N215 VanDerWaalsContact CZ3-CA 3.47Å; W177-W216 HydrophobicContact CH2-CB 4.17Å; W177-W216 HydrophobicContact CZ2-CB 4.03Å; W177-W216 AromaticContact CZ2-CD1 3.69Å; W177-W216 HydrophobicContact CZ2-CG 4.28Å; W177-E219 HydrophobicContact CH2-CB 3.9Å; W177-E219 HydrophobicContact CZ2-CB 4.14Å; W177-P221 CarbonylContact C-O 3.5Å; W177-P221 WeakPolarHBondContact CA-O 3.2Å; W177-P221 HydrophobicContact CD2-CB 4.46Å; W177-P221 VanDerWaalsContact CE3-CA 3.49Å; W177-P221 HydrophobicContact CE3-CB 3.72Å; W177-P221 HydrophobicContact CZ3-CB 3.97Å
178	A	97.9	Very high	97.1	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-50.7	-168	0	0	0	0	0	113.1	R77 N86 M87 E88 V176 T180 P221	R77-A178 PolarHBondContact NH2-O 3.3Å; N86-A178 WeakPolarHBondContact OD1-CB 3.46Å; M87-A178 HydrophobicContact SD-CB 4.49Å; E88-A178 VanDerWaalsContact CB-O 3.23Å; E88-A178 WeakPolarHBondContact CB-O 3.26Å; E88-A178 WeakPolarHBondContact CG-O 3.26Å; E88-A178 PolarHBondContact N-O 3.37Å; V176-A178 PolarHBondContact O-N 2.94Å; A178-T180 VanDerWaalsContact C-N 3.28Å; A178-T180 PolarHBondContact O-N 3.28Å; A178-P221 PolarHBondContact N-O 3.29Å
179	T	94.4	Very high	97.1	Very high	57 Å²	57	23.4 Å²	23.4	35%	0.35	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.4	-175.6	54.1	0	0	0	0	114.4	W177 S181 P212	W177-T179 PolarHBondContact NE1-OG1 2.93Å; W177-T179 PolarHBondContact O-N 2.83Å; T179-S181 PolarHBondContact O-N 2.72Å; T179-P212 VanDerWaalsContact O-CD 3.3Å; T179-P212 WeakPolarHBondContact O-CD 3.38Å
180	T	97.7	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.			trans	-83.6	94.6	174.2	-61.4	0	0	0	0	109.8	R77 M90 Q174 W177 A178 Y210 P212	R77-T180 PolarHBondContact NH2-O 3.15Å; R77-T180 VanDerWaalsContact NH2-O 3.14Å; M90-T180 HydrophobicContact CE-CG2 3.97Å; M90-T180 VanDerWaalsContact CE-O 3.28Å; M90-T180 WeakPolarHBondContact CE-O 3.47Å; Q174-T180 PolarHBondContact NE2-OG1 2.93Å; W177-T180 WeakPolarHBondContact O-CB 3.32Å; W177-T180 PolarHBondContact O-N 2.68Å; A178-T180 VanDerWaalsContact C-N 3.28Å; A178-T180 PolarHBondContact O-N 3.28Å; T180-Y210 HydrophobicContact CG2-CD1 3.91Å; T180-Y210 HydrophobicContact CG2-CG 4.26Å; T180-P212 WeakPolarHBondContact CG2-O 3.49Å; T180-P212 PolarHBondContact OG1-O 3.41Å
181	S	95.8	Very high	96.9	Very high	24 Å²	24	24.1 Å²	24.1	17%	0.168	13%	0.13	C	C	.	.			trans	-98.8	5.9	180	37.6	0	0	0	0	115.1	E88 Y89 M90 V91 T179 S211	E88-S181 WeakPolarHBondContact OE2-CB 3.42Å; E88-S181 PolarHBondContact OE2-OG 3.01Å; Y89-S181 WeakPolarHBondContact O-CB 3.21Å; M90-S181 WeakPolarHBondContact CA-O 3.33Å; V91-S181 PolarHBondContact N-O 3.36Å; T179-S181 PolarHBondContact O-N 2.72Å; S181-S211 PolarHBondContact N-O 3.09Å
182	R	97.4	Very high	96.6	Very high	109 Å²	109	30.1 Å²	30.1	41%	0.411	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.5	176.4	-63.3	171.3	178.5	-85.5	-20.9	112.6	V91 D93 L96 Y210 S211	V91-R182 HydrophobicContact CG2-CG 4.08Å; V91-R182 WeakPolarHBondContact O-CA 3.21Å; D93-R182 HydrophobicContact CB-CB 4.11Å; D93-R182 HydrophobicContact CB-CG 4.44Å; D93-R182 WeakPolarHBondContact OD2-CD 3.34Å; D93-R182 IonicContact OD2-CZ 3.15Å; D93-R182 IonicContact OD2-NE 3.59Å; D93-R182 IonicContact OD2-NH1 2.68Å; D93-R182 PolarHBondContact OD2-NH1 3.05Å; L96-R182 HydrophobicContact CD1-CB 3.84Å; R182-Y210 WeakPolarHBondContact O-CA 3.48Å; R182-S211 VanDerWaalsContact CB-O 3.31Å; R182-S211 WeakPolarHBondContact CB-O 3.43Å; R182-S211 PolarHBondContact N-O 2.69Å; R182-S211 PolarHBondContact O-N 2.94Å
183	V	98.6	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.1	170.5	67.3	0	0	0	0	110.7	L70 M90 V91 W92 D93 C208 N209 Y210	L70-V183 HydrophobicContact CD1-CG1 3.86Å; M90-V183 HydrophobicContact CG-CB 4.19Å; M90-V183 HydrophobicContact CG-CG1 3.85Å; M90-V183 HydrophobicContact SD-CB 3.64Å; M90-V183 HydrophobicContact SD-CG1 3.55Å; M90-V183 VanDerWaalsContact SD-CG1 3.55Å; V91-V183 PolarHBondContact O-N 2.79Å; V91-V183 VanDerWaalsContact O-N 3.09Å; W92-V183 CarbonylContact C-O 3.6Å; W92-V183 VanDerWaalsContact CA-O 3.28Å; W92-V183 WeakPolarHBondContact CA-O 3.5Å; W92-V183 HydrophobicContact CE3-CG1 4.2Å; D93-V183 PolarHBondContact N-O 2.77Å; V183-C208 HydrophobicContact CG2-CB 4.41Å; V183-N209 CarbonylContact C-O 3.56Å; V183-N209 VanDerWaalsContact CA-O 3.31Å; V183-N209 WeakPolarHBondContact CA-O 3.42Å; V183-Y210 HydrophobicContact CB-CD1 4.07Å; V183-Y210 HydrophobicContact CB-CE1 4.07Å; V183-Y210 HydrophobicContact CG2-CD1 3.81Å; V183-Y210 HydrophobicContact CG2-CE1 3.49Å; V183-Y210 VanDerWaalsContact CG2-CE1 3.49Å
184	G	97.7	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	133.6	164.9	0	0	0	0	0	110.1	N209	G184-N209 PolarHBondContact N-O 2.94Å; G184-N209 PolarHBondContact O-N 3.48Å
185	C	98.3	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.4	-171.5	-45.2	0	0	0	0	112.6	I61 I69 W92 L206 V207 C208	I61-C185 WeakPolarHBondContact CG2-O 3.33Å; I69-C185 HydrophobicContact CD1-CB 4.09Å; W92-C185 HydrophobicContact CH2-CB 3.76Å; W92-C185 VanDerWaalsContact CH2-N 3.3Å; W92-C185 HydrophobicContact CZ2-CB 4.45Å; W92-C185 HydrophobicContact CZ3-CB 4.47Å; C185-L206 HydrophobicContact CB-CD1 4.02Å; C185-V207 CarbonylContact C-O 3.6Å; C185-V207 WeakPolarHBondContact CA-O 3.35Å; C185-V207 VanDerWaalsContact CB-O 3.26Å; C185-V207 WeakPolarHBondContact CB-O 3.03Å; C185-C208 HydrophobicContact CB-CB 4Å; C185-C208 WeakPolarHBondContact CB-SG 3.29Å; C185-C208 VanDerWaalsContact SG-CA 3.52Å; C185-C208 WeakPolarHBondContact SG-CB 3.16Å; C185-C208 CovalentContact SG-SG 2.03Å; C185-C208 PolarHBondContact SG-SG 2.85Å
186	A	96.6	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.6	174.1	0	0	0	0	0	111	A60 A100 T101 A104 L206 V207	A60-A186 HydrophobicContact CB-CB 3.8Å; A100-A186 HydrophobicContact CB-CB 3.91Å; T101-A186 VanDerWaalsContact CA-CB 3.41Å; T101-A186 VanDerWaalsContact N-CB 3.25Å; A104-A186 HydrophobicContact CB-CB 4.47Å; A186-L206 WeakPolarHBondContact O-CA 3.4Å; A186-V207 PolarHBondContact N-O 2.85Å; A186-V207 PolarHBondContact O-N 3.14Å
187	V	94.4	Very high	95.1	Very high	39 Å²	39	46 Å²	46	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.4	174.5	-178.6	0	0	0	0	108.5	A60 I61 P134 V204 Y205 L206	A60-V187 PolarHBondContact O-N 3.42Å; A60-V187 VanDerWaalsContact O-O 3.09Å; I61-V187 HydrophobicContact CD1-CG2 4.38Å; P134-V187 HydrophobicContact CB-CG2 4.45Å; P134-V187 HydrophobicContact CG-CG2 3.77Å; V187-V204 HydrophobicContact CG1-CG1 3.7Å; V187-Y205 CarbonylContact C-O 3.59Å; V187-Y205 WeakPolarHBondContact CA-O 3.5Å; V187-L206 HydrophobicContact CG2-CD1 3.91Å
188	H	94.4	Very high	94.7	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.6	173.5	-163.2	87.6	0	0	0	110.5	A104 V204 Y205	A104-H188 HydrophobicContact CB-CB 3.66Å; A104-H188 WeakPolarHBondContact O-CB 3.41Å; H188-V204 WeakPolarHBondContact O-CA 3.42Å; H188-Y205 PolarHBondContact N-O 3.21Å; H188-Y205 PolarHBondContact O-N 3.44Å
189	V	93.5	Very high	94.5	Very high	78 Å²	78	54.5 Å²	54.5	47%	0.473	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	94.7	176.2	-174.4	0	0	0	0	108.1	P191 N202 A203 V204	V189-P191 WeakPolarHBondContact O-CD 3.36Å; V189-N202 HydrophobicContact CG1-CB 4.32Å; V189-A203 CarbonylContact C-O 3.53Å; V189-V204 HydrophobicContact CG2-CG2 4.3Å
190	C	94.6	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.2	-177.1	-69.6	0	0	0	0	110.9	C107 R192 M193 N202 A203	C107-C190 WeakPolarHBondContact CA-SG 3.27Å; C107-C190 HydrophobicContact CB-CB 3.7Å; C107-C190 WeakPolarHBondContact CB-SG 3.34Å; C107-C190 WeakPolarHBondContact SG-CA 3.2Å; C107-C190 WeakPolarHBondContact SG-CB 3.45Å; C107-C190 CovalentContact SG-SG 2.04Å; C107-C190 PolarHBondContact SG-SG 3.23Å; C190-R192 VanDerWaalsContact C-N 3.25Å; C190-R192 PolarHBondContact O-N 3.05Å; C190-M193 HydrophobicContact CB-CB 3.89Å; C190-M193 HydrophobicContact CB-CG 4.48Å; C190-M193 HydrophobicContact CB-SD 4.04Å; C190-N202 CarbonylContact O-C 3.43Å; C190-N202 WeakPolarHBondContact O-CA 3.33Å; C190-N202 PolarHBondContact O-N 2.81Å; C190-A203 HydrophobicContact CB-CB 4.47Å; C190-A203 PolarHBondContact N-O 3.48Å; C190-A203 PolarHBondContact O-N 3.37Å
191	P	93.2	Very high	94.2	Very high	86 Å²	86	58.4 Å²	58.4	56%	0.558	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	-38.5	-177	-25.7	35.6	0	0	0	112.4	V189 E201 N202	V189-P191 WeakPolarHBondContact O-CD 3.36Å; P191-E201 VanDerWaalsContact O-CA 3.31Å; P191-E201 WeakPolarHBondContact O-CA 3.49Å; P191-N202 PolarHBondContact O-N 2.82Å
192	R	93.4	Very high	93.9	Very high	152 Å²	152	62.1 Å²	62.1	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.4	168.8	-68.5	177	61.8	90	-3.3	108.6	C190 T199 W200 E201	C190-R192 VanDerWaalsContact C-N 3.25Å; C190-R192 PolarHBondContact O-N 3.05Å; R192-T199 HydrophobicContact CB-CG2 4.04Å; R192-T199 HydrophobicContact CG-CG2 4.43Å; R192-W200 WeakPolarHBondContact CA-O 3.31Å; R192-E201 HydrophobicContact CG-CG 4.35Å; R192-E201 IonicContact CZ-OE1 2.69Å; R192-E201 IonicContact NH1-OE1 2.93Å; R192-E201 PolarHBondContact NH1-OE1 3.44Å
193	M	94.4	Very high	93.7	Very high	2 Å²	2	57 Å²	57	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.9	-179	-175.8	168.1	178.9	0	0	109.3	W109 V126 C190 V195 T199 W200 A203 Y205	W109-M193 HydrophobicContact CB-CE 3.74Å; W109-M193 HydrophobicContact CD2-CE 4.35Å; W109-M193 HydrophobicContact CE3-CE 3.78Å; W109-M193 HydrophobicContact CG-CE 4.38Å; V126-M193 HydrophobicContact CG2-CE 4.2Å; V126-M193 HydrophobicContact CG2-SD 3.89Å; C190-M193 HydrophobicContact CB-CB 3.89Å; C190-M193 HydrophobicContact CB-CG 4.48Å; C190-M193 HydrophobicContact CB-SD 4.04Å; M193-V195 HydrophobicContact CB-CG2 4.43Å; M193-V195 HydrophobicContact CG-CG2 3.88Å; M193-V195 HydrophobicContact SD-CG2 4.36Å; M193-T199 CarbonylContact O-C 3.59Å; M193-T199 WeakPolarHBondContact O-CA 3.45Å; M193-W200 PolarHBondContact N-O 2.62Å; M193-W200 PolarHBondContact O-N 3.46Å; M193-A203 HydrophobicContact CB-CB 3.95Å; M193-A203 HydrophobicContact SD-CB 4.11Å; M193-Y205 HydrophobicContact CE-CD1 3.78Å; M193-Y205 HydrophobicContact CE-CD2 3.78Å; M193-Y205 HydrophobicContact CE-CE1 3.94Å; M193-Y205 HydrophobicContact CE-CE2 3.94Å; M193-Y205 HydrophobicContact CE-CG 3.7Å; M193-Y205 HydrophobicContact SD-CD1 4.33Å; M193-Y205 HydrophobicContact SD-CG 4.18Å
194	N	94.4	Very high	93.5	Very high	91 Å²	91	58.6 Å²	58.6	49%	0.487	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.5	172.1	-170.1	-43.9	0	0	0	108.9	W109 G197 E198	W109-N194 WeakPolarHBondContact CB-O 3.5Å; N194-G197 WeakPolarHBondContact OD1-CA 3.32Å; N194-G197 PolarHBondContact OD1-N 2.95Å; N194-E198 CarbonylContact C-O 3.53Å; N194-E198 VanDerWaalsContact CA-O 3.32Å; N194-E198 WeakPolarHBondContact CA-O 3.13Å
195	V	92.6	Very high	93.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.2	179.7	-173.1	0	0	0	0	107.5	W109 V126 M193 G197 E198 W200	W109-V195 HydrophobicContact CB-CG2 4.45Å; W109-V195 HydrophobicContact CD2-CG1 4.31Å; W109-V195 HydrophobicContact CG-CG1 4.12Å; W109-V195 HydrophobicContact CG-CG2 4.44Å; V126-V195 HydrophobicContact CG1-CG1 3.73Å; V126-V195 HydrophobicContact CG1-CG2 4.14Å; V126-V195 HydrophobicContact CG2-CG2 4.18Å; M193-V195 HydrophobicContact CB-CG2 4.43Å; M193-V195 HydrophobicContact CG-CG2 3.88Å; M193-V195 HydrophobicContact SD-CG2 4.36Å; V195-G197 PolarHBondContact O-N 3.4Å; V195-E198 PolarHBondContact N-O 3.03Å; V195-E198 PolarHBondContact O-N 3.06Å; V195-W200 HydrophobicContact CB-CD2 3.9Å; V195-W200 HydrophobicContact CB-CE3 4.13Å; V195-W200 HydrophobicContact CB-CG 4.33Å; V195-W200 HydrophobicContact CB-CZ2 4.31Å; V195-W200 HydrophobicContact CB-CZ3 4.44Å; V195-W200 HydrophobicContact CG1-CD2 4.35Å; V195-W200 HydrophobicContact CG1-CE3 4.25Å; V195-W200 HydrophobicContact CG1-CH2 3.94Å; V195-W200 HydrophobicContact CG1-CZ2 4.01Å; V195-W200 HydrophobicContact CG1-CZ3 4.06Å; V195-W200 HydrophobicContact CG2-CD2 3.9Å; V195-W200 HydrophobicContact CG2-CE3 3.82Å; V195-W200 HydrophobicContact CG2-CG 4.23Å; V195-W200 HydrophobicContact CG2-CZ3 4.36Å
196	W	88.9	Confident	93.4	Very high	196 Å²	196	58.7 Å²	58.7	74%	0.742	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	25.7	-177.8	-54.1	-58.1	0	0	0	115.9	W109 W200	W109-W196 HydrophobicContact CZ2-CH2 4.43Å; W109-W196 AromaticContact CZ2-CZ2 3.78Å; W109-W196 HydrophobicContact CZ2-CZ2 3.78Å; W109-W196 AromaticContact NE1-CD1 3.77Å; W109-W196 AromaticContact NE1-CE2 3.42Å; W109-W196 AromaticContact NE1-CZ2 3.8Å; W109-W196 AromaticContact NE1-NE1 3.25Å; W196-W200 HydrophobicContact CE3-CH2 4.48Å; W196-W200 HydrophobicContact CE3-CZ2 4.31Å; W196-W200 AromaticContact CZ3-CH2 3.89Å; W196-W200 HydrophobicContact CZ3-CH2 3.89Å; W196-W200 HydrophobicContact CZ3-CZ2 4.11Å
197	G	89.6	Confident	93.5	Very high	60 Å²	60	58.7 Å²	58.7	62%	0.619	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-16.7	-179.8	0	0	0	0	0	114.3	N194 V195	N194-G197 WeakPolarHBondContact OD1-CA 3.32Å; N194-G197 PolarHBondContact OD1-N 2.95Å; V195-G197 PolarHBondContact O-N 3.4Å
198	E	91.3	Very high	93.7	Very high	127 Å²	127	56.9 Å²	56.9	59%	0.593	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.9	173.8	-61.5	-172.1	151	0	0	110.8	N194 V195 W200	N194-E198 CarbonylContact C-O 3.53Å; N194-E198 VanDerWaalsContact CA-O 3.32Å; N194-E198 WeakPolarHBondContact CA-O 3.13Å; V195-E198 PolarHBondContact N-O 3.03Å; V195-E198 PolarHBondContact O-N 3.06Å; E198-W200 PolarHBondContact OE2-NE1 3.43Å
199	T	93.7	Very high	93.9	Very high	70 Å²	70	54.3 Å²	54.3	43%	0.429	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.4	169.1	-54.5	0	0	0	0	110	R192 M193	R192-T199 HydrophobicContact CB-CG2 4.04Å; R192-T199 HydrophobicContact CG-CG2 4.43Å; M193-T199 CarbonylContact O-C 3.59Å; M193-T199 WeakPolarHBondContact O-CA 3.45Å
200	W	92.6	Very high	94.1	Very high	31 Å²	31	50.6 Å²	50.6	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.4	172.7	-65	2.6	0	0	0	109.8	V126 W128 R192 M193 V195 W196 E198 A203	V126-W200 HydrophobicContact CB-CZ3 4.48Å; V126-W200 HydrophobicContact CG1-CE3 4.49Å; V126-W200 HydrophobicContact CG1-CH2 4.49Å; V126-W200 HydrophobicContact CG1-CZ3 3.85Å; V126-W200 HydrophobicContact CG2-CE3 4.11Å; V126-W200 HydrophobicContact CG2-CZ3 4.1Å; W128-W200 HydrophobicContact CB-CE3 4.19Å; W128-W200 AromaticContact CD1-CD2 3.47Å; W128-W200 VanDerWaalsContact CD1-CD2 3.47Å; W128-W200 AromaticContact CD1-CE2 3.79Å; W128-W200 AromaticContact CD1-CE3 3.3Å; W128-W200 AromaticContact CD1-CH2 3.8Å; W128-W200 AromaticContact CD1-CZ2 3.95Å; W128-W200 AromaticContact CD1-CZ3 3.48Å; W128-W200 VanDerWaalsContact CD1-CZ3 3.48Å; W128-W200 HydrophobicContact CG-CD2 4.07Å; W128-W200 AromaticContact CG-CE3 3.95Å; W128-W200 HydrophobicContact CG-CE3 3.95Å; W128-W200 HydrophobicContact CG-CG 4.39Å; W128-W200 HydrophobicContact CG-CZ3 4.45Å; W128-W200 AromaticContact NE1-CD2 3.75Å; W128-W200 AromaticContact NE1-CE2 3.61Å; W128-W200 AromaticContact NE1-CZ2 3.75Å; R192-W200 WeakPolarHBondContact CA-O 3.31Å; M193-W200 PolarHBondContact N-O 2.62Å; M193-W200 PolarHBondContact O-N 3.46Å; V195-W200 HydrophobicContact CB-CD2 3.9Å; V195-W200 HydrophobicContact CB-CE3 4.13Å; V195-W200 HydrophobicContact CB-CG 4.33Å; V195-W200 HydrophobicContact CB-CZ2 4.31Å; V195-W200 HydrophobicContact CB-CZ3 4.44Å; V195-W200 HydrophobicContact CG1-CD2 4.35Å; V195-W200 HydrophobicContact CG1-CE3 4.25Å; V195-W200 HydrophobicContact CG1-CH2 3.94Å; V195-W200 HydrophobicContact CG1-CZ2 4.01Å; V195-W200 HydrophobicContact CG1-CZ3 4.06Å; V195-W200 HydrophobicContact CG2-CD2 3.9Å; V195-W200 HydrophobicContact CG2-CE3 3.82Å; V195-W200 HydrophobicContact CG2-CG 4.23Å; V195-W200 HydrophobicContact CG2-CZ3 4.36Å; W196-W200 HydrophobicContact CE3-CH2 4.48Å; W196-W200 HydrophobicContact CE3-CZ2 4.31Å; W196-W200 AromaticContact CZ3-CH2 3.89Å; W196-W200 HydrophobicContact CZ3-CH2 3.89Å; W196-W200 HydrophobicContact CZ3-CZ2 4.11Å; E198-W200 PolarHBondContact OE2-NE1 3.43Å; W200-A203 HydrophobicContact CB-CB 4.06Å
201	E	92.3	Very high	94.1	Very high	107 Å²	107	52.4 Å²	52.4	50%	0.5	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.9	177.5	-56.7	-158.3	137.2	0	0	111.1	P191 R192 A203	P191-E201 VanDerWaalsContact O-CA 3.31Å; P191-E201 WeakPolarHBondContact O-CA 3.49Å; R192-E201 HydrophobicContact CG-CG 4.35Å; R192-E201 IonicContact CZ-OE1 2.69Å; R192-E201 IonicContact NH1-OE1 2.93Å; R192-E201 PolarHBondContact NH1-OE1 3.44Å; E201-A203 VanDerWaalsContact C-N 3.25Å; E201-A203 PolarHBondContact O-N 2.63Å
202	N	90.6	Very high	94.1	Very high	103 Å²	103	51 Å²	51	55%	0.551	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.4	43.2	-173.5	-53.1	-75.9	0	0	0	112.6	V189 C190 P191 V204	V189-N202 HydrophobicContact CG1-CB 4.32Å; C190-N202 CarbonylContact O-C 3.43Å; C190-N202 WeakPolarHBondContact O-CA 3.33Å; C190-N202 PolarHBondContact O-N 2.81Å; P191-N202 PolarHBondContact O-N 2.82Å; N202-V204 PolarHBondContact O-N 3.17Å
203	A	93.4	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.1	179	0	0	0	0	0	110.3	V126 H127 V189 C190 M193 W200 E201	V126-A203 HydrophobicContact CG2-CB 3.95Å; H127-A203 CarbonylContact O-C 3.58Å; V189-A203 CarbonylContact C-O 3.53Å; C190-A203 HydrophobicContact CB-CB 4.47Å; C190-A203 PolarHBondContact N-O 3.48Å; C190-A203 PolarHBondContact O-N 3.37Å; M193-A203 HydrophobicContact CB-CB 3.95Å; M193-A203 HydrophobicContact SD-CB 4.11Å; W200-A203 HydrophobicContact CB-CB 4.06Å; E201-A203 VanDerWaalsContact C-N 3.25Å; E201-A203 PolarHBondContact O-N 2.63Å
204	V	94.1	Very high	94	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.206	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.8	178.3	-176.1	0	0	0	0	108.4	V126 H127 V187 H188 V189 N202	V126-V204 WeakPolarHBondContact CA-O 3.42Å; H127-V204 PolarHBondContact N-O 3.04Å; H127-V204 PolarHBondContact O-N 2.65Å; V187-V204 HydrophobicContact CG1-CG1 3.7Å; H188-V204 WeakPolarHBondContact O-CA 3.42Å; V189-V204 HydrophobicContact CG2-CG2 4.3Å; N202-V204 PolarHBondContact O-N 3.17Å
205	Y	96.4	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.3	-174.1	-175	-154.7	0	0	0	110	W103 A104 Q108 W109 D110 L124 V126 V187 H188 M193 V207	W103-Y205 PolarHBondContact NE1-OH 2.84Å; A104-Y205 HydrophobicContact CB-CD1 4.3Å; Q108-Y205 PolarHBondContact O-OH 2.72Å; W109-Y205 HydrophobicContact CE3-CD2 4.19Å; W109-Y205 AromaticContact CE3-CE2 3.7Å; W109-Y205 HydrophobicContact CE3-CE2 3.7Å; W109-Y205 HydrophobicContact CZ3-CD2 4.13Å; W109-Y205 AromaticContact CZ3-CE2 3.74Å; W109-Y205 HydrophobicContact CZ3-CE2 3.74Å; D110-Y205 PolarHBondContact O-OH 2.86Å; L124-Y205 HydrophobicContact CB-CE2 4.29Å; L124-Y205 HydrophobicContact CD2-CE2 3.96Å; L124-Y205 WeakPolarHBondContact CD2-OH 3.2Å; V126-Y205 HydrophobicContact CB-CD2 4.43Å; V187-Y205 CarbonylContact C-O 3.59Å; V187-Y205 WeakPolarHBondContact CA-O 3.5Å; H188-Y205 PolarHBondContact N-O 3.21Å; H188-Y205 PolarHBondContact O-N 3.44Å; M193-Y205 HydrophobicContact CE-CD1 3.78Å; M193-Y205 HydrophobicContact CE-CD2 3.78Å; M193-Y205 HydrophobicContact CE-CE1 3.94Å; M193-Y205 HydrophobicContact CE-CE2 3.94Å; M193-Y205 HydrophobicContact CE-CG 3.7Å; M193-Y205 HydrophobicContact SD-CD1 4.33Å; M193-Y205 HydrophobicContact SD-CG 4.18Å; Y205-V207 HydrophobicContact CD1-CG2 4.19Å; Y205-V207 HydrophobicContact CD2-CG2 4.34Å; Y205-V207 HydrophobicContact CE1-CG2 3.77Å; Y205-V207 HydrophobicContact CE2-CG2 3.93Å; Y205-V207 HydrophobicContact CG-CG2 4.46Å
206	L	97.7	Very high	93.5	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.5	171.8	172.3	68.8	0	0	0	109	I69 A125 P134 H137 W141 C185 A186 V187	I69-L206 HydrophobicContact CD1-CD1 4.49Å; A125-L206 HydrophobicContact CB-CB 4.38Å; A125-L206 PolarHBondContact N-O 3.33Å; A125-L206 PolarHBondContact O-N 3.33Å; P134-L206 HydrophobicContact CB-CD1 4.3Å; P134-L206 HydrophobicContact CB-CD2 4.34Å; H137-L206 HydrophobicContact CB-CD2 3.6Å; W141-L206 HydrophobicContact CH2-CD2 3.67Å; W141-L206 HydrophobicContact CH2-CG 4.04Å; W141-L206 HydrophobicContact CZ2-CD2 4.1Å; W141-L206 HydrophobicContact CZ2-CG 4.45Å; W141-L206 HydrophobicContact CZ3-CD2 4.37Å; C185-L206 HydrophobicContact CB-CD1 4.02Å; A186-L206 WeakPolarHBondContact O-CA 3.4Å; V187-L206 HydrophobicContact CG2-CD1 3.91Å
207	V	98.4	Very high	93.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.4	169.8	-178.9	0	0	0	0	107.8	A100 W103 A104 Q122 L124 C185 A186 Y205	A100-V207 HydrophobicContact CB-CB 4.14Å; A100-V207 HydrophobicContact CB-CG1 3.91Å; W103-V207 HydrophobicContact CB-CG1 4.46Å; A104-V207 HydrophobicContact CB-CB 4.37Å; A104-V207 HydrophobicContact CB-CG2 3.74Å; Q122-V207 HydrophobicContact CG-CG1 4.17Å; L124-V207 HydrophobicContact CD2-CB 4.29Å; L124-V207 HydrophobicContact CD2-CG1 4.03Å; L124-V207 HydrophobicContact CD2-CG2 3.92Å; C185-V207 CarbonylContact C-O 3.6Å; C185-V207 WeakPolarHBondContact CA-O 3.35Å; C185-V207 VanDerWaalsContact CB-O 3.26Å; C185-V207 WeakPolarHBondContact CB-O 3.03Å; A186-V207 PolarHBondContact N-O 2.85Å; A186-V207 PolarHBondContact O-N 3.14Å; Y205-V207 HydrophobicContact CD1-CG2 4.19Å; Y205-V207 HydrophobicContact CD2-CG2 4.34Å; Y205-V207 HydrophobicContact CE1-CG2 3.77Å; Y205-V207 HydrophobicContact CE2-CG2 3.93Å; Y205-V207 HydrophobicContact CG-CG2 4.46Å
208	C	98.6	Very high	93.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.8	169.4	-79.5	0	0	0	0	110.1	Q122 N123 W141 V183 C185 Y210	Q122-C208 CarbonylContact C-O 3.56Å; Q122-C208 VanDerWaalsContact CA-O 3.26Å; Q122-C208 WeakPolarHBondContact CA-O 3.5Å; N123-C208 PolarHBondContact N-O 3.03Å; N123-C208 PolarHBondContact O-N 3.36Å; W141-C208 HydrophobicContact CH2-CB 3.66Å; W141-C208 VanDerWaalsContact CH2-SG 3.57Å; W141-C208 HydrophobicContact CZ3-CB 3.82Å; V183-C208 HydrophobicContact CG2-CB 4.41Å; C185-C208 HydrophobicContact CB-CB 4Å; C185-C208 WeakPolarHBondContact CB-SG 3.29Å; C185-C208 VanDerWaalsContact SG-CA 3.52Å; C185-C208 WeakPolarHBondContact SG-CB 3.16Å; C185-C208 CovalentContact SG-SG 2.03Å; C185-C208 PolarHBondContact SG-SG 2.85Å; C208-Y210 HydrophobicContact CB-CE2 3.78Å; C208-Y210 WeakPolarHBondContact O-CD2 3.3Å; C208-Y210 VanDerWaalsContact O-CE2 3.3Å; C208-Y210 WeakPolarHBondContact O-CE2 3.21Å
209	N	98.4	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.1	176	-75	-30.3	0	0	0	111	L96 S99 A100 I120 G121 Q122 V183 G184	L96-N209 HydrophobicContact CB-CB 4.09Å; L96-N209 HydrophobicContact CD2-CB 4.27Å; S99-N209 VanDerWaalsContact C-ND2 3.32Å; A100-N209 VanDerWaalsContact CA-ND2 3.31Å; A100-N209 WeakPolarHBondContact CA-ND2 3.21Å; A100-N209 PolarHBondContact N-ND2 3.45Å; I120-N209 HydrophobicContact CD1-CB 4.09Å; G121-N209 WeakPolarHBondContact O-CA 3.28Å; Q122-N209 WeakPolarHBondContact CG-OD1 3.19Å; Q122-N209 PolarHBondContact NE2-OD1 3.06Å; V183-N209 CarbonylContact C-O 3.56Å; V183-N209 VanDerWaalsContact CA-O 3.31Å; V183-N209 WeakPolarHBondContact CA-O 3.42Å; G184-N209 PolarHBondContact N-O 2.94Å; G184-N209 PolarHBondContact O-N 3.48Å
210	Y	98.3	Very high	93	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.2	-169.3	-66.4	-84.5	0	0	0	112.1	H73 M90 I120 G121 N123 Q174 T180 R182 V183 C208	H73-Y210 AromaticContact CD2-CE1 3.88Å; H73-Y210 AromaticContact NE2-CE1 3.44Å; H73-Y210 WeakPolarHBondContact NE2-CE1 3.43Å; H73-Y210 AromaticContact NE2-CZ 3.54Å; H73-Y210 PolarHBondContact NE2-OH 3.33Å; M90-Y210 HydrophobicContact CE-CD1 4.18Å; M90-Y210 HydrophobicContact CE-CE1 4.28Å; I120-Y210 CarbonylContact C-O 3.49Å; I120-Y210 WeakPolarHBondContact CA-O 3.26Å; I120-Y210 VanDerWaalsContact CB-O 3.31Å; I120-Y210 WeakPolarHBondContact CB-O 3.39Å; G121-Y210 PolarHBondContact N-O 2.86Å; G121-Y210 PolarHBondContact O-N 3.44Å; N123-Y210 HydrophobicContact CB-CE2 3.78Å; Q174-Y210 HydrophobicContact CG-CD1 4.38Å; Q174-Y210 HydrophobicContact CG-CD2 3.61Å; Q174-Y210 HydrophobicContact CG-CE2 3.98Å; Q174-Y210 HydrophobicContact CG-CG 3.83Å; T180-Y210 HydrophobicContact CG2-CD1 3.91Å; T180-Y210 HydrophobicContact CG2-CG 4.26Å; R182-Y210 WeakPolarHBondContact O-CA 3.48Å; V183-Y210 HydrophobicContact CB-CD1 4.07Å; V183-Y210 HydrophobicContact CB-CE1 4.07Å; V183-Y210 HydrophobicContact CG2-CD1 3.81Å; V183-Y210 HydrophobicContact CG2-CE1 3.49Å; V183-Y210 VanDerWaalsContact CG2-CE1 3.49Å; C208-Y210 HydrophobicContact CB-CE2 3.78Å; C208-Y210 WeakPolarHBondContact O-CD2 3.3Å; C208-Y210 VanDerWaalsContact O-CE2 3.3Å; C208-Y210 WeakPolarHBondContact O-CE2 3.21Å
211	S	93.3	Very high	93.2	Very high	37 Å²	37	43.8 Å²	43.8	26%	0.259	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.6	177.1	-169.2	0	0	0	0	113.2	S181 R182	S181-S211 PolarHBondContact N-O 3.09Å; R182-S211 VanDerWaalsContact CB-O 3.31Å; R182-S211 WeakPolarHBondContact CB-O 3.43Å; R182-S211 PolarHBondContact N-O 2.69Å; R182-S211 PolarHBondContact O-N 2.94Å
212	P	93.7	Very high	93.5	Very high	58 Å²	58	38.9 Å²	38.9	38%	0.377	20%	0.203	S	C	.	.	S	Bend	cis	-51.7	156.7	-19.3	-25.8	33.6	0	0	0	113.8	T179 T180	T179-P212 VanDerWaalsContact O-CD 3.3Å; T179-P212 WeakPolarHBondContact O-CD 3.38Å; T180-P212 WeakPolarHBondContact CG2-O 3.49Å; T180-P212 PolarHBondContact OG1-O 3.41Å
213	K	91.8	Very high	93.8	Very high	55 Å²	55	38.1 Å²	38.1	24%	0.239	20%	0.196	C	C	.	.			trans	-55	135.3	172.4	-179.3	176.4	-169.5	83.2	0	111.8	L117 I120 W216	L117-K213 WeakPolarHBondContact O-CD 3.41Å; L117-K213 WeakPolarHBondContact O-CE 3.3Å; L117-K213 PolarHBondContact O-NZ 2.97Å; I120-K213 WeakPolarHBondContact O-CD 3.42Å; I120-K213 WeakPolarHBondContact O-CG 3.46Å; I120-K213 PolarHBondContact O-NZ 3.03Å; K213-W216 HydrophobicContact CB-CZ2 4.47Å; K213-W216 PolarHBondContact O-NE1 3.16Å
214	G	93	Very high	93.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	22%	0.215	C	C	.	.			trans	-101.3	-162.7	166.5	0	0	0	0	0	112.7	Q174 W177 W216	Q174-G214 VanDerWaalsContact OE1-CA 3.32Å; W177-G214 VanDerWaalsContact CG-CA 3.43Å; G214-W216 PolarHBondContact O-N 2.71Å
215	N	93.1	Very high	94	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.283	21%	0.214	S	C	.	.			trans	55.6	46.1	-178.1	-60.8	-8.5	0	0	0	113	T170 T173 Q174 W177	T170-N215 PolarHBondContact O-ND2 2.68Å; T173-N215 WeakPolarHBondContact CB-OD1 3.31Å; T173-N215 PolarHBondContact OG1-OD1 2.87Å; Q174-N215 PolarHBondContact N-OD1 2.94Å; Q174-N215 VanDerWaalsContact N-OD1 3.13Å; W177-N215 VanDerWaalsContact CZ3-CA 3.47Å
216	W	84.6	Confident	94.1	Very high	146 Å²	146	51.1 Å²	51.1	55%	0.553	25%	0.251	S	S	*	.			trans	-71	130.2	172.1	-69.1	88.8	0	0	0	110.1	W177 K213 G214 G218 E219	W177-W216 HydrophobicContact CH2-CB 4.17Å; W177-W216 HydrophobicContact CZ2-CB 4.03Å; W177-W216 AromaticContact CZ2-CD1 3.69Å; W177-W216 HydrophobicContact CZ2-CG 4.28Å; K213-W216 HydrophobicContact CB-CZ2 4.47Å; K213-W216 PolarHBondContact O-NE1 3.16Å; G214-W216 PolarHBondContact O-N 2.71Å; W216-G218 PolarHBondContact O-N 2.95Å; W216-E219 HydrophobicContact CB-CB 3.99Å; W216-E219 HydrophobicContact CB-CG 3.87Å; W216-E219 PolarHBondContact O-N 3.27Å
217	I	83.1	Confident	94.1	Very high	165 Å²	165	52.6 Å²	52.6	85%	0.846	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	123.8	-177.1	-60.4	172.4	0	0	0	108.9
218	G	86.3	Confident	94	Very high	16 Å²	16	53.6 Å²	53.6	17%	0.165	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	8.6	-179.8	0	0	0	0	0	115.4	C160 W216	C160-G218 WeakPolarHBondContact CB-O 3.47Å; C160-G218 PolarHBondContact N-O 3.4Å; W216-G218 PolarHBondContact O-N 2.95Å
219	E	89.3	Confident	93.8	Very high	116 Å²	116	57 Å²	57	54%	0.542	29%	0.291	S	S	.	.			trans	-114.7	147.9	180	-68.9	-72.8	-178.6	0	0	112	W177 W216	W177-E219 HydrophobicContact CH2-CB 3.9Å; W177-E219 HydrophobicContact CZ2-CB 4.14Å; W216-E219 HydrophobicContact CB-CB 3.99Å; W216-E219 HydrophobicContact CB-CG 3.87Å; W216-E219 PolarHBondContact O-N 3.27Å
220	A	93.9	Very high	93.6	Very high	22 Å²	22	61.9 Å²	61.9	18%	0.182	31%	0.314	C	S	.	.			trans	-79.4	146.3	171	0	0	0	0	0	110.6	Y150 P151 Y222	Y150-A220 HydrophobicContact CE2-CB 4.39Å; P151-A220 HydrophobicContact CG-CB 4.16Å; A220-Y222 VanDerWaalsContact C-N 3.26Å; A220-Y222 PolarHBondContact O-N 3.4Å
221	P	97.4	Very high	93.1	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.019	32%	0.322	C	S	.	.	S	Bend	trans	-66.6	-27	-175.1	26.5	-35.1	0	0	0	113.7	Y148 T173 V176 W177 A178	Y148-P221 VanDerWaalsContact OH-CD 3.23Å; Y148-P221 WeakPolarHBondContact OH-CD 3.33Å; T173-P221 HydrophobicContact CG2-CB 4.5Å; T173-P221 HydrophobicContact CG2-CG 4.39Å; V176-P221 HydrophobicContact CG2-CB 4.19Å; V176-P221 HydrophobicContact CG2-CG 4.46Å; W177-P221 CarbonylContact C-O 3.5Å; W177-P221 WeakPolarHBondContact CA-O 3.2Å; W177-P221 HydrophobicContact CD2-CB 4.46Å; W177-P221 VanDerWaalsContact CE3-CA 3.49Å; W177-P221 HydrophobicContact CE3-CB 3.72Å; W177-P221 HydrophobicContact CZ3-CB 3.97Å; A178-P221 PolarHBondContact N-O 3.29Å
222	Y	98.1	Very high	92.8	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.016	32%	0.32	C	S	.	.	S	Bend	trans	-149.5	165.1	175.1	51.4	-101.4	0	0	0	109.6	V80 Y81 P82 A84 M87 Y150 V176 A220	V80-Y222 HydrophobicContact CB-CE1 4.09Å; V80-Y222 HydrophobicContact CG1-CE1 4.27Å; V80-Y222 HydrophobicContact CG2-CE1 4.03Å; V80-Y222 HydrophobicContact CG2-CE2 4.34Å; Y81-Y222 PolarHBondContact O-OH 3.23Å; P82-Y222 HydrophobicContact CG-CE2 4.46Å; P82-Y222 WeakPolarHBondContact O-CE2 3.31Å; P82-Y222 PolarHBondContact O-OH 3.46Å; A84-Y222 HydrophobicContact CB-CD1 4.48Å; A84-Y222 HydrophobicContact CB-CD2 3.54Å; A84-Y222 HydrophobicContact CB-CE2 4.2Å; A84-Y222 HydrophobicContact CB-CG 3.71Å; M87-Y222 HydrophobicContact CE-CD1 3.67Å; M87-Y222 HydrophobicContact CE-CE1 4.37Å; M87-Y222 HydrophobicContact CE-CG 3.99Å; Y150-Y222 HydrophobicContact CD2-CD2 4.24Å; Y150-Y222 HydrophobicContact CD2-CE1 4.4Å; Y150-Y222 AromaticContact CD2-CE2 3.53Å; Y150-Y222 HydrophobicContact CD2-CE2 3.53Å; Y150-Y222 AromaticContact CD2-CZ 3.62Å; Y150-Y222 AromaticContact CE2-CD2 3.57Å; Y150-Y222 HydrophobicContact CE2-CD2 3.57Å; Y150-Y222 AromaticContact CE2-CE2 3.29Å; Y150-Y222 HydrophobicContact CE2-CE2 3.29Å; Y150-Y222 HydrophobicContact CE2-CG 4.3Å; Y150-Y222 AromaticContact CE2-CZ 3.84Å; Y150-Y222 WeakPolarHBondContact CE2-O 3.14Å; Y150-Y222 PolarHBondContact OH-O 3.16Å; V176-Y222 HydrophobicContact CB-CD1 4.38Å; V176-Y222 HydrophobicContact CB-CE1 4.37Å; V176-Y222 HydrophobicContact CG2-CD1 4.07Å; V176-Y222 HydrophobicContact CG2-CE1 3.9Å; A220-Y222 VanDerWaalsContact C-N 3.26Å; A220-Y222 PolarHBondContact O-N 3.4Å
223	Q	96.3	Very high	92	Very high	87 Å²	87	66 Å²	66	41%	0.407	34%	0.34	S	S	.	.			trans	-86.1	127.4	172.7	-69	171.2	-10.2	0	0	109.8	A84 S85 N86	A84-Q223 CarbonylContact C-O 3.52Å; A84-Q223 WeakPolarHBondContact CA-O 3.11Å; S85-Q223 PolarHBondContact N-O 3.47Å; S85-Q223 WeakPolarHBondContact OG-CB 3.41Å; S85-Q223 PolarHBondContact OG-O 3.02Å; N86-Q223 PolarHBondContact OD1-N 3.4Å
224	H	96.9	Very high	91.4	Very high	85 Å²	85	66.7 Å²	66.7	39%	0.394	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-65.9	132.4	172.4	171.9	-126.2	0	0	0	111.8	T83 Y150 Y152	T83-H224 WeakPolarHBondContact O-CA 3.39Å; T83-H224 PolarHBondContact O-CD2 3.02Å; Y150-H224 HydrophobicContact CE1-CB 3.81Å; Y150-H224 PolarHBondContact OH-N 3.19Å; Y152-H224 AromaticContact CE1-ND1 3.82Å
225	G	96.3	Very high	90.8	Very high	18 Å²	18	67.9 Å²	67.9	19%	0.186	36%	0.357	C	S	.	.	S	Bend	trans	168	-171.5	170.2	0	0	0	0	0	112.8	T83	T83-G225 CarbonylContact C-O 3.56Å; T83-G225 WeakPolarHBondContact CB-O 3.4Å; T83-G225 PolarHBondContact O-N 2.93Å; T83-G225 PolarHBondContact OG1-O 3.07Å
226	R	97.1	Very high	89.9	Confident	204 Å²	204	68.6 Å²	68.6	77%	0.77	38%	0.377	S	S	*	.	S	Bend	trans	-59.8	134.6	174.1	178.2	-180	177.1	179.3	0	109.8	S85 C228 S229	S85-R226 WeakPolarHBondContact CA-O 3.49Å; R226-C228 PolarHBondContact O-N 2.75Å; R226-S229 WeakPolarHBondContact O-CB 3.14Å; R226-S229 PolarHBondContact O-N 2.97Å; R226-S229 VanDerWaalsContact O-N 3.09Å; R226-S229 PolarHBondContact O-OG 3.04Å
227	P	98.1	Very high	89.5	Confident	34 Å²	34	64.9 Å²	64.9	22%	0.221	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	134.9	175.1	-33.6	37.8	0	0	0	113.7	T83 A84 S229 N242	T83-P227 HydrophobicContact CG2-CG 4.33Å; A84-P227 WeakPolarHBondContact O-CA 3.18Å; P227-S229 PolarHBondContact O-N 3.13Å; P227-S229 VanDerWaalsContact O-N 3.07Å; P227-N242 HydrophobicContact CB-CB 3.89Å; P227-N242 WeakPolarHBondContact CB-OD1 3.16Å; P227-N242 HydrophobicContact CG-CB 4.27Å
228	C	95.9	Very high	89.7	Confident	22 Å²	22	57.8 Å²	57.8	15%	0.149	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	4.7	-178.8	-54	0	0	0	0	117.7	S85 R226 Q230 C231 C239 L243	S85-C228 CarbonylContact O-C 3.6Å; S85-C228 VanDerWaalsContact O-C 3.23Å; S85-C228 WeakPolarHBondContact O-CA 3.31Å; R226-C228 PolarHBondContact O-N 2.75Å; C228-Q230 PolarHBondContact O-N 3.37Å; C228-C231 WeakPolarHBondContact CA-SG 3.45Å; C228-C231 VanDerWaalsContact CB-SG 3.52Å; C228-C231 PolarHBondContact O-N 2.95Å; C228-C231 PolarHBondContact O-SG 2.89Å; C228-C231 VanDerWaalsContact O-SG 3.37Å; C228-C239 HydrophobicContact CB-CB 3.51Å; C228-C239 WeakPolarHBondContact CB-SG 3.03Å; C228-C239 WeakPolarHBondContact SG-CB 3.42Å; C228-C239 CovalentContact SG-SG 2.03Å; C228-C239 PolarHBondContact SG-SG 2.93Å; C228-L243 PolarHBondContact SG-O 2.03Å
229	S	94.8	Very high	90.1	Very high	71 Å²	71	60.5 Å²	60.5	50%	0.497	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.9	-175.6	68.9	0	0	0	0	115.1	S85 R226 P227	S85-S229 VanDerWaalsContact CB-OG 3.3Å; S85-S229 WeakPolarHBondContact CB-OG 3.46Å; S85-S229 PolarHBondContact O-N 2.99Å; R226-S229 WeakPolarHBondContact O-CB 3.14Å; R226-S229 PolarHBondContact O-N 2.97Å; R226-S229 VanDerWaalsContact O-N 3.09Å; R226-S229 PolarHBondContact O-OG 3.04Å; P227-S229 PolarHBondContact O-N 3.13Å; P227-S229 VanDerWaalsContact O-N 3.07Å
230	Q	93.8	Very high	90.4	Very high	103 Å²	103	59.9 Å²	59.9	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	36.8	178.3	-61.9	-171.1	87.3	0	0	111.4	S85 N86 C228	S85-Q230 CarbonylContact O-C 3.36Å; S85-Q230 PolarHBondContact O-N 2.03Å; S85-Q230 PolarHBondContact OG-NE2 3.19Å; N86-Q230 HydrophobicContact CB-CB 4.25Å; N86-Q230 WeakPolarHBondContact CB-O 3.37Å; C228-Q230 PolarHBondContact O-N 3.37Å
231	C	89.3	Confident	90.5	Very high	26 Å²	26	63.5 Å²	63.5	18%	0.176	38%	0.376	C	S	.	.			trans	-63	137.6	176.5	-75.1	0	0	0	0	112.9	C228 C244	C228-C231 WeakPolarHBondContact CA-SG 3.45Å; C228-C231 VanDerWaalsContact CB-SG 3.52Å; C228-C231 PolarHBondContact O-N 2.95Å; C228-C231 PolarHBondContact O-SG 2.89Å; C228-C231 VanDerWaalsContact O-SG 3.37Å; C231-C244 WeakPolarHBondContact CA-SG 3.43Å; C231-C244 HydrophobicContact CB-CB 3.69Å; C231-C244 WeakPolarHBondContact CB-SG 3.26Å; C231-C244 WeakPolarHBondContact SG-CA 3.23Å; C231-C244 WeakPolarHBondContact SG-CB 3.22Å; C231-C244 CovalentContact SG-SG 2.03Å; C231-C244 PolarHBondContact SG-SG 3.07Å
232	P	85.5	Confident	90.6	Very high	32 Å²	32	67.3 Å²	67.3	21%	0.208	40%	0.396	C	S	.	.			trans	-58.2	138.7	174	-24.6	33.9	0	0	0	112	E88 S234 F235	E88-P232 HydrophobicContact CG-CG 4.26Å; P232-S234 PolarHBondContact O-N 3.09Å; P232-F235 HydrophobicContact CB-CD2 4.01Å; P232-F235 HydrophobicContact CB-CE2 4.18Å; P232-F235 HydrophobicContact CG-CD2 4.22Å; P232-F235 HydrophobicContact CG-CE2 4.13Å; P232-F235 WeakPolarHBondContact O-CD2 3.28Å; P232-F235 PolarHBondContact O-N 3.21Å
233	P	77.9	Confident	90.5	Very high	123 Å²	123	67.2 Å²	67.2	80%	0.799	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-56.6	-19.1	-178.3	-29.5	36.1	0	0	0	115.4	F235 G236	P233-F235 PolarHBondContact O-N 3.43Å; P233-G236 PolarHBondContact O-N 2.63Å
234	S	78.6	Confident	90.5	Very high	69 Å²	69	63 Å²	63	48%	0.483	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.8	173.1	45.1	0	0	0	0	114.4	P232 K246	P232-S234 PolarHBondContact O-N 3.09Å; S234-K246 WeakPolarHBondContact O-CD 3.37Å; S234-K246 PolarHBondContact O-NZ 2.95Å
235	F	81.2	Confident	90.4	Very high	26 Å²	26	61.4 Å²	61.4	11%	0.114	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-88.5	-1.8	176.9	-62.2	-85.6	0	0	0	113.5	E88 P232 P233 G237 G238 C244 K246	E88-F235 HydrophobicContact CB-CE2 4.12Å; E88-F235 HydrophobicContact CB-CZ 3.75Å; E88-F235 HydrophobicContact CG-CE2 3.61Å; E88-F235 HydrophobicContact CG-CZ 3.76Å; E88-F235 WeakPolarHBondContact OE2-CZ 3.24Å; P232-F235 HydrophobicContact CB-CD2 4.01Å; P232-F235 HydrophobicContact CB-CE2 4.18Å; P232-F235 HydrophobicContact CG-CD2 4.22Å; P232-F235 HydrophobicContact CG-CE2 4.13Å; P232-F235 WeakPolarHBondContact O-CD2 3.28Å; P232-F235 PolarHBondContact O-N 3.21Å; P233-F235 PolarHBondContact O-N 3.43Å; F235-G237 PolarHBondContact O-N 3.43Å; F235-G238 PolarHBondContact O-N 2.94Å; F235-G238 VanDerWaalsContact O-N 3.16Å; F235-C244 HydrophobicContact CB-CB 4.26Å; F235-C244 HydrophobicContact CD1-CB 4.25Å; F235-C244 WeakPolarHBondContact CD1-O 3.19Å; F235-C244 HydrophobicContact CD2-CB 3.94Å; F235-C244 VanDerWaalsContact CE1-O 3.28Å; F235-C244 WeakPolarHBondContact CE1-O 3.23Å; F235-C244 HydrophobicContact CE2-CB 4.4Å; F235-C244 HydrophobicContact CG-CB 3.88Å; F235-K246 HydrophobicContact CD1-CB 4.17Å
236	G	74.1	Confident	89.8	Confident	69 Å²	69	66.8 Å²	66.8	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	21.7	173.7	0	0	0	0	0	115.1	P233 G238	P233-G236 PolarHBondContact O-N 2.63Å; G236-G238 PolarHBondContact O-N 2.69Å
237	G	75.7	Confident	88.5	Confident	68 Å²	68	61.9 Å²	61.9	70%	0.701	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	5.6	-175.2	0	0	0	0	0	114.8	F235	F235-G237 PolarHBondContact O-N 3.43Å
238	G	87.5	Confident	86.5	Confident	16 Å²	16	66 Å²	66	17%	0.165	40%	0.404	C	S	.	.			trans	-70.7	140.1	175.3	0	0	0	0	0	112.3	F235 G236 Y245	F235-G238 PolarHBondContact O-N 2.94Å; F235-G238 VanDerWaalsContact O-N 3.16Å; G236-G238 PolarHBondContact O-N 2.69Å; G238-Y245 CarbonylContact C-O 3.46Å; G238-Y245 VanDerWaalsContact C-O 3.24Å; G238-Y245 WeakPolarHBondContact CA-O 3.21Å; G238-Y245 PolarHBondContact O-N 3.19Å; G238-Y245 VanDerWaalsContact O-O 3.14Å
239	C	94.3	Very high	84.1	Confident	72 Å²	72	73.8 Å²	73.8	49%	0.486	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.8	180	-177.4	0	0	0	0	108.8	C228 L243	C228-C239 HydrophobicContact CB-CB 3.51Å; C228-C239 WeakPolarHBondContact CB-SG 3.03Å; C228-C239 WeakPolarHBondContact SG-CB 3.42Å; C228-C239 CovalentContact SG-SG 2.03Å; C228-C239 PolarHBondContact SG-SG 2.93Å; C239-L243 WeakPolarHBondContact CA-O 3.48Å
240	R	95.7	Very high	81.5	Confident	103 Å²	103	80.6 Å²	80.6	39%	0.389	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.3	176.9	-146.7	-165.9	81.9	-167.6	4.3	109.2	N242 L243 Y245	R240-N242 PolarHBondContact O-N 3.45Å; R240-L243 PolarHBondContact N-O 3.38Å; R240-L243 WeakPolarHBondContact O-CA 3.29Å; R240-L243 WeakPolarHBondContact O-CB 3.45Å; R240-L243 PolarHBondContact O-N 3.19Å; R240-Y245 HydrophobicContact CB-CD1 4.13Å; R240-Y245 HydrophobicContact CB-CD2 4.43Å; R240-Y245 HydrophobicContact CB-CG 3.83Å
241	D	96.5	Very high	78.7	Confident	99 Å²	99	79.9 Å²	79.9	53%	0.529	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	37.4	176.7	-43.3	-40.6	0	0	0	113.3	G78 L243	G78-D241 WeakPolarHBondContact CA-O 3.39Å; D241-L243 PolarHBondContact O-N 3.29Å
242	N	98.1	Very high	76.1	Confident	83 Å²	83	88 Å²	88	44%	0.444	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	6.1	-170.7	-60.7	-36.9	0	0	0	116.6	G78 P227 R240	G78-N242 WeakPolarHBondContact O-CB 3.36Å; G78-N242 PolarHBondContact O-ND2 2.83Å; P227-N242 HydrophobicContact CB-CB 3.89Å; P227-N242 WeakPolarHBondContact CB-OD1 3.16Å; P227-N242 HydrophobicContact CG-CB 4.27Å; R240-N242 PolarHBondContact O-N 3.45Å
243	L	97.9	Very high	73.5	Confident	1 Å²	1	91.2 Å²	91.2	1%	0.005	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.1	-179.8	-56.6	171	0	0	0	111.8	N74 R77 M87 Y89 C228 C239 R240 D241 Y245	N74-L243 HydrophobicContact CB-CD1 3.74Å; N74-L243 WeakPolarHBondContact OD1-CD1 3.48Å; R77-L243 HydrophobicContact CB-CD2 3.72Å; M87-L243 HydrophobicContact CB-CD2 4.07Å; M87-L243 HydrophobicContact CG-CD2 3.36Å; M87-L243 WeakPolarHBondContact O-CA 3.38Å; Y89-L243 HydrophobicContact CD2-CB 4.3Å; Y89-L243 HydrophobicContact CD2-CD1 3.59Å; Y89-L243 HydrophobicContact CE2-CD1 4.27Å; Y89-L243 HydrophobicContact CG-CD1 4.43Å; C228-L243 PolarHBondContact SG-O 2.03Å; C239-L243 WeakPolarHBondContact CA-O 3.48Å; R240-L243 PolarHBondContact N-O 3.38Å; R240-L243 WeakPolarHBondContact O-CA 3.29Å; R240-L243 WeakPolarHBondContact O-CB 3.45Å; R240-L243 PolarHBondContact O-N 3.19Å; D241-L243 PolarHBondContact O-N 3.29Å; L243-Y245 PolarHBondContact O-N 2.95Å; L243-Y245 VanDerWaalsContact O-N 3.13Å
244	C	96.2	Very high	71.8	Confident	0 Å²	0	94.8 Å²	94.8	0%	0	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	110.4	167.9	-55.4	0	0	0	0	109.1	M87 Y89 C231 F235	M87-C244 PolarHBondContact O-N 2.93Å; M87-C244 PolarHBondContact O-SG 2.84Å; Y89-C244 WeakPolarHBondContact CB-O 3.22Å; Y89-C244 PolarHBondContact N-O 2.98Å; C231-C244 WeakPolarHBondContact CA-SG 3.43Å; C231-C244 HydrophobicContact CB-CB 3.69Å; C231-C244 WeakPolarHBondContact CB-SG 3.26Å; C231-C244 WeakPolarHBondContact SG-CA 3.23Å; C231-C244 WeakPolarHBondContact SG-CB 3.22Å; C231-C244 CovalentContact SG-SG 2.03Å; C231-C244 PolarHBondContact SG-SG 3.07Å; F235-C244 HydrophobicContact CB-CB 4.26Å; F235-C244 HydrophobicContact CD1-CB 4.25Å; F235-C244 WeakPolarHBondContact CD1-O 3.19Å; F235-C244 HydrophobicContact CD2-CB 3.94Å; F235-C244 VanDerWaalsContact CE1-O 3.28Å; F235-C244 WeakPolarHBondContact CE1-O 3.23Å; F235-C244 HydrophobicContact CE2-CB 4.4Å; F235-C244 HydrophobicContact CG-CB 3.88Å
245	Y	93.3	Very high	69.9	Low	51 Å²	51	97.7 Å²	97.7	20%	0.2	53%	0.53	C	S	.	.			trans	-122.5	139	-169.6	-170.4	-102.1	0	0	0	110.5	Y89 G238 R240 L243	Y89-Y245 HydrophobicContact CD1-CD2 4.01Å; Y89-Y245 AromaticContact CD1-CE2 3.98Å; Y89-Y245 HydrophobicContact CD1-CE2 3.98Å; Y89-Y245 AromaticContact CD2-CD2 3.53Å; Y89-Y245 HydrophobicContact CD2-CD2 3.53Å; Y89-Y245 AromaticContact CD2-CE2 3.92Å; Y89-Y245 HydrophobicContact CD2-CE2 3.92Å; Y89-Y245 HydrophobicContact CE1-CD2 4.41Å; Y89-Y245 AromaticContact CE1-CE2 3.97Å; Y89-Y245 HydrophobicContact CE1-CE2 3.97Å; Y89-Y245 AromaticContact CE2-CD2 3.97Å; Y89-Y245 HydrophobicContact CE2-CD2 3.97Å; Y89-Y245 AromaticContact CE2-CE2 3.9Å; Y89-Y245 HydrophobicContact CE2-CE2 3.9Å; Y89-Y245 AromaticContact CG-CD2 3.56Å; Y89-Y245 HydrophobicContact CG-CD2 3.56Å; Y89-Y245 AromaticContact CG-CE2 3.97Å; Y89-Y245 HydrophobicContact CG-CE2 3.97Å; Y89-Y245 AromaticContact CZ-CE2 3.94Å; G238-Y245 CarbonylContact C-O 3.46Å; G238-Y245 VanDerWaalsContact C-O 3.24Å; G238-Y245 WeakPolarHBondContact CA-O 3.21Å; G238-Y245 PolarHBondContact O-N 3.19Å; G238-Y245 VanDerWaalsContact O-O 3.14Å; R240-Y245 HydrophobicContact CB-CD1 4.13Å; R240-Y245 HydrophobicContact CB-CD2 4.43Å; R240-Y245 HydrophobicContact CB-CG 3.83Å; L243-Y245 PolarHBondContact O-N 2.95Å; L243-Y245 VanDerWaalsContact O-N 3.13Å
246	K	84.9	Confident	67.6	Low	131 Å²	131	104.8 Å²	104.8	57%	0.57	57%	0.566	S	S	*	*			trans	-104.2	105.5	177	-169.6	177.2	-172.1	158.5	0	110.2	S234 F235 S248	S234-K246 WeakPolarHBondContact O-CD 3.37Å; S234-K246 PolarHBondContact O-NZ 2.95Å; F235-K246 HydrophobicContact CD1-CB 4.17Å; K246-S248 PolarHBondContact O-N 2.82Å
247	D	68.4	Low	66.1	Low	100 Å²	100	108.5 Å²	108.5	54%	0.535	57%	0.569	S	S	.	*			trans	-67.3	118.8	173.9	-90.8	-46.1	0	0	0	111.7	Q249	D247-Q249 PolarHBondContact O-N 3.21Å
248	S	57.3	Low	64.1	Low	121 Å²	121	114.1 Å²	114.1	85%	0.846	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-4	177.2	-59.9	0	0	0	0	113.8	K246	K246-S248 PolarHBondContact O-N 2.82Å
249	Q	44.5	Very low	61.7	Low	185 Å²	185	119.1 Å²	119.1	86%	0.864	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-9.3	-176.9	-68.4	-164	-2.9	0	0	114.8	D247 S251	D247-Q249 PolarHBondContact O-N 3.21Å; Q249-S251 PolarHBondContact O-N 2.88Å
250	R	40.7	Very low	58.8	Low	214 Å²	214	124.7 Å²	124.7	81%	0.808	62%	0.623	S	S	*	*			trans	-81.8	89.3	173.2	-161.1	172.2	-169.9	174.4	2	109.3
251	S	35.7	Very low	55.8	Low	88 Å²	88	129 Å²	129	62%	0.615	65%	0.645	S	S	*	*			trans	-53.8	145.2	164.6	47.3	0	0	0	0	110	Q249 T253	Q249-S251 PolarHBondContact O-N 2.88Å; S251-T253 VanDerWaalsContact C-N 3.3Å; S251-T253 PolarHBondContact O-N 3.14Å
252	E	33.9	Very low	52.7	Low	198 Å²	198	130 Å²	130	93%	0.925	66%	0.657	S	S	*	*			trans	-69.5	88.1	175.2	-66.9	177.1	150.8	0	0	109.3	E254	E252-E254 PolarHBondContact O-N 3.48Å
253	T	32.1	Very low	49.5	Very low	99 Å²	99	135.2 Å²	135.2	61%	0.607	68%	0.679	S	S	*	*			trans	-75	117.1	167.7	50.4	0	0	0	0	108.8	S251 D255	S251-T253 VanDerWaalsContact C-N 3.3Å; S251-T253 PolarHBondContact O-N 3.14Å; T253-D255 PolarHBondContact O-N 3.26Å
254	E	41.3	Very low	46.6	Very low	197 Å²	197	141 Å²	141	92%	0.921	71%	0.713	S	S	*	*	S	Bend	trans	-70.6	48.8	-179.6	-60.5	-176.3	115	0	0	113.4	E252	E252-E254 PolarHBondContact O-N 3.48Å
255	D	38.8	Very low	43.6	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	75%	0.752	S	S	*	*			trans	-142.8	65.9	-172.4	-150.4	-0.9	0	0	0	114.2	T253	T253-D255 PolarHBondContact O-N 3.26Å
256	M	33.7	Very low	40.9	Very low	175 Å²	175	152.1 Å²	152.1	86%	0.862	78%	0.782	S	S	*	*			trans	-141.2	55.1	155.1	-86.2	-76.9	83.5	0	0	108.6
257	N	40.8	Very low	38.4	Very low	147 Å²	147	151.4 Å²	151.4	79%	0.786	79%	0.794	S	S	*	*			trans	-118.6	36.5	-177.1	-122.4	-15.5	0	0	0	111.9
258	E	34.1	Very low	36.8	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	81%	0.811	S	S	*	*			trans	-101.5	105.8	173.7	-169.1	158.2	-137.9	0	0	110.3
259	V	37.2	Very low	35.6	Very low	122 Å²	122	158.4 Å²	158.4	74%	0.739	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-104	122	176.8	177.1	0	0	0	0	108.9
260	E	34.6	Very low	35	Very low	188 Å²	188	156 Å²	156	88%	0.879	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.3	134.6	177.6	-165.4	172.9	-175.8	0	0	111.3	P262	E260-P262 WeakPolarHBondContact O-CD 3.42Å
261	K	32.9	Very low	34.5	Very low	194 Å²	194	151.4 Å²	151.4	84%	0.843	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-95.4	130.9	-167.1	-69.5	173.9	-179.3	163.6	0	114
262	P	30.1	Very low	34.2	Very low	119 Å²	119	152.3 Å²	152.3	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.5	158.7	142.9	-17.1	33.6	0	0	0	112.4	E260	E260-P262 WeakPolarHBondContact O-CD 3.42Å
263	Q	31.6	Very low	34.1	Very low	194 Å²	194	151.8 Å²	151.8	91%	0.907	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.7	164.3	-176.9	-67.5	-175.4	-10.7	0	0	114
264	V	37.4	Very low	34.2	Very low	121 Å²	121	152.6 Å²	152.6	73%	0.733	81%	0.814	S	S	*	*			trans	-119.9	127.3	-175	175.4	0	0	0	0	111.9
265	P	32.9	Very low	33.9	Very low	125 Å²	125	148.2 Å²	148.2	81%	0.812	81%	0.805	S	S	*	*			trans	-79.8	140.1	160.9	-12.4	29.8	0	0	0	111.9
266	L	36.5	Very low	33.8	Very low	161 Å²	161	148 Å²	148	84%	0.843	81%	0.811	S	S	*	*			trans	-96.2	153.6	-173.7	-72.2	165.3	0	0	0	114
267	S	31.9	Very low	33.5	Very low	116 Å²	116	150.9 Å²	150.9	81%	0.811	81%	0.812	S	S	*	*			trans	-158	159.2	156.2	-89.6	0	0	0	0	112.9
268	P	35.7	Very low	34	Very low	136 Å²	136	148.2 Å²	148.2	88%	0.883	80%	0.802	S	S	*	*			trans	-96.5	-173.6	-145.3	-10.6	31.5	0	0	0	118.1
269	R	32.2	Very low	34.3	Very low	232 Å²	232	145.1 Å²	145.1	88%	0.875	80%	0.799	S	S	*	*			trans	-133	131.3	-160.9	170.2	-158.1	-173.8	-157.1	8.1	113.2
270	T	31.8	Very low	33.8	Very low	133 Å²	133	150.8 Å²	150.8	82%	0.816	81%	0.807	S	S	*	*			trans	-159	146.5	165.4	38.9	0	0	0	0	109.8
271	T	30	Very low	33.7	Very low	118 Å²	118	151 Å²	151	72%	0.724	81%	0.805	S	S	*	*			cis	179.9	147.5	-31.6	20.1	0	0	0	0	106
272	S	29.4	Very low	33.9	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	80%	0.803	S	S	*	*			trans	-40.7	168.4	176.8	61.9	0	0	0	0	118.3
273	K	30.7	Very low	33.7	Very low	188 Å²	188	146.3 Å²	146.3	82%	0.817	80%	0.802	S	S	*	*			cis	-171.5	-145.8	37.8	-145.8	-175.2	178.7	177.4	0	110.9
274	P	35.8	Very low	33.7	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	80%	0.798	S	S	*	*				-101.1	-171.8	-87.9	28.5	-7.6	0	0	0	116.6
275	S	34.3	Very low	33.5	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	80%	0.8	S	S	*	*			trans	-121.9	159.8	174.2	152.2	0	0	0	0	112.8
276	P	35.5	Very low	33.4	Very low	127 Å²	127	146.7 Å²	146.7	83%	0.825	80%	0.803	S	S	*	*			trans	-126.4	-178.9	149.8	35.9	-22.6	0	0	0	114.4
277	R	28.4	Very low	33.2	Very low	234 Å²	234	147.9 Å²	147.9	88%	0.883	80%	0.802	S	S	*	*			trans	-144.1	-159.3	-166.5	-150.9	-160.6	172.8	-143.1	3	113.5
278	P	51.5	Low	32.9	Very low	91 Å²	91	149.3 Å²	149.3	59%	0.591	81%	0.806	S	S	*	*				-110.9	-177.7	-120.2	43.7	-27.3	0	0	0	116.4
279	P	39.4	Very low	32.6	Very low	122 Å²	122	147.3 Å²	147.3	79%	0.792	80%	0.8	S	S	*	*				-147	-171.1	114.8	43.3	-28.4	0	0	0	112.1
280	R	28.3	Very low	32.5	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	80%	0.798	S	S	*	*			cis	-152.5	-152.9	-12.8	-130.9	176.6	-170.9	-157.3	1.9	110.1
281	K	30.8	Very low	32.5	Very low	192 Å²	192	142.3 Å²	142.3	84%	0.835	80%	0.798	S	S	*	*			trans	-144.8	159.3	165.9	-71	-173.4	178	-179.6	0	109.7
282	P	36.9	Very low	32.4	Very low	124 Å²	124	147.6 Å²	147.6	81%	0.805	81%	0.805	S	S	*	*				-144.6	151.6	94.8	31.3	-10.7	0	0	0	114.4
283	A	27.6	Very low	32.5	Very low	91 Å²	91	149 Å²	149	75%	0.752	81%	0.809	S	S	*	*				68.2	152.1	92.6	0	0	0	0	0	115.8
284	T	31.6	Very low	32.6	Very low	135 Å²	135	145.6 Å²	145.6	83%	0.828	81%	0.809	S	S	*	*			cis	-139.9	-104.3	14	-47.5	0	0	0	0	115
285	K	31.8	Very low	32.6	Very low	177 Å²	177	145 Å²	145	77%	0.77	81%	0.807	S	S	*	*			trans	-158.4	163.9	-175.7	-70	-173.8	-178.9	170.6	0	111
286	P	32.4	Very low	32.5	Very low	136 Å²	136	146.1 Å²	146.1	88%	0.883	81%	0.812	S	S	*	*				-130.2	-169.4	100.1	7	15.9	0	0	0	115
287	K	30.4	Very low	32.6	Very low	186 Å²	186	149.5 Å²	149.5	81%	0.809	81%	0.814	S	S	*	*			trans	-127.5	147.8	179.1	-56	171.1	178.5	174.5	0	111.8
288	T	27.5	Very low	32.8	Very low	145 Å²	145	144 Å²	144	89%	0.89	81%	0.806	S	S	*	*			trans	-155.7	151.8	146.9	-16.1	0	0	0	0	113.6
289	A	29.3	Very low	32.3	Very low	94 Å²	94	145.5 Å²	145.5	78%	0.777	82%	0.816	S	S	*	*			trans	50.9	124.4	154.5	0	0	0	0	0	122.4
290	T	29.7	Very low	33.2	Very low	133 Å²	133	145.2 Å²	145.2	82%	0.816	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-99.4	147.7	161.7	49.5	0	0	0	0	111.8
291	P	30.7	Very low	35.1	Very low	127 Å²	127	136.9 Å²	136.9	83%	0.825	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-101.1	171.8	134.9	-17.2	34	0	0	0	113.2
292	R	28.5	Very low	37.4	Very low	229 Å²	229	131 Å²	131	86%	0.864	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-92.5	159.3	-172.7	-69.1	-179	171.8	-172.3	-1.9	113.9
293	T	32.1	Very low	39.8	Very low	138 Å²	138	128.7 Å²	128.7	85%	0.847	74%	0.739	S	S	*	*			trans	53.3	98.7	149.9	45.1	0	0	0	0	119.3
294	S	32.8	Very low	42.6	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	71%	0.705	S	S	*	*				-138.7	160.3	122.4	55	0	0	0	0	109.3
295	S	34.3	Very low	45.4	Very low	102 Å²	102	119 Å²	119	71%	0.713	67%	0.672	S	S	*	*			trans	-66.9	152.7	-175.9	33.9	0	0	0	0	112.2	K297	S295-K297 PolarHBondContact O-N 2.81Å
296	P	34.2	Very low	48	Very low	128 Å²	128	113.3 Å²	113.3	83%	0.831	65%	0.648	S	S	*	*			trans	-64.5	107.3	-175.2	-20.4	32.8	0	0	0	111.7	T298	P296-T298 PolarHBondContact O-N 3.25Å; P296-T298 VanDerWaalsContact O-N 3.07Å
297	K	35.7	Very low	50.8	Low	199 Å²	199	112.1 Å²	112.1	87%	0.865	63%	0.634	S	S	*	*			trans	-62.7	108.5	161.1	-69.7	-175.3	179.2	-178.8	0	107.5	S295	S295-K297 PolarHBondContact O-N 2.81Å
298	T	33.5	Very low	53.6	Low	117 Å²	117	104.1 Å²	104.1	72%	0.718	60%	0.6	S	S	*	*			trans	-57.5	131.4	167.2	43.3	0	0	0	0	108.7	P296 D300	P296-T298 PolarHBondContact O-N 3.25Å; P296-T298 VanDerWaalsContact O-N 3.07Å; T298-D300 PolarHBondContact O-N 3.02Å
299	P	40.5	Very low	56.7	Low	123 Å²	123	104.5 Å²	104.5	80%	0.799	59%	0.589	S	S	*	*			trans	-63	129.8	176.5	26	-33.1	0	0	0	109.7	N301	P299-N301 PolarHBondContact O-N 3.17Å
300	D	58.4	Low	59.8	Low	117 Å²	117	100.6 Å²	100.6	63%	0.626	56%	0.556	S	S	*	*			trans	-66.5	93.2	176.5	-87.4	-69.6	0	0	0	110.3	T298 P302 R509	T298-D300 PolarHBondContact O-N 3.02Å; D300-P302 WeakPolarHBondContact O-CD 3.47Å; D300-R509 IonicContact OD1-CZ 2.77Å; D300-R509 VanDerWaalsContact OD1-CZ 3.22Å; D300-R509 IonicContact OD1-NH1 3.62Å; D300-R509 PolarHBondContact OD1-NH1 3.36Å; D300-R509 IonicContact OD1-NH2 2.74Å; D300-R509 PolarHBondContact OD1-NH2 2.96Å
301	N	68.4	Low	62.7	Low	65 Å²	65	98.5 Å²	98.5	35%	0.348	54%	0.537	S	S	.	.			trans	-65.8	119.8	167	-173.2	30	0	0	0	108.5	P299 Y303 H306	P299-N301 PolarHBondContact O-N 3.17Å; N301-Y303 PolarHBondContact ND2-O 3.23Å; N301-Y303 PolarHBondContact O-N 2.74Å; N301-H306 PolarHBondContact ND2-CE1 2.8Å
302	P	79.6	Confident	65.5	Low	70 Å²	70	93.3 Å²	93.3	46%	0.455	50%	0.503	S	S	.	.	S	Bend	trans	-77.9	0.4	-177.7	30.9	-33.8	0	0	0	113.5	D300 F511 A512	D300-P302 WeakPolarHBondContact O-CD 3.47Å; P302-F511 WeakPolarHBondContact O-CA 2.99Å; P302-F511 WeakPolarHBondContact O-CB 3.45Å; P302-A512 PolarHBondContact O-N 3.15Å
303	Y	87.1	Confident	68.5	Low	74 Å²	74	87.5 Å²	87.5	29%	0.29	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-113.6	137.8	-179.8	-53	-75.4	0	0	0	110.8	N301 A512 K514	N301-Y303 PolarHBondContact ND2-O 3.23Å; N301-Y303 PolarHBondContact O-N 2.74Å; Y303-A512 HydrophobicContact CD1-CB 4.15Å; Y303-A512 VanDerWaalsContact CD1-O 3.27Å; Y303-A512 WeakPolarHBondContact CD1-O 3.25Å; Y303-A512 HydrophobicContact CE1-CB 3.92Å; Y303-K514 HydrophobicContact CD1-CD 4.45Å; Y303-K514 HydrophobicContact CD1-CG 3.64Å; Y303-K514 HydrophobicContact CE1-CD 4.17Å; Y303-K514 HydrophobicContact CE1-CG 3.33Å; Y303-K514 HydrophobicContact CE2-CD 4.47Å; Y303-K514 HydrophobicContact CE2-CG 4.46Å; Y303-K514 HydrophobicContact CG-CG 4.36Å
304	L	87.2	Confident	71.1	Confident	7 Å²	7	81 Å²	81	4%	0.037	44%	0.441	C	S	.	.	S	Bend	trans	-82.1	-43.4	172.7	-173.6	61.6	0	0	0	111	H306 R325 D477 L479 F511	L304-H306 PolarHBondContact O-CD2 3.09Å; L304-H306 PolarHBondContact O-NE2 2.92Å; L304-R325 HydrophobicContact CG-CB 4.11Å; L304-D477 HydrophobicContact CB-CB 3.76Å; L304-D477 HydrophobicContact CD2-CB 4.06Å; L304-L479 HydrophobicContact CD1-CB 4.26Å; L304-L479 HydrophobicContact CD1-CD1 4.35Å; L304-L479 HydrophobicContact CD1-CD2 4.39Å; L304-L479 HydrophobicContact CD2-CB 4.39Å; L304-F511 HydrophobicContact CB-CB 3.81Å; L304-F511 HydrophobicContact CB-CD1 4.36Å; L304-F511 HydrophobicContact CB-CD2 3.82Å; L304-F511 HydrophobicContact CB-CG 3.74Å; L304-F511 HydrophobicContact CD1-CD2 4.16Å; L304-F511 HydrophobicContact CD1-CE2 4.02Å; L304-F511 HydrophobicContact CD1-CZ 4.38Å; L304-F511 HydrophobicContact CD2-CD2 4.48Å; L304-F511 HydrophobicContact CG-CD2 4.37Å
305	A	88.6	Confident	73.3	Confident	16 Å²	16	83.8 Å²	83.8	13%	0.132	43%	0.434	C	S	.	.	S	Bend	trans	-72.6	124.3	176.9	0	0	0	0	0	112	R325 L367	A305-R325 HydrophobicContact CB-CG 3.85Å; A305-L367 HydrophobicContact CB-CD2 3.87Å
306	H	87.4	Confident	75	Confident	58 Å²	58	83.3 Å²	83.3	27%	0.269	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.3	174.7	-60.9	-102.1	0	0	0	110.8	N301 L304 I308 T322 R325 H326 N327	N301-H306 PolarHBondContact ND2-CE1 2.8Å; L304-H306 PolarHBondContact O-CD2 3.09Å; L304-H306 PolarHBondContact O-NE2 2.92Å; H306-I308 PolarHBondContact O-N 2.94Å; H306-T322 PolarHBondContact NE2-O 3.17Å; H306-R325 PolarHBondContact N-O 2.82Å; H306-H326 WeakPolarHBondContact O-CA 3.14Å; H306-N327 PolarHBondContact O-N 2.8Å
307	N	90.1	Very high	76.4	Confident	110 Å²	110	84.5 Å²	84.5	59%	0.588	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	124.8	169.7	-67.9	10.1	0	0	0	109.9	N327	N307-N327 WeakPolarHBondContact OD1-CB 3.47Å; N307-N327 PolarHBondContact OD1-ND2 3.43Å
308	I	90.7	Very high	77.7	Confident	19 Å²	19	75.7 Å²	75.7	10%	0.097	38%	0.378	C	S	.	.			trans	-122.6	169.6	-178	54.6	167.3	0	0	0	112.1	H306 T312 H326 N327 P329 I351 C352	H306-I308 PolarHBondContact O-N 2.94Å; I308-T312 HydrophobicContact CB-CG2 4.17Å; I308-T312 HydrophobicContact CG2-CG2 4.03Å; I308-H326 HydrophobicContact CD1-CB 3.78Å; I308-H326 HydrophobicContact CG1-CB 4.21Å; I308-N327 WeakPolarHBondContact CG1-O 3.34Å; I308-N327 PolarHBondContact N-O 3.41Å; I308-N327 VanDerWaalsContact N-O 3.11Å; I308-P329 VanDerWaalsContact O-CD 3.32Å; I308-P329 WeakPolarHBondContact O-CD 3.34Å; I308-I351 HydrophobicContact CD1-CB 3.95Å; I308-I351 HydrophobicContact CD1-CD1 4.14Å; I308-I351 HydrophobicContact CD1-CG2 4.14Å; I308-C352 VanDerWaalsContact CD1-SG 3.52Å
309	K	92.6	Very high	78.7	Confident	153 Å²	153	79.8 Å²	79.8	67%	0.665	39%	0.386	S	S	*	.			trans	-94.3	156.3	168.3	-63.4	-172.2	175.4	-170	0	110.3	E311 T312	K309-E311 PolarHBondContact O-N 3.5Å; K309-E311 VanDerWaalsContact O-N 3.12Å; K309-T312 PolarHBondContact N-OG1 3.27Å; K309-T312 WeakPolarHBondContact O-CB 3.46Å; K309-T312 PolarHBondContact O-N 3.17Å; K309-T312 PolarHBondContact O-OG1 2.73Å
310	C	93.1	Very high	79.5	Confident	11 Å²	11	76.7 Å²	76.7	7%	0.074	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.7	177.9	-59.5	0	0	0	0	114.1	T312 C332 T335 S350	C310-T312 VanDerWaalsContact C-N 3.28Å; C310-T312 PolarHBondContact O-N 3.34Å; C310-C332 WeakPolarHBondContact CA-SG 3.3Å; C310-C332 HydrophobicContact CB-CB 3.65Å; C310-C332 WeakPolarHBondContact CB-SG 3.34Å; C310-C332 WeakPolarHBondContact SG-CA 3.42Å; C310-C332 WeakPolarHBondContact SG-CB 3.23Å; C310-C332 CovalentContact SG-SG 2.04Å; C310-C332 PolarHBondContact SG-SG 2.89Å; C310-T335 HydrophobicContact CB-CG2 3.65Å; C310-T335 WeakPolarHBondContact CB-OG1 3.02Å; C310-S350 WeakPolarHBondContact O-CB 3.49Å; C310-S350 PolarHBondContact O-OG 3.03Å
311	E	90.5	Very high	79.2	Confident	89 Å²	89	74.1 Å²	74.1	42%	0.416	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.5	179.4	-55.9	72.3	-155.9	0	0	113.6	K309 R313	K309-E311 PolarHBondContact O-N 3.5Å; K309-E311 VanDerWaalsContact O-N 3.12Å; E311-R313 PolarHBondContact O-N 2.85Å
312	T	91.1	Very high	78.8	Confident	19 Å²	19	74.1 Å²	74.1	12%	0.117	37%	0.374	C	S	.	.			trans	-68	123.4	-171.2	-49.6	0	0	0	0	111.2	I308 K309 C310 K317 S350 I351	I308-T312 HydrophobicContact CB-CG2 4.17Å; I308-T312 HydrophobicContact CG2-CG2 4.03Å; K309-T312 PolarHBondContact N-OG1 3.27Å; K309-T312 WeakPolarHBondContact O-CB 3.46Å; K309-T312 PolarHBondContact O-N 3.17Å; K309-T312 PolarHBondContact O-OG1 2.73Å; C310-T312 VanDerWaalsContact C-N 3.28Å; C310-T312 PolarHBondContact O-N 3.34Å; T312-K317 HydrophobicContact CG2-CG 3.86Å; T312-S350 WeakPolarHBondContact O-CA 3.31Å; T312-I351 PolarHBondContact O-N 2.9Å
313	R	91.1	Very high	78.3	Confident	107 Å²	107	71.3 Å²	71.3	40%	0.404	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-98.1	152.2	177.5	-47.2	163.5	179.1	150.3	1.2	111.2	E311 R315 D316 Q348 S349	E311-R313 PolarHBondContact O-N 2.85Å; R313-R315 PolarHBondContact O-N 3.44Å; R313-R315 VanDerWaalsContact O-N 3.16Å; R313-D316 VanDerWaalsContact CB-OD2 3.26Å; R313-D316 WeakPolarHBondContact CB-OD2 3.16Å; R313-D316 WeakPolarHBondContact CD-OD2 3.38Å; R313-D316 VanDerWaalsContact CG-OD2 3.29Å; R313-D316 WeakPolarHBondContact CG-OD2 3.31Å; R313-D316 PolarHBondContact N-OD2 3.32Å; R313-D316 PolarHBondContact O-N 3.41Å; R313-Q348 WeakPolarHBondContact CD-O 3.41Å; R313-Q348 WeakPolarHBondContact CG-O 3.43Å; R313-Q348 PolarHBondContact NE-O 3.25Å; R313-S349 VanDerWaalsContact CA-O 3.25Å; R313-S349 WeakPolarHBondContact CA-O 3.23Å; R313-S349 WeakPolarHBondContact CB-O 3.28Å
314	L	85.6	Confident	78	Confident	2 Å²	2	69 Å²	69	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-22.5	178.6	-170.8	61.1	0	0	0	113.4	C318 V347 I351 V370 R372 F399	L314-C318 HydrophobicContact CD1-CB 3.99Å; L314-C318 WeakPolarHBondContact O-CB 3.45Å; L314-V347 HydrophobicContact CD2-CG1 4.28Å; L314-V347 PolarHBondContact N-O 2.77Å; L314-I351 HydrophobicContact CB-CD1 4.24Å; L314-I351 HydrophobicContact CB-CG1 4.21Å; L314-I351 HydrophobicContact CD1-CD1 4.11Å; L314-V370 HydrophobicContact CD1-CG1 3.89Å; L314-V370 HydrophobicContact CD2-CG1 3.5Å; L314-V370 HydrophobicContact CG-CG1 4.33Å; L314-R372 HydrophobicContact CD2-CG 4.15Å; L314-R372 PolarHBondContact O-NH2 3.18Å; L314-R372 VanDerWaalsContact O-NH2 3.13Å; L314-F399 HydrophobicContact CB-CD1 4.09Å; L314-F399 HydrophobicContact CB-CE1 3.96Å; L314-F399 HydrophobicContact CB-CZ 4.43Å; L314-F399 HydrophobicContact CD2-CB 3.42Å; L314-F399 VanDerWaalsContact CD2-CB 3.42Å; L314-F399 HydrophobicContact CD2-CD1 3.51Å; L314-F399 HydrophobicContact CD2-CD2 4.1Å; L314-F399 HydrophobicContact CD2-CE1 4.2Å; L314-F399 HydrophobicContact CD2-CG 3.43Å; L314-F399 VanDerWaalsContact CD2-CG 3.43Å; L314-F399 HydrophobicContact CG-CD1 4.46Å
315	R	79.4	Confident	78.2	Confident	173 Å²	173	68.9 Å²	68.9	65%	0.653	35%	0.348	S	S	*	.	H	α-helix	trans	-71.8	-28.9	170.9	-173.7	170.9	178.8	168.5	-0.2	113.7	R313 V347	R313-R315 PolarHBondContact O-N 3.44Å; R313-R315 VanDerWaalsContact O-N 3.16Å; R315-V347 HydrophobicContact CB-CB 4.36Å; R315-V347 HydrophobicContact CB-CG2 4.46Å; R315-V347 WeakPolarHBondContact CB-O 3.37Å; R315-V347 PolarHBondContact N-O 3.07Å
316	D	70	Confident	78.3	Confident	92 Å²	92	68.3 Å²	68.3	49%	0.492	34%	0.343	S	S	.	.	H	α-helix	trans	-82.7	-20.1	-164.8	-57.5	-20.8	0	0	0	113.5	R313	R313-D316 VanDerWaalsContact CB-OD2 3.26Å; R313-D316 WeakPolarHBondContact CB-OD2 3.16Å; R313-D316 WeakPolarHBondContact CD-OD2 3.38Å; R313-D316 VanDerWaalsContact CG-OD2 3.29Å; R313-D316 WeakPolarHBondContact CG-OD2 3.31Å; R313-D316 PolarHBondContact N-OD2 3.32Å; R313-D316 PolarHBondContact O-N 3.41Å
317	K	63.6	Low	78.6	Confident	154 Å²	154	68.1 Å²	68.1	67%	0.67	34%	0.344	S	S	*	.	H	α-helix	trans	-121.3	-24.8	-170.4	-85.6	-78.4	-176.8	166.7	0	115.8	T312	T312-K317 HydrophobicContact CG2-CG 3.86Å
318	C	63	Low	78.8	Confident	13 Å²	13	63 Å²	63	9%	0.088	32%	0.317	C	S	.	.			trans	-119.5	108.6	-143.9	-162.9	0	0	0	0	116.1	L314 C323 R372	L314-C318 HydrophobicContact CD1-CB 3.99Å; L314-C318 WeakPolarHBondContact O-CB 3.45Å; C318-C323 WeakPolarHBondContact CA-SG 3.39Å; C318-C323 HydrophobicContact CB-CB 4.43Å; C318-C323 WeakPolarHBondContact CB-SG 3.34Å; C318-C323 WeakPolarHBondContact SG-CB 3.41Å; C318-C323 PolarHBondContact SG-O 3Å; C318-C323 VanDerWaalsContact SG-O 3.33Å; C318-C323 CovalentContact SG-SG 2.04Å; C318-C323 PolarHBondContact SG-SG 2.82Å; C318-R372 PolarHBondContact O-NH2 3.17Å
319	K	54.3	Low	79	Confident	203 Å²	203	64.8 Å²	64.8	88%	0.883	33%	0.33	S	S	*	.			trans	-134.5	132.7	168.6	-65.1	-176.1	179.2	-176.6	0	109.5
320	G	57	Low	79.1	Confident	59 Å²	59	59.8 Å²	59.8	61%	0.608	32%	0.316	S	S	*	.	S	Bend	trans	95.7	164.8	-178.8	0	0	0	0	0	114	C323	G320-C323 WeakPolarHBondContact O-CB 2.96Å
321	A	53.1	Low	79.2	Confident	63 Å²	63	64.8 Å²	64.8	52%	0.521	34%	0.342	S	S	.	.	S	Bend	trans	-78.5	-19.1	-170.3	0	0	0	0	0	115.1	C323	A321-C323 PolarHBondContact O-N 2.88Å
322	T	59.3	Low	79.4	Confident	64 Å²	64	60.6 Å²	60.6	39%	0.393	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	25.9	179.1	49.8	0	0	0	0	113.2	H306 L479 F511	H306-T322 PolarHBondContact NE2-O 3.17Å; T322-L479 HydrophobicContact CG2-CD2 3.77Å; T322-F511 HydrophobicContact CG2-CZ 3.97Å
323	C	69.3	Low	79.3	Confident	11 Å²	11	61.7 Å²	61.7	7%	0.074	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	13.4	-164.8	-172.3	0	0	0	0	113	C318 G320 A321 H326	C318-C323 WeakPolarHBondContact CA-SG 3.39Å; C318-C323 HydrophobicContact CB-CB 4.43Å; C318-C323 WeakPolarHBondContact CB-SG 3.34Å; C318-C323 WeakPolarHBondContact SG-CB 3.41Å; C318-C323 PolarHBondContact SG-O 3Å; C318-C323 VanDerWaalsContact SG-O 3.33Å; C318-C323 CovalentContact SG-SG 2.04Å; C318-C323 PolarHBondContact SG-SG 2.82Å; G320-C323 WeakPolarHBondContact O-CB 2.96Å; A321-C323 PolarHBondContact O-N 2.88Å; C323-H326 PolarHBondContact O-CE1 2.99Å; C323-H326 PolarHBondContact O-NE2 3.03Å
324	N	81.6	Confident	78.9	Confident	27 Å²	27	63.7 Å²	63.7	14%	0.144	35%	0.347	C	S	.	.	S	Bend	trans	-84.7	-31.2	-177.1	-61.8	1.1	0	0	0	112.5	D369 V370	N324-D369 CarbonylContact O-C 3.55Å; N324-D369 WeakPolarHBondContact O-CA 3.28Å; N324-V370 PolarHBondContact O-N 3.04Å
325	R	90.3	Very high	78.7	Confident	3 Å²	3	64.8 Å²	64.8	1%	0.011	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.6	-177.4	-169.5	160.6	-71.7	-175.6	-3.3	112.5	L304 A305 H306 L367 D369 V404 C428 D477	L304-R325 HydrophobicContact CG-CB 4.11Å; A305-R325 HydrophobicContact CB-CG 3.85Å; H306-R325 PolarHBondContact N-O 2.82Å; R325-L367 HydrophobicContact CG-CD2 4.39Å; R325-D369 VanDerWaalsContact CA-OD1 3.27Å; R325-D369 WeakPolarHBondContact CA-OD1 3.14Å; R325-D369 WeakPolarHBondContact CB-OD1 3Å; R325-D369 VanDerWaalsContact CG-OD1 3.26Å; R325-D369 WeakPolarHBondContact CG-OD1 3.32Å; R325-D369 IonicContact CZ-OD1 3.97Å; R325-D369 IonicContact CZ-OD2 2.92Å; R325-D369 IonicContact NE-OD1 2.8Å; R325-D369 PolarHBondContact NE-OD1 3Å; R325-D369 IonicContact NE-OD2 3.88Å; R325-D369 IonicContact NH2-OD1 3.84Å; R325-D369 IonicContact NH2-OD2 3.44Å; R325-D369 PolarHBondContact NH2-OD2 2.95Å; R325-V404 HydrophobicContact CG-CG2 4.33Å; R325-V404 VanDerWaalsContact CZ-CG1 3.5Å; R325-C428 PolarHBondContact NH2-O 2.83Å; R325-D477 IonicContact CZ-OD1 3.55Å; R325-D477 IonicContact NH1-OD1 3.63Å; R325-D477 PolarHBondContact NH1-OD1 3.44Å
326	H	91.7	Very high	78.7	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.019	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.7	178.1	-62.7	-52.5	0	0	0	111.8	H306 I308 C323 L367 V368	H306-H326 WeakPolarHBondContact O-CA 3.14Å; I308-H326 HydrophobicContact CD1-CB 3.78Å; I308-H326 HydrophobicContact CG1-CB 4.21Å; C323-H326 PolarHBondContact O-CE1 2.99Å; C323-H326 PolarHBondContact O-NE2 3.03Å; H326-L367 WeakPolarHBondContact O-CA 3.47Å; H326-V368 PolarHBondContact N-O 3.35Å; H326-V368 PolarHBondContact O-N 3.43Å
327	N	93.1	Very high	79.1	Confident	54 Å²	54	61.9 Å²	61.9	29%	0.289	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114	172.1	-176.5	17.4	0	0	0	108.9	H306 N307 I308 L367	H306-N327 PolarHBondContact O-N 2.8Å; N307-N327 WeakPolarHBondContact OD1-CB 3.47Å; N307-N327 PolarHBondContact OD1-ND2 3.43Å; I308-N327 WeakPolarHBondContact CG1-O 3.34Å; I308-N327 PolarHBondContact N-O 3.41Å; I308-N327 VanDerWaalsContact N-O 3.11Å; N327-L367 HydrophobicContact CB-CD2 3.84Å
328	C	94.5	Very high	80.4	Confident	3 Å²	3	60 Å²	60	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.4	-178.6	-78.3	0	0	0	0	110.8	C352 I361 G365 G366	C328-C352 VanDerWaalsContact CA-SG 3.58Å; C328-C352 HydrophobicContact CB-CB 3.76Å; C328-C352 WeakPolarHBondContact CB-SG 3.48Å; C328-C352 WeakPolarHBondContact SG-CA 3.41Å; C328-C352 WeakPolarHBondContact SG-CB 3.37Å; C328-C352 CovalentContact SG-SG 2.04Å; C328-C352 PolarHBondContact SG-SG 3.27Å; C328-I361 HydrophobicContact CB-CD1 3.76Å; C328-G365 CarbonylContact O-C 3.6Å; C328-G365 WeakPolarHBondContact O-CA 3.48Å; C328-G366 PolarHBondContact N-O 3.02Å; C328-G366 PolarHBondContact O-N 2.88Å
329	P	95.3	Very high	82	Confident	57 Å²	57	59.4 Å²	59.4	37%	0.37	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-74.5	164.1	174.8	32.5	-34.5	0	0	0	111.2	I308 C332	I308-P329 VanDerWaalsContact O-CD 3.32Å; I308-P329 WeakPolarHBondContact O-CD 3.34Å; P329-C332 PolarHBondContact O-SG 2.86Å
330	A	94.7	Very high	83.8	Confident	47 Å²	47	52.6 Å²	52.6	39%	0.388	30%	0.299	S	S	.	.	S	Bend	trans	-62.1	164.8	170.1	0	0	0	0	0	112.8	C332 N363 N364	A330-C332 VanDerWaalsContact C-N 3.33Å; A330-C332 PolarHBondContact O-N 2.77Å; A330-N363 CarbonylContact C-O 3.57Å; A330-N363 VanDerWaalsContact CA-O 3.3Å; A330-N363 WeakPolarHBondContact CA-O 3.1Å; A330-N364 WeakPolarHBondContact CA-O 3.22Å; A330-N364 WeakPolarHBondContact CB-O 3.39Å; A330-N364 PolarHBondContact N-O 3.43Å
331	N	94.4	Very high	85.3	Confident	116 Å²	116	49.8 Å²	49.8	62%	0.62	27%	0.27	S	S	*	.			trans	65.1	26.7	174.3	-64.1	-58.1	0	0	0	115.6	T335 N363	N331-T335 WeakPolarHBondContact O-CG2 2.98Å; N331-N363 VanDerWaalsContact C-OD1 3.29Å; N331-N363 WeakPolarHBondContact CA-OD1 3.34Å; N331-N363 PolarHBondContact N-O 2.75Å; N331-N363 PolarHBondContact N-OD1 2.91Å; N331-N363 PolarHBondContact OD1-ND2 3.45Å; N331-N363 VanDerWaalsContact OD1-ND2 3.09Å
332	C	94.3	Very high	87.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.007	26%	0.257	C	S	.	.			trans	-74.2	-18.2	176.6	-69	0	0	0	0	115.1	C310 P329 A330 N334 T335 C352 R353 I356 N363	C310-C332 WeakPolarHBondContact CA-SG 3.3Å; C310-C332 HydrophobicContact CB-CB 3.65Å; C310-C332 WeakPolarHBondContact CB-SG 3.34Å; C310-C332 WeakPolarHBondContact SG-CA 3.42Å; C310-C332 WeakPolarHBondContact SG-CB 3.23Å; C310-C332 CovalentContact SG-SG 2.04Å; C310-C332 PolarHBondContact SG-SG 2.89Å; P329-C332 PolarHBondContact O-SG 2.86Å; A330-C332 VanDerWaalsContact C-N 3.33Å; A330-C332 PolarHBondContact O-N 2.77Å; C332-N334 PolarHBondContact O-N 2.83Å; C332-T335 WeakPolarHBondContact O-CB 3.5Å; C332-T335 PolarHBondContact O-N 3.37Å; C332-T335 PolarHBondContact O-OG1 3.43Å; C332-C352 HydrophobicContact CB-CB 4.04Å; C332-R353 WeakPolarHBondContact O-CD 3.31Å; C332-R353 WeakPolarHBondContact O-CG 3.42Å; C332-I356 HydrophobicContact CB-CD1 3.85Å; C332-N363 PolarHBondContact N-OD1 2.71Å
333	L	90.3	Very high	88.4	Confident	42 Å²	42	50.4 Å²	50.4	22%	0.22	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-55.3	-175.1	-171.7	75.6	0	0	0	112.7	T335 I356 N363 V387	L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.33Å; L333-I356 HydrophobicContact CD1-CG2 3.88Å; L333-N363 HydrophobicContact CB-CB 4.37Å; L333-N363 WeakPolarHBondContact CB-OD1 3.45Å; L333-N363 PolarHBondContact N-OD1 2.98Å; L333-V387 HydrophobicContact CD1-CG2 3.66Å
334	N	81.4	Confident	89.5	Confident	150 Å²	150	51.2 Å²	51.2	80%	0.802	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	11.2	-172.6	-64	-18	0	0	0	113.8	C332	C332-N334 PolarHBondContact O-N 2.83Å
335	T	82.8	Confident	90.1	Very high	24 Å²	24	50 Å²	50	15%	0.147	27%	0.266	C	S	.	.	S	Bend	trans	-81.6	156.5	-176.3	64.8	0	0	0	0	112.8	C310 N331 C332 L333 G337 R353	C310-T335 HydrophobicContact CB-CG2 3.65Å; C310-T335 WeakPolarHBondContact CB-OG1 3.02Å; N331-T335 WeakPolarHBondContact O-CG2 2.98Å; C332-T335 WeakPolarHBondContact O-CB 3.5Å; C332-T335 PolarHBondContact O-N 3.37Å; C332-T335 PolarHBondContact O-OG1 3.43Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.33Å; T335-G337 PolarHBondContact O-N 2.91Å; T335-R353 PolarHBondContact O-NH1 2.87Å
336	K	78.1	Confident	90.3	Very high	201 Å²	201	50 Å²	50	87%	0.874	27%	0.266	S	S	*	.	S	Bend	trans	-72.1	8.2	-174	-59.1	-172.4	-179.5	-176	0	114.6	K338	K336-K338 PolarHBondContact O-N 3.43Å
337	G	79.9	Confident	90.3	Very high	4 Å²	4	50.5 Å²	50.5	4%	0.041	27%	0.27	C	S	.	.			trans	-73.4	105	178.4	0	0	0	0	0	112.4	T335 R353	T335-G337 PolarHBondContact O-N 2.91Å; G337-R353 VanDerWaalsContact O-CD 3.26Å; G337-R353 WeakPolarHBondContact O-CD 3.34Å; G337-R353 PolarHBondContact O-NE 2.94Å; G337-R353 PolarHBondContact O-NH1 2.85Å
338	K	91.1	Very high	90.2	Very high	114 Å²	114	51.4 Å²	51.4	50%	0.496	27%	0.272	S	S	.	.			trans	-57.5	146.9	173.6	-65.8	-169.8	172.4	-161.9	0	111.5	K336 W340 S349 S350 L390	K336-K338 PolarHBondContact O-N 3.43Å; K338-W340 HydrophobicContact CD-CZ2 3.82Å; K338-S349 CarbonylContact O-C 3.35Å; K338-S349 VanDerWaalsContact O-CA 3.3Å; K338-S349 WeakPolarHBondContact O-CA 3.35Å; K338-S350 PolarHBondContact O-N 3.09Å; K338-L390 HydrophobicContact CB-CD1 4.31Å; K338-L390 HydrophobicContact CD-CD1 3.78Å; K338-L390 HydrophobicContact CG-CD1 4.17Å
339	V	95.1	Very high	90.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.271	C	S	.	.			trans	-121.6	139.7	168	-178.3	0	0	0	0	107.3	Y345 R353 A354 V387 S389 L390	V339-Y345 HydrophobicContact CG1-CD1 3.51Å; V339-Y345 HydrophobicContact CG1-CE1 3.79Å; V339-R353 HydrophobicContact CG2-CB 3.44Å; V339-R353 VanDerWaalsContact CG2-CB 3.44Å; V339-A354 HydrophobicContact CG1-CB 4.21Å; V339-V387 HydrophobicContact CG2-CG1 4.15Å; V339-S389 CarbonylContact O-C 3.55Å; V339-S389 WeakPolarHBondContact O-CA 3.44Å; V339-L390 PolarHBondContact O-N 3.15Å
340	W	93.2	Very high	90.1	Very high	59 Å²	59	48.6 Å²	48.6	22%	0.223	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-129.9	127.1	176.1	-49.8	80.7	0	0	0	109.2	K338 Y345 D346 S349 L390 S391 K392	K338-W340 HydrophobicContact CD-CZ2 3.82Å; W340-Y345 VanDerWaalsContact O-CA 3.24Å; W340-Y345 WeakPolarHBondContact O-CA 3.37Å; W340-D346 HydrophobicContact CB-CB 4.06Å; W340-D346 PolarHBondContact O-N 3.32Å; W340-S349 PolarHBondContact N-OG 3.26Å; W340-S349 PolarHBondContact O-OG 2.91Å; W340-L390 VanDerWaalsContact CA-O 3.23Å; W340-L390 WeakPolarHBondContact CA-O 3.41Å; W340-L390 HydrophobicContact CD2-CB 3.79Å; W340-L390 HydrophobicContact CD2-CD1 4.19Å; W340-L390 HydrophobicContact CE3-CB 3.31Å; W340-L390 HydrophobicContact CE3-CD1 4.16Å; W340-L390 HydrophobicContact CE3-CG 4.39Å; W340-L390 HydrophobicContact CG-CB 4.4Å; W340-L390 HydrophobicContact CH2-CB 4.45Å; W340-L390 HydrophobicContact CH2-CD1 3.94Å; W340-L390 HydrophobicContact CZ2-CD1 3.97Å; W340-L390 HydrophobicContact CZ3-CB 3.69Å; W340-L390 HydrophobicContact CZ3-CD1 4.03Å; W340-S391 VanDerWaalsContact CZ3-O 3.32Å; W340-S391 WeakPolarHBondContact CZ3-O 3.3Å; W340-K392 HydrophobicContact CE3-CB 3.86Å; W340-K392 HydrophobicContact CZ3-CB 4.46Å
341	G	88.4	Confident	90.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	100	177.2	-176.6	0	0	0	0	0	115.4	Y345 V380 S389 L390	G341-Y345 WeakPolarHBondContact O-CE1 3.42Å; G341-V380 CarbonylContact C-O 3.57Å; G341-V380 VanDerWaalsContact C-O 3.23Å; G341-V380 WeakPolarHBondContact CA-O 3.47Å; G341-S389 WeakPolarHBondContact O-CB 3.48Å; G341-S389 PolarHBondContact O-OG 3.43Å; G341-L390 PolarHBondContact N-O 3.31Å; G341-L390 VanDerWaalsContact N-O 3.14Å
342	T	90.3	Very high	90.1	Very high	41 Å²	41	40.9 Å²	40.9	25%	0.252	21%	0.207	S	C	.	.	S	Bend	trans	-144.6	141.8	175.2	-171.8	0	0	0	0	108.1	S344 S382	T342-S344 PolarHBondContact N-O 3.07Å; T342-S344 PolarHBondContact O-N 3.48Å; T342-S382 VanDerWaalsContact CB-OG 3.25Å; T342-S382 WeakPolarHBondContact CB-OG 3.23Å; T342-S382 PolarHBondContact OG1-OG 3.5Å; T342-S382 VanDerWaalsContact OG1-OG 3.07Å
343	V	87.9	Confident	90.2	Very high	99 Å²	99	42.7 Å²	42.7	60%	0.6	21%	0.213	S	C	*	.	S	Bend	trans	62.7	-61.1	-166.8	-174.7	0	0	0	0	112.6	Y345	V343-Y345 VanDerWaalsContact O-CE2 3.23Å; V343-Y345 WeakPolarHBondContact O-CE2 3.16Å
344	S	91.5	Very high	90.5	Very high	28 Å²	28	40.7 Å²	40.7	20%	0.196	20%	0.203	C	C	.	.	S	Bend	trans	-105.8	132.6	171.5	-63.2	0	0	0	0	110.6	T342 T400	T342-S344 PolarHBondContact N-O 3.07Å; T342-S344 PolarHBondContact O-N 3.48Å; S344-T400 WeakPolarHBondContact OG-CG2 3.25Å
345	Y	94.1	Very high	91.2	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.8	-172.2	-55.5	-80.5	0	0	0	111.9	V339 W340 G341 V343 A354 H357 F379 S398 F399 V401	V339-Y345 HydrophobicContact CG1-CD1 3.51Å; V339-Y345 HydrophobicContact CG1-CE1 3.79Å; W340-Y345 VanDerWaalsContact O-CA 3.24Å; W340-Y345 WeakPolarHBondContact O-CA 3.37Å; G341-Y345 WeakPolarHBondContact O-CE1 3.42Å; V343-Y345 VanDerWaalsContact O-CE2 3.23Å; V343-Y345 WeakPolarHBondContact O-CE2 3.16Å; Y345-A354 HydrophobicContact CD1-CB 3.99Å; Y345-A354 HydrophobicContact CD2-CB 3.83Å; Y345-A354 HydrophobicContact CE1-CB 4.26Å; Y345-A354 HydrophobicContact CE2-CB 4.13Å; Y345-A354 HydrophobicContact CG-CB 3.76Å; Y345-H357 AromaticContact CE1-CE1 3.99Å; Y345-H357 AromaticContact CE1-ND1 3.45Å; Y345-H357 WeakPolarHBondContact CE1-ND1 3.45Å; Y345-H357 AromaticContact CZ-ND1 3.57Å; Y345-H357 PolarHBondContact OH-ND1 2.86Å; Y345-F379 VanDerWaalsContact C-CE1 3.44Å; Y345-S398 CarbonylContact O-C 3.56Å; Y345-S398 VanDerWaalsContact O-CA 3.22Å; Y345-S398 WeakPolarHBondContact O-CA 3.32Å; Y345-F399 HydrophobicContact CD2-CE2 4.49Å; Y345-F399 PolarHBondContact N-O 2.92Å; Y345-F399 VanDerWaalsContact O-CD1 3.26Å; Y345-F399 WeakPolarHBondContact O-CD1 3.38Å; Y345-F399 PolarHBondContact O-N 2.86Å; Y345-V401 HydrophobicContact CD2-CG2 4.28Å; Y345-V401 HydrophobicContact CE2-CG2 3.77Å
346	D	94.1	Very high	91.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.2	176.1	-178	-93.6	0	0	0	110.7	W340 Q348 S349 F379 K392 F399	W340-D346 HydrophobicContact CB-CB 4.06Å; W340-D346 PolarHBondContact O-N 3.32Å; D346-Q348 PolarHBondContact O-N 2.77Å; D346-Q348 WeakPolarHBondContact OD1-CB 3.42Å; D346-Q348 WeakPolarHBondContact OD1-CG 3.49Å; D346-Q348 PolarHBondContact OD1-N 3.05Å; D346-Q348 PolarHBondContact OD1-OE1 3.06Å; D346-S349 WeakPolarHBondContact O-CB 3.28Å; D346-S349 PolarHBondContact O-N 2.87Å; D346-S349 PolarHBondContact O-OG 2.85Å; D346-F379 VanDerWaalsContact CA-CE1 3.48Å; D346-F379 HydrophobicContact CB-CD1 4.13Å; D346-F379 HydrophobicContact CB-CD2 4.06Å; D346-F379 HydrophobicContact CB-CE1 3.83Å; D346-F379 HydrophobicContact CB-CE2 3.77Å; D346-F379 HydrophobicContact CB-CG 4.24Å; D346-F379 HydrophobicContact CB-CZ 3.64Å; D346-F379 WeakPolarHBondContact OD2-CE2 3.38Å; D346-K392 HydrophobicContact CB-CD 4.32Å; D346-K392 IonicContact OD1-NZ 3.67Å; D346-K392 PolarHBondContact OD1-NZ 2.03Å; D346-K392 VanDerWaalsContact OD1-NZ 3.15Å; D346-K392 IonicContact OD2-NZ 2.82Å; D346-K392 PolarHBondContact OD2-NZ 2.8Å; D346-F399 VanDerWaalsContact O-CE1 3.31Å; D346-F399 WeakPolarHBondContact O-CE1 3.31Å
347	V	91.5	Very high	92.7	Very high	15 Å²	15	23.1 Å²	23.1	9%	0.091	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-13.4	179.1	-70.6	0	0	0	0	116	L314 R315 S349 N397 F399	L314-V347 HydrophobicContact CD2-CG1 4.28Å; L314-V347 PolarHBondContact N-O 2.77Å; R315-V347 HydrophobicContact CB-CB 4.36Å; R315-V347 HydrophobicContact CB-CG2 4.46Å; R315-V347 WeakPolarHBondContact CB-O 3.37Å; R315-V347 PolarHBondContact N-O 3.07Å; V347-S349 VanDerWaalsContact C-N 3.32Å; V347-N397 HydrophobicContact CG1-CB 3.95Å; V347-N397 WeakPolarHBondContact CG1-O 3.33Å; V347-N397 HydrophobicContact CG2-CB 4.11Å; V347-N397 PolarHBondContact N-O 3.19Å; V347-F399 HydrophobicContact CG1-CD1 4.38Å
348	Q	91.4	Very high	93.5	Very high	73 Å²	73	25 Å²	25	34%	0.341	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.1	171.5	-56.9	179.3	-84.2	0	0	113.7	R313 D346	R313-Q348 WeakPolarHBondContact CD-O 3.41Å; R313-Q348 WeakPolarHBondContact CG-O 3.43Å; R313-Q348 PolarHBondContact NE-O 3.25Å; D346-Q348 PolarHBondContact O-N 2.77Å; D346-Q348 WeakPolarHBondContact OD1-CB 3.42Å; D346-Q348 WeakPolarHBondContact OD1-CG 3.49Å; D346-Q348 PolarHBondContact OD1-N 3.05Å; D346-Q348 PolarHBondContact OD1-OE1 3.06Å
349	S	93.6	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-76.9	147.4	175.5	-55.8	0	0	0	0	112	R313 K338 W340 D346 V347 I351	R313-S349 VanDerWaalsContact CA-O 3.25Å; R313-S349 WeakPolarHBondContact CA-O 3.23Å; R313-S349 WeakPolarHBondContact CB-O 3.28Å; K338-S349 CarbonylContact O-C 3.35Å; K338-S349 VanDerWaalsContact O-CA 3.3Å; K338-S349 WeakPolarHBondContact O-CA 3.35Å; W340-S349 PolarHBondContact N-OG 3.26Å; W340-S349 PolarHBondContact O-OG 2.91Å; D346-S349 WeakPolarHBondContact O-CB 3.28Å; D346-S349 PolarHBondContact O-N 2.87Å; D346-S349 PolarHBondContact O-OG 2.85Å; V347-S349 VanDerWaalsContact C-N 3.32Å; S349-I351 PolarHBondContact O-N 2.77Å
350	S	94.5	Very high	93.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-59	130.1	163.3	160.1	0	0	0	0	110.2	C310 T312 K338 C352 R353 A354	C310-S350 WeakPolarHBondContact O-CB 3.49Å; C310-S350 PolarHBondContact O-OG 3.03Å; T312-S350 WeakPolarHBondContact O-CA 3.31Å; K338-S350 PolarHBondContact O-N 3.09Å; S350-C352 PolarHBondContact OG-N 2.82Å; S350-R353 PolarHBondContact OG-N 3.47Å; S350-A354 WeakPolarHBondContact O-CB 3.44Å; S350-A354 PolarHBondContact O-N 3.29Å
351	I	94.4	Very high	93.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-48.7	177.2	-59.5	171.7	0	0	0	110	I308 T312 L314 S349 A354 A355 V370 F399	I308-I351 HydrophobicContact CD1-CB 3.95Å; I308-I351 HydrophobicContact CD1-CD1 4.14Å; I308-I351 HydrophobicContact CD1-CG2 4.14Å; T312-I351 PolarHBondContact O-N 2.9Å; L314-I351 HydrophobicContact CB-CD1 4.24Å; L314-I351 HydrophobicContact CB-CG1 4.21Å; L314-I351 HydrophobicContact CD1-CD1 4.11Å; S349-I351 PolarHBondContact O-N 2.77Å; I351-A354 PolarHBondContact O-N 2.75Å; I351-A355 WeakPolarHBondContact O-CB 3.35Å; I351-A355 PolarHBondContact O-N 3.19Å; I351-V370 HydrophobicContact CG2-CG2 3.88Å; I351-F399 HydrophobicContact CG1-CZ 4.46Å
352	C	95.3	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-42.4	-176.5	-56.2	0	0	0	0	112.6	I308 C328 C332 S350 A354 A355 I356	I308-C352 VanDerWaalsContact CD1-SG 3.52Å; C328-C352 VanDerWaalsContact CA-SG 3.58Å; C328-C352 HydrophobicContact CB-CB 3.76Å; C328-C352 WeakPolarHBondContact CB-SG 3.48Å; C328-C352 WeakPolarHBondContact SG-CA 3.41Å; C328-C352 WeakPolarHBondContact SG-CB 3.37Å; C328-C352 CovalentContact SG-SG 2.04Å; C328-C352 PolarHBondContact SG-SG 3.27Å; C332-C352 HydrophobicContact CB-CB 4.04Å; S350-C352 PolarHBondContact OG-N 2.82Å; C352-A354 VanDerWaalsContact C-N 3.34Å; C352-A355 PolarHBondContact O-N 2.04Å; C352-I356 WeakPolarHBondContact O-CG1 3.5Å; C352-I356 PolarHBondContact O-N 3.42Å
353	R	95.8	Very high	94.3	Very high	39 Å²	39	25.2 Å²	25.2	15%	0.147	15%	0.15	C	C	.	.	H	α-helix	trans	-70.6	-28.7	174.7	-81.7	-172.1	49.4	172.9	-2.9	112.8	C332 T335 G337 V339 S350 H357 V387 E388	C332-R353 WeakPolarHBondContact O-CD 3.31Å; C332-R353 WeakPolarHBondContact O-CG 3.42Å; T335-R353 PolarHBondContact O-NH1 2.87Å; G337-R353 VanDerWaalsContact O-CD 3.26Å; G337-R353 WeakPolarHBondContact O-CD 3.34Å; G337-R353 PolarHBondContact O-NE 2.94Å; G337-R353 PolarHBondContact O-NH1 2.85Å; V339-R353 HydrophobicContact CG2-CB 3.44Å; V339-R353 VanDerWaalsContact CG2-CB 3.44Å; S350-R353 PolarHBondContact OG-N 3.47Å; R353-H357 WeakPolarHBondContact O-CB 3.33Å; R353-H357 PolarHBondContact O-N 3.16Å; R353-V387 HydrophobicContact CB-CG1 4.44Å; R353-E388 PolarHBondContact NH2-O 2.95Å
354	A	96.1	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.6	-38	171.2	0	0	0	0	0	112.1	V339 Y345 S350 I351 C352 H357 S358 F399	V339-A354 HydrophobicContact CG1-CB 4.21Å; Y345-A354 HydrophobicContact CD1-CB 3.99Å; Y345-A354 HydrophobicContact CD2-CB 3.83Å; Y345-A354 HydrophobicContact CE1-CB 4.26Å; Y345-A354 HydrophobicContact CE2-CB 4.13Å; Y345-A354 HydrophobicContact CG-CB 3.76Å; S350-A354 WeakPolarHBondContact O-CB 3.44Å; S350-A354 PolarHBondContact O-N 3.29Å; I351-A354 PolarHBondContact O-N 2.75Å; C352-A354 VanDerWaalsContact C-N 3.34Å; A354-H357 WeakPolarHBondContact O-CB 3.42Å; A354-H357 PolarHBondContact O-N 3.07Å; A354-S358 PolarHBondContact O-N 3.3Å; A354-S358 PolarHBondContact O-OG 2.84Å; A354-F399 HydrophobicContact CB-CE2 4.22Å; A354-F399 HydrophobicContact CB-CZ 4.21Å
355	A	96.5	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-73.9	-33	177.3	0	0	0	0	0	113.6	I351 C352 S358 G359 V360 I361 V368 V401	I351-A355 WeakPolarHBondContact O-CB 3.35Å; I351-A355 PolarHBondContact O-N 3.19Å; C352-A355 PolarHBondContact O-N 2.04Å; A355-S358 WeakPolarHBondContact CA-OG 3.49Å; A355-S358 PolarHBondContact O-OG 3.46Å; A355-S358 VanDerWaalsContact O-OG 3.07Å; A355-G359 PolarHBondContact O-N 3.28Å; A355-V360 HydrophobicContact CB-CB 4.37Å; A355-V360 HydrophobicContact CB-CG1 4.16Å; A355-V360 WeakPolarHBondContact O-CB 3.48Å; A355-V360 PolarHBondContact O-N 2.97Å; A355-I361 HydrophobicContact CB-CD1 3.97Å; A355-I361 HydrophobicContact CB-CG1 3.71Å; A355-I361 PolarHBondContact O-N 3.1Å; A355-V368 HydrophobicContact CB-CB 4.32Å; A355-V368 HydrophobicContact CB-CG1 3.78Å; A355-V368 HydrophobicContact CB-CG2 3.56Å; A355-V401 HydrophobicContact CB-CB 4.36Å; A355-V401 HydrophobicContact CB-CG1 4.34Å
356	I	96.6	Very high	94.8	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-49.9	166	-64	171.3	0	0	0	109.5	C332 L333 C352 S358 G359 I361 D362 N385 V387	C332-I356 HydrophobicContact CB-CD1 3.85Å; L333-I356 HydrophobicContact CD1-CG2 3.88Å; C352-I356 WeakPolarHBondContact O-CG1 3.5Å; C352-I356 PolarHBondContact O-N 3.42Å; I356-S358 VanDerWaalsContact C-N 3.29Å; I356-S358 PolarHBondContact O-N 3.47Å; I356-G359 PolarHBondContact O-N 3.23Å; I356-I361 WeakPolarHBondContact CA-O 3.44Å; I356-I361 HydrophobicContact CG1-CD1 4.12Å; I356-I361 HydrophobicContact CG1-CG1 3.96Å; I356-D362 WeakPolarHBondContact CG1-O 3.45Å; I356-N385 WeakPolarHBondContact O-CB 3.48Å; I356-N385 PolarHBondContact O-ND2 2.9Å; I356-V387 HydrophobicContact CB-CG2 4.05Å; I356-V387 HydrophobicContact CG2-CG2 3.67Å
357	H	96.4	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-54.3	-41.2	178.7	179.4	-84.5	0	0	0	112.8	Y345 R353 A354 G359 S382 K384 N385 V387	Y345-H357 AromaticContact CE1-CE1 3.99Å; Y345-H357 AromaticContact CE1-ND1 3.45Å; Y345-H357 WeakPolarHBondContact CE1-ND1 3.45Å; Y345-H357 AromaticContact CZ-ND1 3.57Å; Y345-H357 PolarHBondContact OH-ND1 2.86Å; R353-H357 WeakPolarHBondContact O-CB 3.33Å; R353-H357 PolarHBondContact O-N 3.16Å; A354-H357 WeakPolarHBondContact O-CB 3.42Å; A354-H357 PolarHBondContact O-N 3.07Å; H357-G359 VanDerWaalsContact C-N 3.29Å; H357-G359 PolarHBondContact O-N 3.42Å; H357-S382 PolarHBondContact CE1-OG 2.9Å; H357-S382 PolarHBondContact NE2-O 3.25Å; H357-S382 PolarHBondContact NE2-OG 2.76Å; H357-K384 WeakPolarHBondContact O-CB 3.33Å; H357-N385 PolarHBondContact O-ND2 3.42Å; H357-V387 HydrophobicContact CB-CB 3.84Å; H357-V387 HydrophobicContact CB-CG1 3.91Å; H357-V387 HydrophobicContact CB-CG2 4.37Å; H357-V387 PolarHBondContact CD2-O 2.91Å; H357-V387 VanDerWaalsContact CD2-O 3.29Å
358	S	95.6	Very high	94.9	Very high	42 Å²	42	27.4 Å²	27.4	29%	0.294	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.8	175.6	61.7	0	0	0	0	115.1	A354 A355 I356 V360 V401	A354-S358 PolarHBondContact O-N 3.3Å; A354-S358 PolarHBondContact O-OG 2.84Å; A355-S358 WeakPolarHBondContact CA-OG 3.49Å; A355-S358 PolarHBondContact O-OG 3.46Å; A355-S358 VanDerWaalsContact O-OG 3.07Å; I356-S358 VanDerWaalsContact C-N 3.29Å; I356-S358 PolarHBondContact O-N 3.47Å; S358-V360 VanDerWaalsContact C-N 3.31Å; S358-V360 WeakPolarHBondContact OG-CB 3.46Å; S358-V360 VanDerWaalsContact OG-CG2 3.28Å; S358-V360 WeakPolarHBondContact OG-CG2 3.4Å; S358-V401 WeakPolarHBondContact OG-CG2 3.37Å
359	G	95.5	Very high	94.9	Very high	46 Å²	46	24.3 Å²	24.3	47%	0.474	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	18.9	-173	0	0	0	0	0	113.7	A355 I356 H357 N385	A355-G359 PolarHBondContact O-N 3.28Å; I356-G359 PolarHBondContact O-N 3.23Å; H357-G359 VanDerWaalsContact C-N 3.29Å; H357-G359 PolarHBondContact O-N 3.42Å; G359-N385 WeakPolarHBondContact CA-ND2 3.31Å; G359-N385 PolarHBondContact N-ND2 3.22Å; G359-N385 VanDerWaalsContact N-ND2 3.15Å
360	V	95.5	Very high	94.8	Very high	21 Å²	21	24.3 Å²	24.3	13%	0.127	15%	0.151	C	C	.	.	S	Bend	trans	-76.9	-34.4	179	152.9	0	0	0	0	111.5	A355 S358 V368 V401 K403	A355-V360 HydrophobicContact CB-CB 4.37Å; A355-V360 HydrophobicContact CB-CG1 4.16Å; A355-V360 WeakPolarHBondContact O-CB 3.48Å; A355-V360 PolarHBondContact O-N 2.97Å; S358-V360 VanDerWaalsContact C-N 3.31Å; S358-V360 WeakPolarHBondContact OG-CB 3.46Å; S358-V360 VanDerWaalsContact OG-CG2 3.28Å; S358-V360 WeakPolarHBondContact OG-CG2 3.4Å; V360-V368 HydrophobicContact CG1-CG1 4.2Å; V360-V368 HydrophobicContact CG1-CG2 4.2Å; V360-V401 HydrophobicContact CG2-CG2 4.48Å; V360-K403 HydrophobicContact CG1-CB 4.06Å
361	I	95.4	Very high	94.5	Very high	20 Å²	20	25.3 Å²	25.3	10%	0.103	16%	0.157	C	C	.	.	S	Bend	trans	-134.6	164	168.8	52.9	167	0	0	0	108.9	C328 A355 I356 G365 V368	C328-I361 HydrophobicContact CB-CD1 3.76Å; A355-I361 HydrophobicContact CB-CD1 3.97Å; A355-I361 HydrophobicContact CB-CG1 3.71Å; A355-I361 PolarHBondContact O-N 3.1Å; I356-I361 WeakPolarHBondContact CA-O 3.44Å; I356-I361 HydrophobicContact CG1-CD1 4.12Å; I356-I361 HydrophobicContact CG1-CG1 3.96Å; I361-G365 WeakPolarHBondContact CB-O 3.36Å; I361-G365 WeakPolarHBondContact CG2-O 3.44Å; I361-V368 HydrophobicContact CD1-CG2 3.85Å; I361-V368 HydrophobicContact CG1-CG2 4.14Å; I361-V368 HydrophobicContact CG2-CG2 3.9Å
362	D	94.6	Very high	94.2	Very high	84 Å²	84	30 Å²	30	45%	0.449	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-99.4	-167.7	171.2	67.1	9.6	0	0	0	110.9	I356 N364 G365	I356-D362 WeakPolarHBondContact CG1-O 3.45Å; D362-N364 VanDerWaalsContact CG-ND2 3.32Å; D362-N364 PolarHBondContact O-N 3.46Å; D362-N364 WeakPolarHBondContact OD1-CA 3.31Å; D362-N364 WeakPolarHBondContact OD1-CB 3.35Å; D362-N364 PolarHBondContact OD1-N 3.26Å; D362-N364 PolarHBondContact OD1-ND2 2.93Å; D362-N364 PolarHBondContact OD2-ND2 2.88Å; D362-G365 PolarHBondContact O-N 2.87Å
363	N	95.1	Very high	93.6	Very high	50 Å²	50	32.2 Å²	32.2	27%	0.267	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.5	177.1	-170.6	56.6	0	0	0	114.2	A330 N331 C332 L333 G365	A330-N363 CarbonylContact C-O 3.57Å; A330-N363 VanDerWaalsContact CA-O 3.3Å; A330-N363 WeakPolarHBondContact CA-O 3.1Å; N331-N363 VanDerWaalsContact C-OD1 3.29Å; N331-N363 WeakPolarHBondContact CA-OD1 3.34Å; N331-N363 PolarHBondContact N-O 2.75Å; N331-N363 PolarHBondContact N-OD1 2.91Å; N331-N363 PolarHBondContact OD1-ND2 3.45Å; N331-N363 VanDerWaalsContact OD1-ND2 3.09Å; C332-N363 PolarHBondContact N-OD1 2.71Å; L333-N363 HydrophobicContact CB-CB 4.37Å; L333-N363 WeakPolarHBondContact CB-OD1 3.45Å; L333-N363 PolarHBondContact N-OD1 2.98Å; N363-G365 VanDerWaalsContact C-N 3.27Å
364	N	95.6	Very high	92.9	Very high	122 Å²	122	37.3 Å²	37.3	65%	0.652	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.7	169	-56.5	-62	0	0	0	111.9	A330 D362	A330-N364 WeakPolarHBondContact CA-O 3.22Å; A330-N364 WeakPolarHBondContact CB-O 3.39Å; A330-N364 PolarHBondContact N-O 3.43Å; D362-N364 VanDerWaalsContact CG-ND2 3.32Å; D362-N364 PolarHBondContact O-N 3.46Å; D362-N364 WeakPolarHBondContact OD1-CA 3.31Å; D362-N364 WeakPolarHBondContact OD1-CB 3.35Å; D362-N364 PolarHBondContact OD1-N 3.26Å; D362-N364 PolarHBondContact OD1-ND2 2.93Å; D362-N364 PolarHBondContact OD2-ND2 2.88Å
365	G	93.9	Very high	92.4	Very high	11 Å²	11	43.8 Å²	43.8	11%	0.113	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	91.5	-145.2	177.1	0	0	0	0	0	112.4	C328 I361 D362 N363	C328-G365 CarbonylContact O-C 3.6Å; C328-G365 WeakPolarHBondContact O-CA 3.48Å; I361-G365 WeakPolarHBondContact CB-O 3.36Å; I361-G365 WeakPolarHBondContact CG2-O 3.44Å; D362-G365 PolarHBondContact O-N 2.87Å; N363-G365 VanDerWaalsContact C-N 3.27Å
366	G	93.7	Very high	91.5	Very high	27 Å²	27	46.5 Å²	46.5	28%	0.278	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115.1	-162	178.6	0	0	0	0	0	114.2	C328	C328-G366 PolarHBondContact N-O 3.02Å; C328-G366 PolarHBondContact O-N 2.88Å
367	L	93.1	Very high	90.5	Very high	32 Å²	32	50 Å²	50	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132	-169.3	-70.1	165.9	0	0	0	112.8	A305 R325 H326 N327 V404 R430	A305-L367 HydrophobicContact CB-CD2 3.87Å; R325-L367 HydrophobicContact CG-CD2 4.39Å; H326-L367 WeakPolarHBondContact O-CA 3.47Å; N327-L367 HydrophobicContact CB-CD2 3.84Å; L367-V404 HydrophobicContact CB-CB 3.7Å; L367-V404 HydrophobicContact CB-CG1 4.31Å; L367-V404 HydrophobicContact CB-CG2 3.74Å; L367-V404 HydrophobicContact CD1-CG1 4.42Å; L367-V404 PolarHBondContact O-N 2.94Å; L367-R430 VanDerWaalsContact CD1-CZ 3.41Å
368	V	94.1	Very high	89.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.3	-177.6	-177.3	0	0	0	0	108.6	H326 A355 V360 I361 V370 V401	H326-V368 PolarHBondContact N-O 3.35Å; H326-V368 PolarHBondContact O-N 3.43Å; A355-V368 HydrophobicContact CB-CB 4.32Å; A355-V368 HydrophobicContact CB-CG1 3.78Å; A355-V368 HydrophobicContact CB-CG2 3.56Å; V360-V368 HydrophobicContact CG1-CG1 4.2Å; V360-V368 HydrophobicContact CG1-CG2 4.2Å; I361-V368 HydrophobicContact CD1-CG2 3.85Å; I361-V368 HydrophobicContact CG1-CG2 4.14Å; I361-V368 HydrophobicContact CG2-CG2 3.9Å; V368-V370 HydrophobicContact CG1-CG2 4.36Å; V368-V401 HydrophobicContact CG1-CB 3.92Å; V368-V401 HydrophobicContact CG1-CG1 3.88Å
369	D	92.1	Very high	89.1	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.7	165	-77.2	-22.2	0	0	0	110.8	N324 R325 V401 V402 V404 H427	N324-D369 CarbonylContact O-C 3.55Å; N324-D369 WeakPolarHBondContact O-CA 3.28Å; R325-D369 VanDerWaalsContact CA-OD1 3.27Å; R325-D369 WeakPolarHBondContact CA-OD1 3.14Å; R325-D369 WeakPolarHBondContact CB-OD1 3Å; R325-D369 VanDerWaalsContact CG-OD1 3.26Å; R325-D369 WeakPolarHBondContact CG-OD1 3.32Å; R325-D369 IonicContact CZ-OD1 3.97Å; R325-D369 IonicContact CZ-OD2 2.92Å; R325-D369 IonicContact NE-OD1 2.8Å; R325-D369 PolarHBondContact NE-OD1 3Å; R325-D369 IonicContact NE-OD2 3.88Å; R325-D369 IonicContact NH2-OD1 3.84Å; R325-D369 IonicContact NH2-OD2 3.44Å; R325-D369 PolarHBondContact NH2-OD2 2.95Å; D369-V401 CarbonylContact O-C 3.51Å; D369-V401 WeakPolarHBondContact O-CA 3.32Å; D369-V402 PolarHBondContact N-O 2.81Å; D369-V402 PolarHBondContact O-N 3.42Å; D369-V404 HydrophobicContact CB-CG2 4.34Å; D369-H427 HydrophobicContact CB-CB 4.41Å; D369-H427 WeakPolarHBondContact OD2-CB 3.47Å; D369-H427 IonicContact OD2-CG 3.53Å
370	V	91.2	Very high	88.3	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.6	-174.5	176.1	0	0	0	0	110.2	L314 N324 I351 V368 F399 T400 V401	L314-V370 HydrophobicContact CD1-CG1 3.89Å; L314-V370 HydrophobicContact CD2-CG1 3.5Å; L314-V370 HydrophobicContact CG-CG1 4.33Å; N324-V370 PolarHBondContact O-N 3.04Å; I351-V370 HydrophobicContact CG2-CG2 3.88Å; V368-V370 HydrophobicContact CG1-CG2 4.36Å; V370-F399 HydrophobicContact CG1-CB 3.93Å; V370-F399 HydrophobicContact CG1-CD2 3.72Å; V370-F399 HydrophobicContact CG1-CG 4.08Å; V370-T400 WeakPolarHBondContact CA-O 3.13Å; V370-V401 HydrophobicContact CG2-CG1 4.26Å
371	T	88.3	Confident	87.9	Confident	22 Å²	22	59.5 Å²	59.5	14%	0.135	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.6	170.7	-55.7	0	0	0	0	108.6	T373 F399 T400 H427	T371-T373 HydrophobicContact CG2-CG2 4.14Å; T371-T373 PolarHBondContact O-N 3.32Å; T371-F399 CarbonylContact O-C 3.24Å; T371-F399 WeakPolarHBondContact O-CA 3.31Å; T371-F399 VanDerWaalsContact O-CB 3.3Å; T371-F399 WeakPolarHBondContact O-CB 3.35Å; T371-T400 WeakPolarHBondContact CB-OG1 3.4Å; T371-T400 PolarHBondContact N-O 2.9Å; T371-T400 PolarHBondContact O-N 2.97Å; T371-H427 PolarHBondContact OG1-NE2 2.88Å
372	R	87.1	Confident	87.3	Confident	99 Å²	99	59.8 Å²	59.8	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.5	166.5	-70.6	-173.5	175.4	-75.2	6.5	108.9	L314 C318	L314-R372 HydrophobicContact CD2-CG 4.15Å; L314-R372 PolarHBondContact O-NH2 3.18Å; L314-R372 VanDerWaalsContact O-NH2 3.13Å; C318-R372 PolarHBondContact O-NH2 3.17Å
373	T	84	Confident	87.1	Confident	48 Å²	48	60.1 Å²	60.1	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	170.1	179.9	41.9	0	0	0	0	110.3	T371 S398 F399 T400	T371-T373 HydrophobicContact CG2-CG2 4.14Å; T371-T373 PolarHBondContact O-N 3.32Å; T373-S398 WeakPolarHBondContact CB-OG 3.31Å; T373-S398 PolarHBondContact N-O 2.66Å; T373-S398 VanDerWaalsContact N-O 3.17Å; T373-S398 PolarHBondContact O-OG 3.29Å; T373-S398 PolarHBondContact OG1-OG 3.15Å; T373-F399 WeakPolarHBondContact OG1-CA 3.43Å; T373-F399 PolarHBondContact OG1-N 3.03Å; T373-T400 HydrophobicContact CG2-CG2 4.16Å
374	D	79.9	Confident	86.8	Confident	146 Å²	146	62 Å²	62	78%	0.781	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	169.8	-173.4	-71.6	-60.2	0	0	0	114.2	L376 S398	D374-L376 PolarHBondContact O-N 3.21Å; D374-S398 WeakPolarHBondContact O-CB 3.49Å; D374-S398 PolarHBondContact O-N 3.42Å; D374-S398 PolarHBondContact O-OG 3.4Å
375	K	85.6	Confident	86.7	Confident	135 Å²	135	60.7 Å²	60.7	59%	0.587	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	98	-177.8	-171.8	-163.1	-179	-159.7	0	110.3	P395 G396	K375-P395 HydrophobicContact CD-CB 4.41Å; K375-G396 CarbonylContact C-O 3.55Å; K375-G396 WeakPolarHBondContact CA-O 3.48Å
376	L	78.4	Confident	86.5	Confident	58 Å²	58	63 Å²	63	30%	0.304	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	146.2	177	-65.1	179.2	0	0	0	111.1	D374 F379 P395 G396	D374-L376 PolarHBondContact O-N 3.21Å; L376-F379 HydrophobicContact CB-CE1 4.34Å; L376-F379 HydrophobicContact CB-CE2 4.49Å; L376-F379 HydrophobicContact CB-CZ 4.1Å; L376-F379 HydrophobicContact CD1-CD1 4.37Å; L376-F379 HydrophobicContact CD1-CE1 3.92Å; L376-F379 HydrophobicContact CD1-CZ 4.48Å; L376-P395 CarbonylContact O-C 3.52Å; L376-P395 WeakPolarHBondContact O-CA 3.3Å; L376-G396 PolarHBondContact N-O 3.12Å; L376-G396 PolarHBondContact O-N 3.24Å
377	P	74.3	Confident	86.4	Confident	78 Å²	78	61.8 Å²	61.8	51%	0.506	33%	0.326	S	S	.	.	S	Bend	trans	-71.7	-32.2	-179.4	27.8	-34	0	0	0	112.7	K394 P395	P377-K394 CarbonylContact O-C 3.49Å; P377-K394 VanDerWaalsContact O-C 3.24Å; P377-P395 VanDerWaalsContact O-CA 3.26Å; P377-P395 WeakPolarHBondContact O-CA 3.36Å; P377-P395 VanDerWaalsContact O-CD 3.31Å; P377-P395 WeakPolarHBondContact O-CD 3.46Å; P377-P395 WeakPolarHBondContact O-CG 3.42Å
378	F	78.3	Confident	86.4	Confident	89 Å²	89	64.2 Å²	64.2	39%	0.39	34%	0.336	S	S	.	.			trans	-152.3	173	176.6	57	-93.8	0	0	0	110.7	V380 K392	F378-V380 HydrophobicContact CD2-CG2 3.94Å; F378-V380 HydrophobicContact CE2-CG2 3.77Å; F378-K392 CarbonylContact C-O 3.3Å; F378-K392 VanDerWaalsContact CA-O 3.23Å; F378-K392 WeakPolarHBondContact CA-O 3.04Å; F378-K392 WeakPolarHBondContact CB-O 3.08Å
379	F	86.2	Confident	86.3	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.022	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-130.9	136.1	174.2	-60.7	-96	0	0	0	109.5	Y345 D346 L376 S391 K392	Y345-F379 VanDerWaalsContact C-CE1 3.44Å; D346-F379 VanDerWaalsContact CA-CE1 3.48Å; D346-F379 HydrophobicContact CB-CD1 4.13Å; D346-F379 HydrophobicContact CB-CD2 4.06Å; D346-F379 HydrophobicContact CB-CE1 3.83Å; D346-F379 HydrophobicContact CB-CE2 3.77Å; D346-F379 HydrophobicContact CB-CG 4.24Å; D346-F379 HydrophobicContact CB-CZ 3.64Å; D346-F379 WeakPolarHBondContact OD2-CE2 3.38Å; L376-F379 HydrophobicContact CB-CE1 4.34Å; L376-F379 HydrophobicContact CB-CE2 4.49Å; L376-F379 HydrophobicContact CB-CZ 4.1Å; L376-F379 HydrophobicContact CD1-CD1 4.37Å; L376-F379 HydrophobicContact CD1-CE1 3.92Å; L376-F379 HydrophobicContact CD1-CZ 4.48Å; F379-S391 CarbonylContact O-C 3.23Å; F379-S391 WeakPolarHBondContact O-CA 3.49Å; F379-S391 WeakPolarHBondContact O-CB 3.46Å; F379-K392 HydrophobicContact CB-CB 4.12Å; F379-K392 HydrophobicContact CD2-CB 4.06Å; F379-K392 HydrophobicContact CD2-CD 4.08Å; F379-K392 HydrophobicContact CD2-CG 4.35Å; F379-K392 HydrophobicContact CE2-CD 4.44Å; F379-K392 PolarHBondContact N-O 3Å; F379-K392 PolarHBondContact O-N 3.35Å
380	V	78.6	Confident	86.2	Confident	68 Å²	68	66.6 Å²	66.6	41%	0.412	35%	0.348	S	S	.	.			trans	-97.4	144.7	-176.7	-174.2	0	0	0	0	110.6	G341 F378	G341-V380 CarbonylContact C-O 3.57Å; G341-V380 VanDerWaalsContact C-O 3.23Å; G341-V380 WeakPolarHBondContact CA-O 3.47Å; F378-V380 HydrophobicContact CD2-CG2 3.94Å; F378-V380 HydrophobicContact CE2-CG2 3.77Å
381	R	86.9	Confident	85.9	Confident	148 Å²	148	67.9 Å²	67.9	56%	0.558	36%	0.358	S	S	*	.			trans	-77.6	146.6	175.2	68	-176.7	-70.7	-146.3	1.9	111.4	E388 S389	R381-E388 IonicContact CZ-OE1 2.69Å; R381-E388 IonicContact NE-OE1 3.31Å; R381-E388 IonicContact NH2-OE1 2.68Å; R381-E388 PolarHBondContact NH2-OE1 2.86Å; R381-S389 VanDerWaalsContact CB-O 3.31Å; R381-S389 WeakPolarHBondContact CB-O 3.44Å
382	S	81.6	Confident	85.7	Confident	25 Å²	25	68.6 Å²	68.6	18%	0.175	36%	0.359	C	S	.	.			trans	-153.8	165.5	162.7	61.1	0	0	0	0	111.1	T342 H357 S389	T342-S382 VanDerWaalsContact CB-OG 3.25Å; T342-S382 WeakPolarHBondContact CB-OG 3.23Å; T342-S382 PolarHBondContact OG1-OG 3.5Å; T342-S382 VanDerWaalsContact OG1-OG 3.07Å; H357-S382 PolarHBondContact CE1-OG 2.9Å; H357-S382 PolarHBondContact NE2-O 3.25Å; H357-S382 PolarHBondContact NE2-OG 2.76Å; S382-S389 PolarHBondContact N-OG 2.69Å; S382-S389 PolarHBondContact O-N 3.39Å; S382-S389 PolarHBondContact O-OG 3.13Å
383	T	91.3	Very high	85.4	Confident	92 Å²	92	71.5 Å²	71.5	56%	0.564	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.1	167.3	-57.7	0	0	0	0	108.6	V387	T383-V387 CarbonylContact C-O 3.55Å; T383-V387 VanDerWaalsContact CA-O 3.31Å; T383-V387 WeakPolarHBondContact CA-O 3.44Å
384	K	89.3	Confident	85.2	Confident	89 Å²	89	76.5 Å²	76.5	39%	0.387	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.5	-179.8	-66	-170.1	177.3	-169.6	0	109.3	H357 G386 V387	H357-K384 WeakPolarHBondContact O-CB 3.33Å; K384-G386 VanDerWaalsContact C-N 3.29Å; K384-G386 PolarHBondContact O-N 3.08Å; K384-V387 PolarHBondContact N-O 3.47Å; K384-V387 PolarHBondContact O-N 2.83Å; K384-V387 VanDerWaalsContact O-O 3.09Å
385	N	93.6	Very high	85	Confident	94 Å²	94	73.2 Å²	73.2	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	44.6	174.8	-57.5	-58.3	0	0	0	113.8	I356 H357 G359 V387	I356-N385 WeakPolarHBondContact O-CB 3.48Å; I356-N385 PolarHBondContact O-ND2 2.9Å; H357-N385 PolarHBondContact O-ND2 3.42Å; G359-N385 WeakPolarHBondContact CA-ND2 3.31Å; G359-N385 PolarHBondContact N-ND2 3.22Å; G359-N385 VanDerWaalsContact N-ND2 3.15Å; N385-V387 PolarHBondContact O-N 2.87Å; N385-V387 VanDerWaalsContact O-N 3.14Å
386	G	88.3	Confident	85	Confident	61 Å²	61	67.1 Å²	67.1	63%	0.629	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-3.1	-178.1	0	0	0	0	0	115.7	K384	K384-G386 VanDerWaalsContact C-N 3.29Å; K384-G386 PolarHBondContact O-N 3.08Å
387	V	92.3	Very high	85.6	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.9	176.8	-177.9	0	0	0	0	109.6	L333 V339 R353 I356 H357 T383 K384 N385	L333-V387 HydrophobicContact CD1-CG2 3.66Å; V339-V387 HydrophobicContact CG2-CG1 4.15Å; R353-V387 HydrophobicContact CB-CG1 4.44Å; I356-V387 HydrophobicContact CB-CG2 4.05Å; I356-V387 HydrophobicContact CG2-CG2 3.67Å; H357-V387 HydrophobicContact CB-CB 3.84Å; H357-V387 HydrophobicContact CB-CG1 3.91Å; H357-V387 HydrophobicContact CB-CG2 4.37Å; H357-V387 PolarHBondContact CD2-O 2.91Å; H357-V387 VanDerWaalsContact CD2-O 3.29Å; T383-V387 CarbonylContact C-O 3.55Å; T383-V387 VanDerWaalsContact CA-O 3.31Å; T383-V387 WeakPolarHBondContact CA-O 3.44Å; K384-V387 PolarHBondContact N-O 3.47Å; K384-V387 PolarHBondContact O-N 2.83Å; K384-V387 VanDerWaalsContact O-O 3.09Å; N385-V387 PolarHBondContact O-N 2.87Å; N385-V387 VanDerWaalsContact O-N 3.14Å
388	E	91.9	Very high	86.4	Confident	82 Å²	82	65.2 Å²	65.2	38%	0.383	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.9	160	-179.1	172.2	-146.6	0	0	110.6	R353 R381	R353-E388 PolarHBondContact NH2-O 2.95Å; R381-E388 IonicContact CZ-OE1 2.69Å; R381-E388 IonicContact NE-OE1 3.31Å; R381-E388 IonicContact NH2-OE1 2.68Å; R381-E388 PolarHBondContact NH2-OE1 2.86Å
389	S	93.4	Very high	87.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.			trans	-107.5	161.1	167.9	82.5	0	0	0	0	112.1	V339 G341 R381 S382	V339-S389 CarbonylContact O-C 3.55Å; V339-S389 WeakPolarHBondContact O-CA 3.44Å; G341-S389 WeakPolarHBondContact O-CB 3.48Å; G341-S389 PolarHBondContact O-OG 3.43Å; R381-S389 VanDerWaalsContact CB-O 3.31Å; R381-S389 WeakPolarHBondContact CB-O 3.44Å; S382-S389 PolarHBondContact N-OG 2.69Å; S382-S389 PolarHBondContact O-N 3.39Å; S382-S389 PolarHBondContact O-OG 3.13Å
390	L	90.7	Very high	87.3	Confident	57 Å²	57	62.1 Å²	62.1	30%	0.298	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-108.4	149.1	-174.6	-59	174.6	0	0	0	111.7	K338 V339 W340 G341	K338-L390 HydrophobicContact CB-CD1 4.31Å; K338-L390 HydrophobicContact CD-CD1 3.78Å; K338-L390 HydrophobicContact CG-CD1 4.17Å; V339-L390 PolarHBondContact O-N 3.15Å; W340-L390 VanDerWaalsContact CA-O 3.23Å; W340-L390 WeakPolarHBondContact CA-O 3.41Å; W340-L390 HydrophobicContact CD2-CB 3.79Å; W340-L390 HydrophobicContact CD2-CD1 4.19Å; W340-L390 HydrophobicContact CE3-CB 3.31Å; W340-L390 HydrophobicContact CE3-CD1 4.16Å; W340-L390 HydrophobicContact CE3-CG 4.39Å; W340-L390 HydrophobicContact CG-CB 4.4Å; W340-L390 HydrophobicContact CH2-CB 4.45Å; W340-L390 HydrophobicContact CH2-CD1 3.94Å; W340-L390 HydrophobicContact CZ2-CD1 3.97Å; W340-L390 HydrophobicContact CZ3-CB 3.69Å; W340-L390 HydrophobicContact CZ3-CD1 4.03Å; G341-L390 PolarHBondContact N-O 3.31Å; G341-L390 VanDerWaalsContact N-O 3.14Å
391	S	84.6	Confident	88.1	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.203	31%	0.311	C	S	.	.			trans	-83	146.8	172.3	54.9	0	0	0	0	111.8	W340 F379 Y393	W340-S391 VanDerWaalsContact CZ3-O 3.32Å; W340-S391 WeakPolarHBondContact CZ3-O 3.3Å; F379-S391 CarbonylContact O-C 3.23Å; F379-S391 WeakPolarHBondContact O-CA 3.49Å; F379-S391 WeakPolarHBondContact O-CB 3.46Å; S391-Y393 WeakPolarHBondContact CB-OH 3.45Å; S391-Y393 WeakPolarHBondContact OG-CE2 3.46Å; S391-Y393 PolarHBondContact OG-OH 3Å; S391-Y393 VanDerWaalsContact OG-OH 3.04Å
392	K	83.8	Confident	88.3	Confident	36 Å²	36	55.7 Å²	55.7	16%	0.157	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-140.9	96.1	-179.1	-177.7	-178.6	173.7	179.3	0	110.1	W340 D346 F378 F379 K394	W340-K392 HydrophobicContact CE3-CB 3.86Å; W340-K392 HydrophobicContact CZ3-CB 4.46Å; D346-K392 HydrophobicContact CB-CD 4.32Å; D346-K392 IonicContact OD1-NZ 3.67Å; D346-K392 PolarHBondContact OD1-NZ 2.03Å; D346-K392 VanDerWaalsContact OD1-NZ 3.15Å; D346-K392 IonicContact OD2-NZ 2.82Å; D346-K392 PolarHBondContact OD2-NZ 2.8Å; F378-K392 CarbonylContact C-O 3.3Å; F378-K392 VanDerWaalsContact CA-O 3.23Å; F378-K392 WeakPolarHBondContact CA-O 3.04Å; F378-K392 WeakPolarHBondContact CB-O 3.08Å; F379-K392 HydrophobicContact CB-CB 4.12Å; F379-K392 HydrophobicContact CD2-CB 4.06Å; F379-K392 HydrophobicContact CD2-CD 4.08Å; F379-K392 HydrophobicContact CD2-CG 4.35Å; F379-K392 HydrophobicContact CE2-CD 4.44Å; F379-K392 PolarHBondContact N-O 3Å; F379-K392 PolarHBondContact O-N 3.35Å; K392-K394 PolarHBondContact O-N 3.05Å
393	Y	79.6	Confident	88.8	Confident	160 Å²	160	61.1 Å²	61.1	63%	0.627	32%	0.323	S	S	*	.			trans	-79.2	44.4	179.8	-47.1	-82.9	0	0	0	112.7	S391	S391-Y393 WeakPolarHBondContact CB-OH 3.45Å; S391-Y393 WeakPolarHBondContact OG-CE2 3.46Å; S391-Y393 PolarHBondContact OG-OH 3Å; S391-Y393 VanDerWaalsContact OG-OH 3.04Å
394	K	79.5	Confident	88.9	Confident	153 Å²	153	57.4 Å²	57.4	67%	0.665	30%	0.3	S	S	*	.	S	Bend	trans	-145.9	131.9	176.9	-69.9	-165.9	177.4	-173.2	0	110.8	P377 K392 G396	P377-K394 CarbonylContact O-C 3.49Å; P377-K394 VanDerWaalsContact O-C 3.24Å; K392-K394 PolarHBondContact O-N 3.05Å; K394-G396 PolarHBondContact O-N 3Å
395	P	77.6	Confident	89	Confident	78 Å²	78	59.8 Å²	59.8	51%	0.506	31%	0.313	S	S	.	.			trans	-57.2	129.2	-175.3	-29.2	34.7	0	0	0	113.8	K375 L376 P377	K375-P395 HydrophobicContact CD-CB 4.41Å; L376-P395 CarbonylContact O-C 3.52Å; L376-P395 WeakPolarHBondContact O-CA 3.3Å; P377-P395 VanDerWaalsContact O-CA 3.26Å; P377-P395 WeakPolarHBondContact O-CA 3.36Å; P377-P395 VanDerWaalsContact O-CD 3.31Å; P377-P395 WeakPolarHBondContact O-CD 3.46Å; P377-P395 WeakPolarHBondContact O-CG 3.42Å
396	G	85.8	Confident	89.1	Confident	7 Å²	7	60.5 Å²	60.5	7%	0.072	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.7	-173	0	0	0	0	0	113	K375 L376 K394 S398	K375-G396 CarbonylContact C-O 3.55Å; K375-G396 WeakPolarHBondContact CA-O 3.48Å; L376-G396 PolarHBondContact N-O 3.12Å; L376-G396 PolarHBondContact O-N 3.24Å; K394-G396 PolarHBondContact O-N 3Å; G396-S398 PolarHBondContact O-N 3.13Å
397	N	89.8	Confident	89.4	Confident	94 Å²	94	62.4 Å²	62.4	50%	0.503	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.3	175.6	-61.2	16.1	0	0	0	108.6	V347	V347-N397 HydrophobicContact CG1-CB 3.95Å; V347-N397 WeakPolarHBondContact CG1-O 3.33Å; V347-N397 HydrophobicContact CG2-CB 4.11Å; V347-N397 PolarHBondContact N-O 3.19Å
398	S	91.3	Very high	89.6	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	169.5	-175.3	69.4	0	0	0	0	112.8	Y345 T373 D374 G396	Y345-S398 CarbonylContact O-C 3.56Å; Y345-S398 VanDerWaalsContact O-CA 3.22Å; Y345-S398 WeakPolarHBondContact O-CA 3.32Å; T373-S398 WeakPolarHBondContact CB-OG 3.31Å; T373-S398 PolarHBondContact N-O 2.66Å; T373-S398 VanDerWaalsContact N-O 3.17Å; T373-S398 PolarHBondContact O-OG 3.29Å; T373-S398 PolarHBondContact OG1-OG 3.15Å; D374-S398 WeakPolarHBondContact O-CB 3.49Å; D374-S398 PolarHBondContact O-N 3.42Å; D374-S398 PolarHBondContact O-OG 3.4Å; G396-S398 PolarHBondContact O-N 3.13Å
399	F	92.1	Very high	89.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.3	165	69	-88.4	0	0	0	111.5	L314 Y345 D346 V347 I351 A354 V370 T371 T373 V401	L314-F399 HydrophobicContact CB-CD1 4.09Å; L314-F399 HydrophobicContact CB-CE1 3.96Å; L314-F399 HydrophobicContact CB-CZ 4.43Å; L314-F399 HydrophobicContact CD2-CB 3.42Å; L314-F399 VanDerWaalsContact CD2-CB 3.42Å; L314-F399 HydrophobicContact CD2-CD1 3.51Å; L314-F399 HydrophobicContact CD2-CD2 4.1Å; L314-F399 HydrophobicContact CD2-CE1 4.2Å; L314-F399 HydrophobicContact CD2-CG 3.43Å; L314-F399 VanDerWaalsContact CD2-CG 3.43Å; L314-F399 HydrophobicContact CG-CD1 4.46Å; Y345-F399 HydrophobicContact CD2-CE2 4.49Å; Y345-F399 PolarHBondContact N-O 2.92Å; Y345-F399 VanDerWaalsContact O-CD1 3.26Å; Y345-F399 WeakPolarHBondContact O-CD1 3.38Å; Y345-F399 PolarHBondContact O-N 2.86Å; D346-F399 VanDerWaalsContact O-CE1 3.31Å; D346-F399 WeakPolarHBondContact O-CE1 3.31Å; V347-F399 HydrophobicContact CG1-CD1 4.38Å; I351-F399 HydrophobicContact CG1-CZ 4.46Å; A354-F399 HydrophobicContact CB-CE2 4.22Å; A354-F399 HydrophobicContact CB-CZ 4.21Å; V370-F399 HydrophobicContact CG1-CB 3.93Å; V370-F399 HydrophobicContact CG1-CD2 3.72Å; V370-F399 HydrophobicContact CG1-CG 4.08Å; T371-F399 CarbonylContact O-C 3.24Å; T371-F399 WeakPolarHBondContact O-CA 3.31Å; T371-F399 VanDerWaalsContact O-CB 3.3Å; T371-F399 WeakPolarHBondContact O-CB 3.35Å; T373-F399 WeakPolarHBondContact OG1-CA 3.43Å; T373-F399 PolarHBondContact OG1-N 3.03Å; F399-V401 HydrophobicContact CD2-CG1 3.95Å; F399-V401 HydrophobicContact CE2-CG1 3.69Å
400	T	92.3	Very high	89.9	Confident	30 Å²	30	68.1 Å²	68.1	18%	0.184	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	160.8	164.6	59.2	0	0	0	0	110	S344 V370 T371 T373	S344-T400 WeakPolarHBondContact OG-CG2 3.25Å; V370-T400 WeakPolarHBondContact CA-O 3.13Å; T371-T400 WeakPolarHBondContact CB-OG1 3.4Å; T371-T400 PolarHBondContact N-O 2.9Å; T371-T400 PolarHBondContact O-N 2.97Å; T373-T400 HydrophobicContact CG2-CG2 4.16Å
401	V	93.6	Very high	90.1	Very high	16 Å²	16	65.9 Å²	65.9	10%	0.097	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.2	179.8	-76.1	0	0	0	0	108.8	Y345 A355 S358 V360 V368 D369 V370 F399	Y345-V401 HydrophobicContact CD2-CG2 4.28Å; Y345-V401 HydrophobicContact CE2-CG2 3.77Å; A355-V401 HydrophobicContact CB-CB 4.36Å; A355-V401 HydrophobicContact CB-CG1 4.34Å; S358-V401 WeakPolarHBondContact OG-CG2 3.37Å; V360-V401 HydrophobicContact CG2-CG2 4.48Å; V368-V401 HydrophobicContact CG1-CB 3.92Å; V368-V401 HydrophobicContact CG1-CG1 3.88Å; D369-V401 CarbonylContact O-C 3.51Å; D369-V401 WeakPolarHBondContact O-CA 3.32Å; V370-V401 HydrophobicContact CG2-CG1 4.26Å; F399-V401 HydrophobicContact CD2-CG1 3.95Å; F399-V401 HydrophobicContact CE2-CG1 3.69Å
402	V	92.7	Very high	90.6	Very high	65 Å²	65	68.7 Å²	68.7	39%	0.394	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.1	-177.9	-154.2	0	0	0	0	108.8	D369	D369-V402 PolarHBondContact N-O 2.81Å; D369-V402 PolarHBondContact O-N 3.42Å
403	K	92.3	Very high	91.2	Very high	138 Å²	138	67.6 Å²	67.6	60%	0.6	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.3	174.8	-170	175.8	-179.4	-178.3	0	109.5	V360 E405	V360-K403 HydrophobicContact CG1-CB 4.06Å; K403-E405 PolarHBondContact O-N 3.28Å
404	V	93.2	Very high	92	Very high	14 Å²	14	60.7 Å²	60.7	9%	0.085	30%	0.303	C	S	.	.			trans	-77.3	110.9	167.6	176.3	0	0	0	0	108.1	R325 L367 D369 R430	R325-V404 HydrophobicContact CG-CG2 4.33Å; R325-V404 VanDerWaalsContact CZ-CG1 3.5Å; L367-V404 HydrophobicContact CB-CB 3.7Å; L367-V404 HydrophobicContact CB-CG1 4.31Å; L367-V404 HydrophobicContact CB-CG2 3.74Å; L367-V404 HydrophobicContact CD1-CG1 4.42Å; L367-V404 PolarHBondContact O-N 2.94Å; D369-V404 HydrophobicContact CB-CG2 4.34Å; V404-R430 HydrophobicContact CG1-CB 4.07Å
405	E	91.7	Very high	92.7	Very high	140 Å²	140	53.5 Å²	53.5	65%	0.654	27%	0.272	S	S	*	.			trans	-76.6	156.6	170.4	-63.1	-178.5	162.4	0	0	110.8	K403 P429 R430	K403-E405 PolarHBondContact O-N 3.28Å; E405-P429 HydrophobicContact CB-CB 4.28Å; E405-P429 CarbonylContact O-C 3.52Å; E405-P429 WeakPolarHBondContact O-CA 3.47Å; E405-P429 WeakPolarHBondContact O-CB 3.43Å; E405-R430 PolarHBondContact O-N 3.27Å
406	E	93.9	Very high	93.5	Very high	108 Å²	108	54.9 Å²	54.9	51%	0.505	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	172.5	-55.3	-158.7	134.7	0	0	109.7	R430 I432	E406-R430 CarbonylContact C-O 3.24Å; E406-R430 WeakPolarHBondContact CA-O 3.2Å; E406-R430 HydrophobicContact CG-CB 4.32Å; E406-R430 WeakPolarHBondContact OE1-CD 3.44Å; E406-I432 HydrophobicContact CB-CD1 4.14Å
407	Y	95.9	Very high	93.9	Very high	101 Å²	101	61 Å²	61	40%	0.396	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.4	-176	-174.1	-90.6	0	0	0	110.5	A409 T413 I418 P429 R430 I431 I432	Y407-A409 HydrophobicContact CD1-CB 4.16Å; Y407-A409 HydrophobicContact CE1-CB 4.27Å; Y407-A409 PolarHBondContact O-N 3.31Å; Y407-T413 HydrophobicContact CE1-CG2 3.92Å; Y407-I418 HydrophobicContact CD1-CD1 4.25Å; Y407-I418 HydrophobicContact CE1-CG2 4.05Å; Y407-I418 HydrophobicContact CE2-CG2 4.47Å; Y407-P429 HydrophobicContact CG-CG 4.36Å; Y407-R430 PolarHBondContact N-O 3.27Å; Y407-I431 HydrophobicContact CD1-CD1 4.5Å; Y407-I432 PolarHBondContact O-N 3.12Å
408	N	96.6	Very high	94.1	Very high	122 Å²	122	58.5 Å²	58.5	65%	0.652	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	98.8	171.7	-68.6	-55.6	0	0	0	108.9
409	A	95.9	Very high	94.1	Very high	10 Å²	10	58.8 Å²	58.8	8%	0.083	28%	0.282	C	S	.	.			trans	-80.1	156.8	175.2	0	0	0	0	0	111.1	Y407 T413 I431 I432 P434	Y407-A409 HydrophobicContact CD1-CB 4.16Å; Y407-A409 HydrophobicContact CE1-CB 4.27Å; Y407-A409 PolarHBondContact O-N 3.31Å; A409-T413 HydrophobicContact CB-CG2 3.97Å; A409-I431 HydrophobicContact CB-CG2 3.49Å; A409-I431 VanDerWaalsContact CB-CG2 3.49Å; A409-I432 PolarHBondContact N-O 2.88Å; A409-I432 VanDerWaalsContact N-O 3.09Å; A409-P434 VanDerWaalsContact O-CD 3.25Å; A409-P434 WeakPolarHBondContact O-CD 3.43Å
410	D	94.8	Very high	94.1	Very high	72 Å²	72	60.8 Å²	60.8	39%	0.385	30%	0.295	S	S	.	.			trans	-91.8	-169.7	158	71.2	8.5	0	0	0	110.6	Y412 T413	D410-Y412 VanDerWaalsContact C-N 3.27Å; D410-Y412 PolarHBondContact O-N 2.96Å; D410-Y412 WeakPolarHBondContact OD1-CA 3.48Å; D410-Y412 PolarHBondContact OD1-N 2.9Å; D410-Y412 WeakPolarHBondContact OD2-CD2 3.17Å; D410-T413 PolarHBondContact N-OG1 3.05Å; D410-T413 VanDerWaalsContact N-OG1 3.11Å; D410-T413 WeakPolarHBondContact OD1-CB 3.46Å; D410-T413 PolarHBondContact OD1-N 3.33Å; D410-T413 PolarHBondContact OD1-OG1 2.8Å
411	C	95.6	Very high	94	Very high	10 Å²	10	63 Å²	63	7%	0.068	30%	0.301	C	S	.	.	S	Bend	trans	-82.3	0.1	179	-60.6	0	0	0	0	114.5	C437 Q440 S445 S458	C411-C437 WeakPolarHBondContact CA-SG 3.49Å; C411-C437 HydrophobicContact CB-CB 3.66Å; C411-C437 WeakPolarHBondContact CB-SG 3.02Å; C411-C437 WeakPolarHBondContact SG-CA 3.37Å; C411-C437 WeakPolarHBondContact SG-CB 3.43Å; C411-C437 CovalentContact SG-SG 2.05Å; C411-C437 PolarHBondContact SG-SG 3.34Å; C411-Q440 HydrophobicContact CB-CG 3.75Å; C411-S445 WeakPolarHBondContact O-CB 3.34Å; C411-S458 WeakPolarHBondContact O-CB 3.41Å; C411-S458 PolarHBondContact O-OG 2.77Å
412	Y	95.4	Very high	93.6	Very high	88 Å²	88	70.8 Å²	70.8	35%	0.345	33%	0.328	S	S	.	.	S	Bend	trans	-111.1	-36.2	-174.1	-46.4	-52.2	0	0	0	111.1	D410 T414 Q440 W444	D410-Y412 VanDerWaalsContact C-N 3.27Å; D410-Y412 PolarHBondContact O-N 2.96Å; D410-Y412 WeakPolarHBondContact OD1-CA 3.48Å; D410-Y412 PolarHBondContact OD1-N 2.9Å; D410-Y412 WeakPolarHBondContact OD2-CD2 3.17Å; Y412-T414 VanDerWaalsContact O-CG2 3.29Å; Y412-T414 WeakPolarHBondContact O-CG2 3.47Å; Y412-T414 PolarHBondContact O-N 3.47Å; Y412-Q440 HydrophobicContact CE1-CB 4.37Å; Y412-Q440 HydrophobicContact CE1-CG 4.31Å; Y412-Q440 PolarHBondContact OH-OE1 3.15Å; Y412-W444 HydrophobicContact CD1-CB 3.81Å; Y412-W444 VanDerWaalsContact CD1-O 3.28Å; Y412-W444 WeakPolarHBondContact CD1-O 3.1Å; Y412-W444 HydrophobicContact CE1-CB 3.74Å
413	T	95.8	Very high	92.9	Very high	13 Å²	13	76.2 Å²	76.2	8%	0.08	34%	0.342	C	S	.	.			trans	-33.2	123	175.9	-55.7	0	0	0	0	113.3	Y407 A409 D410 I418 I459	Y407-T413 HydrophobicContact CE1-CG2 3.92Å; A409-T413 HydrophobicContact CB-CG2 3.97Å; D410-T413 PolarHBondContact N-OG1 3.05Å; D410-T413 VanDerWaalsContact N-OG1 3.11Å; D410-T413 WeakPolarHBondContact OD1-CB 3.46Å; D410-T413 PolarHBondContact OD1-N 3.33Å; D410-T413 PolarHBondContact OD1-OG1 2.8Å; T413-I418 HydrophobicContact CG2-CD1 4.02Å; T413-I418 HydrophobicContact CG2-CG2 3.83Å; T413-I459 HydrophobicContact CG2-CD1 4.33Å; T413-I459 WeakPolarHBondContact O-CG1 3.38Å; T413-I459 PolarHBondContact O-N 3.34Å
414	T	96.5	Very high	91.6	Very high	15 Å²	15	75 Å²	75	9%	0.092	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-113.9	161.4	-177.1	75.1	0	0	0	0	112.2	Y412 R416 E417 I418 D455 S456	Y412-T414 VanDerWaalsContact O-CG2 3.29Å; Y412-T414 WeakPolarHBondContact O-CG2 3.47Å; Y412-T414 PolarHBondContact O-N 3.47Å; T414-R416 VanDerWaalsContact C-N 3.27Å; T414-R416 PolarHBondContact O-N 3Å; T414-E417 WeakPolarHBondContact CA-OE2 3.44Å; T414-E417 VanDerWaalsContact CB-OE2 3.29Å; T414-E417 WeakPolarHBondContact CB-OE2 3.43Å; T414-E417 PolarHBondContact N-OE2 3.32Å; T414-E417 PolarHBondContact O-N 3.47Å; T414-E417 PolarHBondContact OG1-OE2 2.87Å; T414-I418 PolarHBondContact O-N 3.35Å; T414-D455 WeakPolarHBondContact CB-O 3.47Å; T414-S456 WeakPolarHBondContact CG2-O 3.21Å
415	V	95.1	Very high	90.5	Very high	1 Å²	1	76 Å²	76	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-68	-30.3	175.6	171.6	0	0	0	0	111.8	E417 C419 D455 I459 V478 P480 F508	V415-E417 PolarHBondContact O-N 3.14Å; V415-C419 CarbonylContact O-C 3.47Å; V415-C419 PolarHBondContact O-N 3.39Å; V415-D455 HydrophobicContact CB-CB 4.37Å; V415-D455 HydrophobicContact CG1-CB 4.48Å; V415-D455 PolarHBondContact N-O 2.99Å; V415-D455 VanDerWaalsContact N-O 3.11Å; V415-I459 HydrophobicContact CG2-CD1 3.8Å; V415-I459 HydrophobicContact CG2-CG1 3.76Å; V415-V478 HydrophobicContact CG2-CG1 3.79Å; V415-P480 HydrophobicContact CG1-CB 4.15Å; V415-F508 HydrophobicContact CB-CB 4.41Å; V415-F508 HydrophobicContact CB-CD1 3.9Å; V415-F508 HydrophobicContact CB-CE1 4.25Å; V415-F508 HydrophobicContact CB-CG 4.22Å; V415-F508 HydrophobicContact CG1-CB 4.22Å; V415-F508 HydrophobicContact CG2-CB 3.91Å; V415-F508 HydrophobicContact CG2-CD1 3.5Å; V415-F508 HydrophobicContact CG2-CD2 3.76Å; V415-F508 HydrophobicContact CG2-CE1 3.73Å; V415-F508 HydrophobicContact CG2-CE2 4Å; V415-F508 HydrophobicContact CG2-CG 3.49Å; V415-F508 VanDerWaalsContact CG2-CG 3.49Å; V415-F508 HydrophobicContact CG2-CZ 3.98Å
416	R	93.8	Very high	90	Very high	108 Å²	108	70.3 Å²	70.3	41%	0.408	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-35.2	178.1	-173.4	175.9	-68.9	-175.8	0.5	112.6	T414 D455 D504	T414-R416 VanDerWaalsContact C-N 3.27Å; T414-R416 PolarHBondContact O-N 3Å; R416-D455 HydrophobicContact CB-CB 4.22Å; R416-D455 IonicContact CZ-OD1 3.82Å; R416-D455 IonicContact CZ-OD2 3.35Å; R416-D455 PolarHBondContact N-O 3.37Å; R416-D455 VanDerWaalsContact NE-CG 3.35Å; R416-D455 IonicContact NE-OD1 3.57Å; R416-D455 PolarHBondContact NE-OD1 2.99Å; R416-D455 VanDerWaalsContact NE-OD1 3.16Å; R416-D455 IonicContact NE-OD2 3.95Å; R416-D455 PolarHBondContact NE-OD2 3.41Å; R416-D455 VanDerWaalsContact NE-OD2 3.09Å; R416-D455 IonicContact NH2-OD1 2.74Å; R416-D455 PolarHBondContact NH2-OD1 3.17Å; R416-D455 IonicContact NH2-OD2 3.82Å; R416-D504 PolarHBondContact NH2-O 3.29Å
417	E	93.1	Very high	89.6	Confident	134 Å²	134	67.6 Å²	67.6	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-79.7	-53.8	-179.9	-67.5	149.2	150.6	0	0	111.6	T414 V415	T414-E417 WeakPolarHBondContact CA-OE2 3.44Å; T414-E417 VanDerWaalsContact CB-OE2 3.29Å; T414-E417 WeakPolarHBondContact CB-OE2 3.43Å; T414-E417 PolarHBondContact N-OE2 3.32Å; T414-E417 PolarHBondContact O-N 3.47Å; T414-E417 PolarHBondContact OG1-OE2 2.87Å; V415-E417 PolarHBondContact O-N 3.14Å
418	I	94	Very high	89.4	Confident	42 Å²	42	63 Å²	63	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-92.1	-26.3	-166.1	72.3	178.6	0	0	0	114.8	Y407 T413 T414 P429 I431 I459	Y407-I418 HydrophobicContact CD1-CD1 4.25Å; Y407-I418 HydrophobicContact CE1-CG2 4.05Å; Y407-I418 HydrophobicContact CE2-CG2 4.47Å; T413-I418 HydrophobicContact CG2-CD1 4.02Å; T413-I418 HydrophobicContact CG2-CG2 3.83Å; T414-I418 PolarHBondContact O-N 3.35Å; I418-P429 HydrophobicContact CD1-CG 4.4Å; I418-I431 HydrophobicContact CD1-CD1 3.42Å; I418-I431 VanDerWaalsContact CD1-CD1 3.42Å; I418-I431 HydrophobicContact CD1-CG1 4.47Å; I418-I459 HydrophobicContact CD1-CD1 3.55Å; I418-I459 HydrophobicContact CG1-CD1 4.26Å
419	C	92	Very high	89.3	Confident	8 Å²	8	58.2 Å²	58.2	5%	0.054	28%	0.276	C	S	.	.	S	Bend	trans	-157	58.3	-177.7	57.4	0	0	0	0	113.6	V415 C428	V415-C419 CarbonylContact O-C 3.47Å; V415-C419 PolarHBondContact O-N 3.39Å; C419-C428 HydrophobicContact CB-CB 3.74Å; C419-C428 WeakPolarHBondContact CB-SG 3.37Å; C419-C428 WeakPolarHBondContact SG-CB 3.04Å; C419-C428 CovalentContact SG-SG 2.03Å; C419-C428 PolarHBondContact SG-SG 2.98Å
420	P	91.6	Very high	89.3	Confident	42 Å²	42	59 Å²	59	27%	0.273	28%	0.277	S	S	.	.			trans	-58.2	146	-179.3	23.7	-34.1	0	0	0	112.4	R422 S426	P420-R422 PolarHBondContact O-N 3.39Å; P420-S426 PolarHBondContact O-OG 3.16Å
421	Y	89.7	Confident	89.3	Confident	77 Å²	77	55.5 Å²	55.5	30%	0.302	26%	0.259	S	S	.	.			trans	-65.7	122.7	-177	175.9	-100.9	0	0	0	112.4	R423 L481 E482	Y421-R423 HydrophobicContact CE1-CG 4.14Å; Y421-L481 WeakPolarHBondContact CB-O 3.32Å; Y421-L481 VanDerWaalsContact CD2-C 3.47Å; Y421-L481 VanDerWaalsContact CG-C 3.48Å; Y421-E482 HydrophobicContact CD1-CB 4.19Å; Y421-E482 HydrophobicContact CE1-CB 3.65Å; Y421-E482 HydrophobicContact CE1-CG 4Å
422	R	85.9	Confident	89.4	Confident	178 Å²	178	57.1 Å²	57.1	67%	0.672	27%	0.266	S	S	*	.			trans	-130.3	150.5	174.1	-59	-179.7	-176.4	-175.7	1.8	109.5	P420 S425 S426	P420-R422 PolarHBondContact O-N 3.39Å; R422-S425 CarbonylContact O-C 3.23Å; R422-S425 WeakPolarHBondContact O-CA 3.21Å; R422-S425 PolarHBondContact O-N 3.48Å; R422-S426 WeakPolarHBondContact CB-OG 3.14Å; R422-S426 PolarHBondContact N-OG 3.04Å; R422-S426 PolarHBondContact O-N 3.44Å
423	R	78.8	Confident	89.5	Confident	180 Å²	180	53.1 Å²	53.1	68%	0.679	25%	0.251	S	S	*	.	S	Bend	trans	-91.8	146.8	171.3	-65.7	178.3	175	-154.8	-0.6	109	Y421 E482	Y421-R423 HydrophobicContact CE1-CG 4.14Å; R423-E482 IonicContact CZ-OE1 3.21Å; R423-E482 VanDerWaalsContact CZ-OE1 3.26Å; R423-E482 IonicContact NE-OE1 3.51Å; R423-E482 PolarHBondContact NE-OE1 3.31Å; R423-E482 IonicContact NH2-OE1 2.98Å; R423-E482 PolarHBondContact NH2-OE1 2.93Å; R423-E482 IonicContact NH2-OE2 2.68Å; R423-E482 PolarHBondContact NH2-OE2 2.92Å
424	P	65.5	Low	89.6	Confident	113 Å²	113	55 Å²	55	73%	0.734	26%	0.264	S	S	*	.	S	Bend	cis	-74.8	-26.2	2.8	30	-35.3	0	0	0	114.2
425	S	69.3	Low	89.5	Confident	35 Å²	35	56.9 Å²	56.9	25%	0.245	28%	0.28	C	S	.	.			trans	-160.2	134.1	172.6	55.7	0	0	0	0	112.2	R422	R422-S425 CarbonylContact O-C 3.23Å; R422-S425 WeakPolarHBondContact O-CA 3.21Å; R422-S425 PolarHBondContact O-N 3.48Å
426	S	80.1	Confident	89.3	Confident	20 Å²	20	60.1 Å²	60.1	14%	0.14	30%	0.303	C	S	.	.			trans	-91.8	140.2	158.1	-65.4	0	0	0	0	110.1	P420 R422 P480	P420-S426 PolarHBondContact O-OG 3.16Å; R422-S426 WeakPolarHBondContact CB-OG 3.14Å; R422-S426 PolarHBondContact N-OG 3.04Å; R422-S426 PolarHBondContact O-N 3.44Å; S426-P480 WeakPolarHBondContact O-CG 3.01Å
427	H	87.3	Confident	89.4	Confident	51 Å²	51	55 Å²	55	24%	0.236	28%	0.284	C	S	.	.			trans	-101.3	149.9	162.4	-53.6	-48.5	0	0	0	108.6	D369 T371	D369-H427 HydrophobicContact CB-CB 4.41Å; D369-H427 WeakPolarHBondContact OD2-CB 3.47Å; D369-H427 IonicContact OD2-CG 3.53Å; T371-H427 PolarHBondContact OG1-NE2 2.88Å
428	C	91.4	Very high	89.4	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.027	27%	0.271	C	S	.	.			trans	-108.9	147.9	171.6	-71.5	0	0	0	0	109.4	R325 C419 V478 P480	R325-C428 PolarHBondContact NH2-O 2.83Å; C419-C428 HydrophobicContact CB-CB 3.74Å; C419-C428 WeakPolarHBondContact CB-SG 3.37Å; C419-C428 WeakPolarHBondContact SG-CB 3.04Å; C419-C428 CovalentContact SG-SG 2.03Å; C419-C428 PolarHBondContact SG-SG 2.98Å; C428-V478 HydrophobicContact CB-CB 4Å; C428-V478 HydrophobicContact CB-CG1 4.4Å; C428-P480 VanDerWaalsContact SG-CD 3.56Å
429	P	94.2	Very high	89.3	Confident	21 Å²	21	55.8 Å²	55.8	14%	0.136	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.8	159.2	166.3	24.9	-31.5	0	0	0	110.9	E405 Y407 I418 I431	E405-P429 HydrophobicContact CB-CB 4.28Å; E405-P429 CarbonylContact O-C 3.52Å; E405-P429 WeakPolarHBondContact O-CA 3.47Å; E405-P429 WeakPolarHBondContact O-CB 3.43Å; Y407-P429 HydrophobicContact CG-CG 4.36Å; I418-P429 HydrophobicContact CD1-CG 4.4Å; P429-I431 HydrophobicContact CB-CD1 4.42Å; P429-I431 HydrophobicContact CG-CD1 3.86Å; P429-I431 WeakPolarHBondContact O-CD1 3.33Å; P429-I431 PolarHBondContact O-N 3.17Å
430	R	94.6	Very high	89.3	Confident	26 Å²	26	58.1 Å²	58.1	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	126.5	164.7	167.7	163.6	-72.7	-174	-0.5	108.4	L367 V404 E405 E406 Y407 F475 D477	L367-R430 VanDerWaalsContact CD1-CZ 3.41Å; V404-R430 HydrophobicContact CG1-CB 4.07Å; E405-R430 PolarHBondContact O-N 3.27Å; E406-R430 CarbonylContact C-O 3.24Å; E406-R430 WeakPolarHBondContact CA-O 3.2Å; E406-R430 HydrophobicContact CG-CB 4.32Å; E406-R430 WeakPolarHBondContact OE1-CD 3.44Å; Y407-R430 PolarHBondContact N-O 3.27Å; R430-F475 HydrophobicContact CG-CD1 4.1Å; R430-D477 IonicContact CZ-OD1 2.76Å; R430-D477 IonicContact CZ-OD2 3.22Å; R430-D477 IonicContact NE-OD1 2.83Å; R430-D477 PolarHBondContact NE-OD1 3.3Å; R430-D477 IonicContact NE-OD2 3.19Å; R430-D477 IonicContact NH2-OD1 3.48Å; R430-D477 PolarHBondContact NH2-OD1 3.13Å; R430-D477 IonicContact NH2-OD2 3.81Å; R430-D477 PolarHBondContact NH2-OD2 3.44Å
431	I	96.7	Very high	89.2	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.3	-173.1	-49.1	-53.8	0	0	0	109.5	Y407 A409 I418 P429 I459 F475 V476 V478	Y407-I431 HydrophobicContact CD1-CD1 4.5Å; A409-I431 HydrophobicContact CB-CG2 3.49Å; A409-I431 VanDerWaalsContact CB-CG2 3.49Å; I418-I431 HydrophobicContact CD1-CD1 3.42Å; I418-I431 VanDerWaalsContact CD1-CD1 3.42Å; I418-I431 HydrophobicContact CD1-CG1 4.47Å; P429-I431 HydrophobicContact CB-CD1 4.42Å; P429-I431 HydrophobicContact CG-CD1 3.86Å; P429-I431 WeakPolarHBondContact O-CD1 3.33Å; P429-I431 PolarHBondContact O-N 3.17Å; I431-I459 HydrophobicContact CB-CG2 4.44Å; I431-I459 HydrophobicContact CG1-CD1 4.38Å; I431-I459 HydrophobicContact CG1-CG2 4.25Å; I431-I459 HydrophobicContact CG2-CG2 4.21Å; I431-F475 CarbonylContact O-C 3.59Å; I431-F475 WeakPolarHBondContact O-CA 3.25Å; I431-V476 HydrophobicContact CB-CB 4.39Å; I431-V476 PolarHBondContact N-O 3.22Å; I431-V476 PolarHBondContact O-N 3.2Å; I431-V478 HydrophobicContact CG1-CG2 3.83Å
432	I	97.3	Very high	89	Confident	43 Å²	43	57.7 Å²	57.7	22%	0.221	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.6	170.7	-52.7	-177.5	0	0	0	106.4	E406 Y407 A409 F475	E406-I432 HydrophobicContact CB-CD1 4.14Å; Y407-I432 PolarHBondContact O-N 3.12Å; A409-I432 PolarHBondContact N-O 2.88Å; A409-I432 VanDerWaalsContact N-O 3.09Å; I432-F475 HydrophobicContact CD1-CE1 3.89Å; I432-F475 HydrophobicContact CG1-CD1 3.87Å; I432-F475 HydrophobicContact CG1-CE1 3.74Å
433	C	97.4	Very high	88.9	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.2	-178.6	-74.4	0	0	0	0	111.6	C460 I469 G473 G474	C433-C460 WeakPolarHBondContact CA-SG 3.41Å; C433-C460 HydrophobicContact CB-CB 3.62Å; C433-C460 WeakPolarHBondContact CB-SG 3.31Å; C433-C460 WeakPolarHBondContact SG-CA 3.44Å; C433-C460 WeakPolarHBondContact SG-CB 3.44Å; C433-C460 CovalentContact SG-SG 2.04Å; C433-C460 PolarHBondContact SG-SG 3.34Å; C433-I469 HydrophobicContact CB-CD1 3.67Å; C433-G473 CarbonylContact O-C 3.59Å; C433-G473 VanDerWaalsContact O-CA 3.28Å; C433-G473 WeakPolarHBondContact O-CA 3.42Å; C433-G474 WeakPolarHBondContact CB-O 3.49Å; C433-G474 PolarHBondContact N-O 3.03Å; C433-G474 PolarHBondContact O-N 3.49Å
434	P	96.9	Very high	89.2	Confident	53 Å²	53	57.7 Å²	57.7	34%	0.344	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-78.5	167.1	176.9	31.5	-32.7	0	0	0	111.6	A409	A409-P434 VanDerWaalsContact O-CD 3.25Å; A409-P434 WeakPolarHBondContact O-CD 3.43Å
435	A	94.5	Very high	90.5	Very high	53 Å²	53	52.3 Å²	52.3	44%	0.438	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	165	172.5	0	0	0	0	0	112.3	C437 D472	A435-C437 PolarHBondContact O-N 2.99Å; A435-D472 WeakPolarHBondContact CA-O 3.5Å; A435-D472 WeakPolarHBondContact CB-O 3.07Å
436	S	91.9	Very high	91.6	Very high	70 Å²	70	52.2 Å²	52.2	49%	0.49	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	5	169.4	-55.1	0	0	0	0	116.8	K438 T439 A471	S436-K438 PolarHBondContact O-N 2.99Å; S436-T439 PolarHBondContact O-N 3.17Å; S436-T439 PolarHBondContact O-OG1 2.04Å; S436-A471 PolarHBondContact N-O 3.45Å
437	C	94.6	Very high	92.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59.7	-16.4	173	-60.8	0	0	0	0	114.3	C411 A435 C460 K461 I464	C411-C437 WeakPolarHBondContact CA-SG 3.49Å; C411-C437 HydrophobicContact CB-CB 3.66Å; C411-C437 WeakPolarHBondContact CB-SG 3.02Å; C411-C437 WeakPolarHBondContact SG-CA 3.37Å; C411-C437 WeakPolarHBondContact SG-CB 3.43Å; C411-C437 CovalentContact SG-SG 2.05Å; C411-C437 PolarHBondContact SG-SG 3.34Å; A435-C437 PolarHBondContact O-N 2.99Å; C437-C460 HydrophobicContact CB-CB 4.21Å; C437-K461 WeakPolarHBondContact O-CD 3.47Å; C437-K461 WeakPolarHBondContact O-CG 3.39Å; C437-I464 HydrophobicContact CB-CD1 4.14Å
438	K	94.2	Very high	92.8	Very high	82 Å²	82	49.3 Å²	49.3	36%	0.357	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-65.4	-35.1	172.1	178.2	166.8	174.3	173.3	0	113.4	S436 Q440 I464 A471 N493 G494 I495	S436-K438 PolarHBondContact O-N 2.99Å; K438-Q440 VanDerWaalsContact C-N 3.32Å; K438-I464 HydrophobicContact CB-CD1 4.14Å; K438-I464 HydrophobicContact CB-CG2 4.38Å; K438-I464 HydrophobicContact CD-CG2 4.34Å; K438-A471 HydrophobicContact CB-CB 4.24Å; K438-A471 HydrophobicContact CD-CB 4.42Å; K438-N493 PolarHBondContact NZ-O 3.34Å; K438-G494 VanDerWaalsContact CE-O 3.26Å; K438-G494 WeakPolarHBondContact CE-O 3.26Å; K438-I495 HydrophobicContact CB-CD1 4.44Å; K438-I495 HydrophobicContact CD-CG1 4.46Å; K438-I495 HydrophobicContact CG-CD1 4.14Å; K438-I495 HydrophobicContact CG-CG1 4.03Å
439	T	92.1	Very high	92.9	Very high	110 Å²	110	49.1 Å²	49.1	68%	0.675	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-87	-2.6	-175.8	51.2	0	0	0	0	113.2	S436	S436-T439 PolarHBondContact O-N 3.17Å; S436-T439 PolarHBondContact O-OG1 2.04Å
440	Q	92.1	Very high	92.8	Very high	57 Å²	57	50.2 Å²	50.2	27%	0.266	26%	0.264	S	S	.	.	S	Bend	trans	-72.4	134.7	-179.3	-67.2	-61.7	-7.5	0	0	111.6	C411 Y412 K438 S445 K461	C411-Q440 HydrophobicContact CB-CG 3.75Å; Y412-Q440 HydrophobicContact CE1-CB 4.37Å; Y412-Q440 HydrophobicContact CE1-CG 4.31Å; Y412-Q440 PolarHBondContact OH-OE1 3.15Å; K438-Q440 VanDerWaalsContact C-N 3.32Å; Q440-S445 VanDerWaalsContact CB-OG 3.31Å; Q440-S445 WeakPolarHBondContact CB-OG 3.26Å; Q440-S445 PolarHBondContact O-OG 2.91Å; Q440-S445 VanDerWaalsContact O-OG 3.07Å; Q440-K461 PolarHBondContact O-NZ 3.3Å
441	P	88.9	Confident	92.5	Very high	62 Å²	62	53.2 Å²	53.2	40%	0.403	28%	0.283	S	S	.	.			trans	-57	139.3	178.4	-29.4	38	0	0	0	113	Y443 W444 S445	P441-Y443 PolarHBondContact O-N 3.31Å; P441-W444 HydrophobicContact CB-CE3 3.92Å; P441-W444 HydrophobicContact CB-CZ3 4.19Å; P441-W444 HydrophobicContact CG-CE3 3.86Å; P441-W444 HydrophobicContact CG-CZ3 3.8Å; P441-W444 PolarHBondContact O-N 2.98Å; P441-S445 PolarHBondContact O-N 2.8Å; P441-S445 PolarHBondContact O-OG 2.74Å
442	S	85.8	Confident	92.4	Very high	48 Å²	48	54.5 Å²	54.5	34%	0.336	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.1	-175.7	-60.2	0	0	0	0	114.6	S445 P446 K461	S442-S445 WeakPolarHBondContact CA-O 3.3Å; S442-S445 CarbonylContact O-C 3.18Å; S442-S445 VanDerWaalsContact O-C 3.3Å; S442-P446 VanDerWaalsContact O-CA 3.22Å; S442-P446 WeakPolarHBondContact O-CA 3.35Å; S442-P446 VanDerWaalsContact O-N 3.07Å; S442-K461 VanDerWaalsContact CA-NZ 3.33Å; S442-K461 PolarHBondContact OG-NZ 3.13Å
443	Y	84	Confident	92.3	Very high	202 Å²	202	52.5 Å²	52.5	79%	0.792	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-42.4	172.4	-178.9	-102.9	0	0	0	112.7	P441	P441-Y443 PolarHBondContact O-N 3.31Å
444	W	84.9	Confident	92.2	Very high	157 Å²	157	52.4 Å²	52.4	60%	0.595	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-23.9	175.7	-59.9	-54.4	0	0	0	113.1	Y412 P441 P446	Y412-W444 HydrophobicContact CD1-CB 3.81Å; Y412-W444 VanDerWaalsContact CD1-O 3.28Å; Y412-W444 WeakPolarHBondContact CD1-O 3.1Å; Y412-W444 HydrophobicContact CE1-CB 3.74Å; P441-W444 HydrophobicContact CB-CE3 3.92Å; P441-W444 HydrophobicContact CB-CZ3 4.19Å; P441-W444 HydrophobicContact CG-CE3 3.86Å; P441-W444 HydrophobicContact CG-CZ3 3.8Å; P441-W444 PolarHBondContact O-N 2.98Å; W444-P446 VanDerWaalsContact C-CD 3.48Å
445	S	91.6	Very high	92.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-127	70.8	179.9	57.6	0	0	0	0	110.7	C411 Q440 P441 S442 K461	C411-S445 WeakPolarHBondContact O-CB 3.34Å; Q440-S445 VanDerWaalsContact CB-OG 3.31Å; Q440-S445 WeakPolarHBondContact CB-OG 3.26Å; Q440-S445 PolarHBondContact O-OG 2.91Å; Q440-S445 VanDerWaalsContact O-OG 3.07Å; P441-S445 PolarHBondContact O-N 2.8Å; P441-S445 PolarHBondContact O-OG 2.74Å; S442-S445 WeakPolarHBondContact CA-O 3.3Å; S442-S445 CarbonylContact O-C 3.18Å; S442-S445 VanDerWaalsContact O-C 3.3Å; S445-K461 WeakPolarHBondContact O-CD 3.03Å; S445-K461 WeakPolarHBondContact O-CE 3.35Å; S445-K461 PolarHBondContact O-NZ 2.84Å; S445-K461 VanDerWaalsContact OG-CD 3.25Å; S445-K461 WeakPolarHBondContact OG-CD 3.49Å; S445-K461 PolarHBondContact OG-NZ 3.18Å
446	P	93.6	Very high	92	Very high	33 Å²	33	49.4 Å²	49.4	21%	0.214	25%	0.254	C	S	.	.			trans	-68.4	149.2	-178.8	28.4	-35.9	0	0	0	111.2	S442 W444 S456 S457 S458	S442-P446 VanDerWaalsContact O-CA 3.22Å; S442-P446 WeakPolarHBondContact O-CA 3.35Å; S442-P446 VanDerWaalsContact O-N 3.07Å; W444-P446 VanDerWaalsContact C-CD 3.48Å; P446-S456 WeakPolarHBondContact CG-O 3.32Å; P446-S457 CarbonylContact O-C 3.5Å; P446-S457 WeakPolarHBondContact O-CA 3.48Å; P446-S458 PolarHBondContact O-N 3.36Å
447	V	96.8	Very high	92.2	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.231	C	C	.	.			trans	-134.1	101.1	173.1	-178.5	0	0	0	0	107.5	Y453 K461 H465 I495 S497 E498	V447-Y453 HydrophobicContact CG1-CD1 3.91Å; V447-Y453 HydrophobicContact CG1-CE1 3.79Å; V447-K461 HydrophobicContact CG2-CB 4.02Å; V447-K461 HydrophobicContact CG2-CD 4.04Å; V447-K461 HydrophobicContact CG2-CG 3.77Å; V447-H465 HydrophobicContact CG1-CB 4.24Å; V447-I495 HydrophobicContact CG2-CG2 4.4Å; V447-S497 CarbonylContact O-C 3.5Å; V447-S497 WeakPolarHBondContact O-CA 3.11Å; V447-S497 WeakPolarHBondContact O-CB 3.47Å; V447-E498 PolarHBondContact O-N 2.67Å
448	V	95.3	Very high	92.4	Very high	7 Å²	7	46 Å²	46	4%	0.042	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-105.9	118.3	-177.7	-178.4	0	0	0	0	109.4	Y453 A454 S457 Y487 E498 Q500	V448-Y453 WeakPolarHBondContact O-CA 3.2Å; V448-Y453 WeakPolarHBondContact O-CB 3.28Å; V448-Y453 WeakPolarHBondContact O-CD1 3.42Å; V448-A454 HydrophobicContact CB-CB 3.92Å; V448-A454 HydrophobicContact CG1-CB 4.07Å; V448-A454 PolarHBondContact O-N 3.43Å; V448-A454 VanDerWaalsContact O-N 3.13Å; V448-S457 PolarHBondContact N-OG 2.94Å; V448-Y487 HydrophobicContact CG1-CD2 4.03Å; V448-Y487 HydrophobicContact CG1-CG 4.16Å; V448-E498 HydrophobicContact CG2-CB 4.39Å; V448-Q500 HydrophobicContact CG1-CB 3.63Å
449	G	94.4	Very high	92.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	98.6	-163	177.8	0	0	0	0	0	116.7	Y453 H465 A488 S497 E498	G449-Y453 VanDerWaalsContact O-CE1 3.31Å; G449-Y453 WeakPolarHBondContact O-CE1 3.45Å; G449-H465 PolarHBondContact O-CE1 3.04Å; G449-A488 CarbonylContact C-O 3.4Å; G449-A488 VanDerWaalsContact C-O 3.32Å; G449-A488 WeakPolarHBondContact CA-O 3.16Å; G449-S497 WeakPolarHBondContact O-CB 3.34Å; G449-S497 PolarHBondContact O-OG 3.46Å; G449-E498 PolarHBondContact N-O 3.18Å
450	N	92.3	Very high	92.8	Very high	44 Å²	44	37 Å²	37	24%	0.235	18%	0.182	C	C	.	.	S	Bend	trans	-160.4	125.7	-169.7	-179.5	19.4	0	0	0	110.8	I452 H465 A488 V490	N450-I452 PolarHBondContact N-O 2.84Å; N450-I452 PolarHBondContact O-N 2.84Å; N450-H465 WeakPolarHBondContact CA-CE1 3.41Å; N450-H465 VanDerWaalsContact CB-CE1 3.48Å; N450-H465 WeakPolarHBondContact CB-CE1 3.32Å; N450-A488 VanDerWaalsContact CB-O 3.27Å; N450-A488 WeakPolarHBondContact CB-O 3.45Å; N450-V490 HydrophobicContact CB-CG1 4.48Å; N450-V490 HydrophobicContact CB-CG2 3.96Å; N450-V490 WeakPolarHBondContact ND2-CG2 3.49Å
451	N	88	Confident	93	Very high	90 Å²	90	34.4 Å²	34.4	48%	0.481	17%	0.171	S	C	.	.	S	Bend	trans	62.1	-37.9	-170.8	-47.5	-69.6	0	0	0	115	Y453	N451-Y453 PolarHBondContact N-OH 2.04Å
452	I	93.3	Very high	93.4	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.138	15%	0.151	C	C	.	.	S	Bend	trans	-123.9	132.7	163.9	-68.8	163.5	0	0	0	107.4	N450 L481 Y487 F508 R509	N450-I452 PolarHBondContact N-O 2.84Å; N450-I452 PolarHBondContact O-N 2.84Å; I452-L481 HydrophobicContact CD1-CD1 4.16Å; I452-L481 HydrophobicContact CG1-CD1 4.16Å; I452-L481 HydrophobicContact CG2-CD1 4.37Å; I452-Y487 HydrophobicContact CG2-CE1 4.43Å; I452-F508 VanDerWaalsContact CA-O 3.29Å; I452-F508 WeakPolarHBondContact CA-O 3.49Å; I452-R509 HydrophobicContact CG1-CB 4.17Å
453	Y	95.4	Very high	93.9	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.5	-169	-60.2	-93.8	0	0	0	110.6	V447 V448 G449 N451 H465 A466 S507 F508 M510	V447-Y453 HydrophobicContact CG1-CD1 3.91Å; V447-Y453 HydrophobicContact CG1-CE1 3.79Å; V448-Y453 WeakPolarHBondContact O-CA 3.2Å; V448-Y453 WeakPolarHBondContact O-CB 3.28Å; V448-Y453 WeakPolarHBondContact O-CD1 3.42Å; G449-Y453 VanDerWaalsContact O-CE1 3.31Å; G449-Y453 WeakPolarHBondContact O-CE1 3.45Å; N451-Y453 PolarHBondContact N-OH 2.04Å; Y453-H465 AromaticContact CE1-CE1 3.71Å; Y453-H465 AromaticContact CE1-ND1 3.36Å; Y453-H465 WeakPolarHBondContact CE1-ND1 2.98Å; Y453-H465 AromaticContact CZ-CE1 3.97Å; Y453-H465 AromaticContact CZ-ND1 3.52Å; Y453-H465 PolarHBondContact OH-CE1 3.5Å; Y453-H465 PolarHBondContact OH-ND1 3.12Å; Y453-A466 HydrophobicContact CE2-CB 4.33Å; Y453-S507 CarbonylContact O-C 3.32Å; Y453-S507 WeakPolarHBondContact O-CA 3.23Å; Y453-S507 VanDerWaalsContact O-CB 3.32Å; Y453-S507 WeakPolarHBondContact O-CB 3.25Å; Y453-F508 PolarHBondContact N-O 2.78Å; Y453-F508 PolarHBondContact O-N 2.9Å; Y453-M510 HydrophobicContact CD2-CE 3.31Å; Y453-M510 HydrophobicContact CE2-CE 3.26Å; Y453-M510 HydrophobicContact CG-CE 4.13Å
454	A	95.4	Very high	94.5	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.025	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142	171.8	0	0	0	0	0	110.1	V448 S456 S457 Y487 F508	V448-A454 HydrophobicContact CB-CB 3.92Å; V448-A454 HydrophobicContact CG1-CB 4.07Å; V448-A454 PolarHBondContact O-N 3.43Å; V448-A454 VanDerWaalsContact O-N 3.13Å; A454-S456 PolarHBondContact O-N 2.98Å; A454-S456 VanDerWaalsContact O-N 3.07Å; A454-S457 VanDerWaalsContact O-CB 3.26Å; A454-S457 WeakPolarHBondContact O-CB 3.49Å; A454-S457 PolarHBondContact O-N 3.39Å; A454-S457 PolarHBondContact O-OG 3.19Å; A454-Y487 HydrophobicContact CB-CD2 4.09Å; A454-Y487 HydrophobicContact CB-CE1 4.34Å; A454-Y487 HydrophobicContact CB-CE2 3.6Å; A454-F508 WeakPolarHBondContact O-CE1 3.46Å
455	D	94.8	Very high	95	Very high	9 Å²	9	12.4 Å²	12.4	5%	0.048	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.5	-177.5	68.4	-25.5	0	0	0	115	T414 V415 R416 S457 G506	T414-D455 WeakPolarHBondContact CB-O 3.47Å; V415-D455 HydrophobicContact CB-CB 4.37Å; V415-D455 HydrophobicContact CG1-CB 4.48Å; V415-D455 PolarHBondContact N-O 2.99Å; V415-D455 VanDerWaalsContact N-O 3.11Å; R416-D455 HydrophobicContact CB-CB 4.22Å; R416-D455 IonicContact CZ-OD1 3.82Å; R416-D455 IonicContact CZ-OD2 3.35Å; R416-D455 PolarHBondContact N-O 3.37Å; R416-D455 VanDerWaalsContact NE-CG 3.35Å; R416-D455 IonicContact NE-OD1 3.57Å; R416-D455 PolarHBondContact NE-OD1 2.99Å; R416-D455 VanDerWaalsContact NE-OD1 3.16Å; R416-D455 IonicContact NE-OD2 3.95Å; R416-D455 PolarHBondContact NE-OD2 3.41Å; R416-D455 VanDerWaalsContact NE-OD2 3.09Å; R416-D455 IonicContact NH2-OD1 2.74Å; R416-D455 PolarHBondContact NH2-OD1 3.17Å; R416-D455 IonicContact NH2-OD2 3.82Å; D455-S457 VanDerWaalsContact C-N 3.29Å; D455-G506 PolarHBondContact N-O 3.37Å; D455-G506 PolarHBondContact OD1-N 3.12Å; D455-G506 PolarHBondContact OD2-N 2.71Å
456	S	93.8	Very high	95.2	Very high	33 Å²	33	13.2 Å²	13.2	23%	0.231	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.7	170.9	56.2	0	0	0	0	115.1	T414 P446 A454	T414-S456 WeakPolarHBondContact CG2-O 3.21Å; P446-S456 WeakPolarHBondContact CG-O 3.32Å; A454-S456 PolarHBondContact O-N 2.98Å; A454-S456 VanDerWaalsContact O-N 3.07Å
457	S	96.1	Very high	95.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-82.7	140	177.3	-50.8	0	0	0	0	111.2	P446 V448 A454 D455 I459 S462	P446-S457 CarbonylContact O-C 3.5Å; P446-S457 WeakPolarHBondContact O-CA 3.48Å; V448-S457 PolarHBondContact N-OG 2.94Å; A454-S457 VanDerWaalsContact O-CB 3.26Å; A454-S457 WeakPolarHBondContact O-CB 3.49Å; A454-S457 PolarHBondContact O-N 3.39Å; A454-S457 PolarHBondContact O-OG 3.19Å; D455-S457 VanDerWaalsContact C-N 3.29Å; S457-I459 PolarHBondContact O-N 2.84Å; S457-S462 WeakPolarHBondContact CB-OG 3.14Å
458	S	97.1	Very high	95.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-55.5	121.2	170.9	158.8	0	0	0	0	110	C411 P446 K461 S462	C411-S458 WeakPolarHBondContact O-CB 3.41Å; C411-S458 PolarHBondContact O-OG 2.77Å; P446-S458 PolarHBondContact O-N 3.36Å; S458-K461 WeakPolarHBondContact OG-CB 3.06Å; S458-K461 PolarHBondContact OG-N 2.9Å; S458-S462 WeakPolarHBondContact O-CB 3.44Å; S458-S462 PolarHBondContact O-N 2.83Å; S458-S462 PolarHBondContact O-OG 2.89Å
459	I	97.5	Very high	95.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-52.7	-175.4	-64.1	170.5	0	0	0	110.1	T413 V415 I418 I431 S457 K461 S462 A463 V478 F508	T413-I459 HydrophobicContact CG2-CD1 4.33Å; T413-I459 WeakPolarHBondContact O-CG1 3.38Å; T413-I459 PolarHBondContact O-N 3.34Å; V415-I459 HydrophobicContact CG2-CD1 3.8Å; V415-I459 HydrophobicContact CG2-CG1 3.76Å; I418-I459 HydrophobicContact CD1-CD1 3.55Å; I418-I459 HydrophobicContact CG1-CD1 4.26Å; I431-I459 HydrophobicContact CB-CG2 4.44Å; I431-I459 HydrophobicContact CG1-CD1 4.38Å; I431-I459 HydrophobicContact CG1-CG2 4.25Å; I431-I459 HydrophobicContact CG2-CG2 4.21Å; S457-I459 PolarHBondContact O-N 2.84Å; I459-K461 PolarHBondContact O-N 3.49Å; I459-S462 PolarHBondContact O-N 2.91Å; I459-A463 WeakPolarHBondContact O-CB 3.46Å; I459-A463 PolarHBondContact O-N 3.08Å; I459-V478 HydrophobicContact CG2-CG2 3.91Å; I459-F508 HydrophobicContact CG1-CE2 4.48Å; I459-F508 HydrophobicContact CG1-CZ 4.33Å
460	C	97.1	Very high	95.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-39.3	-171.8	-62.9	0	0	0	0	112.9	C433 C437 A463 I464	C433-C460 WeakPolarHBondContact CA-SG 3.41Å; C433-C460 HydrophobicContact CB-CB 3.62Å; C433-C460 WeakPolarHBondContact CB-SG 3.31Å; C433-C460 WeakPolarHBondContact SG-CA 3.44Å; C433-C460 WeakPolarHBondContact SG-CB 3.44Å; C433-C460 CovalentContact SG-SG 2.04Å; C433-C460 PolarHBondContact SG-SG 3.34Å; C437-C460 HydrophobicContact CB-CB 4.21Å; C460-A463 PolarHBondContact O-N 3.49Å; C460-I464 WeakPolarHBondContact O-CG1 3.18Å; C460-I464 PolarHBondContact O-N 3.46Å
461	K	96.8	Very high	95.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-72.1	-35.7	175.4	-167.6	175.9	164	-171.9	0	111.9	C437 Q440 S442 S445 V447 S458 I459 A463 I464 H465 I495	C437-K461 WeakPolarHBondContact O-CD 3.47Å; C437-K461 WeakPolarHBondContact O-CG 3.39Å; Q440-K461 PolarHBondContact O-NZ 3.3Å; S442-K461 VanDerWaalsContact CA-NZ 3.33Å; S442-K461 PolarHBondContact OG-NZ 3.13Å; S445-K461 WeakPolarHBondContact O-CD 3.03Å; S445-K461 WeakPolarHBondContact O-CE 3.35Å; S445-K461 PolarHBondContact O-NZ 2.84Å; S445-K461 VanDerWaalsContact OG-CD 3.25Å; S445-K461 WeakPolarHBondContact OG-CD 3.49Å; S445-K461 PolarHBondContact OG-NZ 3.18Å; V447-K461 HydrophobicContact CG2-CB 4.02Å; V447-K461 HydrophobicContact CG2-CD 4.04Å; V447-K461 HydrophobicContact CG2-CG 3.77Å; S458-K461 WeakPolarHBondContact OG-CB 3.06Å; S458-K461 PolarHBondContact OG-N 2.9Å; I459-K461 PolarHBondContact O-N 3.49Å; K461-A463 VanDerWaalsContact C-N 3.3Å; K461-A463 PolarHBondContact O-N 2.87Å; K461-I464 PolarHBondContact O-N 3.11Å; K461-H465 WeakPolarHBondContact O-CB 3.25Å; K461-H465 PolarHBondContact O-N 2.96Å; K461-I495 HydrophobicContact CG-CD1 3.89Å; K461-I495 WeakPolarHBondContact O-CD1 3.48Å
462	S	97.2	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-35.6	170.8	-57	0	0	0	0	111.8	S457 S458 I459 H465 A466	S457-S462 WeakPolarHBondContact CB-OG 3.14Å; S458-S462 WeakPolarHBondContact O-CB 3.44Å; S458-S462 PolarHBondContact O-N 2.83Å; S458-S462 PolarHBondContact O-OG 2.89Å; I459-S462 PolarHBondContact O-N 2.91Å; S462-H465 WeakPolarHBondContact O-CB 3.23Å; S462-H465 PolarHBondContact O-N 3.42Å; S462-A466 VanDerWaalsContact O-CB 3.27Å; S462-A466 WeakPolarHBondContact O-CB 3.4Å; S462-A466 PolarHBondContact O-N 2.79Å
463	A	96.8	Very high	95.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-39.1	179.3	0	0	0	0	0	112.2	I459 C460 K461 A466 G467 V468 I469 V476 M510	I459-A463 WeakPolarHBondContact O-CB 3.46Å; I459-A463 PolarHBondContact O-N 3.08Å; C460-A463 PolarHBondContact O-N 3.49Å; K461-A463 VanDerWaalsContact C-N 3.3Å; K461-A463 PolarHBondContact O-N 2.87Å; A463-A466 PolarHBondContact O-N 3.22Å; A463-G467 PolarHBondContact O-N 3.25Å; A463-V468 HydrophobicContact CB-CB 4.27Å; A463-V468 PolarHBondContact O-N 3.06Å; A463-I469 HydrophobicContact CB-CD1 3.96Å; A463-I469 HydrophobicContact CB-CG1 3.68Å; A463-V476 HydrophobicContact CB-CG1 4.26Å; A463-V476 HydrophobicContact CB-CG2 3.69Å; A463-M510 WeakPolarHBondContact CA-SD 3.34Å; A463-M510 HydrophobicContact CB-SD 3.58Å; A463-M510 VanDerWaalsContact CB-SD 3.58Å; A463-M510 PolarHBondContact N-SD 2.57Å
464	I	96.6	Very high	95.4	Very high	7 Å²	7	25 Å²	25	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-46	171.4	-61	165.3	0	0	0	110.3	C437 K438 C460 K461 A466 G467 I469 N493 I495	C437-I464 HydrophobicContact CB-CD1 4.14Å; K438-I464 HydrophobicContact CB-CD1 4.14Å; K438-I464 HydrophobicContact CB-CG2 4.38Å; K438-I464 HydrophobicContact CD-CG2 4.34Å; C460-I464 WeakPolarHBondContact O-CG1 3.18Å; C460-I464 PolarHBondContact O-N 3.46Å; K461-I464 PolarHBondContact O-N 3.11Å; I464-A466 PolarHBondContact O-N 3.25Å; I464-G467 PolarHBondContact O-N 3.27Å; I464-G467 VanDerWaalsContact O-N 3.15Å; I464-I469 HydrophobicContact CG1-CD1 4.07Å; I464-I469 HydrophobicContact CG1-CG1 3.91Å; I464-N493 WeakPolarHBondContact O-CB 3.4Å; I464-N493 PolarHBondContact O-ND2 3.41Å; I464-I495 HydrophobicContact CB-CD1 3.86Å; I464-I495 HydrophobicContact CG2-CD1 3.69Å
465	H	96.5	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-45.2	175.8	171	-100	0	0	0	112.1	V447 G449 N450 Y453 K461 S462 G467 V490 K492 N493 I495 S497	V447-H465 HydrophobicContact CG1-CB 4.24Å; G449-H465 PolarHBondContact O-CE1 3.04Å; N450-H465 WeakPolarHBondContact CA-CE1 3.41Å; N450-H465 VanDerWaalsContact CB-CE1 3.48Å; N450-H465 WeakPolarHBondContact CB-CE1 3.32Å; Y453-H465 AromaticContact CE1-CE1 3.71Å; Y453-H465 AromaticContact CE1-ND1 3.36Å; Y453-H465 WeakPolarHBondContact CE1-ND1 2.98Å; Y453-H465 AromaticContact CZ-CE1 3.97Å; Y453-H465 AromaticContact CZ-ND1 3.52Å; Y453-H465 PolarHBondContact OH-CE1 3.5Å; Y453-H465 PolarHBondContact OH-ND1 3.12Å; K461-H465 WeakPolarHBondContact O-CB 3.25Å; K461-H465 PolarHBondContact O-N 2.96Å; S462-H465 WeakPolarHBondContact O-CB 3.23Å; S462-H465 PolarHBondContact O-N 3.42Å; H465-G467 VanDerWaalsContact C-N 3.26Å; H465-G467 PolarHBondContact O-N 3.05Å; H465-V490 WeakPolarHBondContact CE1-CG2 3.27Å; H465-V490 WeakPolarHBondContact NE2-CG2 3.49Å; H465-V490 PolarHBondContact NE2-O 3.06Å; H465-K492 VanDerWaalsContact O-CD 3.26Å; H465-K492 WeakPolarHBondContact O-CD 3.41Å; H465-K492 VanDerWaalsContact O-CG 3.29Å; H465-K492 WeakPolarHBondContact O-CG 2.95Å; H465-N493 PolarHBondContact O-ND2 3.15Å; H465-I495 HydrophobicContact CB-CB 4.09Å; H465-I495 HydrophobicContact CB-CD1 4.17Å; H465-I495 HydrophobicContact CB-CG2 4.07Å; H465-I495 PolarHBondContact CD2-O 2.9Å; H465-I495 VanDerWaalsContact CD2-O 3.29Å; H465-S497 PolarHBondContact CE1-OG 2.84Å; H465-S497 VanDerWaalsContact NE2-CB 3.32Å; H465-S497 WeakPolarHBondContact NE2-CB 3.19Å; H465-S497 PolarHBondContact NE2-N 3.46Å; H465-S497 PolarHBondContact NE2-OG 2.79Å
466	A	95	Very high	95.4	Very high	16 Å²	16	28 Å²	28	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-29.6	177.2	0	0	0	0	0	112.7	Y453 S462 A463 I464 V468 K492 M510	Y453-A466 HydrophobicContact CE2-CB 4.33Å; S462-A466 VanDerWaalsContact O-CB 3.27Å; S462-A466 WeakPolarHBondContact O-CB 3.4Å; S462-A466 PolarHBondContact O-N 2.79Å; A463-A466 PolarHBondContact O-N 3.22Å; I464-A466 PolarHBondContact O-N 3.25Å; A466-V468 HydrophobicContact CB-CG2 3.84Å; A466-K492 WeakPolarHBondContact O-CE 3.45Å; A466-K492 PolarHBondContact O-NZ 2.98Å; A466-M510 HydrophobicContact CB-CE 4.09Å
467	G	93.9	Very high	95.4	Very high	48 Å²	48	26.5 Å²	26.5	50%	0.495	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	25.8	-172.9	0	0	0	0	0	113.4	A463 I464 H465 N493	A463-G467 PolarHBondContact O-N 3.25Å; I464-G467 PolarHBondContact O-N 3.27Å; I464-G467 VanDerWaalsContact O-N 3.15Å; H465-G467 VanDerWaalsContact C-N 3.26Å; H465-G467 PolarHBondContact O-N 3.05Å; G467-N493 WeakPolarHBondContact CA-ND2 3.5Å; G467-N493 PolarHBondContact N-ND2 2.98Å; G467-N493 VanDerWaalsContact N-ND2 3.15Å
468	V	94.3	Very high	95.3	Very high	34 Å²	34	26.6 Å²	26.6	21%	0.206	16%	0.161	C	C	.	.	S	Bend	trans	-83.3	-37	178.8	172.5	0	0	0	0	110.9	A463 A466 V476 M510 F511 A512	A463-V468 HydrophobicContact CB-CB 4.27Å; A463-V468 PolarHBondContact O-N 3.06Å; A466-V468 HydrophobicContact CB-CG2 3.84Å; V468-V476 HydrophobicContact CG1-CG1 4.17Å; V468-V476 HydrophobicContact CG1-CG2 4.32Å; V468-M510 HydrophobicContact CG2-CB 4.11Å; V468-F511 VanDerWaalsContact CG1-C 3.49Å; V468-F511 VanDerWaalsContact CG1-O 3.32Å; V468-F511 WeakPolarHBondContact CG1-O 3.22Å; V468-A512 HydrophobicContact CG1-CB 4.43Å
469	I	95	Very high	95	Very high	23 Å²	23	27.2 Å²	27.2	12%	0.118	17%	0.165	C	C	.	.	S	Bend	trans	-131	169	171.5	55.8	168.3	0	0	0	110.5	C433 A463 I464 V476	C433-I469 HydrophobicContact CB-CD1 3.67Å; A463-I469 HydrophobicContact CB-CD1 3.96Å; A463-I469 HydrophobicContact CB-CG1 3.68Å; I464-I469 HydrophobicContact CG1-CD1 4.07Å; I464-I469 HydrophobicContact CG1-CG1 3.91Å; I469-V476 HydrophobicContact CD1-CG2 4.01Å; I469-V476 HydrophobicContact CG1-CG2 4.24Å; I469-V476 HydrophobicContact CG2-CG2 3.73Å
470	K	94.1	Very high	94.8	Very high	154 Å²	154	27.5 Å²	27.5	67%	0.67	17%	0.166	S	C	*	.	B	Isolated β-bridge	trans	-93	177.6	172.5	-76.2	173.4	-175.6	174.9	0	110.1	D472 G473	K470-D472 VanDerWaalsContact C-N 3.28Å; K470-D472 WeakPolarHBondContact CB-OD1 3.08Å; K470-D472 PolarHBondContact O-N 2.88Å; K470-G473 PolarHBondContact O-N 3.31Å
471	A	93.4	Very high	94.5	Very high	46 Å²	46	29.3 Å²	29.3	38%	0.38	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.3	-175.6	0	0	0	0	0	115.1	S436 K438 G473	S436-A471 PolarHBondContact N-O 3.45Å; K438-A471 HydrophobicContact CB-CB 4.24Å; K438-A471 HydrophobicContact CD-CB 4.42Å; A471-G473 VanDerWaalsContact C-N 3.32Å
472	D	93.9	Very high	94.1	Very high	107 Å²	107	33.6 Å²	33.6	57%	0.572	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.3	168.5	48.6	0.3	0	0	0	112.9	A435 K470	A435-D472 WeakPolarHBondContact CA-O 3.5Å; A435-D472 WeakPolarHBondContact CB-O 3.07Å; K470-D472 VanDerWaalsContact C-N 3.28Å; K470-D472 WeakPolarHBondContact CB-OD1 3.08Å; K470-D472 PolarHBondContact O-N 2.88Å
473	G	93.6	Very high	93.6	Very high	9 Å²	9	41.2 Å²	41.2	9%	0.093	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	101.8	-146.4	174.3	0	0	0	0	0	113.4	C433 K470 A471	C433-G473 CarbonylContact O-C 3.59Å; C433-G473 VanDerWaalsContact O-CA 3.28Å; C433-G473 WeakPolarHBondContact O-CA 3.42Å; K470-G473 PolarHBondContact O-N 3.31Å; A471-G473 VanDerWaalsContact C-N 3.32Å
474	G	94.8	Very high	93.2	Very high	30 Å²	30	46.7 Å²	46.7	31%	0.309	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.5	-169.4	176.7	0	0	0	0	0	114.7	C433	C433-G474 WeakPolarHBondContact CB-O 3.49Å; C433-G474 PolarHBondContact N-O 3.03Å; C433-G474 PolarHBondContact O-N 3.49Å
475	F	95.3	Very high	92.8	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.333	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.6	-170.7	-59.2	-87.8	0	0	0	113.6	R430 I431 I432 V513 V515	R430-F475 HydrophobicContact CG-CD1 4.1Å; I431-F475 CarbonylContact O-C 3.59Å; I431-F475 WeakPolarHBondContact O-CA 3.25Å; I432-F475 HydrophobicContact CD1-CE1 3.89Å; I432-F475 HydrophobicContact CG1-CD1 3.87Å; I432-F475 HydrophobicContact CG1-CE1 3.74Å; F475-V513 HydrophobicContact CB-CB 3.85Å; F475-V513 HydrophobicContact CB-CG1 3.99Å; F475-V513 HydrophobicContact CB-CG2 3.76Å; F475-V515 HydrophobicContact CD2-CG2 4.48Å
476	V	95.1	Very high	92.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	176.4	-178.1	0	0	0	0	109.9	I431 A463 V468 I469 V478 M510	I431-V476 HydrophobicContact CB-CB 4.39Å; I431-V476 PolarHBondContact N-O 3.22Å; I431-V476 PolarHBondContact O-N 3.2Å; A463-V476 HydrophobicContact CB-CG1 4.26Å; A463-V476 HydrophobicContact CB-CG2 3.69Å; V468-V476 HydrophobicContact CG1-CG1 4.17Å; V468-V476 HydrophobicContact CG1-CG2 4.32Å; I469-V476 HydrophobicContact CD1-CG2 4.01Å; I469-V476 HydrophobicContact CG1-CG2 4.24Å; I469-V476 HydrophobicContact CG2-CG2 3.73Å; V476-V478 HydrophobicContact CG1-CG2 4.03Å; V476-M510 HydrophobicContact CG1-CB 3.93Å; V476-M510 HydrophobicContact CG1-CG 3.91Å
477	D	93.9	Very high	92.5	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.4	166.3	-80.6	-29.6	0	0	0	109.2	L304 R325 R430 F511 V513	L304-D477 HydrophobicContact CB-CB 3.76Å; L304-D477 HydrophobicContact CD2-CB 4.06Å; R325-D477 IonicContact CZ-OD1 3.55Å; R325-D477 IonicContact NH1-OD1 3.63Å; R325-D477 PolarHBondContact NH1-OD1 3.44Å; R430-D477 IonicContact CZ-OD1 2.76Å; R430-D477 IonicContact CZ-OD2 3.22Å; R430-D477 IonicContact NE-OD1 2.83Å; R430-D477 PolarHBondContact NE-OD1 3.3Å; R430-D477 IonicContact NE-OD2 3.19Å; R430-D477 IonicContact NH2-OD1 3.48Å; R430-D477 PolarHBondContact NH2-OD1 3.13Å; R430-D477 IonicContact NH2-OD2 3.81Å; R430-D477 PolarHBondContact NH2-OD2 3.44Å; D477-F511 HydrophobicContact CB-CB 4.31Å; D477-F511 PolarHBondContact N-O 2.95Å; D477-F511 PolarHBondContact O-N 2.81Å; D477-V513 HydrophobicContact CB-CG2 4.36Å
478	V	93.4	Very high	92.4	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.2	-176.7	-178.3	0	0	0	0	110.8	V415 C428 I431 I459 V476 F508 M510	V415-V478 HydrophobicContact CG2-CG1 3.79Å; C428-V478 HydrophobicContact CB-CB 4Å; C428-V478 HydrophobicContact CB-CG1 4.4Å; I431-V478 HydrophobicContact CG1-CG2 3.83Å; I459-V478 HydrophobicContact CG2-CG2 3.91Å; V476-V478 HydrophobicContact CG1-CG2 4.03Å; V478-F508 HydrophobicContact CG1-CB 4.17Å; V478-F508 HydrophobicContact CG1-CD2 3.92Å; V478-F508 HydrophobicContact CG1-CG 4.38Å; V478-M510 HydrophobicContact CG2-CG 4.36Å
479	L	91.5	Very high	92.3	Very high	14 Å²	14	58 Å²	58	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.4	169.7	-176.7	66.9	0	0	0	109.3	L304 T322 L481 F508 R509 F511	L304-L479 HydrophobicContact CD1-CB 4.26Å; L304-L479 HydrophobicContact CD1-CD1 4.35Å; L304-L479 HydrophobicContact CD1-CD2 4.39Å; L304-L479 HydrophobicContact CD2-CB 4.39Å; T322-L479 HydrophobicContact CG2-CD2 3.77Å; L479-L481 HydrophobicContact CD2-CD2 3.99Å; L479-L481 HydrophobicContact CG-CD2 4.09Å; L479-F508 WeakPolarHBondContact O-CA 3.04Å; L479-F508 WeakPolarHBondContact O-CB 3.49Å; L479-R509 PolarHBondContact N-O 3.02Å; L479-R509 PolarHBondContact O-N 2.83Å; L479-F511 HydrophobicContact CB-CD2 4.42Å; L479-F511 HydrophobicContact CB-CE2 3.72Å; L479-F511 HydrophobicContact CD2-CE2 4.21Å; L479-F511 HydrophobicContact CD2-CZ 4.38Å
480	P	92.1	Very high	92.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.032	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.6	173.3	32.6	-31.4	0	0	0	109.5	V415 S426 C428	V415-P480 HydrophobicContact CG1-CB 4.15Å; S426-P480 WeakPolarHBondContact O-CG 3.01Å; C428-P480 VanDerWaalsContact SG-CD 3.56Å
481	L	90.6	Very high	92.4	Very high	40 Å²	40	57.7 Å²	57.7	21%	0.209	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.6	-169.9	-66.5	175	0	0	0	110.7	Y421 I452 L479 S507 R509	Y421-L481 WeakPolarHBondContact CB-O 3.32Å; Y421-L481 VanDerWaalsContact CD2-C 3.47Å; Y421-L481 VanDerWaalsContact CG-C 3.48Å; I452-L481 HydrophobicContact CD1-CD1 4.16Å; I452-L481 HydrophobicContact CG1-CD1 4.16Å; I452-L481 HydrophobicContact CG2-CD1 4.37Å; L479-L481 HydrophobicContact CD2-CD2 3.99Å; L479-L481 HydrophobicContact CG-CD2 4.09Å; L481-S507 WeakPolarHBondContact CA-O 3.5Å; L481-S507 VanDerWaalsContact CB-OG 3.3Å; L481-S507 WeakPolarHBondContact CB-OG 3.4Å; L481-S507 PolarHBondContact N-O 3.4Å; L481-S507 PolarHBondContact O-N 3.38Å; L481-S507 VanDerWaalsContact O-O 3.05Å; L481-R509 HydrophobicContact CD1-CB 3.92Å
482	E	89.2	Confident	92.5	Very high	93 Å²	93	58.7 Å²	58.7	44%	0.435	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-62.1	154.2	173.6	-166.6	151.6	-101.9	0	0	111.5	Y421 R423 S507	Y421-E482 HydrophobicContact CD1-CB 4.19Å; Y421-E482 HydrophobicContact CE1-CB 3.65Å; Y421-E482 HydrophobicContact CE1-CG 4Å; R423-E482 IonicContact CZ-OE1 3.21Å; R423-E482 VanDerWaalsContact CZ-OE1 3.26Å; R423-E482 IonicContact NE-OE1 3.51Å; R423-E482 PolarHBondContact NE-OE1 3.31Å; R423-E482 IonicContact NH2-OE1 2.98Å; R423-E482 PolarHBondContact NH2-OE1 2.93Å; R423-E482 IonicContact NH2-OE2 2.68Å; R423-E482 PolarHBondContact NH2-OE2 2.92Å; E482-S507 PolarHBondContact O-OG 2.86Å
483	R	86.8	Confident	92.5	Very high	160 Å²	160	57.5 Å²	57.5	60%	0.604	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-57.7	145.3	-176.1	72.8	-172.3	178.9	106	-4.2	113.1	G505	R483-G505 WeakPolarHBondContact CB-O 3.32Å
484	R	88.8	Confident	92.4	Very high	116 Å²	116	59.6 Å²	59.6	44%	0.438	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-98	156.8	168.1	-68.5	-169.4	151.7	-154.9	-11.8	110.9	Y487 T503	R484-Y487 HydrophobicContact CB-CD1 4.49Å; R484-Y487 HydrophobicContact CB-CE1 3.87Å; R484-Y487 HydrophobicContact CB-CE2 4.45Å; R484-Y487 HydrophobicContact CG-CE1 4.16Å; R484-T503 PolarHBondContact O-OG1 2.87Å; R484-T503 VanDerWaalsContact O-OG1 3.1Å
485	K	87.4	Confident	92.4	Very high	178 Å²	178	58.5 Å²	58.5	77%	0.774	31%	0.305	S	S	*	.	S	Bend	trans	-76.2	-26.3	172.5	-65.4	-172.1	176.8	-173.1	0	112.4	N502	K485-N502 PolarHBondContact O-N 2.97Å
486	S	91.4	Very high	92.4	Very high	69 Å²	69	60.1 Å²	60.1	48%	0.483	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.4	177.5	55.9	0	0	0	0	112.3	Q500	S486-Q500 CarbonylContact C-O 3.54Å; S486-Q500 WeakPolarHBondContact CA-O 3.19Å
487	Y	93	Very high	92.5	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.2	176	-58.7	-81	0	0	0	109.1	V448 I452 A454 R484 S499 Q500 T503 G506 S507	V448-Y487 HydrophobicContact CG1-CD2 4.03Å; V448-Y487 HydrophobicContact CG1-CG 4.16Å; I452-Y487 HydrophobicContact CG2-CE1 4.43Å; A454-Y487 HydrophobicContact CB-CD2 4.09Å; A454-Y487 HydrophobicContact CB-CE1 4.34Å; A454-Y487 HydrophobicContact CB-CE2 3.6Å; R484-Y487 HydrophobicContact CB-CD1 4.49Å; R484-Y487 HydrophobicContact CB-CE1 3.87Å; R484-Y487 HydrophobicContact CB-CE2 4.45Å; R484-Y487 HydrophobicContact CG-CE1 4.16Å; Y487-S499 WeakPolarHBondContact O-CA 3.41Å; Y487-Q500 PolarHBondContact N-O 2.96Å; Y487-Q500 PolarHBondContact O-N 2.7Å; Y487-Q500 VanDerWaalsContact O-N 3.1Å; Y487-T503 HydrophobicContact CD2-CG2 3.9Å; Y487-T503 HydrophobicContact CE2-CG2 3.79Å; Y487-T503 WeakPolarHBondContact CE2-OG1 3.41Å; Y487-G506 PolarHBondContact OH-O 3.24Å; Y487-G506 VanDerWaalsContact OH-O 3.08Å; Y487-S507 WeakPolarHBondContact OH-CB 3.21Å
488	A	92.4	Very high	92.5	Very high	65 Å²	65	64.6 Å²	64.6	54%	0.537	34%	0.335	S	S	.	.			trans	-106.1	118.5	176	0	0	0	0	0	109.9	G449 N450	G449-A488 CarbonylContact C-O 3.4Å; G449-A488 VanDerWaalsContact C-O 3.32Å; G449-A488 WeakPolarHBondContact CA-O 3.16Å; N450-A488 VanDerWaalsContact CB-O 3.27Å; N450-A488 WeakPolarHBondContact CB-O 3.45Å
489	G	92.7	Very high	92.5	Very high	18 Å²	18	68.7 Å²	68.7	19%	0.186	36%	0.364	C	S	.	.			trans	-77.6	147	174.6	0	0	0	0	0	112.4	S497 E498 S499	G489-S497 CarbonylContact C-O 3.54Å; G489-S497 WeakPolarHBondContact CA-O 3.3Å; G489-S497 WeakPolarHBondContact CA-OG 3.31Å; G489-E498 VanDerWaalsContact CA-C 3.49Å; G489-E498 WeakPolarHBondContact CA-O 3.46Å; G489-E498 PolarHBondContact N-O 2.86Å; G489-S499 PolarHBondContact N-OG 2.82Å
490	V	96.5	Very high	92.5	Very high	46 Å²	46	72.3 Å²	72.3	28%	0.279	38%	0.38	S	S	.	.			trans	-147.2	155	178.5	-60.1	0	0	0	0	111.1	N450 H465 K492 S497	N450-V490 HydrophobicContact CB-CG1 4.48Å; N450-V490 HydrophobicContact CB-CG2 3.96Å; N450-V490 WeakPolarHBondContact ND2-CG2 3.49Å; H465-V490 WeakPolarHBondContact CE1-CG2 3.27Å; H465-V490 WeakPolarHBondContact NE2-CG2 3.49Å; H465-V490 PolarHBondContact NE2-O 3.06Å; V490-K492 HydrophobicContact CG2-CB 4.19Å; V490-K492 PolarHBondContact O-N 2.67Å; V490-S497 PolarHBondContact N-O 3.03Å; V490-S497 PolarHBondContact N-OG 3.22Å; V490-S497 PolarHBondContact O-N 2.99Å; V490-S497 PolarHBondContact O-OG 3.26Å
491	L	95.2	Very high	92.2	Very high	125 Å²	125	75.8 Å²	75.8	65%	0.654	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.7	163.8	-174	61.4	0	0	0	109.4	Q496	L491-Q496 HydrophobicContact CD1-CB 4.27Å
492	K	94.8	Very high	91.5	Very high	67 Å²	67	81 Å²	81	29%	0.291	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	137.8	175.9	-164.2	178.6	176.7	-164	0	110.8	H465 A466 V490 G494 I495	H465-K492 VanDerWaalsContact O-CD 3.26Å; H465-K492 WeakPolarHBondContact O-CD 3.41Å; H465-K492 VanDerWaalsContact O-CG 3.29Å; H465-K492 WeakPolarHBondContact O-CG 2.95Å; A466-K492 WeakPolarHBondContact O-CE 3.45Å; A466-K492 PolarHBondContact O-NZ 2.98Å; V490-K492 HydrophobicContact CG2-CB 4.19Å; V490-K492 PolarHBondContact O-N 2.67Å; K492-G494 PolarHBondContact O-N 3.45Å; K492-I495 PolarHBondContact N-O 3.13Å; K492-I495 PolarHBondContact O-N 3.17Å; K492-I495 VanDerWaalsContact O-O 3.06Å
493	N	94	Very high	90.5	Very high	82 Å²	82	76.9 Å²	76.9	44%	0.439	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	23.8	-178.8	-57.9	-14.7	0	0	0	115	K438 I464 H465 G467	K438-N493 PolarHBondContact NZ-O 3.34Å; I464-N493 WeakPolarHBondContact O-CB 3.4Å; I464-N493 PolarHBondContact O-ND2 3.41Å; H465-N493 PolarHBondContact O-ND2 3.15Å; G467-N493 WeakPolarHBondContact CA-ND2 3.5Å; G467-N493 PolarHBondContact N-ND2 2.98Å; G467-N493 VanDerWaalsContact N-ND2 3.15Å
494	G	91.9	Very high	89.7	Confident	53 Å²	53	75.6 Å²	75.6	55%	0.546	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	29.2	-174.9	0	0	0	0	0	114.1	K438 K492	K438-G494 VanDerWaalsContact CE-O 3.26Å; K438-G494 WeakPolarHBondContact CE-O 3.26Å; K492-G494 PolarHBondContact O-N 3.45Å
495	I	95.2	Very high	89.3	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.036	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132	164	-65.8	167	0	0	0	106.7	K438 V447 K461 I464 H465 K492	K438-I495 HydrophobicContact CB-CD1 4.44Å; K438-I495 HydrophobicContact CD-CG1 4.46Å; K438-I495 HydrophobicContact CG-CD1 4.14Å; K438-I495 HydrophobicContact CG-CG1 4.03Å; V447-I495 HydrophobicContact CG2-CG2 4.4Å; K461-I495 HydrophobicContact CG-CD1 3.89Å; K461-I495 WeakPolarHBondContact O-CD1 3.48Å; I464-I495 HydrophobicContact CB-CD1 3.86Å; I464-I495 HydrophobicContact CG2-CD1 3.69Å; H465-I495 HydrophobicContact CB-CB 4.09Å; H465-I495 HydrophobicContact CB-CD1 4.17Å; H465-I495 HydrophobicContact CB-CG2 4.07Å; H465-I495 PolarHBondContact CD2-O 2.9Å; H465-I495 VanDerWaalsContact CD2-O 3.29Å; K492-I495 PolarHBondContact N-O 3.13Å; K492-I495 PolarHBondContact O-N 3.17Å; K492-I495 VanDerWaalsContact O-O 3.06Å
496	Q	95.4	Very high	89.5	Confident	109 Å²	109	63.8 Å²	63.8	51%	0.509	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.1	168.4	178.9	62.8	51.9	0	0	108	L491	L491-Q496 HydrophobicContact CD1-CB 4.27Å
497	S	96.2	Very high	89.6	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.007	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-98.3	156.3	168.2	66.8	0	0	0	0	111.8	V447 G449 H465 G489 V490	V447-S497 CarbonylContact O-C 3.5Å; V447-S497 WeakPolarHBondContact O-CA 3.11Å; V447-S497 WeakPolarHBondContact O-CB 3.47Å; G449-S497 WeakPolarHBondContact O-CB 3.34Å; G449-S497 PolarHBondContact O-OG 3.46Å; H465-S497 PolarHBondContact CE1-OG 2.84Å; H465-S497 VanDerWaalsContact NE2-CB 3.32Å; H465-S497 WeakPolarHBondContact NE2-CB 3.19Å; H465-S497 PolarHBondContact NE2-N 3.46Å; H465-S497 PolarHBondContact NE2-OG 2.79Å; G489-S497 CarbonylContact C-O 3.54Å; G489-S497 WeakPolarHBondContact CA-O 3.3Å; G489-S497 WeakPolarHBondContact CA-OG 3.31Å; V490-S497 PolarHBondContact N-O 3.03Å; V490-S497 PolarHBondContact N-OG 3.22Å; V490-S497 PolarHBondContact O-N 2.99Å; V490-S497 PolarHBondContact O-OG 3.26Å
498	E	94.4	Very high	89.7	Confident	94 Å²	94	60 Å²	60	44%	0.439	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-94.7	149.8	-173.9	-70.4	165.7	-142.6	0	0	112	V447 V448 G449 G489	V447-E498 PolarHBondContact O-N 2.67Å; V448-E498 HydrophobicContact CG2-CB 4.39Å; G449-E498 PolarHBondContact N-O 3.18Å; G489-E498 VanDerWaalsContact CA-C 3.49Å; G489-E498 WeakPolarHBondContact CA-O 3.46Å; G489-E498 PolarHBondContact N-O 2.86Å
499	S	93.8	Very high	89.7	Confident	89 Å²	89	60 Å²	60	62%	0.622	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-94.9	135.3	170.5	-66.6	0	0	0	0	109.4	Y487 G489	Y487-S499 WeakPolarHBondContact O-CA 3.41Å; G489-S499 PolarHBondContact N-OG 2.82Å
500	Q	90.6	Very high	89.7	Confident	90 Å²	90	59.8 Å²	59.8	42%	0.421	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.8	178.4	-155.8	-178.1	14.8	0	0	110.5	V448 S486 Y487 T503	V448-Q500 HydrophobicContact CG1-CB 3.63Å; S486-Q500 CarbonylContact C-O 3.54Å; S486-Q500 WeakPolarHBondContact CA-O 3.19Å; Y487-Q500 PolarHBondContact N-O 2.96Å; Y487-Q500 PolarHBondContact O-N 2.7Å; Y487-Q500 VanDerWaalsContact O-N 3.1Å; Q500-T503 HydrophobicContact CB-CG2 3.85Å; Q500-T503 VanDerWaalsContact CD-CG2 3.43Å; Q500-T503 HydrophobicContact CG-CG2 3.56Å
501	S	87	Confident	89.5	Confident	77 Å²	77	57.8 Å²	57.8	54%	0.538	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	161.4	176.7	53.9	0	0	0	0	110.3	T503	S501-T503 VanDerWaalsContact C-N 3.29Å; S501-T503 PolarHBondContact O-N 2.93Å
502	N	74.1	Confident	89.3	Confident	149 Å²	149	53 Å²	53	80%	0.797	31%	0.305	S	S	*	.	S	Bend	trans	55.2	42.1	-179.4	-58.7	-19.4	0	0	0	113.1	K485	K485-N502 PolarHBondContact O-N 2.97Å
503	T	68.9	Low	89.1	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.043	30%	0.298	C	S	.	.			trans	-82.3	131.9	-175.2	52.7	0	0	0	0	113.4	R484 Y487 Q500 S501	R484-T503 PolarHBondContact O-OG1 2.87Å; R484-T503 VanDerWaalsContact O-OG1 3.1Å; Y487-T503 HydrophobicContact CD2-CG2 3.9Å; Y487-T503 HydrophobicContact CE2-CG2 3.79Å; Y487-T503 WeakPolarHBondContact CE2-OG1 3.41Å; Q500-T503 HydrophobicContact CB-CG2 3.85Å; Q500-T503 VanDerWaalsContact CD-CG2 3.43Å; Q500-T503 HydrophobicContact CG-CG2 3.56Å; S501-T503 VanDerWaalsContact C-N 3.29Å; S501-T503 PolarHBondContact O-N 2.93Å
504	D	70.1	Confident	88.5	Confident	134 Å²	134	53.2 Å²	53.2	72%	0.717	30%	0.304	S	S	*	.			trans	-88.8	153.3	163.1	-65.4	-48.2	0	0	0	111.8	R416	R416-D504 PolarHBondContact NH2-O 3.29Å
505	G	81.3	Confident	86.9	Confident	34 Å²	34	59.6 Å²	59.6	35%	0.351	33%	0.332	S	S	.	.	S	Bend	trans	95.8	175	-168	0	0	0	0	0	113.2	R483	R483-G505 WeakPolarHBondContact CB-O 3.32Å
506	G	90.8	Very high	86.5	Confident	11 Å²	11	62.2 Å²	62.2	11%	0.113	35%	0.347	C	S	.	.			trans	-80.4	-164.8	-179.9	0	0	0	0	0	114.5	D455 Y487	D455-G506 PolarHBondContact N-O 3.37Å; D455-G506 PolarHBondContact OD1-N 3.12Å; D455-G506 PolarHBondContact OD2-N 2.71Å; Y487-G506 PolarHBondContact OH-O 3.24Å; Y487-G506 VanDerWaalsContact OH-O 3.08Å
507	S	93.9	Very high	86.1	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	171.5	167.1	75.4	0	0	0	0	110.9	Y453 L481 E482 Y487	Y453-S507 CarbonylContact O-C 3.32Å; Y453-S507 WeakPolarHBondContact O-CA 3.23Å; Y453-S507 VanDerWaalsContact O-CB 3.32Å; Y453-S507 WeakPolarHBondContact O-CB 3.25Å; L481-S507 WeakPolarHBondContact CA-O 3.5Å; L481-S507 VanDerWaalsContact CB-OG 3.3Å; L481-S507 WeakPolarHBondContact CB-OG 3.4Å; L481-S507 PolarHBondContact N-O 3.4Å; L481-S507 PolarHBondContact O-N 3.38Å; L481-S507 VanDerWaalsContact O-O 3.05Å; E482-S507 PolarHBondContact O-OG 2.86Å; Y487-S507 WeakPolarHBondContact OH-CB 3.21Å
508	F	94.4	Very high	85.5	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.7	172.4	70	-85.1	0	0	0	113.9	V415 I452 Y453 A454 I459 V478 L479 M510	V415-F508 HydrophobicContact CB-CB 4.41Å; V415-F508 HydrophobicContact CB-CD1 3.9Å; V415-F508 HydrophobicContact CB-CE1 4.25Å; V415-F508 HydrophobicContact CB-CG 4.22Å; V415-F508 HydrophobicContact CG1-CB 4.22Å; V415-F508 HydrophobicContact CG2-CB 3.91Å; V415-F508 HydrophobicContact CG2-CD1 3.5Å; V415-F508 HydrophobicContact CG2-CD2 3.76Å; V415-F508 HydrophobicContact CG2-CE1 3.73Å; V415-F508 HydrophobicContact CG2-CE2 4Å; V415-F508 HydrophobicContact CG2-CG 3.49Å; V415-F508 VanDerWaalsContact CG2-CG 3.49Å; V415-F508 HydrophobicContact CG2-CZ 3.98Å; I452-F508 VanDerWaalsContact CA-O 3.29Å; I452-F508 WeakPolarHBondContact CA-O 3.49Å; Y453-F508 PolarHBondContact N-O 2.78Å; Y453-F508 PolarHBondContact O-N 2.9Å; A454-F508 WeakPolarHBondContact O-CE1 3.46Å; I459-F508 HydrophobicContact CG1-CE2 4.48Å; I459-F508 HydrophobicContact CG1-CZ 4.33Å; V478-F508 HydrophobicContact CG1-CB 4.17Å; V478-F508 HydrophobicContact CG1-CD2 3.92Å; V478-F508 HydrophobicContact CG1-CG 4.38Å; L479-F508 WeakPolarHBondContact O-CA 3.04Å; L479-F508 WeakPolarHBondContact O-CB 3.49Å; F508-M510 HydrophobicContact CD2-CE 4.49Å; F508-M510 HydrophobicContact CD2-CG 3.9Å; F508-M510 HydrophobicContact CD2-SD 4.5Å; F508-M510 HydrophobicContact CE2-CE 3.87Å; F508-M510 HydrophobicContact CE2-CG 3.7Å; F508-M510 HydrophobicContact CE2-SD 3.74Å
509	R	92.9	Very high	85	Confident	66 Å²	66	61.2 Å²	61.2	25%	0.249	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.9	169.1	-179	170.8	170.8	166.1	0.8	109.5	D300 I452 L479 L481 F511	D300-R509 IonicContact OD1-CZ 2.77Å; D300-R509 VanDerWaalsContact OD1-CZ 3.22Å; D300-R509 IonicContact OD1-NH1 3.62Å; D300-R509 PolarHBondContact OD1-NH1 3.36Å; D300-R509 IonicContact OD1-NH2 2.74Å; D300-R509 PolarHBondContact OD1-NH2 2.96Å; I452-R509 HydrophobicContact CG1-CB 4.17Å; L479-R509 PolarHBondContact N-O 3.02Å; L479-R509 PolarHBondContact O-N 2.83Å; L481-R509 HydrophobicContact CD1-CB 3.92Å; R509-F511 HydrophobicContact CB-CE2 4.03Å; R509-F511 HydrophobicContact CB-CZ 4.42Å; R509-F511 HydrophobicContact CG-CD2 4.4Å; R509-F511 HydrophobicContact CG-CE2 3.69Å; R509-F511 HydrophobicContact CG-CZ 3.78Å
510	M	92.7	Very high	84.4	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.059	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	155.4	174.2	-64.4	158.3	-75.3	0	0	111.2	Y453 A463 A466 V468 V476 V478 F508	Y453-M510 HydrophobicContact CD2-CE 3.31Å; Y453-M510 HydrophobicContact CE2-CE 3.26Å; Y453-M510 HydrophobicContact CG-CE 4.13Å; A463-M510 WeakPolarHBondContact CA-SD 3.34Å; A463-M510 HydrophobicContact CB-SD 3.58Å; A463-M510 VanDerWaalsContact CB-SD 3.58Å; A463-M510 PolarHBondContact N-SD 2.57Å; A466-M510 HydrophobicContact CB-CE 4.09Å; V468-M510 HydrophobicContact CG2-CB 4.11Å; V476-M510 HydrophobicContact CG1-CB 3.93Å; V476-M510 HydrophobicContact CG1-CG 3.91Å; V478-M510 HydrophobicContact CG2-CG 4.36Å; F508-M510 HydrophobicContact CD2-CE 4.49Å; F508-M510 HydrophobicContact CD2-CG 3.9Å; F508-M510 HydrophobicContact CD2-SD 4.5Å; F508-M510 HydrophobicContact CE2-CE 3.87Å; F508-M510 HydrophobicContact CE2-CG 3.7Å; F508-M510 HydrophobicContact CE2-SD 3.74Å
511	F	92.6	Very high	84	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.022	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.6	179.5	-62.6	-96.4	0	0	0	109.7	P302 L304 T322 V468 D477 L479 R509	P302-F511 WeakPolarHBondContact O-CA 2.99Å; P302-F511 WeakPolarHBondContact O-CB 3.45Å; L304-F511 HydrophobicContact CB-CB 3.81Å; L304-F511 HydrophobicContact CB-CD1 4.36Å; L304-F511 HydrophobicContact CB-CD2 3.82Å; L304-F511 HydrophobicContact CB-CG 3.74Å; L304-F511 HydrophobicContact CD1-CD2 4.16Å; L304-F511 HydrophobicContact CD1-CE2 4.02Å; L304-F511 HydrophobicContact CD1-CZ 4.38Å; L304-F511 HydrophobicContact CD2-CD2 4.48Å; L304-F511 HydrophobicContact CG-CD2 4.37Å; T322-F511 HydrophobicContact CG2-CZ 3.97Å; V468-F511 VanDerWaalsContact CG1-C 3.49Å; V468-F511 VanDerWaalsContact CG1-O 3.32Å; V468-F511 WeakPolarHBondContact CG1-O 3.22Å; D477-F511 HydrophobicContact CB-CB 4.31Å; D477-F511 PolarHBondContact N-O 2.95Å; D477-F511 PolarHBondContact O-N 2.81Å; L479-F511 HydrophobicContact CB-CD2 4.42Å; L479-F511 HydrophobicContact CB-CE2 3.72Å; L479-F511 HydrophobicContact CD2-CE2 4.21Å; L479-F511 HydrophobicContact CD2-CZ 4.38Å; R509-F511 HydrophobicContact CB-CE2 4.03Å; R509-F511 HydrophobicContact CB-CZ 4.42Å; R509-F511 HydrophobicContact CG-CD2 4.4Å; R509-F511 HydrophobicContact CG-CE2 3.69Å; R509-F511 HydrophobicContact CG-CZ 3.78Å
512	A	91.4	Very high	83.8	Confident	24 Å²	24	56 Å²	56	20%	0.198	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	152	173.9	0	0	0	0	0	110.2	P302 Y303 V468	P302-A512 PolarHBondContact O-N 3.15Å; Y303-A512 HydrophobicContact CD1-CB 4.15Å; Y303-A512 VanDerWaalsContact CD1-O 3.27Å; Y303-A512 WeakPolarHBondContact CD1-O 3.25Å; Y303-A512 HydrophobicContact CE1-CB 3.92Å; V468-A512 HydrophobicContact CG1-CB 4.43Å
513	V	90.3	Very high	84.6	Confident	22 Å²	22	48.8 Å²	48.8	13%	0.133	28%	0.277	C	S	.	.			trans	-98	140.7	167.4	172.9	0	0	0	0	108.4	F475 D477	F475-V513 HydrophobicContact CB-CB 3.85Å; F475-V513 HydrophobicContact CB-CG1 3.99Å; F475-V513 HydrophobicContact CB-CG2 3.76Å; D477-V513 HydrophobicContact CB-CG2 4.36Å
514	K	79.9	Confident	85.9	Confident	131 Å²	131	52.3 Å²	52.3	57%	0.57	30%	0.297	S	S	*	.			trans	-84.6	111.8	162.7	-66.9	-166.7	178.1	-174	0	107.9	Y303	Y303-K514 HydrophobicContact CD1-CD 4.45Å; Y303-K514 HydrophobicContact CD1-CG 3.64Å; Y303-K514 HydrophobicContact CE1-CD 4.17Å; Y303-K514 HydrophobicContact CE1-CG 3.33Å; Y303-K514 HydrophobicContact CE2-CD 4.47Å; Y303-K514 HydrophobicContact CE2-CG 4.46Å; Y303-K514 HydrophobicContact CG-CG 4.36Å
515	V	60.1	Low	87.3	Confident	187 Å²	187	44.9 Å²	44.9	100%	1.133	26%	0.258	S	S	*	.			trans	-81.8	0	160.8	-168	0	0	0	0	107.6	F475	F475-V515 HydrophobicContact CD2-CG2 4.48Å

Retrieved 515 of 515 residues in 2894.9 ms (Link to these results)

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