A0A087XT89_POEFO Loading...

Myogenesis-regulating glycosidase

Putative glycosidase. Promotes myogenesis by activating AKT signaling through the maturation and secretion of IGF2.

AlphaFold DB , UniProt , Accession A0A087XT89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 684 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	34.1	Very low	232 Å²	232	128.3 Å²	128.3	100%	1.143	84%	0.842	S	S	*	*				0	124	0	-165.8	174.6	-92.2	0	0	106.4
2	Y	32.1	Very low	34	Very low	201 Å²	201	128.8 Å²	128.8	79%	0.788	84%	0.841	S	S	*	*			trans	-6.9	145.7	171	-55.9	-91.7	0	0	0	118.3
3	Q	33.5	Very low	34	Very low	169 Å²	169	130.3 Å²	130.3	79%	0.79	84%	0.835	S	S	*	*			cis	-169.3	167.4	11.2	-118.9	161.5	-33.4	0	0	107.7
4	V	34.7	Very low	33.9	Very low	124 Å²	124	128.9 Å²	128.9	75%	0.752	82%	0.824	S	S	*	*			cis	-155.1	-172.7	-6.6	79.4	0	0	0	0	109
5	V	38.2	Very low	34	Very low	134 Å²	134	130 Å²	130	81%	0.812	82%	0.82	S	S	*	*			trans	-140.6	128	-177	176.6	0	0	0	0	109.3
6	P	47.1	Very low	34	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	82%	0.82	S	S	*	*				-145.5	-166.4	87.8	42.8	-24.2	0	0	0	112.7
7	G	31.1	Very low	34.6	Very low	73 Å²	73	132 Å²	132	75%	0.753	82%	0.82	S	S	*	*			cis	-179.1	164.4	3.8	0	0	0	0	0	112.6
8	G	29.5	Very low	35	Very low	81 Å²	81	130.8 Å²	130.8	84%	0.835	81%	0.814	S	S	*	*			trans	-70.1	-166	-179.4	0	0	0	0	0	116.5
9	A	31.2	Very low	34.9	Very low	106 Å²	106	134.1 Å²	134.1	88%	0.876	82%	0.815	S	S	*	*			cis	-162.1	169.8	11.2	0	0	0	0	0	112.2
10	G	30.9	Very low	35.1	Very low	81 Å²	81	138 Å²	138	84%	0.835	82%	0.821	S	S	*	*			trans	93.4	138.3	144.9	0	0	0	0	0	120.2
11	G	30.9	Very low	35.1	Very low	83 Å²	83	140.7 Å²	140.7	86%	0.856	82%	0.822	S	S	*	*			trans	100.2	92.3	138.1	0	0	0	0	0	119.7
12	T	33.3	Very low	35.5	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	81%	0.81	S	S	*	*			trans	-82.6	163.6	141.7	56.4	0	0	0	0	108.8
13	I	33.9	Very low	35.9	Very low	148 Å²	148	135 Å²	135	76%	0.759	81%	0.808	S	S	*	*			cis	-145.7	154.3	16.2	-25.1	161.7	0	0	0	106.4
14	T	32.7	Very low	36.5	Very low	111 Å²	111	136.7 Å²	136.7	68%	0.681	81%	0.813	S	S	*	*				173.1	150.4	92.9	38.6	0	0	0	0	112
15	D	34.8	Very low	37.3	Very low	145 Å²	145	138.4 Å²	138.4	78%	0.775	82%	0.818	S	S	*	*			trans	49.4	127.4	147	-56.6	-23.4	0	0	0	122.7
16	V	33.6	Very low	37.9	Very low	135 Å²	135	136.1 Å²	136.1	82%	0.818	81%	0.808	S	S	*	*				178.2	140.9	100.4	154.9	0	0	0	0	110.4
17	I	44.5	Very low	38.3	Very low	159 Å²	159	141.3 Å²	141.3	82%	0.815	81%	0.811	S	S	*	*			trans	-71.1	141.7	179.4	-61.6	161.6	0	0	0	111.9
18	P	41.6	Very low	39.3	Very low	110 Å²	110	142.1 Å²	142.1	71%	0.714	80%	0.803	S	S	*	*			trans	-136.1	122.3	141.9	28.9	-11.3	0	0	0	116
19	K	34	Very low	40.3	Very low	193 Å²	193	145.4 Å²	145.4	84%	0.839	80%	0.801	S	S	*	*			trans	54.9	106.2	138.2	-64.2	177.8	178	174.7	0	119.3	K21	K19-K21 PolarHBondContact O-N 2.68Å
20	K	38.6	Very low	41.5	Very low	212 Å²	212	145.5 Å²	145.5	92%	0.922	79%	0.79	S	S	*	*			trans	-48.8	128.3	152.6	-77.8	-179.9	173.4	178.1	0	110.7
21	K	35.5	Very low	42.7	Very low	195 Å²	195	143.7 Å²	143.7	85%	0.848	77%	0.771	S	S	*	*			trans	-110.6	117.5	164.8	-150.6	176.1	-171.8	-179.6	0	107.5	K19 T23	K19-K21 PolarHBondContact O-N 2.68Å; K21-T23 PolarHBondContact O-N 3.28Å
22	H	44.8	Very low	44.1	Very low	190 Å²	190	142.8 Å²	142.8	88%	0.88	76%	0.756	S	S	*	*			trans	-70.8	117	174.1	-102.8	-74.8	0	0	0	109.6
23	T	40	Very low	45.7	Very low	124 Å²	124	138.5 Å²	138.5	76%	0.761	74%	0.739	S	S	*	*			trans	-118.1	132.2	161.5	35.6	0	0	0	0	108.7	K21 D25	K21-T23 PolarHBondContact O-N 3.28Å; T23-D25 PolarHBondContact O-N 2.9Å
24	K	44.8	Very low	47.6	Very low	204 Å²	204	135 Å²	135	89%	0.887	72%	0.724	S	S	*	*			trans	-63.3	114.7	-176.6	-81.4	174.2	167.9	175.1	0	111.3	S26	K24-S26 PolarHBondContact O-N 3.38Å
25	D	51.3	Low	49.8	Very low	160 Å²	160	134.9 Å²	134.9	86%	0.856	72%	0.718	S	S	*	*			trans	-75.4	98.9	159.7	-117.1	-31.8	0	0	0	109.3	T23	T23-D25 PolarHBondContact O-N 2.9Å
26	S	52.2	Low	51.9	Low	87 Å²	87	129.5 Å²	129.5	61%	0.608	70%	0.697	S	S	*	*			trans	178.1	85.3	160.3	54.4	0	0	0	0	110.9	K24	K24-S26 PolarHBondContact O-N 3.38Å
27	R	54.4	Low	54.2	Low	236 Å²	236	128.1 Å²	128.1	89%	0.891	69%	0.685	S	S	*	*	S	Bend	trans	163.3	64.2	151.3	-89.8	164.2	-177.4	-158.7	1.1	113.8
28	P	51.8	Low	56.2	Low	89 Å²	89	127.7 Å²	127.7	58%	0.578	68%	0.677	S	S	*	*	S	Bend	trans	-113	-30.5	147.8	33.2	-29.7	0	0	0	112.9	V30 G31 A32	P28-V30 PolarHBondContact O-N 3.46Å; P28-G31 PolarHBondContact O-N 3.34Å; P28-A32 PolarHBondContact O-N 2.93Å; P28-A32 VanDerWaalsContact O-N 3.11Å
29	L	52	Low	58.4	Low	151 Å²	151	127.9 Å²	127.9	79%	0.791	67%	0.671	S	S	*	*	H	α-helix	trans	-63.8	-40	-172.3	-118.7	79.1	0	0	0	114.4	G33	L29-G33 PolarHBondContact O-N 3.37Å
30	V	56.1	Low	60.9	Low	107 Å²	107	123 Å²	123	65%	0.648	66%	0.657	S	S	*	*	H	α-helix	trans	-70.3	-38.8	-177.7	-175.1	0	0	0	0	111.3	P28 G33 V34	P28-V30 PolarHBondContact O-N 3.46Å; V30-G33 PolarHBondContact O-N 3.49Å; V30-V34 WeakPolarHBondContact O-CB 3.3Å; V30-V34 VanDerWaalsContact O-CG2 3.3Å; V30-V34 WeakPolarHBondContact O-CG2 3.33Å; V30-V34 PolarHBondContact O-N 3.47Å
31	G	56.4	Low	63.2	Low	43 Å²	43	117.1 Å²	117.1	44%	0.443	64%	0.635	S	S	.	*	H	α-helix	trans	-65.6	-46.3	175.4	0	0	0	0	0	111.9	P28 G33 V34 I35	P28-G31 PolarHBondContact O-N 3.34Å; G31-G33 PolarHBondContact O-N 2.91Å; G31-V34 PolarHBondContact O-N 3.4Å; G31-I35 WeakPolarHBondContact O-CB 3.45Å; G31-I35 VanDerWaalsContact O-CG1 3.27Å; G31-I35 WeakPolarHBondContact O-CG1 3.29Å; G31-I35 PolarHBondContact O-N 3.23Å
32	A	59.5	Low	65.7	Low	65 Å²	65	110.2 Å²	110.2	54%	0.537	62%	0.615	S	S	.	*	H	α-helix	trans	-61.9	-41.1	175.9	0	0	0	0	0	112.6	P28 I35 G36	P28-A32 PolarHBondContact O-N 2.93Å; P28-A32 VanDerWaalsContact O-N 3.11Å; A32-I35 PolarHBondContact O-N 3.01Å; A32-G36 PolarHBondContact O-N 3.48Å
33	G	67.1	Low	67.6	Low	45 Å²	45	104.1 Å²	104.1	46%	0.464	60%	0.597	S	S	.	*	H	α-helix	trans	-64.9	-41.8	176.3	0	0	0	0	0	113.4	L29 V30 G31 G36 L37	L29-G33 PolarHBondContact O-N 3.37Å; V30-G33 PolarHBondContact O-N 3.49Å; G31-G33 PolarHBondContact O-N 2.91Å; G33-G36 PolarHBondContact O-N 2.89Å; G33-L37 WeakPolarHBondContact O-CB 3.49Å; G33-L37 PolarHBondContact O-N 3.22Å
34	V	73.3	Confident	69.8	Low	75 Å²	75	102 Å²	102	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-67.7	-42.1	176.3	170.8	0	0	0	0	111.4	V30 G31 L37 F38	V30-V34 WeakPolarHBondContact O-CB 3.3Å; V30-V34 VanDerWaalsContact O-CG2 3.3Å; V30-V34 WeakPolarHBondContact O-CG2 3.33Å; V30-V34 PolarHBondContact O-N 3.47Å; G31-V34 PolarHBondContact O-N 3.4Å; V34-L37 PolarHBondContact O-N 3.49Å; V34-F38 HydrophobicContact CG1-CD2 3.98Å; V34-F38 HydrophobicContact CG1-CE2 4.2Å; V34-F38 WeakPolarHBondContact O-CD2 3.3Å; V34-F38 PolarHBondContact O-N 3.25Å
35	I	78.6	Confident	71.6	Confident	107 Å²	107	96.4 Å²	96.4	55%	0.549	57%	0.567	S	S	.	*	H	α-helix	trans	-64	-43.4	175.4	-68	165.6	0	0	0	110.7	G31 A32 L37 F38 L39	G31-I35 WeakPolarHBondContact O-CB 3.45Å; G31-I35 VanDerWaalsContact O-CG1 3.27Å; G31-I35 WeakPolarHBondContact O-CG1 3.29Å; G31-I35 PolarHBondContact O-N 3.23Å; A32-I35 PolarHBondContact O-N 3.01Å; I35-L37 PolarHBondContact O-N 3.48Å; I35-F38 PolarHBondContact O-N 3.22Å; I35-L39 HydrophobicContact CG2-CD1 4.01Å; I35-L39 HydrophobicContact CG2-CG 4.44Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.15Å
36	G	80.3	Confident	73.1	Confident	32 Å²	32	91.7 Å²	91.7	33%	0.33	55%	0.55	S	S	.	.	H	α-helix	trans	-59.1	-43.8	174.5	0	0	0	0	0	112.6	A32 G33 L39 V40	A32-G36 PolarHBondContact O-N 3.48Å; G33-G36 PolarHBondContact O-N 2.89Å; G36-L39 PolarHBondContact O-N 3.44Å; G36-V40 WeakPolarHBondContact O-CG2 3.4Å; G36-V40 PolarHBondContact O-N 3.02Å
37	L	82.3	Confident	74.4	Confident	107 Å²	107	95.3 Å²	95.3	56%	0.56	55%	0.55	S	S	*	*	H	α-helix	trans	-63.4	-42.4	175.5	-173.9	65.5	0	0	0	112	G33 V34 I35 V40 I41	G33-L37 WeakPolarHBondContact O-CB 3.49Å; G33-L37 PolarHBondContact O-N 3.22Å; V34-L37 PolarHBondContact O-N 3.49Å; I35-L37 PolarHBondContact O-N 3.48Å; L37-V40 PolarHBondContact O-N 3.35Å; L37-I41 HydrophobicContact CD1-CD1 4.37Å; L37-I41 HydrophobicContact CG-CD1 4.01Å; L37-I41 WeakPolarHBondContact O-CB 3.41Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 2.97Å
38	F	86.6	Confident	75.6	Confident	149 Å²	149	87.7 Å²	87.7	65%	0.654	53%	0.532	S	S	*	.	H	α-helix	trans	-61.8	-42.3	174.5	-100	-79.7	0	0	0	112.5	V34 I35 I41 A42	V34-F38 HydrophobicContact CG1-CD2 3.98Å; V34-F38 HydrophobicContact CG1-CE2 4.2Å; V34-F38 WeakPolarHBondContact O-CD2 3.3Å; V34-F38 PolarHBondContact O-N 3.25Å; I35-F38 PolarHBondContact O-N 3.22Å; F38-I41 PolarHBondContact O-N 2.91Å; F38-A42 VanDerWaalsContact O-CB 3.3Å; F38-A42 WeakPolarHBondContact O-CB 3.29Å; F38-A42 PolarHBondContact O-N 3.14Å
39	L	86.1	Confident	76.8	Confident	115 Å²	115	91.4 Å²	91.4	60%	0.602	54%	0.536	S	S	*	.	H	α-helix	trans	-66.6	-39.2	177	-71.5	171.1	0	0	0	112	I35 G36 A42 A43	I35-L39 HydrophobicContact CG2-CD1 4.01Å; I35-L39 HydrophobicContact CG2-CG 4.44Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.15Å; G36-L39 PolarHBondContact O-N 3.44Å; L39-A42 PolarHBondContact O-N 3.32Å; L39-A43 VanDerWaalsContact O-CB 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.37Å; L39-A43 PolarHBondContact O-N 2.91Å
40	V	87.2	Confident	77.9	Confident	89 Å²	89	90.5 Å²	90.5	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-44.2	174	170.3	0	0	0	0	111	G36 L37 A42 A43 V44	G36-V40 WeakPolarHBondContact O-CG2 3.4Å; G36-V40 PolarHBondContact O-N 3.02Å; L37-V40 PolarHBondContact O-N 3.35Å; V40-A42 PolarHBondContact O-N 2.9Å; V40-A43 PolarHBondContact O-N 2.9Å; V40-V44 HydrophobicContact CG1-CG2 4.42Å; V40-V44 WeakPolarHBondContact O-CB 3.46Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.46Å; V40-V44 PolarHBondContact O-N 3.06Å
41	I	87.7	Confident	78.7	Confident	90 Å²	90	88.5 Å²	88.5	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-61.7	-45	175.7	-69.6	166.1	0	0	0	110.4	L37 F38 A43 V44 T45	L37-I41 HydrophobicContact CD1-CD1 4.37Å; L37-I41 HydrophobicContact CG-CD1 4.01Å; L37-I41 WeakPolarHBondContact O-CB 3.41Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 2.97Å; F38-I41 PolarHBondContact O-N 2.91Å; I41-A43 PolarHBondContact O-N 3.2Å; I41-V44 PolarHBondContact O-N 3.34Å; I41-T45 HydrophobicContact CG2-CG2 4.37Å; I41-T45 WeakPolarHBondContact O-CG2 3.48Å; I41-T45 PolarHBondContact O-N 2.85Å; I41-T45 PolarHBondContact O-OG1 3.4Å; I41-T45 VanDerWaalsContact O-OG1 3.1Å
42	A	86.6	Confident	79.2	Confident	50 Å²	50	89 Å²	89	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-38.6	177.1	0	0	0	0	0	112.9	F38 L39 V40 T45 A46	F38-A42 VanDerWaalsContact O-CB 3.3Å; F38-A42 WeakPolarHBondContact O-CB 3.29Å; F38-A42 PolarHBondContact O-N 3.14Å; L39-A42 PolarHBondContact O-N 3.32Å; V40-A42 PolarHBondContact O-N 2.9Å; A42-T45 WeakPolarHBondContact CA-OG1 3.47Å; A42-T45 PolarHBondContact O-OG1 2.95Å; A42-T45 VanDerWaalsContact O-OG1 3.11Å; A42-A46 WeakPolarHBondContact O-CB 3.41Å; A42-A46 PolarHBondContact O-N 2.88Å
43	A	85.4	Confident	79.5	Confident	62 Å²	62	89 Å²	89	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-41.9	175	0	0	0	0	0	111.7	L39 V40 I41 W47	L39-A43 VanDerWaalsContact O-CB 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.37Å; L39-A43 PolarHBondContact O-N 2.91Å; V40-A43 PolarHBondContact O-N 2.9Å; I41-A43 PolarHBondContact O-N 3.2Å; A43-W47 WeakPolarHBondContact O-CB 3.36Å; A43-W47 PolarHBondContact O-N 2.84Å
44	V	85.8	Confident	79.3	Confident	80 Å²	80	90.8 Å²	90.8	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-41.2	176.8	171	0	0	0	0	111.5	V40 I41 W47 C48	V40-V44 HydrophobicContact CG1-CG2 4.42Å; V40-V44 WeakPolarHBondContact O-CB 3.46Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.46Å; V40-V44 PolarHBondContact O-N 3.06Å; I41-V44 PolarHBondContact O-N 3.34Å; V44-W47 PolarHBondContact O-N 3.45Å; V44-C48 WeakPolarHBondContact O-CB 3.29Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 2.86Å
45	T	83.9	Confident	78.8	Confident	86 Å²	86	95.7 Å²	95.7	53%	0.528	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-41.3	175.8	54.7	0	0	0	0	111.7	I41 A42 W47 C48 Y49	I41-T45 HydrophobicContact CG2-CG2 4.37Å; I41-T45 WeakPolarHBondContact O-CG2 3.48Å; I41-T45 PolarHBondContact O-N 2.85Å; I41-T45 PolarHBondContact O-OG1 3.4Å; I41-T45 VanDerWaalsContact O-OG1 3.1Å; A42-T45 WeakPolarHBondContact CA-OG1 3.47Å; A42-T45 PolarHBondContact O-OG1 2.95Å; A42-T45 VanDerWaalsContact O-OG1 3.11Å; T45-W47 PolarHBondContact O-N 2.85Å; T45-C48 PolarHBondContact O-N 3.37Å; T45-Y49 VanDerWaalsContact O-CB 3.28Å; T45-Y49 WeakPolarHBondContact O-CB 3.4Å; T45-Y49 PolarHBondContact O-N 3.44Å
46	A	81.4	Confident	78	Confident	60 Å²	60	94.5 Å²	94.5	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-41.3	172.9	0	0	0	0	0	112.1	A42 Y49 Y50	A42-A46 WeakPolarHBondContact O-CB 3.41Å; A42-A46 PolarHBondContact O-N 2.88Å; A46-Y49 PolarHBondContact O-N 3.28Å; A46-Y50 VanDerWaalsContact O-CB 3.25Å; A46-Y50 WeakPolarHBondContact O-CB 3.43Å; A46-Y50 PolarHBondContact O-N 2.92Å
47	W	79.3	Confident	77	Confident	163 Å²	163	95.2 Å²	95.2	62%	0.617	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-44.2	176.9	-176	-96.7	0	0	0	112.5	A43 V44 T45 Y49 Y50 I51	A43-W47 WeakPolarHBondContact O-CB 3.36Å; A43-W47 PolarHBondContact O-N 2.84Å; V44-W47 PolarHBondContact O-N 3.45Å; T45-W47 PolarHBondContact O-N 2.85Å; W47-Y49 VanDerWaalsContact C-N 3.34Å; W47-Y49 PolarHBondContact O-N 3.5Å; W47-Y50 PolarHBondContact O-N 2.88Å; W47-I51 HydrophobicContact CZ2-CD1 4.25Å; W47-I51 PolarHBondContact O-N 2.95Å
48	C	79.9	Confident	76.1	Confident	76 Å²	76	97 Å²	97	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-41.3	173.8	-74.1	0	0	0	0	111.8	V44 T45 A52	V44-C48 WeakPolarHBondContact O-CB 3.29Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 2.86Å; T45-C48 PolarHBondContact O-N 3.37Å; C48-A52 VanDerWaalsContact O-CB 3.29Å; C48-A52 WeakPolarHBondContact O-CB 3.19Å; C48-A52 PolarHBondContact O-N 2.84Å
49	Y	77.8	Confident	74.8	Confident	167 Å²	167	93.8 Å²	93.8	66%	0.655	50%	0.501	S	S	*	.	H	α-helix	trans	-64.5	-42.1	174.3	-170.8	-94.2	0	0	0	111.6	T45 A46 W47 A52 S53	T45-Y49 VanDerWaalsContact O-CB 3.28Å; T45-Y49 WeakPolarHBondContact O-CB 3.4Å; T45-Y49 PolarHBondContact O-N 3.44Å; A46-Y49 PolarHBondContact O-N 3.28Å; W47-Y49 VanDerWaalsContact C-N 3.34Å; W47-Y49 PolarHBondContact O-N 3.5Å; Y49-A52 PolarHBondContact O-N 3.11Å; Y49-S53 WeakPolarHBondContact O-CB 3.21Å; Y49-S53 PolarHBondContact O-N 3.1Å
50	Y	75.2	Confident	73.7	Confident	133 Å²	133	88.9 Å²	88.9	52%	0.522	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-46.2	176.1	-179.8	-109.2	0	0	0	112.4	A46 W47 S53 L54	A46-Y50 VanDerWaalsContact O-CB 3.25Å; A46-Y50 WeakPolarHBondContact O-CB 3.43Å; A46-Y50 PolarHBondContact O-N 2.92Å; W47-Y50 PolarHBondContact O-N 2.88Å; Y50-S53 PolarHBondContact O-N 3.32Å; Y50-L54 HydrophobicContact CD1-CD1 3.9Å; Y50-L54 HydrophobicContact CE1-CD1 3.41Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.41Å; Y50-L54 HydrophobicContact CE1-CG 4.28Å; Y50-L54 HydrophobicContact CE2-CD1 4.33Å; Y50-L54 HydrophobicContact CE2-CG 4.38Å; Y50-L54 WeakPolarHBondContact O-CB 3.25Å; Y50-L54 WeakPolarHBondContact O-CG 3.3Å; Y50-L54 PolarHBondContact O-N 2.89Å
51	I	71.6	Confident	72.6	Confident	65 Å²	65	90 Å²	90	33%	0.333	47%	0.473	S	S	.	.	H	α-helix	trans	-65.3	-40.8	175.8	-72.8	-177	0	0	0	111.8	W47 S53 L54 R55	W47-I51 HydrophobicContact CZ2-CD1 4.25Å; W47-I51 PolarHBondContact O-N 2.95Å; I51-S53 VanDerWaalsContact C-N 3.34Å; I51-L54 PolarHBondContact O-N 3.49Å; I51-R55 PolarHBondContact O-N 3.44Å
52	A	68.4	Low	71.6	Confident	53 Å²	53	86.9 Å²	86.9	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-40.1	175.9	0	0	0	0	0	111.9	C48 Y49 K56	C48-A52 VanDerWaalsContact O-CB 3.29Å; C48-A52 WeakPolarHBondContact O-CB 3.19Å; C48-A52 PolarHBondContact O-N 2.84Å; Y49-A52 PolarHBondContact O-N 3.11Å; A52-K56 PolarHBondContact O-N 2.87Å
53	S	65.9	Low	71	Confident	64 Å²	64	94 Å²	94	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-65	-45	175.1	-175.6	0	0	0	0	112	Y49 Y50 I51 K56 A57	Y49-S53 WeakPolarHBondContact O-CB 3.21Å; Y49-S53 PolarHBondContact O-N 3.1Å; Y50-S53 PolarHBondContact O-N 3.32Å; I51-S53 VanDerWaalsContact C-N 3.34Å; S53-K56 WeakPolarHBondContact O-CB 3.28Å; S53-K56 PolarHBondContact O-N 3.41Å; S53-A57 PolarHBondContact O-N 3.33Å
54	L	62.8	Low	71	Confident	84 Å²	84	92.9 Å²	92.9	44%	0.44	47%	0.468	S	S	.	.	H	α-helix	trans	-58.1	-49.8	174.3	-81.2	173.2	0	0	0	112	Y50 I51 K56 A57 E58	Y50-L54 HydrophobicContact CD1-CD1 3.9Å; Y50-L54 HydrophobicContact CE1-CD1 3.41Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.41Å; Y50-L54 HydrophobicContact CE1-CG 4.28Å; Y50-L54 HydrophobicContact CE2-CD1 4.33Å; Y50-L54 HydrophobicContact CE2-CG 4.38Å; Y50-L54 WeakPolarHBondContact O-CB 3.25Å; Y50-L54 WeakPolarHBondContact O-CG 3.3Å; Y50-L54 PolarHBondContact O-N 2.89Å; I51-L54 PolarHBondContact O-N 3.49Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.33Å; L54-A57 PolarHBondContact O-N 2.86Å; L54-A57 VanDerWaalsContact O-N 3.14Å; L54-E58 WeakPolarHBondContact O-CB 3.45Å; L54-E58 PolarHBondContact O-N 3.49Å
55	R	62.4	Low	71.3	Confident	178 Å²	178	89.1 Å²	89.1	67%	0.672	45%	0.445	S	S	*	.	H	α-helix	trans	-60.2	-35.6	176.8	-77.6	-177.2	171.8	-178.9	-1.7	112.7	I51 L59	I51-R55 PolarHBondContact O-N 3.44Å; R55-L59 WeakPolarHBondContact O-CB 3.4Å; R55-L59 PolarHBondContact O-N 3.26Å
56	K	61.6	Low	71.6	Confident	81 Å²	81	86.8 Å²	86.8	35%	0.352	43%	0.43	S	S	.	.	H	α-helix	trans	-67.5	-43.6	172.9	-86	179.1	167.9	173.4	0	112.5	A52 S53 L54 E58 L59 L60 D95	A52-K56 PolarHBondContact O-N 2.87Å; S53-K56 WeakPolarHBondContact O-CB 3.28Å; S53-K56 PolarHBondContact O-N 3.41Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.33Å; K56-E58 VanDerWaalsContact C-N 3.26Å; K56-E58 PolarHBondContact O-N 2.91Å; K56-L59 WeakPolarHBondContact O-CB 3.3Å; K56-L59 PolarHBondContact O-N 3.49Å; K56-L60 VanDerWaalsContact O-CG 3.32Å; K56-L60 WeakPolarHBondContact O-CG 3.48Å; K56-L60 PolarHBondContact O-N 2.95Å; K56-L60 VanDerWaalsContact O-N 3.09Å; K56-D95 IonicContact NZ-OD1 2.68Å; K56-D95 PolarHBondContact NZ-OD1 2.93Å
57	A	59.9	Low	72.1	Confident	47 Å²	47	84.1 Å²	84.1	39%	0.388	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-32.8	175.9	0	0	0	0	0	112.4	S53 L54	S53-A57 PolarHBondContact O-N 3.33Å; L54-A57 PolarHBondContact O-N 2.86Å; L54-A57 VanDerWaalsContact O-N 3.14Å
58	E	62	Low	72.6	Confident	144 Å²	144	79.3 Å²	79.3	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-74.2	-37.8	174.8	-154.1	167.3	-142.8	0	0	111.9	L54 K56 L60 K61	L54-E58 WeakPolarHBondContact O-CB 3.45Å; L54-E58 PolarHBondContact O-N 3.49Å; K56-E58 VanDerWaalsContact C-N 3.26Å; K56-E58 PolarHBondContact O-N 2.91Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.47Å; E58-K61 PolarHBondContact O-N 2.87Å; E58-K61 VanDerWaalsContact O-N 3.15Å
59	L	59.7	Low	73.1	Confident	83 Å²	83	80.5 Å²	80.5	44%	0.435	39%	0.39	S	S	.	.	H	α-helix	trans	-59	-40.1	172.2	-101.2	157.2	0	0	0	113.4	R55 K56 K61 K99	R55-L59 WeakPolarHBondContact O-CB 3.4Å; R55-L59 PolarHBondContact O-N 3.26Å; K56-L59 WeakPolarHBondContact O-CB 3.3Å; K56-L59 PolarHBondContact O-N 3.49Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-K99 HydrophobicContact CD2-CB 3.55Å; L59-K99 HydrophobicContact CD2-CD 3.95Å; L59-K99 HydrophobicContact CD2-CG 4.42Å
60	L	63	Low	73.8	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.063	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.4	178.9	-66.6	164.2	0	0	0	113.2	K56 E58 L67 L94 C97 L104	K56-L60 VanDerWaalsContact O-CG 3.32Å; K56-L60 WeakPolarHBondContact O-CG 3.48Å; K56-L60 PolarHBondContact O-N 2.95Å; K56-L60 VanDerWaalsContact O-N 3.09Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.47Å; L60-L67 WeakPolarHBondContact CB-O 3.36Å; L60-L67 HydrophobicContact CD2-CD2 3.89Å; L60-L67 HydrophobicContact CD2-CG 4.33Å; L60-L67 PolarHBondContact O-N 3.11Å; L60-L94 HydrophobicContact CD1-CB 4.3Å; L60-L94 HydrophobicContact CD1-CD1 3.75Å; L60-L94 HydrophobicContact CD1-CD2 3.78Å; L60-L94 HydrophobicContact CD1-CG 4.15Å; L60-L94 HydrophobicContact CD2-CD2 4.29Å; L60-C97 HydrophobicContact CD2-CB 4.33Å; L60-L104 HydrophobicContact CD2-CD2 4.45Å
61	K	64.4	Low	74.8	Confident	111 Å²	111	69.3 Å²	69.3	48%	0.483	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.7	169.9	-70.3	176.4	179.4	-178.9	0	110.7	E58 L59 D66 K99	E58-K61 PolarHBondContact O-N 2.87Å; E58-K61 VanDerWaalsContact O-N 3.15Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-D66 VanDerWaalsContact CE-CG 3.5Å; K61-D66 VanDerWaalsContact CE-OD1 3.29Å; K61-D66 WeakPolarHBondContact CE-OD1 3.27Å; K61-D66 VanDerWaalsContact CE-OD2 3.31Å; K61-D66 WeakPolarHBondContact CE-OD2 3.47Å; K61-D66 HydrophobicContact CG-CB 4.42Å; K61-D66 IonicContact NZ-OD2 3.76Å; K61-K99 PolarHBondContact O-NZ 3.38Å
62	T	67.1	Low	75.9	Confident	25 Å²	25	66.3 Å²	66.3	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.4	163.9	48.7	0	0	0	0	106.9	L64 L65	T62-L64 PolarHBondContact O-N 3.36Å; T62-L65 PolarHBondContact N-O 3.12Å; T62-L65 PolarHBondContact O-N 3.31Å; T62-L65 VanDerWaalsContact OG1-CB 3.28Å; T62-L65 WeakPolarHBondContact OG1-CB 3.25Å; T62-L65 PolarHBondContact OG1-O 3.4Å; T62-L65 VanDerWaalsContact OG1-O 3.09Å
63	Q	72.9	Confident	77.2	Confident	199 Å²	199	64.6 Å²	64.6	93%	0.93	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	-40.5	-166.2	-82.2	-177.4	-24.2	0	0	115.3
64	L	85.9	Confident	78.6	Confident	39 Å²	39	61.6 Å²	61.6	20%	0.204	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-3.3	-178.3	-63.2	-178.2	0	0	0	114.6	T62 I74 R75 N76 Y130	T62-L64 PolarHBondContact O-N 3.36Å; L64-I74 CarbonylContact O-C 3.58Å; L64-I74 WeakPolarHBondContact O-CA 3.33Å; L64-R75 PolarHBondContact O-N 3.39Å; L64-N76 WeakPolarHBondContact CD2-O 3.31Å; L64-Y130 VanDerWaalsContact CB-OH 3.32Å; L64-Y130 WeakPolarHBondContact CB-OH 3.48Å
65	L	91.4	Very high	79.9	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.7	-177.1	156.2	78.7	0	0	0	110.3	T62 Y72 I74 I118 Y130	T62-L65 PolarHBondContact N-O 3.12Å; T62-L65 PolarHBondContact O-N 3.31Å; T62-L65 VanDerWaalsContact OG1-CB 3.28Å; T62-L65 WeakPolarHBondContact OG1-CB 3.25Å; T62-L65 PolarHBondContact OG1-O 3.4Å; T62-L65 VanDerWaalsContact OG1-O 3.09Å; L65-Y72 HydrophobicContact CD1-CD2 3.51Å; L65-Y72 HydrophobicContact CD1-CE2 4.45Å; L65-Y72 HydrophobicContact CD1-CG 3.94Å; L65-I74 HydrophobicContact CD1-CG1 4.29Å; L65-I118 HydrophobicContact CD1-CD1 3.72Å; L65-I118 HydrophobicContact CD2-CD1 3.53Å; L65-I118 HydrophobicContact CD2-CG1 3.85Å; L65-I118 HydrophobicContact CD2-CG2 4.23Å; L65-I118 HydrophobicContact CG-CD1 4.29Å; L65-Y130 HydrophobicContact CB-CD1 4.13Å; L65-Y130 HydrophobicContact CB-CE1 3.52Å; L65-Y130 HydrophobicContact CD2-CD1 3.73Å; L65-Y130 HydrophobicContact CD2-CE1 3.92Å; L65-Y130 HydrophobicContact CG-CD1 4.39Å; L65-Y130 HydrophobicContact CG-CE1 4.26Å
66	D	90.9	Very high	81	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	104	178.2	-171.3	-4.4	0	0	0	108.3	K61 Y72 I73	K61-D66 VanDerWaalsContact CE-CG 3.5Å; K61-D66 VanDerWaalsContact CE-OD1 3.29Å; K61-D66 WeakPolarHBondContact CE-OD1 3.27Å; K61-D66 VanDerWaalsContact CE-OD2 3.31Å; K61-D66 WeakPolarHBondContact CE-OD2 3.47Å; K61-D66 HydrophobicContact CG-CB 4.42Å; K61-D66 IonicContact NZ-OD2 3.76Å; D66-Y72 VanDerWaalsContact O-CA 3.31Å; D66-Y72 WeakPolarHBondContact O-CA 3.32Å; D66-I73 HydrophobicContact CB-CD1 4.22Å; D66-I73 HydrophobicContact CB-CG1 3.73Å; D66-I73 PolarHBondContact N-O 3.09Å; D66-I73 PolarHBondContact O-N 3.22Å
67	L	91.3	Very high	81.9	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.1	177.4	176.7	66.3	0	0	0	109.3	L60 F87 L92 L104 F116 I118	L60-L67 WeakPolarHBondContact CB-O 3.36Å; L60-L67 HydrophobicContact CD2-CD2 3.89Å; L60-L67 HydrophobicContact CD2-CG 4.33Å; L60-L67 PolarHBondContact O-N 3.11Å; L67-F87 HydrophobicContact CD1-CE2 4.07Å; L67-F87 HydrophobicContact CD1-CZ 4Å; L67-L92 HydrophobicContact CD1-CD1 4.3Å; L67-L104 HydrophobicContact CB-CD1 4.41Å; L67-L104 HydrophobicContact CD2-CB 4.27Å; L67-L104 HydrophobicContact CD2-CD1 4.1Å; L67-F116 HydrophobicContact CD1-CE1 4.2Å; L67-F116 HydrophobicContact CD1-CZ 4.03Å; L67-F116 HydrophobicContact CD2-CE1 3.92Å; L67-I118 HydrophobicContact CD2-CG2 4.11Å
68	N	90.8	Very high	82.9	Confident	62 Å²	62	61.9 Å²	61.9	33%	0.332	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	176.8	172.6	67.4	76.3	0	0	0	110.4	D70 G71	N68-D70 PolarHBondContact O-N 2.9Å; N68-D70 PolarHBondContact OD1-N 3.12Å; N68-G71 CarbonylContact C-O 3.54Å; N68-G71 VanDerWaalsContact CG-O 3.25Å; N68-G71 PolarHBondContact N-O 3.41Å; N68-G71 PolarHBondContact ND2-O 2.77Å; N68-G71 PolarHBondContact OD1-N 2.86Å; N68-G71 VanDerWaalsContact OD1-N 3.11Å; N68-G71 PolarHBondContact OD1-O 3.07Å
69	K	90.1	Very high	84	Confident	102 Å²	102	56.6 Å²	56.6	44%	0.443	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.9	-175	68.6	171.6	-156.7	171.4	0	113.7	T91 L92 L94	K69-T91 HydrophobicContact CB-CG2 3.62Å; K69-T91 HydrophobicContact CD-CG2 3.61Å; K69-T91 HydrophobicContact CG-CG2 3.69Å; K69-T91 CarbonylContact O-C 3.6Å; K69-T91 WeakPolarHBondContact O-CA 3.37Å; K69-L92 PolarHBondContact O-N 2.82Å; K69-L94 HydrophobicContact CB-CD1 4.03Å; K69-L94 HydrophobicContact CB-CD2 4.17Å; K69-L94 HydrophobicContact CB-CG 3.96Å
70	D	93.1	Very high	85.3	Confident	65 Å²	65	56.1 Å²	56.1	35%	0.348	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	7.4	-173.3	-55.1	-49	0	0	0	112.6	N68 N86 F87 T91	N68-D70 PolarHBondContact O-N 2.9Å; N68-D70 PolarHBondContact OD1-N 3.12Å; D70-N86 CarbonylContact O-C 3.58Å; D70-N86 WeakPolarHBondContact O-CA 3.49Å; D70-F87 PolarHBondContact O-N 2.57Å; D70-T91 WeakPolarHBondContact OD1-CB 3.02Å; D70-T91 VanDerWaalsContact OD1-CG2 3.25Å; D70-T91 WeakPolarHBondContact OD1-CG2 3.48Å; D70-T91 PolarHBondContact OD1-OG1 3.46Å
71	G	95.3	Very high	86.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-166	-177.6	0	0	0	0	0	113.9	N68 M85 F87	N68-G71 CarbonylContact C-O 3.54Å; N68-G71 VanDerWaalsContact CG-O 3.25Å; N68-G71 PolarHBondContact N-O 3.41Å; N68-G71 PolarHBondContact ND2-O 2.77Å; N68-G71 PolarHBondContact OD1-N 2.86Å; N68-G71 VanDerWaalsContact OD1-N 3.11Å; N68-G71 PolarHBondContact OD1-O 3.07Å; G71-M85 CarbonylContact C-O 3.18Å; G71-M85 WeakPolarHBondContact CA-O 3.36Å; G71-F87 VanDerWaalsContact CA-CE2 3.46Å
72	Y	95.4	Very high	88.1	Confident	1 Å²	1	53 Å²	53	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159	170.9	66	-84.8	0	0	0	112.2	L65 D66 I74 F83 M85 F87 I118 V132 Y250	L65-Y72 HydrophobicContact CD1-CD2 3.51Å; L65-Y72 HydrophobicContact CD1-CE2 4.45Å; L65-Y72 HydrophobicContact CD1-CG 3.94Å; D66-Y72 VanDerWaalsContact O-CA 3.31Å; D66-Y72 WeakPolarHBondContact O-CA 3.32Å; Y72-I74 HydrophobicContact CD2-CG1 4.22Å; Y72-I74 HydrophobicContact CE2-CD1 4.08Å; Y72-I74 HydrophobicContact CE2-CG1 4.23Å; Y72-F83 AromaticContact CE2-CD1 3.92Å; Y72-F83 HydrophobicContact CE2-CD1 3.92Å; Y72-F83 AromaticContact CE2-CE1 3.8Å; Y72-F83 HydrophobicContact CE2-CE1 3.8Å; Y72-F83 AromaticContact CZ-CE1 3.93Å; Y72-M85 HydrophobicContact CD1-CB 4.18Å; Y72-M85 HydrophobicContact CE1-CB 3.64Å; Y72-M85 HydrophobicContact CE1-CG 3.88Å; Y72-M85 HydrophobicContact CE2-CB 4.31Å; Y72-M85 PolarHBondContact N-O 3.09Å; Y72-M85 PolarHBondContact O-N 2.86Å; Y72-F87 AromaticContact CD1-CE1 3.95Å; Y72-F87 HydrophobicContact CD1-CE1 3.95Å; Y72-F87 AromaticContact CD1-CZ 3.87Å; Y72-F87 HydrophobicContact CD1-CZ 3.87Å; Y72-F87 HydrophobicContact CE1-CE1 4.13Å; Y72-F87 HydrophobicContact CE1-CZ 4.46Å; Y72-I118 HydrophobicContact CD1-CD1 4.41Å; Y72-I118 HydrophobicContact CD2-CD1 4.1Å; Y72-I118 HydrophobicContact CE1-CD1 4.46Å; Y72-I118 HydrophobicContact CE2-CD1 4.15Å; Y72-I118 HydrophobicContact CG-CD1 4.24Å; Y72-V132 HydrophobicContact CE1-CG2 4.18Å; Y72-Y250 WeakPolarHBondContact CE1-OH 3.37Å; Y72-Y250 WeakPolarHBondContact OH-CE2 3.33Å; Y72-Y250 PolarHBondContact OH-OH 2.83Å
73	I	95.3	Very high	89.4	Confident	18 Å²	18	52 Å²	52	9%	0.092	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.3	171.5	60.9	176	0	0	0	110.3	D66 I81 F83 R84	D66-I73 HydrophobicContact CB-CD1 4.22Å; D66-I73 HydrophobicContact CB-CG1 3.73Å; D66-I73 PolarHBondContact N-O 3.09Å; D66-I73 PolarHBondContact O-N 3.22Å; I73-I81 HydrophobicContact CB-CG2 4.27Å; I73-I81 HydrophobicContact CD1-CD1 3.92Å; I73-I81 HydrophobicContact CD1-CG1 4.22Å; I73-I81 HydrophobicContact CG2-CG2 4.44Å; I73-F83 VanDerWaalsContact CA-O 3.3Å; I73-F83 WeakPolarHBondContact CA-O 3.15Å; I73-R84 HydrophobicContact CG2-CB 3.85Å; I73-R84 HydrophobicContact CG2-CG 3.86Å
74	I	94.7	Very high	90.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.9	169.3	-54.7	160.2	0	0	0	108	L64 L65 Y72 V82 F83 Y130 V252 V254	L64-I74 CarbonylContact O-C 3.58Å; L64-I74 WeakPolarHBondContact O-CA 3.33Å; L65-I74 HydrophobicContact CD1-CG1 4.29Å; Y72-I74 HydrophobicContact CD2-CG1 4.22Å; Y72-I74 HydrophobicContact CE2-CD1 4.08Å; Y72-I74 HydrophobicContact CE2-CG1 4.23Å; I74-V82 HydrophobicContact CB-CG2 4.44Å; I74-V82 HydrophobicContact CG2-CG2 4.22Å; I74-V82 WeakPolarHBondContact O-CG2 3.45Å; I74-V82 PolarHBondContact O-N 2.92Å; I74-F83 HydrophobicContact CB-CB 4.04Å; I74-F83 HydrophobicContact CD1-CB 4.16Å; I74-F83 HydrophobicContact CD1-CD1 3.81Å; I74-F83 HydrophobicContact CD1-CG 4.26Å; I74-F83 HydrophobicContact CG1-CB 4.42Å; I74-F83 HydrophobicContact CG1-CD1 4.36Å; I74-F83 PolarHBondContact N-O 3.41Å; I74-F83 PolarHBondContact O-N 2.62Å; I74-Y130 HydrophobicContact CB-CE2 4.42Å; I74-Y130 HydrophobicContact CD1-CD2 3.37Å; I74-Y130 HydrophobicContact CD1-CE2 3.67Å; I74-Y130 HydrophobicContact CD1-CG 4.04Å; I74-Y130 HydrophobicContact CG1-CD2 4.01Å; I74-Y130 HydrophobicContact CG1-CE2 3.92Å; I74-Y130 HydrophobicContact CG2-CD2 4.44Å; I74-Y130 HydrophobicContact CG2-CE2 3.59Å; I74-V252 HydrophobicContact CD1-CB 4.01Å; I74-V252 HydrophobicContact CD1-CG1 3.67Å; I74-V254 HydrophobicContact CG2-CG2 3.94Å
75	R	91.3	Very high	91.1	Very high	87 Å²	87	45 Å²	45	33%	0.328	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.4	176.8	-64.6	174.4	-176.9	-87.5	1.7	110.3	L64 G79 S80 I81	L64-R75 PolarHBondContact O-N 3.39Å; R75-G79 WeakPolarHBondContact CD-O 3.44Å; R75-G79 PolarHBondContact NH1-O 3.3Å; R75-S80 CarbonylContact C-O 3.55Å; R75-S80 WeakPolarHBondContact CA-O 3.28Å; R75-I81 HydrophobicContact CG-CG1 4.32Å
76	N	85.1	Confident	91.4	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	27%	0.265	S	S	.	.			trans	-78.5	175.1	164.6	69	8	0	0	0	110.7	L64 G78 G79 S80 V82	L64-N76 WeakPolarHBondContact CD2-O 3.31Å; N76-G78 PolarHBondContact O-N 2.97Å; N76-G78 WeakPolarHBondContact OD1-CA 3.29Å; N76-G78 PolarHBondContact OD1-N 2.88Å; N76-G78 VanDerWaalsContact OD1-N 3.15Å; N76-G79 PolarHBondContact O-N 3.45Å; N76-G79 PolarHBondContact OD1-N 2.86Å; N76-G79 VanDerWaalsContact OD1-N 3.17Å; N76-S80 PolarHBondContact N-O 2.87Å; N76-S80 PolarHBondContact OD1-N 2.86Å; N76-S80 PolarHBondContact OD1-O 2.98Å; N76-V82 HydrophobicContact CB-CG1 3.87Å
77	Q	81.1	Confident	91.6	Very high	180 Å²	180	47.4 Å²	47.4	84%	0.841	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.8	178.5	-66.1	-179.2	-7.7	0	0	113.4	G79	Q77-G79 PolarHBondContact O-N 2.92Å
78	G	80.3	Confident	91.8	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	2.6	172.1	0	0	0	0	0	114.9	N76 S80	N76-G78 PolarHBondContact O-N 2.97Å; N76-G78 WeakPolarHBondContact OD1-CA 3.29Å; N76-G78 PolarHBondContact OD1-N 2.88Å; N76-G78 VanDerWaalsContact OD1-N 3.15Å; G78-S80 VanDerWaalsContact C-N 3.3Å; G78-S80 PolarHBondContact O-N 3.28Å
79	G	83.8	Confident	91.7	Very high	33 Å²	33	51 Å²	51	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	82.2	-5.8	178.3	0	0	0	0	0	115.6	R75 N76 Q77	R75-G79 WeakPolarHBondContact CD-O 3.44Å; R75-G79 PolarHBondContact NH1-O 3.3Å; N76-G79 PolarHBondContact O-N 3.45Å; N76-G79 PolarHBondContact OD1-N 2.86Å; N76-G79 VanDerWaalsContact OD1-N 3.17Å; Q77-G79 PolarHBondContact O-N 2.92Å
80	S	88.4	Confident	91.5	Very high	73 Å²	73	47.1 Å²	47.1	51%	0.51	26%	0.258	S	S	.	.			trans	-69.6	139.7	176.6	-69	0	0	0	0	111.4	R75 N76 G78 V82	R75-S80 CarbonylContact C-O 3.55Å; R75-S80 WeakPolarHBondContact CA-O 3.28Å; N76-S80 PolarHBondContact N-O 2.87Å; N76-S80 PolarHBondContact OD1-N 2.86Å; N76-S80 PolarHBondContact OD1-O 2.98Å; G78-S80 VanDerWaalsContact C-N 3.3Å; G78-S80 PolarHBondContact O-N 3.28Å; S80-V82 PolarHBondContact O-N 3.44Å
81	I	92.2	Very high	91.4	Very high	47 Å²	47	45.9 Å²	45.9	24%	0.241	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	115.9	177.1	-57.5	177.4	0	0	0	108.7	I73 R75 F83	I73-I81 HydrophobicContact CB-CG2 4.27Å; I73-I81 HydrophobicContact CD1-CD1 3.92Å; I73-I81 HydrophobicContact CD1-CG1 4.22Å; I73-I81 HydrophobicContact CG2-CG2 4.44Å; R75-I81 HydrophobicContact CG-CG1 4.32Å; I81-F83 WeakPolarHBondContact CG2-O 3.46Å
82	V	93.4	Very high	91.2	Very high	10 Å²	10	46 Å²	46	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-23.6	174.2	-66.5	0	0	0	0	112.2	I74 N76 S80 N202 V254	I74-V82 HydrophobicContact CB-CG2 4.44Å; I74-V82 HydrophobicContact CG2-CG2 4.22Å; I74-V82 WeakPolarHBondContact O-CG2 3.45Å; I74-V82 PolarHBondContact O-N 2.92Å; N76-V82 HydrophobicContact CB-CG1 3.87Å; S80-V82 PolarHBondContact O-N 3.44Å; V82-N202 HydrophobicContact CG1-CB 4.45Å; V82-N202 PolarHBondContact O-ND2 2.91Å; V82-V254 HydrophobicContact CG2-CG1 4.21Å; V82-V254 HydrophobicContact CG2-CG2 4Å
83	F	95.5	Very high	91	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145	-177.9	-170	-103.2	0	0	0	112.2	Y72 I73 I74 I81 M85 M147 W154 T204 I206 V252	Y72-F83 AromaticContact CE2-CD1 3.92Å; Y72-F83 HydrophobicContact CE2-CD1 3.92Å; Y72-F83 AromaticContact CE2-CE1 3.8Å; Y72-F83 HydrophobicContact CE2-CE1 3.8Å; Y72-F83 AromaticContact CZ-CE1 3.93Å; I73-F83 VanDerWaalsContact CA-O 3.3Å; I73-F83 WeakPolarHBondContact CA-O 3.15Å; I74-F83 HydrophobicContact CB-CB 4.04Å; I74-F83 HydrophobicContact CD1-CB 4.16Å; I74-F83 HydrophobicContact CD1-CD1 3.81Å; I74-F83 HydrophobicContact CD1-CG 4.26Å; I74-F83 HydrophobicContact CG1-CB 4.42Å; I74-F83 HydrophobicContact CG1-CD1 4.36Å; I74-F83 PolarHBondContact N-O 3.41Å; I74-F83 PolarHBondContact O-N 2.62Å; I81-F83 WeakPolarHBondContact CG2-O 3.46Å; F83-M85 HydrophobicContact CE1-CB 3.77Å; F83-M85 HydrophobicContact CE1-CE 4.11Å; F83-M85 HydrophobicContact CZ-CB 4.34Å; F83-M85 HydrophobicContact CZ-CE 3.58Å; F83-M147 HydrophobicContact CE2-CG 3.72Å; F83-M147 HydrophobicContact CE2-SD 3.71Å; F83-M147 HydrophobicContact CZ-CG 3.96Å; F83-M147 HydrophobicContact CZ-SD 4.24Å; F83-W154 HydrophobicContact CD2-CH2 4.23Å; F83-W154 HydrophobicContact CE2-CH2 4.15Å; F83-T204 HydrophobicContact CB-CG2 4.28Å; F83-T204 HydrophobicContact CD2-CG2 3.88Å; F83-T204 HydrophobicContact CG-CG2 4.31Å; F83-I206 HydrophobicContact CE2-CD1 3.6Å; F83-I206 HydrophobicContact CE2-CG1 4.12Å; F83-I206 HydrophobicContact CZ-CD1 4.05Å; F83-V252 HydrophobicContact CD1-CG1 4Å; F83-V252 HydrophobicContact CD1-CG2 4.35Å; F83-V252 HydrophobicContact CD2-CG1 4.1Å; F83-V252 HydrophobicContact CE1-CB 4.39Å; F83-V252 HydrophobicContact CE1-CG1 4.04Å; F83-V252 HydrophobicContact CE1-CG2 3.63Å; F83-V252 HydrophobicContact CE2-CG1 4.16Å; F83-V252 HydrophobicContact CE2-CG2 4.41Å; F83-V252 HydrophobicContact CG-CG1 3.99Å; F83-V252 HydrophobicContact CZ-CG1 4.09Å; F83-V252 HydrophobicContact CZ-CG2 3.64Å
84	R	96.5	Very high	90.6	Very high	92 Å²	92	49.2 Å²	49.2	35%	0.347	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	132.7	172	171	-175.4	-55.9	-159.8	1.8	110.2	I73 T148	I73-R84 HydrophobicContact CG2-CB 3.85Å; I73-R84 HydrophobicContact CG2-CG 3.86Å; R84-T148 HydrophobicContact CB-CG2 3.74Å; R84-T148 HydrophobicContact CG-CG2 4.11Å; R84-T148 PolarHBondContact O-N 2.79Å
85	M	97.2	Very high	90.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.7	175.4	-176.9	70	66.9	0	0	109.3	G71 Y72 F83 H145 A146 M147 F227 Y250	G71-M85 CarbonylContact C-O 3.18Å; G71-M85 WeakPolarHBondContact CA-O 3.36Å; Y72-M85 HydrophobicContact CD1-CB 4.18Å; Y72-M85 HydrophobicContact CE1-CB 3.64Å; Y72-M85 HydrophobicContact CE1-CG 3.88Å; Y72-M85 HydrophobicContact CE2-CB 4.31Å; Y72-M85 PolarHBondContact N-O 3.09Å; Y72-M85 PolarHBondContact O-N 2.86Å; F83-M85 HydrophobicContact CE1-CB 3.77Å; F83-M85 HydrophobicContact CE1-CE 4.11Å; F83-M85 HydrophobicContact CZ-CB 4.34Å; F83-M85 HydrophobicContact CZ-CE 3.58Å; M85-H145 HydrophobicContact CG-CB 3.83Å; M85-H145 HydrophobicContact SD-CB 3.36Å; M85-H145 WeakPolarHBondContact SD-CB 3.32Å; M85-A146 VanDerWaalsContact SD-C 3.54Å; M85-M147 HydrophobicContact CE-CB 3.59Å; M85-M147 HydrophobicContact CE-CG 3.83Å; M85-M147 HydrophobicContact SD-CB 3.91Å; M85-F227 HydrophobicContact CE-CD2 3.8Å; M85-F227 HydrophobicContact CE-CE2 3.91Å; M85-Y250 HydrophobicContact CE-CE2 4.12Å
86	N	97.4	Very high	90.2	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.8	175.5	-63.1	-1.9	0	0	0	110	D70 H145 A146	D70-N86 CarbonylContact O-C 3.58Å; D70-N86 WeakPolarHBondContact O-CA 3.49Å; N86-H145 CarbonylContact O-C 3.52Å; N86-H145 VanDerWaalsContact O-CA 3.24Å; N86-H145 WeakPolarHBondContact O-CA 3.38Å; N86-H145 WeakPolarHBondContact O-CB 3.43Å; N86-A146 HydrophobicContact CB-CB 4.31Å; N86-A146 PolarHBondContact N-O 3.09Å; N86-A146 PolarHBondContact O-N 3.26Å
87	F	95.8	Very high	90.4	Very high	16 Å²	16	48.6 Å²	48.6	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.6	173.5	-51.4	-42.4	0	0	0	109.8	L67 D70 G71 Y72 L92 F116 W134 H145	L67-F87 HydrophobicContact CD1-CE2 4.07Å; L67-F87 HydrophobicContact CD1-CZ 4Å; D70-F87 PolarHBondContact O-N 2.57Å; G71-F87 VanDerWaalsContact CA-CE2 3.46Å; Y72-F87 AromaticContact CD1-CE1 3.95Å; Y72-F87 HydrophobicContact CD1-CE1 3.95Å; Y72-F87 AromaticContact CD1-CZ 3.87Å; Y72-F87 HydrophobicContact CD1-CZ 3.87Å; Y72-F87 HydrophobicContact CE1-CE1 4.13Å; Y72-F87 HydrophobicContact CE1-CZ 4.46Å; F87-L92 HydrophobicContact CD2-CD1 4.17Å; F87-L92 HydrophobicContact CD2-CG 4.14Å; F87-L92 HydrophobicContact CE2-CD1 3.52Å; F87-L92 HydrophobicContact CE2-CG 4Å; F87-L92 HydrophobicContact CZ-CD1 4.27Å; F87-F116 HydrophobicContact CE1-CE2 4.1Å; F87-F116 AromaticContact CZ-CE2 3.76Å; F87-F116 HydrophobicContact CZ-CE2 3.76Å; F87-F116 AromaticContact CZ-CZ 3.85Å; F87-F116 HydrophobicContact CZ-CZ 3.85Å; F87-W134 HydrophobicContact CB-CH2 4.21Å; F87-W134 HydrophobicContact CB-CZ3 3.9Å; F87-W134 HydrophobicContact CD1-CE3 4.13Å; F87-W134 AromaticContact CD1-CZ3 3.9Å; F87-W134 HydrophobicContact CD1-CZ3 3.9Å; F87-W134 HydrophobicContact CD2-CH2 4.42Å; F87-W134 AromaticContact CD2-CZ3 3.67Å; F87-W134 HydrophobicContact CD2-CZ3 3.67Å; F87-W134 HydrophobicContact CE1-CE3 4.36Å; F87-W134 HydrophobicContact CE1-CZ3 4.32Å; F87-W134 HydrophobicContact CE2-CZ3 4.14Å; F87-W134 HydrophobicContact CG-CE3 4.24Å; F87-W134 HydrophobicContact CG-CH2 4.31Å; F87-W134 AromaticContact CG-CZ3 3.54Å; F87-W134 HydrophobicContact CG-CZ3 3.54Å; F87-W134 HydrophobicContact CZ-CZ3 4.43Å; F87-H145 AromaticContact CD1-CD2 3.52Å; F87-H145 AromaticContact CD1-NE2 3.56Å
88	R	94.4	Very high	90.8	Very high	128 Å²	128	42.6 Å²	42.6	48%	0.483	25%	0.254	S	S	.	.	S	Bend	trans	-113.9	-16.2	177.4	-72.5	178.3	57.3	121.6	-3.8	113.5	G90 E144 A146	R88-G90 PolarHBondContact O-N 3.24Å; R88-E144 WeakPolarHBondContact CA-O 3.34Å; R88-E144 HydrophobicContact CB-CB 4.16Å; R88-E144 HydrophobicContact CB-CG 4.02Å; R88-E144 WeakPolarHBondContact CD-OE1 3.2Å; R88-E144 IonicContact CZ-OE1 3.95Å; R88-E144 PolarHBondContact N-O 2.83Å; R88-E144 IonicContact NE-OE1 2.88Å; R88-E144 PolarHBondContact NE-OE1 3.03Å; R88-E144 IonicContact NH2-OE1 2.74Å; R88-E144 PolarHBondContact NH2-OE1 2.91Å; R88-A146 VanDerWaalsContact CD-CB 3.48Å; R88-A146 HydrophobicContact CG-CB 4.14Å
89	S	88.6	Confident	91.1	Very high	13 Å²	13	42.9 Å²	42.9	9%	0.091	24%	0.236	C	C	.	.	S	Bend	trans	-80.7	11	171.8	-65.5	0	0	0	0	115.2	R112 P142 V143 E144	S89-R112 PolarHBondContact O-NH2 2.96Å; S89-P142 PolarHBondContact OG-O 2.65Å; S89-V143 VanDerWaalsContact OG-CA 3.26Å; S89-V143 WeakPolarHBondContact OG-CA 3.16Å; S89-E144 PolarHBondContact N-O 2.8Å; S89-E144 PolarHBondContact OG-N 2.78Å
90	G	86.9	Confident	91.2	Very high	20 Å²	20	46.1 Å²	46.1	21%	0.206	24%	0.242	C	C	.	.			trans	131.4	166.2	172.9	0	0	0	0	0	113.4	R88 W134	R88-G90 PolarHBondContact O-N 3.24Å; G90-W134 WeakPolarHBondContact O-CH2 3.07Å
91	T	90.3	Very high	91.1	Very high	39 Å²	39	50.5 Å²	50.5	24%	0.239	26%	0.255	C	S	.	.			trans	-86.2	128.9	177.5	-62.2	0	0	0	0	110.2	K69 D70 T109 T110	K69-T91 HydrophobicContact CB-CG2 3.62Å; K69-T91 HydrophobicContact CD-CG2 3.61Å; K69-T91 HydrophobicContact CG-CG2 3.69Å; K69-T91 CarbonylContact O-C 3.6Å; K69-T91 WeakPolarHBondContact O-CA 3.37Å; D70-T91 WeakPolarHBondContact OD1-CB 3.02Å; D70-T91 VanDerWaalsContact OD1-CG2 3.25Å; D70-T91 WeakPolarHBondContact OD1-CG2 3.48Å; D70-T91 PolarHBondContact OD1-OG1 3.46Å; T91-T109 CarbonylContact O-C 3.28Å; T91-T109 WeakPolarHBondContact O-CA 3.47Å; T91-T109 WeakPolarHBondContact O-CB 3.09Å; T91-T109 VanDerWaalsContact O-CG2 3.3Å; T91-T109 WeakPolarHBondContact O-CG2 3.29Å; T91-T110 PolarHBondContact O-N 3.3Å; T91-T110 VanDerWaalsContact O-N 3.07Å
92	L	92.2	Very high	90.8	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-63.2	133.1	173.6	-67.5	178.1	0	0	0	110.8	L67 K69 F87 L94 C106 L114 F116 W134	L67-L92 HydrophobicContact CD1-CD1 4.3Å; K69-L92 PolarHBondContact O-N 2.82Å; F87-L92 HydrophobicContact CD2-CD1 4.17Å; F87-L92 HydrophobicContact CD2-CG 4.14Å; F87-L92 HydrophobicContact CE2-CD1 3.52Å; F87-L92 HydrophobicContact CE2-CG 4Å; F87-L92 HydrophobicContact CZ-CD1 4.27Å; L92-L94 HydrophobicContact CB-CD2 4.43Å; L92-L94 PolarHBondContact O-N 3.46Å; L92-C106 HydrophobicContact CD2-CB 4.19Å; L92-L114 HydrophobicContact CD2-CD1 4.19Å; L92-L114 HydrophobicContact CD2-CD2 4.42Å; L92-F116 HydrophobicContact CD1-CD1 3.97Å; L92-F116 HydrophobicContact CD1-CE1 3.93Å; L92-F116 HydrophobicContact CD1-CG 4.36Å; L92-F116 HydrophobicContact CD1-CZ 4.28Å; L92-F116 HydrophobicContact CD2-CB 4.21Å; L92-F116 HydrophobicContact CD2-CD1 4.45Å; L92-F116 HydrophobicContact CD2-CG 4.22Å; L92-W134 HydrophobicContact CD2-CE3 4.35Å; L92-W134 HydrophobicContact CD2-CH2 3.65Å; L92-W134 HydrophobicContact CD2-CZ3 3.55Å; L92-W134 HydrophobicContact CG-CH2 4.17Å; L92-W134 HydrophobicContact CG-CZ3 3.94Å
93	D	91.2	Very high	90.7	Very high	35 Å²	35	53.7 Å²	53.7	19%	0.187	27%	0.268	C	S	.	.			trans	-77.7	108.3	164	169.4	31.9	0	0	0	108.9	D95 S96 C97 R108	D93-D95 PolarHBondContact O-N 3.17Å; D93-D95 WeakPolarHBondContact OD1-CB 3.49Å; D93-D95 PolarHBondContact OD1-N 2.9Å; D93-S96 VanDerWaalsContact O-CB 3.31Å; D93-S96 WeakPolarHBondContact O-CB 3.11Å; D93-S96 PolarHBondContact O-N 3.15Å; D93-S96 PolarHBondContact O-OG 3.19Å; D93-S96 PolarHBondContact OD2-N 3.38Å; D93-C97 PolarHBondContact O-SG 2.73Å; D93-R108 HydrophobicContact CB-CG 4.17Å; D93-R108 PolarHBondContact N-O 2.99Å; D93-R108 IonicContact OD2-CZ 2.92Å; D93-R108 IonicContact OD2-NE 3.79Å; D93-R108 PolarHBondContact OD2-NE 3.03Å; D93-R108 IonicContact OD2-NH2 3.9Å; D93-R108 PolarHBondContact OD2-NH2 2.95Å
94	L	87.2	Confident	90.5	Very high	51 Å²	51	53.8 Å²	53.8	27%	0.267	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.9	179.3	-58.5	-177	0	0	0	112.9	L60 K69 L92 S96 C97	L60-L94 HydrophobicContact CD1-CB 4.3Å; L60-L94 HydrophobicContact CD1-CD1 3.75Å; L60-L94 HydrophobicContact CD1-CD2 3.78Å; L60-L94 HydrophobicContact CD1-CG 4.15Å; L60-L94 HydrophobicContact CD2-CD2 4.29Å; K69-L94 HydrophobicContact CB-CD1 4.03Å; K69-L94 HydrophobicContact CB-CD2 4.17Å; K69-L94 HydrophobicContact CB-CG 3.96Å; L92-L94 HydrophobicContact CB-CD2 4.43Å; L92-L94 PolarHBondContact O-N 3.46Å; L94-S96 PolarHBondContact O-N 3Å; L94-C97 PolarHBondContact O-N 2.77Å
95	D	87	Confident	90.4	Very high	92 Å²	92	53.7 Å²	53.7	49%	0.492	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-73.8	-16.7	172.3	-71.6	-18	0	0	0	112.8	K56 D93 C97	K56-D95 IonicContact NZ-OD1 2.68Å; K56-D95 PolarHBondContact NZ-OD1 2.93Å; D93-D95 PolarHBondContact O-N 3.17Å; D93-D95 WeakPolarHBondContact OD1-CB 3.49Å; D93-D95 PolarHBondContact OD1-N 2.9Å; D95-C97 VanDerWaalsContact C-N 3.35Å
96	S	89.4	Confident	90.2	Very high	18 Å²	18	54 Å²	54	13%	0.126	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-88	-2.7	173	86.6	0	0	0	0	114.2	D93 L94 S107 R108	D93-S96 VanDerWaalsContact O-CB 3.31Å; D93-S96 WeakPolarHBondContact O-CB 3.11Å; D93-S96 PolarHBondContact O-N 3.15Å; D93-S96 PolarHBondContact O-OG 3.19Å; D93-S96 PolarHBondContact OD2-N 3.38Å; L94-S96 PolarHBondContact O-N 3Å; S96-S107 WeakPolarHBondContact CB-OG 3.25Å; S96-S107 PolarHBondContact O-OG 3.37Å; S96-S107 PolarHBondContact OG-N 3.02Å; S96-R108 PolarHBondContact OG-N 2.04Å; S96-R108 PolarHBondContact OG-O 2.75Å
97	C	90.3	Very high	90	Very high	25 Å²	25	53.7 Å²	53.7	17%	0.169	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	141.2	-172.3	-58.4	0	0	0	0	112.8	L60 D93 L94 D95 R105 C106	L60-C97 HydrophobicContact CD2-CB 4.33Å; D93-C97 PolarHBondContact O-SG 2.73Å; L94-C97 PolarHBondContact O-N 2.77Å; D95-C97 VanDerWaalsContact C-N 3.35Å; C97-R105 CarbonylContact C-O 3.54Å; C97-R105 WeakPolarHBondContact CA-O 3.21Å; C97-R105 WeakPolarHBondContact CB-O 3.24Å; C97-C106 HydrophobicContact CB-CB 4.13Å; C97-C106 WeakPolarHBondContact CB-SG 3.38Å; C97-C106 WeakPolarHBondContact SG-CB 3.22Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 2.95Å
98	S	89.7	Confident	89.8	Confident	53 Å²	53	58.5 Å²	58.5	37%	0.371	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.5	172.9	67.5	0	0	0	0	111.1	L104 R105	S98-L104 WeakPolarHBondContact O-CA 3.09Å; S98-R105 PolarHBondContact N-O 2.93Å; S98-R105 PolarHBondContact O-N 3.32Å
99	K	86.3	Confident	89.5	Confident	77 Å²	77	52.5 Å²	52.5	34%	0.335	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.6	170.5	-167.3	-179.9	-176.4	176.1	0	109.1	L59 K61 I103 L104	L59-K99 HydrophobicContact CD2-CB 3.55Å; L59-K99 HydrophobicContact CD2-CD 3.95Å; L59-K99 HydrophobicContact CD2-CG 4.42Å; K61-K99 PolarHBondContact O-NZ 3.38Å; K99-I103 WeakPolarHBondContact CA-O 3.48Å; K99-L104 HydrophobicContact CB-CD2 3.71Å; K99-L104 HydrophobicContact CD-CD2 4.07Å; K99-L104 HydrophobicContact CG-CD2 3.76Å; K99-L104 HydrophobicContact CG-CG 4.25Å
100	E	86.3	Confident	89.3	Confident	101 Å²	101	56.6 Å²	56.6	47%	0.472	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.7	172	-74.6	164.1	-127.1	0	0	107.2	E102 I103 R105	E100-E102 PolarHBondContact O-N 3.35Å; E100-I103 PolarHBondContact N-O 2.94Å; E100-I103 WeakPolarHBondContact O-CB 3.32Å; E100-I103 PolarHBondContact O-N 3.01Å; E100-R105 IonicContact OE1-NH1 3.67Å; E100-R105 PolarHBondContact OE1-NH1 2.83Å; E100-R105 IonicContact OE2-CZ 3.17Å; E100-R105 IonicContact OE2-NH1 3.06Å; E100-R105 PolarHBondContact OE2-NH1 3.11Å; E100-R105 IonicContact OE2-NH2 2.99Å
101	E	84.9	Confident	89.2	Confident	165 Å²	165	61.7 Å²	61.7	77%	0.771	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-121.6	-173.6	-53.6	173.2	170.6	0	0	111.4	I103	E101-I103 VanDerWaalsContact C-N 3.31Å; E101-I103 PolarHBondContact O-N 3.24Å
102	E	85.8	Confident	89.1	Confident	99 Å²	99	63.5 Å²	63.5	46%	0.463	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	10	178.3	-63.9	-55.2	135.9	0	0	114	E100 K119 T120	E100-E102 PolarHBondContact O-N 3.35Å; E102-K119 WeakPolarHBondContact O-CA 3.41Å; E102-T120 WeakPolarHBondContact CB-O 3.44Å; E102-T120 PolarHBondContact O-N 2.95Å; E102-T120 VanDerWaalsContact OE2-CB 3.29Å; E102-T120 WeakPolarHBondContact OE2-CB 3.48Å; E102-T120 WeakPolarHBondContact OE2-CG2 3.15Å
103	I	90.9	Very high	89	Confident	25 Å²	25	71.1 Å²	71.1	13%	0.128	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.5	-175	-45.6	-177.1	0	0	0	110.4	K99 E100 E101 R105 F117 K119	K99-I103 WeakPolarHBondContact CA-O 3.48Å; E100-I103 PolarHBondContact N-O 2.94Å; E100-I103 WeakPolarHBondContact O-CB 3.32Å; E100-I103 PolarHBondContact O-N 3.01Å; E101-I103 VanDerWaalsContact C-N 3.31Å; E101-I103 PolarHBondContact O-N 3.24Å; I103-R105 HydrophobicContact CG2-CG 3.7Å; I103-F117 HydrophobicContact CG2-CB 4.11Å; I103-K119 HydrophobicContact CD1-CD 3.84Å; I103-K119 HydrophobicContact CD1-CG 4.49Å; I103-K119 HydrophobicContact CG1-CB 4.12Å; I103-K119 HydrophobicContact CG1-CD 3.73Å; I103-K119 HydrophobicContact CG1-CG 3.87Å; I103-K119 HydrophobicContact CG2-CB 4.43Å
104	L	92.2	Very high	89.1	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.1	163.1	-72.2	162.9	0	0	0	108.4	L60 L67 S98 K99 F117 I118	L60-L104 HydrophobicContact CD2-CD2 4.45Å; L67-L104 HydrophobicContact CB-CD1 4.41Å; L67-L104 HydrophobicContact CD2-CB 4.27Å; L67-L104 HydrophobicContact CD2-CD1 4.1Å; S98-L104 WeakPolarHBondContact O-CA 3.09Å; K99-L104 HydrophobicContact CB-CD2 3.71Å; K99-L104 HydrophobicContact CD-CD2 4.07Å; K99-L104 HydrophobicContact CG-CD2 3.76Å; K99-L104 HydrophobicContact CG-CG 4.25Å; L104-F117 CarbonylContact O-C 3.59Å; L104-F117 WeakPolarHBondContact O-CA 3.45Å; L104-F117 WeakPolarHBondContact O-CB 3.49Å; L104-I118 HydrophobicContact CB-CG2 3.74Å; L104-I118 HydrophobicContact CD1-CG2 4.08Å; L104-I118 PolarHBondContact N-O 2.99Å; L104-I118 PolarHBondContact O-N 2.8Å
105	R	94.3	Very high	89.4	Confident	89 Å²	89	72.4 Å²	72.4	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.5	176.4	-55.8	-163.5	-172.7	101.2	-0.1	110.5	C97 S98 E100 I103 F116 F117	C97-R105 CarbonylContact C-O 3.54Å; C97-R105 WeakPolarHBondContact CA-O 3.21Å; C97-R105 WeakPolarHBondContact CB-O 3.24Å; S98-R105 PolarHBondContact N-O 2.93Å; S98-R105 PolarHBondContact O-N 3.32Å; E100-R105 IonicContact OE1-NH1 3.67Å; E100-R105 PolarHBondContact OE1-NH1 2.83Å; E100-R105 IonicContact OE2-CZ 3.17Å; E100-R105 IonicContact OE2-NH1 3.06Å; E100-R105 PolarHBondContact OE2-NH1 3.11Å; E100-R105 IonicContact OE2-NH2 2.99Å; I103-R105 HydrophobicContact CG2-CG 3.7Å; R105-F116 CarbonylContact C-O 3.54Å; R105-F116 VanDerWaalsContact CA-O 3.29Å; R105-F116 WeakPolarHBondContact CA-O 3.35Å; R105-F117 HydrophobicContact CG-CB 4.06Å
106	C	93.5	Very high	89.8	Confident	6 Å²	6	68.2 Å²	68.2	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.8	170	-51.8	0	0	0	0	109.6	L92 C97 F116	L92-C106 HydrophobicContact CD2-CB 4.19Å; C97-C106 HydrophobicContact CB-CB 4.13Å; C97-C106 WeakPolarHBondContact CB-SG 3.38Å; C97-C106 WeakPolarHBondContact SG-CB 3.22Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 2.95Å; C106-F116 HydrophobicContact CB-CB 4.29Å; C106-F116 HydrophobicContact CB-CD1 4.05Å; C106-F116 PolarHBondContact N-O 3.39Å; C106-F116 PolarHBondContact O-N 3.26Å
107	S	92.8	Very high	90.1	Very high	69 Å²	69	70.1 Å²	70.1	48%	0.483	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-5.2	-170.1	55.7	0	0	0	0	115.2	S96 L114	S96-S107 WeakPolarHBondContact CB-OG 3.25Å; S96-S107 PolarHBondContact O-OG 3.37Å; S96-S107 PolarHBondContact OG-N 3.02Å; S107-L114 CarbonylContact C-O 3.51Å; S107-L114 VanDerWaalsContact C-O 3.28Å; S107-L114 WeakPolarHBondContact CA-O 3.27Å; S107-L114 PolarHBondContact O-N 3.01Å; S107-L114 VanDerWaalsContact O-N 3.08Å
108	R	91.1	Very high	90.3	Very high	116 Å²	116	69 Å²	69	44%	0.438	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	155.4	174.9	49.5	173.2	-170.1	-142.8	-3.7	112.3	D93 S96 R112 L114	D93-R108 HydrophobicContact CB-CG 4.17Å; D93-R108 PolarHBondContact N-O 2.99Å; D93-R108 IonicContact OD2-CZ 2.92Å; D93-R108 IonicContact OD2-NE 3.79Å; D93-R108 PolarHBondContact OD2-NE 3.03Å; D93-R108 IonicContact OD2-NH2 3.9Å; D93-R108 PolarHBondContact OD2-NH2 2.95Å; S96-R108 PolarHBondContact OG-N 2.04Å; S96-R108 PolarHBondContact OG-O 2.75Å; R108-R112 CarbonylContact C-O 3.53Å; R108-R112 WeakPolarHBondContact CA-O 3.34Å; R108-R112 WeakPolarHBondContact CB-O 3.38Å; R108-L114 VanDerWaalsContact C-CD2 3.47Å
109	T	88.6	Confident	90.5	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.018	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-83.4	-177.9	157.4	52.8	0	0	0	0	108.8	T91 D111 R112 L114 W134	T91-T109 CarbonylContact O-C 3.28Å; T91-T109 WeakPolarHBondContact O-CA 3.47Å; T91-T109 WeakPolarHBondContact O-CB 3.09Å; T91-T109 VanDerWaalsContact O-CG2 3.3Å; T91-T109 WeakPolarHBondContact O-CG2 3.29Å; T109-D111 PolarHBondContact O-N 2.89Å; T109-D111 PolarHBondContact OG1-N 2.85Å; T109-R112 PolarHBondContact N-O 3.12Å; T109-R112 PolarHBondContact OG1-N 2.96Å; T109-R112 PolarHBondContact OG1-O 2.8Å; T109-L114 HydrophobicContact CG2-CD2 3.23Å; T109-W134 HydrophobicContact CG2-CH2 3.96Å; T109-W134 HydrophobicContact CG2-CZ2 3.75Å
110	T	84.1	Confident	90.8	Very high	99 Å²	99	66.6 Å²	66.6	61%	0.607	31%	0.314	S	S	*	.	S	Bend	trans	-49.2	-37.2	165.8	-39.4	0	0	0	0	112.7	T91	T91-T110 PolarHBondContact O-N 3.3Å; T91-T110 VanDerWaalsContact O-N 3.07Å
111	D	85	Confident	91	Very high	127 Å²	127	63.2 Å²	63.2	68%	0.679	30%	0.3	S	S	*	.	S	Bend	trans	-117.9	-18.3	-165.1	-43.6	-53.3	0	0	0	115	T109	T109-D111 PolarHBondContact O-N 2.89Å; T109-D111 PolarHBondContact OG1-N 2.85Å
112	R	89.1	Confident	91	Very high	77 Å²	77	61 Å²	61	29%	0.291	29%	0.29	S	S	.	.	S	Bend	trans	-141.3	155.3	-172	-66.6	-166.7	-69.9	-81.3	-0.6	112.7	S89 R108 T109 E136	S89-R112 PolarHBondContact O-NH2 2.96Å; R108-R112 CarbonylContact C-O 3.53Å; R108-R112 WeakPolarHBondContact CA-O 3.34Å; R108-R112 WeakPolarHBondContact CB-O 3.38Å; T109-R112 PolarHBondContact N-O 3.12Å; T109-R112 PolarHBondContact OG1-N 2.96Å; T109-R112 PolarHBondContact OG1-O 2.8Å; R112-E136 IonicContact CZ-OE2 2.7Å; R112-E136 IonicContact NE-OE2 2.83Å; R112-E136 PolarHBondContact NE-OE2 2.88Å; R112-E136 IonicContact NH2-OE2 3.67Å
113	K	89	Confident	90.6	Very high	162 Å²	162	58.8 Å²	58.8	70%	0.704	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	142.9	166.8	-67.9	-177.5	178.4	178.7	0	110.1	L137	K113-L137 HydrophobicContact CB-CD1 4.11Å
114	L	92.9	Very high	89.8	Confident	3 Å²	3	64 Å²	64	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	174.6	177.1	65.6	109.8	0	0	0	110.6	L92 S107 R108 T109 F116 W134 E135	L92-L114 HydrophobicContact CD2-CD1 4.19Å; L92-L114 HydrophobicContact CD2-CD2 4.42Å; S107-L114 CarbonylContact C-O 3.51Å; S107-L114 VanDerWaalsContact C-O 3.28Å; S107-L114 WeakPolarHBondContact CA-O 3.27Å; S107-L114 PolarHBondContact O-N 3.01Å; S107-L114 VanDerWaalsContact O-N 3.08Å; R108-L114 VanDerWaalsContact C-CD2 3.47Å; T109-L114 HydrophobicContact CG2-CD2 3.23Å; L114-F116 HydrophobicContact CD1-CB 3.35Å; L114-W134 HydrophobicContact CD1-CD2 4.32Å; L114-W134 HydrophobicContact CD1-CZ2 4.35Å; L114-W134 HydrophobicContact CD2-CH2 4.47Å; L114-W134 HydrophobicContact CD2-CZ2 3.88Å; L114-E135 WeakPolarHBondContact CB-O 3.31Å
115	K	93.9	Very high	89	Confident	109 Å²	109	70.7 Å²	70.7	47%	0.474	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	107.3	164.8	-51.9	174.4	-164.7	142.8	0	109.3	E135 L137	K115-E135 HydrophobicContact CB-CB 4.19Å; K115-E135 WeakPolarHBondContact CE-OE1 3.37Å; K115-E135 PolarHBondContact N-O 2.04Å; K115-E135 IonicContact NZ-OE1 3.14Å; K115-E135 PolarHBondContact NZ-OE1 3.2Å; K115-E135 IonicContact NZ-OE2 3.36Å; K115-E135 PolarHBondContact O-N 3.44Å; K115-L137 HydrophobicContact CD-CD2 4.44Å; K115-L137 HydrophobicContact CG-CD1 4.49Å; K115-L137 HydrophobicContact CG-CD2 4.33Å
116	F	95.8	Very high	88.4	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.8	175.6	171	-95.3	0	0	0	109.5	L67 F87 L92 R105 C106 L114 I118 V132 R133 W134	L67-F116 HydrophobicContact CD1-CE1 4.2Å; L67-F116 HydrophobicContact CD1-CZ 4.03Å; L67-F116 HydrophobicContact CD2-CE1 3.92Å; F87-F116 HydrophobicContact CE1-CE2 4.1Å; F87-F116 AromaticContact CZ-CE2 3.76Å; F87-F116 HydrophobicContact CZ-CE2 3.76Å; F87-F116 AromaticContact CZ-CZ 3.85Å; F87-F116 HydrophobicContact CZ-CZ 3.85Å; L92-F116 HydrophobicContact CD1-CD1 3.97Å; L92-F116 HydrophobicContact CD1-CE1 3.93Å; L92-F116 HydrophobicContact CD1-CG 4.36Å; L92-F116 HydrophobicContact CD1-CZ 4.28Å; L92-F116 HydrophobicContact CD2-CB 4.21Å; L92-F116 HydrophobicContact CD2-CD1 4.45Å; L92-F116 HydrophobicContact CD2-CG 4.22Å; R105-F116 CarbonylContact C-O 3.54Å; R105-F116 VanDerWaalsContact CA-O 3.29Å; R105-F116 WeakPolarHBondContact CA-O 3.35Å; C106-F116 HydrophobicContact CB-CB 4.29Å; C106-F116 HydrophobicContact CB-CD1 4.05Å; C106-F116 PolarHBondContact N-O 3.39Å; C106-F116 PolarHBondContact O-N 3.26Å; L114-F116 HydrophobicContact CD1-CB 3.35Å; F116-I118 HydrophobicContact CE1-CB 4.41Å; F116-I118 HydrophobicContact CE1-CG2 4.05Å; F116-I118 HydrophobicContact CZ-CB 4.09Å; F116-I118 HydrophobicContact CZ-CG2 4.07Å; F116-V132 HydrophobicContact CE2-CG1 3.85Å; F116-R133 VanDerWaalsContact CA-O 3.32Å; F116-R133 WeakPolarHBondContact CA-O 3.32Å; F116-W134 HydrophobicContact CD2-CB 4.32Å; F116-W134 HydrophobicContact CD2-CD2 4.35Å; F116-W134 AromaticContact CD2-CE3 3.65Å; F116-W134 HydrophobicContact CD2-CE3 3.65Å; F116-W134 HydrophobicContact CD2-CZ3 4.36Å; F116-W134 HydrophobicContact CE2-CE3 4.2Å; F116-W134 HydrophobicContact CG-CE3 4.46Å
117	F	95.1	Very high	88.3	Confident	59 Å²	59	70.4 Å²	70.4	26%	0.259	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.6	157.5	70.7	-105.5	0	0	0	112.3	I103 L104 R105 K119 V132 R133	I103-F117 HydrophobicContact CG2-CB 4.11Å; L104-F117 CarbonylContact O-C 3.59Å; L104-F117 WeakPolarHBondContact O-CA 3.45Å; L104-F117 WeakPolarHBondContact O-CB 3.49Å; R105-F117 HydrophobicContact CG-CB 4.06Å; F117-K119 HydrophobicContact CD2-CB 4.26Å; F117-K119 HydrophobicContact CE2-CB 4.42Å; F117-V132 WeakPolarHBondContact O-CA 3.44Å; F117-R133 HydrophobicContact CD1-CB 3.95Å; F117-R133 HydrophobicContact CD2-CB 4.44Å; F117-R133 HydrophobicContact CE1-CB 3.57Å; F117-R133 VanDerWaalsContact CE1-CD 3.41Å; F117-R133 HydrophobicContact CE1-CG 4.12Å; F117-R133 HydrophobicContact CE2-CB 4.07Å; F117-R133 HydrophobicContact CG-CB 4.38Å; F117-R133 HydrophobicContact CZ-CB 3.61Å; F117-R133 HydrophobicContact CZ-CG 4.44Å; F117-R133 PolarHBondContact N-O 2.72Å; F117-R133 PolarHBondContact O-N 2.65Å
118	I	95.3	Very high	88.3	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.5	159.3	-176.1	161.3	0	0	0	108.1	L65 L67 Y72 L104 F116 R131 V132	L65-I118 HydrophobicContact CD1-CD1 3.72Å; L65-I118 HydrophobicContact CD2-CD1 3.53Å; L65-I118 HydrophobicContact CD2-CG1 3.85Å; L65-I118 HydrophobicContact CD2-CG2 4.23Å; L65-I118 HydrophobicContact CG-CD1 4.29Å; L67-I118 HydrophobicContact CD2-CG2 4.11Å; Y72-I118 HydrophobicContact CD1-CD1 4.41Å; Y72-I118 HydrophobicContact CD2-CD1 4.1Å; Y72-I118 HydrophobicContact CE1-CD1 4.46Å; Y72-I118 HydrophobicContact CE2-CD1 4.15Å; Y72-I118 HydrophobicContact CG-CD1 4.24Å; L104-I118 HydrophobicContact CB-CG2 3.74Å; L104-I118 HydrophobicContact CD1-CG2 4.08Å; L104-I118 PolarHBondContact N-O 2.99Å; L104-I118 PolarHBondContact O-N 2.8Å; F116-I118 HydrophobicContact CE1-CB 4.41Å; F116-I118 HydrophobicContact CE1-CG2 4.05Å; F116-I118 HydrophobicContact CZ-CB 4.09Å; F116-I118 HydrophobicContact CZ-CG2 4.07Å; I118-R131 CarbonylContact C-O 3.59Å; I118-R131 WeakPolarHBondContact CA-O 3.31Å; I118-V132 HydrophobicContact CB-CG2 4.41Å; I118-V132 HydrophobicContact CD1-CG2 3.74Å; I118-V132 HydrophobicContact CG1-CG2 3.92Å
119	K	94.4	Very high	88.5	Confident	68 Å²	68	62.9 Å²	62.9	30%	0.296	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.5	176.6	175.2	166.4	-169.8	153.1	0	110.2	E102 I103 F117 V121 Y130 R131	E102-K119 WeakPolarHBondContact O-CA 3.41Å; I103-K119 HydrophobicContact CD1-CD 3.84Å; I103-K119 HydrophobicContact CD1-CG 4.49Å; I103-K119 HydrophobicContact CG1-CB 4.12Å; I103-K119 HydrophobicContact CG1-CD 3.73Å; I103-K119 HydrophobicContact CG1-CG 3.87Å; I103-K119 HydrophobicContact CG2-CB 4.43Å; F117-K119 HydrophobicContact CD2-CB 4.26Å; F117-K119 HydrophobicContact CE2-CB 4.42Å; K119-V121 HydrophobicContact CD-CG2 4.3Å; K119-V121 HydrophobicContact CG-CG2 3.94Å; K119-Y130 WeakPolarHBondContact O-CA 3.37Å; K119-R131 HydrophobicContact CB-CB 4.43Å; K119-R131 PolarHBondContact N-O 2.71Å; K119-R131 PolarHBondContact O-N 3.06Å
120	T	92	Very high	88.9	Confident	11 Å²	11	63 Å²	63	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.9	168.5	-60.5	0	0	0	0	109.6	E102 C129 Y130	E102-T120 WeakPolarHBondContact CB-O 3.44Å; E102-T120 PolarHBondContact O-N 2.95Å; E102-T120 VanDerWaalsContact OE2-CB 3.29Å; E102-T120 WeakPolarHBondContact OE2-CB 3.48Å; E102-T120 WeakPolarHBondContact OE2-CG2 3.15Å; T120-C129 CarbonylContact C-O 3.59Å; T120-Y130 HydrophobicContact CG2-CE1 4.19Å
121	V	90.3	Very high	89.5	Confident	30 Å²	30	62.6 Å²	62.6	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	117.9	179.6	-173.7	0	0	0	0	108.2	K119 P123 Q128 C129 R131	K119-V121 HydrophobicContact CD-CG2 4.3Å; K119-V121 HydrophobicContact CG-CG2 3.94Å; V121-P123 VanDerWaalsContact C-CD 3.48Å; V121-P123 WeakPolarHBondContact O-CD 3.24Å; V121-Q128 PolarHBondContact O-NE2 2.71Å; V121-C129 HydrophobicContact CB-CB 4.35Å; V121-C129 PolarHBondContact N-O 3.27Å; V121-C129 WeakPolarHBondContact O-CA 3.08Å; V121-C129 PolarHBondContact O-N 3.31Å; V121-R131 HydrophobicContact CG2-CG 4.16Å
122	Q	84.7	Confident	90.1	Very high	118 Å²	118	56.6 Å²	56.6	55%	0.551	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	87.8	172.3	-166.2	169.4	10.1	0	0	109.1	K124 Q128	Q122-K124 VanDerWaalsContact C-N 3.28Å; Q122-K124 WeakPolarHBondContact CG-O 3.07Å; Q122-K124 PolarHBondContact O-N 2.68Å; Q122-Q128 VanDerWaalsContact CG-OE1 3.29Å
123	P	76.8	Confident	90.5	Very high	53 Å²	53	56.6 Å²	56.6	34%	0.344	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-22.6	-179	30	-40.8	0	0	0	114	V121 V127 Y264	V121-P123 VanDerWaalsContact C-CD 3.48Å; V121-P123 WeakPolarHBondContact O-CD 3.24Å; P123-V127 VanDerWaalsContact CD-O 3.25Å; P123-V127 WeakPolarHBondContact CD-O 3.34Å; P123-V127 HydrophobicContact CG-CB 4.23Å; P123-V127 HydrophobicContact CG-CG1 4.1Å; P123-Y264 HydrophobicContact CB-CE2 3.98Å; P123-Y264 HydrophobicContact CG-CE2 3.77Å; P123-Y264 WeakPolarHBondContact CG-OH 3.41Å
124	K	75.8	Confident	90.9	Very high	135 Å²	135	48.9 Å²	48.9	59%	0.587	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.9	177.9	-69.9	-167.1	173.7	-168.6	0	108	Q122 T126 V127	Q122-K124 VanDerWaalsContact C-N 3.28Å; Q122-K124 WeakPolarHBondContact CG-O 3.07Å; Q122-K124 PolarHBondContact O-N 2.68Å; K124-T126 PolarHBondContact O-N 2.93Å; K124-T126 VanDerWaalsContact O-N 3.12Å; K124-V127 PolarHBondContact O-N 2.93Å; K124-V127 VanDerWaalsContact O-N 3.12Å
125	D	73.8	Confident	91	Very high	145 Å²	145	50 Å²	50	78%	0.775	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.4	179.9	-51.4	-38.7	0	0	0	113.1
126	T	83	Confident	91	Very high	84 Å²	84	44.9 Å²	44.9	52%	0.515	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.1	-178.4	57.6	0	0	0	0	115.3	K124	K124-T126 PolarHBondContact O-N 2.93Å; K124-T126 VanDerWaalsContact O-N 3.12Å
127	V	91.2	Very high	90.9	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	124.4	-177.3	179.6	0	0	0	0	110.7	P123 K124 C253 V254 I261 Y264	P123-V127 VanDerWaalsContact CD-O 3.25Å; P123-V127 WeakPolarHBondContact CD-O 3.34Å; P123-V127 HydrophobicContact CG-CB 4.23Å; P123-V127 HydrophobicContact CG-CG1 4.1Å; K124-V127 PolarHBondContact O-N 2.93Å; K124-V127 VanDerWaalsContact O-N 3.12Å; V127-C253 HydrophobicContact CG1-CB 4.46Å; V127-V254 WeakPolarHBondContact CA-O 3.42Å; V127-I261 HydrophobicContact CG1-CD1 3.88Å; V127-Y264 HydrophobicContact CG1-CD1 3.74Å; V127-Y264 HydrophobicContact CG1-CD2 4.41Å; V127-Y264 HydrophobicContact CG1-CE1 3.83Å; V127-Y264 HydrophobicContact CG1-CE2 4.5Å; V127-Y264 HydrophobicContact CG1-CG 4.05Å; V127-Y264 HydrophobicContact CG2-CD2 4.34Å; V127-Y264 HydrophobicContact CG2-CG 4.07Å
128	Q	93.1	Very high	90.7	Very high	27 Å²	27	48 Å²	48	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125	174.2	-162.8	63.7	41.5	0	0	110.4	V121 Q122 Y130 C253 V254	V121-Q128 PolarHBondContact O-NE2 2.71Å; Q122-Q128 VanDerWaalsContact CG-OE1 3.29Å; Q128-Y130 HydrophobicContact CB-CE2 4.43Å; Q128-Y130 HydrophobicContact CG-CE1 4.37Å; Q128-Y130 HydrophobicContact CG-CE2 3.94Å; Q128-Y130 WeakPolarHBondContact CG-OH 3.45Å; Q128-C253 CarbonylContact O-C 3.58Å; Q128-C253 VanDerWaalsContact O-CA 3.24Å; Q128-C253 WeakPolarHBondContact O-CA 3.27Å; Q128-V254 PolarHBondContact N-O 3.08Å; Q128-V254 PolarHBondContact O-N 2.89Å
129	C	95.1	Very high	90.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.9	178.3	-72.8	0	0	0	0	112.3	T120 V121 V252 C253	T120-C129 CarbonylContact C-O 3.59Å; V121-C129 HydrophobicContact CB-CB 4.35Å; V121-C129 PolarHBondContact N-O 3.27Å; V121-C129 WeakPolarHBondContact O-CA 3.08Å; V121-C129 PolarHBondContact O-N 3.31Å; C129-V252 CarbonylContact C-O 3.47Å; C129-V252 WeakPolarHBondContact CA-O 3.36Å; C129-C253 HydrophobicContact CB-CB 4.13Å; C129-C253 WeakPolarHBondContact CB-SG 3.43Å; C129-C253 WeakPolarHBondContact SG-CB 3.35Å; C129-C253 CovalentContact SG-SG 2.04Å; C129-C253 PolarHBondContact SG-SG 3.43Å
130	Y	96.3	Very high	90.4	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.6	177.2	-54	-84.2	0	0	0	108.4	L64 L65 I74 K119 T120 Q128 R251 V252	L64-Y130 VanDerWaalsContact CB-OH 3.32Å; L64-Y130 WeakPolarHBondContact CB-OH 3.48Å; L65-Y130 HydrophobicContact CB-CD1 4.13Å; L65-Y130 HydrophobicContact CB-CE1 3.52Å; L65-Y130 HydrophobicContact CD2-CD1 3.73Å; L65-Y130 HydrophobicContact CD2-CE1 3.92Å; L65-Y130 HydrophobicContact CG-CD1 4.39Å; L65-Y130 HydrophobicContact CG-CE1 4.26Å; I74-Y130 HydrophobicContact CB-CE2 4.42Å; I74-Y130 HydrophobicContact CD1-CD2 3.37Å; I74-Y130 HydrophobicContact CD1-CE2 3.67Å; I74-Y130 HydrophobicContact CD1-CG 4.04Å; I74-Y130 HydrophobicContact CG1-CD2 4.01Å; I74-Y130 HydrophobicContact CG1-CE2 3.92Å; I74-Y130 HydrophobicContact CG2-CD2 4.44Å; I74-Y130 HydrophobicContact CG2-CE2 3.59Å; K119-Y130 WeakPolarHBondContact O-CA 3.37Å; T120-Y130 HydrophobicContact CG2-CE1 4.19Å; Q128-Y130 HydrophobicContact CB-CE2 4.43Å; Q128-Y130 HydrophobicContact CG-CE1 4.37Å; Q128-Y130 HydrophobicContact CG-CE2 3.94Å; Q128-Y130 WeakPolarHBondContact CG-OH 3.45Å; Y130-R251 CarbonylContact O-C 3.6Å; Y130-R251 VanDerWaalsContact O-CA 3.26Å; Y130-R251 WeakPolarHBondContact O-CA 3.26Å; Y130-V252 PolarHBondContact N-O 3.35Å; Y130-V252 PolarHBondContact O-N 3.19Å
131	R	96.8	Very high	90.5	Very high	91 Å²	91	53 Å²	53	34%	0.343	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.7	176.6	-56.9	-175.9	177.5	177.3	4.4	108.3	I118 K119 V121 R251	I118-R131 CarbonylContact C-O 3.59Å; I118-R131 WeakPolarHBondContact CA-O 3.31Å; K119-R131 HydrophobicContact CB-CB 4.43Å; K119-R131 PolarHBondContact N-O 2.71Å; K119-R131 PolarHBondContact O-N 3.06Å; V121-R131 HydrophobicContact CG2-CG 4.16Å; R131-R251 HydrophobicContact CG-CG 4.1Å
132	V	97.3	Very high	90.7	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.4	-179.5	-170.9	0	0	0	0	109.3	Y72 F116 F117 I118 S249 Y250	Y72-V132 HydrophobicContact CE1-CG2 4.18Å; F116-V132 HydrophobicContact CE2-CG1 3.85Å; F117-V132 WeakPolarHBondContact O-CA 3.44Å; I118-V132 HydrophobicContact CB-CG2 4.41Å; I118-V132 HydrophobicContact CD1-CG2 3.74Å; I118-V132 HydrophobicContact CG1-CG2 3.92Å; V132-S249 WeakPolarHBondContact O-CA 3.12Å; V132-Y250 HydrophobicContact CB-CD1 4.22Å; V132-Y250 HydrophobicContact CB-CE1 3.71Å; V132-Y250 HydrophobicContact CB-CE2 4.12Å; V132-Y250 HydrophobicContact CG1-CE1 3.77Å; V132-Y250 HydrophobicContact CG2-CE2 4.09Å; V132-Y250 PolarHBondContact N-O 2.67Å; V132-Y250 PolarHBondContact O-N 2.8Å
133	R	97.6	Very high	91.3	Very high	77 Å²	77	48 Å²	48	29%	0.291	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130	169.5	-173	-176.1	-174.7	-161.2	-8.4	108.7	F116 F117 E135 E247 L248	F116-R133 VanDerWaalsContact CA-O 3.32Å; F116-R133 WeakPolarHBondContact CA-O 3.32Å; F117-R133 HydrophobicContact CD1-CB 3.95Å; F117-R133 HydrophobicContact CD2-CB 4.44Å; F117-R133 HydrophobicContact CE1-CB 3.57Å; F117-R133 VanDerWaalsContact CE1-CD 3.41Å; F117-R133 HydrophobicContact CE1-CG 4.12Å; F117-R133 HydrophobicContact CE2-CB 4.07Å; F117-R133 HydrophobicContact CG-CB 4.38Å; F117-R133 HydrophobicContact CZ-CB 3.61Å; F117-R133 HydrophobicContact CZ-CG 4.44Å; F117-R133 PolarHBondContact N-O 2.72Å; F117-R133 PolarHBondContact O-N 2.65Å; R133-E135 IonicContact CZ-OE2 3.87Å; R133-E135 VanDerWaalsContact CZ-OE2 3.22Å; R133-E135 IonicContact NE-OE2 2.65Å; R133-E135 IonicContact NH1-OE2 2.66Å; R133-E135 IonicContact NH2-OE2 2.7Å; R133-E135 PolarHBondContact NH2-OE2 2.99Å; R133-E247 HydrophobicContact CG-CG 3.99Å; R133-E247 IonicContact CZ-OE1 3.27Å; R133-E247 IonicContact CZ-OE2 3.12Å; R133-E247 IonicContact NE-OE1 3.03Å; R133-E247 PolarHBondContact NE-OE1 2.71Å; R133-E247 VanDerWaalsContact NE-OE1 3.12Å; R133-E247 IonicContact NE-OE2 3.81Å; R133-E247 PolarHBondContact NE-OE2 3.35Å; R133-E247 IonicContact NH2-OE2 2.8Å; R133-E247 PolarHBondContact NH2-OE2 3.32Å; R133-L248 WeakPolarHBondContact CA-O 3.37Å
134	W	97	Very high	92.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111.9	167.8	-175.4	-54.3	0	0	0	107.7	F87 G90 L92 T109 L114 F116 V143 H145 E247 L248	F87-W134 HydrophobicContact CB-CH2 4.21Å; F87-W134 HydrophobicContact CB-CZ3 3.9Å; F87-W134 HydrophobicContact CD1-CE3 4.13Å; F87-W134 AromaticContact CD1-CZ3 3.9Å; F87-W134 HydrophobicContact CD1-CZ3 3.9Å; F87-W134 HydrophobicContact CD2-CH2 4.42Å; F87-W134 AromaticContact CD2-CZ3 3.67Å; F87-W134 HydrophobicContact CD2-CZ3 3.67Å; F87-W134 HydrophobicContact CE1-CE3 4.36Å; F87-W134 HydrophobicContact CE1-CZ3 4.32Å; F87-W134 HydrophobicContact CE2-CZ3 4.14Å; F87-W134 HydrophobicContact CG-CE3 4.24Å; F87-W134 HydrophobicContact CG-CH2 4.31Å; F87-W134 AromaticContact CG-CZ3 3.54Å; F87-W134 HydrophobicContact CG-CZ3 3.54Å; F87-W134 HydrophobicContact CZ-CZ3 4.43Å; G90-W134 WeakPolarHBondContact O-CH2 3.07Å; L92-W134 HydrophobicContact CD2-CE3 4.35Å; L92-W134 HydrophobicContact CD2-CH2 3.65Å; L92-W134 HydrophobicContact CD2-CZ3 3.55Å; L92-W134 HydrophobicContact CG-CH2 4.17Å; L92-W134 HydrophobicContact CG-CZ3 3.94Å; T109-W134 HydrophobicContact CG2-CH2 3.96Å; T109-W134 HydrophobicContact CG2-CZ2 3.75Å; L114-W134 HydrophobicContact CD1-CD2 4.32Å; L114-W134 HydrophobicContact CD1-CZ2 4.35Å; L114-W134 HydrophobicContact CD2-CH2 4.47Å; L114-W134 HydrophobicContact CD2-CZ2 3.88Å; F116-W134 HydrophobicContact CD2-CB 4.32Å; F116-W134 HydrophobicContact CD2-CD2 4.35Å; F116-W134 AromaticContact CD2-CE3 3.65Å; F116-W134 HydrophobicContact CD2-CE3 3.65Å; F116-W134 HydrophobicContact CD2-CZ3 4.36Å; F116-W134 HydrophobicContact CE2-CE3 4.2Å; F116-W134 HydrophobicContact CG-CE3 4.46Å; W134-V143 HydrophobicContact CB-CG1 3.79Å; W134-V143 HydrophobicContact CD2-CG1 4.35Å; W134-V143 HydrophobicContact CG-CG1 3.57Å; W134-H145 AromaticContact CD2-NE2 3.9Å; W134-H145 AromaticContact CE3-NE2 3.58Å; W134-E247 WeakPolarHBondContact O-CA 3.49Å; W134-L248 PolarHBondContact N-O 3.29Å; W134-L248 PolarHBondContact O-N 2.84Å
135	E	95.6	Very high	93.4	Very high	28 Å²	28	40.2 Å²	40.2	13%	0.131	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113	177	-175.3	-169.1	135.5	0	0	108.3	L114 K115 R133 L137	L114-E135 WeakPolarHBondContact CB-O 3.31Å; K115-E135 HydrophobicContact CB-CB 4.19Å; K115-E135 WeakPolarHBondContact CE-OE1 3.37Å; K115-E135 PolarHBondContact N-O 2.04Å; K115-E135 IonicContact NZ-OE1 3.14Å; K115-E135 PolarHBondContact NZ-OE1 3.2Å; K115-E135 IonicContact NZ-OE2 3.36Å; K115-E135 PolarHBondContact O-N 3.44Å; R133-E135 IonicContact CZ-OE2 3.87Å; R133-E135 VanDerWaalsContact CZ-OE2 3.22Å; R133-E135 IonicContact NE-OE2 2.65Å; R133-E135 IonicContact NH1-OE2 2.66Å; R133-E135 IonicContact NH2-OE2 2.7Å; R133-E135 PolarHBondContact NH2-OE2 2.99Å; E135-L137 HydrophobicContact CG-CD2 4.45Å
136	E	93.9	Very high	94.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.3	171.2	176.5	54.9	-88.1	0	0	108.8	R112 V138 I141 V143 C245 A246	R112-E136 IonicContact CZ-OE2 2.7Å; R112-E136 IonicContact NE-OE2 2.83Å; R112-E136 PolarHBondContact NE-OE2 2.88Å; R112-E136 IonicContact NH2-OE2 3.67Å; E136-V138 PolarHBondContact OE1-N 3.07Å; E136-V138 VanDerWaalsContact OE1-N 3.1Å; E136-I141 HydrophobicContact CG-CB 3.77Å; E136-I141 HydrophobicContact CG-CG2 3.86Å; E136-V143 HydrophobicContact CB-CG2 3.64Å; E136-C245 WeakPolarHBondContact O-CB 3Å; E136-A246 PolarHBondContact N-O 3.34Å
137	L	92.8	Very high	95.2	Very high	66 Å²	66	29.7 Å²	29.7	35%	0.346	15%	0.152	S	C	.	.			trans	-101.8	-11.9	-174.7	-60.8	177.8	0	0	0	112.5	K113 K115 E135	K113-L137 HydrophobicContact CB-CD1 4.11Å; K115-L137 HydrophobicContact CD-CD2 4.44Å; K115-L137 HydrophobicContact CG-CD1 4.49Å; K115-L137 HydrophobicContact CG-CD2 4.33Å; E135-L137 HydrophobicContact CG-CD2 4.45Å
138	V	91.6	Very high	95.5	Very high	63 Å²	63	30.6 Å²	30.6	38%	0.382	16%	0.157	S	C	.	.	S	Bend	trans	-89.2	125.1	172.8	-174.4	0	0	0	0	109.9	E136 I141	E136-V138 PolarHBondContact OE1-N 3.07Å; E136-V138 VanDerWaalsContact OE1-N 3.1Å; V138-I141 HydrophobicContact CB-CD1 3.75Å; V138-I141 HydrophobicContact CB-CG1 4.11Å; V138-I141 HydrophobicContact CG1-CD1 3.69Å; V138-I141 HydrophobicContact CG1-CG1 3.95Å; V138-I141 HydrophobicContact CG2-CD1 4.35Å
139	P	92.8	Very high	95.5	Very high	59 Å²	59	30.5 Å²	30.5	38%	0.383	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	146.5	178.3	-25.3	34.3	0	0	0	113.1	I141 A243 P244	P139-I141 PolarHBondContact O-N 2.7Å; P139-A243 HydrophobicContact CG-CB 4.12Å; P139-P244 HydrophobicContact CB-CG 4.1Å
140	N	91.8	Very high	95.1	Very high	80 Å²	80	37.7 Å²	37.7	43%	0.428	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-3	176.4	-56.1	-53.3	0	0	0	117.1	H232 P244	N140-H232 HydrophobicContact CB-CB 4.25Å; N140-P244 PolarHBondContact N-O 2.65Å; N140-P244 VanDerWaalsContact OD1-CG 3.26Å; N140-P244 WeakPolarHBondContact OD1-CG 3.16Å
141	I	92.8	Very high	94.4	Very high	46 Å²	46	42.1 Å²	42.1	24%	0.236	21%	0.206	C	C	.	.			trans	-75.1	125.1	168.8	-63.1	-168.7	0	0	0	108.8	E136 V138 P139 A246	E136-I141 HydrophobicContact CG-CB 3.77Å; E136-I141 HydrophobicContact CG-CG2 3.86Å; V138-I141 HydrophobicContact CB-CD1 3.75Å; V138-I141 HydrophobicContact CB-CG1 4.11Å; V138-I141 HydrophobicContact CG1-CD1 3.69Å; V138-I141 HydrophobicContact CG1-CG1 3.95Å; V138-I141 HydrophobicContact CG2-CD1 4.35Å; P139-I141 PolarHBondContact O-N 2.7Å; I141-A246 WeakPolarHBondContact O-CB 3.26Å
142	P	95.9	Very high	94.2	Very high	43 Å²	43	38.6 Å²	38.6	28%	0.279	20%	0.197	S	C	.	.			trans	-74.2	148.8	176.9	30	-34	0	0	0	111.8	S89 Q228 A229 R230	S89-P142 PolarHBondContact OG-O 2.65Å; P142-Q228 HydrophobicContact CB-CG 3.99Å; P142-A229 WeakPolarHBondContact CA-O 3.18Å; P142-R230 HydrophobicContact CB-CB 4.15Å; P142-R230 HydrophobicContact CB-CG 4.06Å
143	V	97.2	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.1	168.7	-178.4	0	0	0	0	108.9	S89 W134 E136 Q228 A229 A246 L248	S89-V143 VanDerWaalsContact OG-CA 3.26Å; S89-V143 WeakPolarHBondContact OG-CA 3.16Å; W134-V143 HydrophobicContact CB-CG1 3.79Å; W134-V143 HydrophobicContact CD2-CG1 4.35Å; W134-V143 HydrophobicContact CG-CG1 3.57Å; E136-V143 HydrophobicContact CB-CG2 3.64Å; V143-Q228 CarbonylContact O-C 3.56Å; V143-Q228 VanDerWaalsContact O-CA 3.29Å; V143-Q228 WeakPolarHBondContact O-CA 3.47Å; V143-A229 HydrophobicContact CB-CB 4.35Å; V143-A229 PolarHBondContact N-O 2.89Å; V143-A229 PolarHBondContact O-N 2.76Å; V143-A246 HydrophobicContact CG2-CB 4.04Å; V143-A246 WeakPolarHBondContact CG2-O 3.24Å; V143-L248 HydrophobicContact CB-CB 3.93Å; V143-L248 HydrophobicContact CG1-CB 3.48Å; V143-L248 VanDerWaalsContact CG1-CB 3.48Å; V143-L248 HydrophobicContact CG1-CD2 4.17Å; V143-L248 HydrophobicContact CG1-CG 4.47Å
144	E	97.8	Very high	94.2	Very high	24 Å²	24	37.9 Å²	37.9	11%	0.112	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.7	-177	-175.1	173.7	95.9	0	0	111.2	R88 S89 F227 Q228	R88-E144 WeakPolarHBondContact CA-O 3.34Å; R88-E144 HydrophobicContact CB-CB 4.16Å; R88-E144 HydrophobicContact CB-CG 4.02Å; R88-E144 WeakPolarHBondContact CD-OE1 3.2Å; R88-E144 IonicContact CZ-OE1 3.95Å; R88-E144 PolarHBondContact N-O 2.83Å; R88-E144 IonicContact NE-OE1 2.88Å; R88-E144 PolarHBondContact NE-OE1 3.03Å; R88-E144 IonicContact NH2-OE1 2.74Å; R88-E144 PolarHBondContact NH2-OE1 2.91Å; S89-E144 PolarHBondContact N-O 2.8Å; S89-E144 PolarHBondContact OG-N 2.78Å; E144-F227 WeakPolarHBondContact CA-O 3.28Å; E144-Q228 HydrophobicContact CB-CB 4.4Å; E144-Q228 HydrophobicContact CB-CG 4.13Å; E144-Q228 HydrophobicContact CG-CB 4.35Å; E144-Q228 HydrophobicContact CG-CG 4.49Å; E144-Q228 PolarHBondContact OE2-NE2 2.94Å
145	H	98.1	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.8	166	-52.8	156.7	0	0	0	110.7	M85 N86 F87 W134 F227 L248 Y250	M85-H145 HydrophobicContact CG-CB 3.83Å; M85-H145 HydrophobicContact SD-CB 3.36Å; M85-H145 WeakPolarHBondContact SD-CB 3.32Å; N86-H145 CarbonylContact O-C 3.52Å; N86-H145 VanDerWaalsContact O-CA 3.24Å; N86-H145 WeakPolarHBondContact O-CA 3.38Å; N86-H145 WeakPolarHBondContact O-CB 3.43Å; F87-H145 AromaticContact CD1-CD2 3.52Å; F87-H145 AromaticContact CD1-NE2 3.56Å; W134-H145 AromaticContact CD2-NE2 3.9Å; W134-H145 AromaticContact CE3-NE2 3.58Å; H145-F227 PolarHBondContact N-O 3.07Å; H145-F227 PolarHBondContact O-N 3.31Å; H145-L248 HydrophobicContact CB-CD2 4.17Å; H145-L248 WeakPolarHBondContact ND1-CD2 3.38Å; H145-Y250 AromaticContact CE1-CE1 3.71Å; H145-Y250 AromaticContact ND1-CE1 3.4Å; H145-Y250 WeakPolarHBondContact ND1-CE1 3.11Å; H145-Y250 AromaticContact ND1-CZ 3.67Å; H145-Y250 PolarHBondContact ND1-OH 3.43Å
146	A	97.9	Very high	94.3	Very high	8 Å²	8	36.8 Å²	36.8	7%	0.066	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112	177.2	0	0	0	0	0	110.5	M85 N86 R88 T224 M225 Y226	M85-A146 VanDerWaalsContact SD-C 3.54Å; N86-A146 HydrophobicContact CB-CB 4.31Å; N86-A146 PolarHBondContact N-O 3.09Å; N86-A146 PolarHBondContact O-N 3.26Å; R88-A146 VanDerWaalsContact CD-CB 3.48Å; R88-A146 HydrophobicContact CG-CB 4.14Å; A146-T224 HydrophobicContact CB-CG2 3.63Å; A146-M225 WeakPolarHBondContact CA-O 3.03Å; A146-Y226 HydrophobicContact CB-CD1 4.04Å; A146-Y226 HydrophobicContact CB-CE1 4.17Å
147	M	97.1	Very high	94.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	173.8	-168.5	-165.4	91	0	0	109.8	F83 M85 W154 I206 T224 M225 F227	F83-M147 HydrophobicContact CE2-CG 3.72Å; F83-M147 HydrophobicContact CE2-SD 3.71Å; F83-M147 HydrophobicContact CZ-CG 3.96Å; F83-M147 HydrophobicContact CZ-SD 4.24Å; M85-M147 HydrophobicContact CE-CB 3.59Å; M85-M147 HydrophobicContact CE-CG 3.83Å; M85-M147 HydrophobicContact SD-CB 3.91Å; M147-W154 HydrophobicContact CE-CD2 4.13Å; M147-W154 HydrophobicContact CE-CE3 4.32Å; M147-W154 HydrophobicContact CE-CH2 3.87Å; M147-W154 HydrophobicContact CE-CZ2 3.65Å; M147-W154 HydrophobicContact CE-CZ3 4.2Å; M147-W154 HydrophobicContact SD-CH2 3.96Å; M147-W154 HydrophobicContact SD-CZ2 4.22Å; M147-W154 HydrophobicContact SD-CZ3 4.38Å; M147-I206 HydrophobicContact CE-CD1 4.46Å; M147-I206 HydrophobicContact SD-CD1 3.18Å; M147-I206 WeakPolarHBondContact SD-CD1 3.19Å; M147-T224 CarbonylContact O-C 3.53Å; M147-T224 VanDerWaalsContact O-CA 3.28Å; M147-T224 WeakPolarHBondContact O-CA 3.29Å; M147-M225 HydrophobicContact CE-CE 3.56Å; M147-M225 PolarHBondContact N-O 3.13Å; M147-M225 PolarHBondContact O-N 2.87Å; M147-F227 HydrophobicContact CB-CE2 4.26Å; M147-F227 HydrophobicContact CB-CZ 4.37Å; M147-F227 HydrophobicContact SD-CE2 3.94Å; M147-F227 HydrophobicContact SD-CZ 3.75Å
148	T	95.9	Very high	94.7	Very high	23 Å²	23	34.4 Å²	34.4	14%	0.141	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.9	167.9	-175.6	0	0	0	0	110.5	R84 K150 F151 K223	R84-T148 HydrophobicContact CB-CG2 3.74Å; R84-T148 HydrophobicContact CG-CG2 4.11Å; R84-T148 PolarHBondContact O-N 2.79Å; T148-K150 PolarHBondContact OG1-N 3.27Å; T148-F151 HydrophobicContact CG2-CD2 4.01Å; T148-F151 HydrophobicContact CG2-CE2 3.58Å; T148-K223 WeakPolarHBondContact CA-O 3.38Å; T148-K223 PolarHBondContact OG1-O 3Å
149	Y	93.8	Very high	95	Very high	25 Å²	25	31.5 Å²	31.5	10%	0.098	16%	0.164	C	C	.	.			trans	-102.5	2.1	176.3	59.7	-102	0	0	0	113.3	F151 A152 W154 I169 D220 K223 M225	Y149-F151 PolarHBondContact O-N 3.26Å; Y149-A152 VanDerWaalsContact O-O 3.12Å; Y149-W154 PolarHBondContact O-NE1 2.92Å; Y149-I169 HydrophobicContact CD1-CD1 4.21Å; Y149-I169 HydrophobicContact CE1-CD1 3.79Å; Y149-D220 WeakPolarHBondContact OH-CA 3.44Å; Y149-D220 PolarHBondContact OH-OD1 3.2Å; Y149-K223 VanDerWaalsContact CD1-C 3.44Å; Y149-K223 WeakPolarHBondContact CD1-O 3.32Å; Y149-K223 HydrophobicContact CD2-CB 4.28Å; Y149-K223 HydrophobicContact CE2-CB 3.98Å; Y149-K223 HydrophobicContact CE2-CD 3.67Å; Y149-K223 HydrophobicContact CE2-CG 4.42Å; Y149-K223 PolarHBondContact N-O 2.71Å; Y149-M225 HydrophobicContact CD1-CE 4.05Å; Y149-M225 HydrophobicContact CD1-CG 4.02Å; Y149-M225 HydrophobicContact CE1-CG 4.26Å; Y149-M225 HydrophobicContact CG-CE 4.34Å
150	K	87.1	Confident	95.1	Very high	153 Å²	153	30.6 Å²	30.6	67%	0.665	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.3	-173.3	-175.7	171.7	178.8	174.9	0	115.7	T148 K223	T148-K150 PolarHBondContact OG1-N 3.27Å; K150-K223 HydrophobicContact CB-CB 4.06Å
151	F	81.2	Confident	95.3	Very high	96 Å²	96	26.8 Å²	26.8	42%	0.421	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4.4	-167.7	-52.9	-59.9	0	0	0	115.3	T148 Y149	T148-F151 HydrophobicContact CG2-CD2 4.01Å; T148-F151 HydrophobicContact CG2-CE2 3.58Å; Y149-F151 PolarHBondContact O-N 3.26Å
152	A	93.3	Very high	95.5	Very high	17 Å²	17	27.9 Å²	27.9	14%	0.14	15%	0.148	C	C	.	.	S	Bend	trans	-161	165.4	179.8	0	0	0	0	0	111.5	Y149 W154 N202	Y149-A152 VanDerWaalsContact O-O 3.12Å; A152-W154 VanDerWaalsContact O-CD1 3.25Å; A152-N202 HydrophobicContact CB-CB 4.16Å
153	H	96.4	Very high	95.5	Very high	51 Å²	51	26 Å²	26	24%	0.236	14%	0.135	C	C	.	.			trans	-79.4	141.1	161.4	-64.3	-61.2	0	0	0	109.2	P166 S200 S201 E615 K619	H153-P166 HydrophobicContact CB-CB 3.82Å; H153-P166 HydrophobicContact CB-CG 3.84Å; H153-S200 CarbonylContact O-C 3.56Å; H153-S200 WeakPolarHBondContact O-CA 3.31Å; H153-S200 WeakPolarHBondContact O-CB 3.45Å; H153-S201 PolarHBondContact N-OG 3.12Å; H153-S201 PolarHBondContact O-N 3.29Å; H153-E615 IonicContact NE2-OE2 3.43Å; H153-K619 VanDerWaalsContact CE1-CE 3.44Å; H153-K619 WeakPolarHBondContact CE1-CE 3.45Å; H153-K619 WeakPolarHBondContact NE2-CE 3.36Å
154	W	97.7	Very high	95.5	Very high	13 Å²	13	28.6 Å²	28.6	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.9	-175	-72.1	82.9	0	0	0	112.1	F83 M147 Y149 A152 P166 I167 W198 L199 I206	F83-W154 HydrophobicContact CD2-CH2 4.23Å; F83-W154 HydrophobicContact CE2-CH2 4.15Å; M147-W154 HydrophobicContact CE-CD2 4.13Å; M147-W154 HydrophobicContact CE-CE3 4.32Å; M147-W154 HydrophobicContact CE-CH2 3.87Å; M147-W154 HydrophobicContact CE-CZ2 3.65Å; M147-W154 HydrophobicContact CE-CZ3 4.2Å; M147-W154 HydrophobicContact SD-CH2 3.96Å; M147-W154 HydrophobicContact SD-CZ2 4.22Å; M147-W154 HydrophobicContact SD-CZ3 4.38Å; Y149-W154 PolarHBondContact O-NE1 2.92Å; A152-W154 VanDerWaalsContact O-CD1 3.25Å; W154-P166 VanDerWaalsContact O-CB 3.26Å; W154-P166 WeakPolarHBondContact O-CB 3.18Å; W154-I167 WeakPolarHBondContact O-CG1 3.43Å; W154-I167 PolarHBondContact O-N 3.32Å; W154-W198 HydrophobicContact CE3-CB 3.9Å; W154-W198 HydrophobicContact CZ3-CB 4.06Å; W154-L199 CarbonylContact C-O 3.56Å; W154-L199 WeakPolarHBondContact CA-O 3.28Å; W154-I206 HydrophobicContact CH2-CD1 3.78Å; W154-I206 HydrophobicContact CH2-CG1 4.28Å; W154-I206 HydrophobicContact CZ3-CD1 3.68Å; W154-I206 HydrophobicContact CZ3-CG1 4.07Å
155	Y	98.3	Very high	95.5	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.4	-175	-40.5	-85	0	0	0	110	W165 P166 W198 L199 W608 Y618	Y155-W165 AromaticContact CD1-CD2 3.67Å; Y155-W165 HydrophobicContact CD1-CD2 3.67Å; Y155-W165 AromaticContact CD1-CE2 3.38Å; Y155-W165 AromaticContact CD1-CE3 3.87Å; Y155-W165 HydrophobicContact CD1-CE3 3.87Å; Y155-W165 HydrophobicContact CD1-CG 4.42Å; Y155-W165 AromaticContact CD1-CH2 3.62Å; Y155-W165 HydrophobicContact CD1-CH2 3.62Å; Y155-W165 AromaticContact CD1-CZ2 3.36Å; Y155-W165 HydrophobicContact CD1-CZ2 3.36Å; Y155-W165 AromaticContact CD1-CZ3 3.86Å; Y155-W165 HydrophobicContact CD1-CZ3 3.86Å; Y155-W165 AromaticContact CD1-NE1 3.98Å; Y155-W165 HydrophobicContact CE1-CD2 4.02Å; Y155-W165 AromaticContact CE1-CE2 3.49Å; Y155-W165 VanDerWaalsContact CE1-CE2 3.49Å; Y155-W165 HydrophobicContact CE1-CG 4.41Å; Y155-W165 HydrophobicContact CE1-CH2 4.45Å; Y155-W165 AromaticContact CE1-CZ2 3.74Å; Y155-W165 HydrophobicContact CE1-CZ2 3.74Å; Y155-W165 AromaticContact CE1-NE1 3.59Å; Y155-W165 AromaticContact CG-CH2 3.94Å; Y155-W165 HydrophobicContact CG-CH2 3.94Å; Y155-W165 AromaticContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ3 4.31Å; Y155-P166 HydrophobicContact CD1-CB 3.99Å; Y155-P166 HydrophobicContact CE1-CB 3.6Å; Y155-W198 CarbonylContact O-C 3.57Å; Y155-W198 VanDerWaalsContact O-CA 3.31Å; Y155-W198 WeakPolarHBondContact O-CA 3.28Å; Y155-L199 HydrophobicContact CD2-CB 4.49Å; Y155-L199 HydrophobicContact CD2-CG 4.37Å; Y155-L199 PolarHBondContact N-O 3.22Å; Y155-L199 PolarHBondContact O-N 2.98Å; Y155-W608 HydrophobicContact CD2-CZ2 4.31Å; Y155-W608 AromaticContact CE1-NE1 3.6Å; Y155-W608 HydrophobicContact CE2-CZ2 4.41Å; Y155-W608 AromaticContact CE2-NE1 3.75Å; Y155-W608 AromaticContact CZ-CD1 3.93Å; Y155-W608 AromaticContact CZ-NE1 3.37Å; Y155-Y618 WeakPolarHBondContact OH-CA 3.18Å; Y155-Y618 WeakPolarHBondContact OH-CB 3.3Å; Y155-Y618 PolarHBondContact OH-O 3.04Å
156	G	97.5	Very high	95.5	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.9	-151.7	175.6	0	0	0	0	0	114.1	A158 I167 I512	G156-A158 PolarHBondContact O-N 3.27Å; G156-I167 WeakPolarHBondContact O-CD1 3.31Å; G156-I512 VanDerWaalsContact N-CD1 3.34Å
157	G	97.5	Very high	95.4	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-95.1	-171.9	0	0	0	0	0	112.6	L194 E195 Y197	G157-L194 WeakPolarHBondContact O-CA 3.38Å; G157-L194 WeakPolarHBondContact O-CB 3.43Å; G157-E195 CarbonylContact C-O 3.54Å; G157-E195 WeakPolarHBondContact CA-O 3.38Å; G157-E195 PolarHBondContact O-N 3.11Å; G157-Y197 PolarHBondContact N-O 2.86Å
158	A	97.2	Very high	95.2	Very high	15 Å²	15	34.3 Å²	34.3	12%	0.124	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157	-172.7	0	0	0	0	0	110.7	G156 F178 F190 L194	G156-A158 PolarHBondContact O-N 3.27Å; A158-F178 HydrophobicContact CB-CE2 4.26Å; A158-F178 HydrophobicContact CB-CZ 4.18Å; A158-F190 HydrophobicContact CB-CB 3.9Å; A158-F190 HydrophobicContact CB-CD1 4.31Å; A158-F190 HydrophobicContact CB-CG 4.49Å; A158-L194 HydrophobicContact CB-CB 3.56Å; A158-L194 HydrophobicContact CB-CD2 4.43Å
159	V	97.1	Very high	94.9	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	18%	0.183	C	C	.	.			trans	-70.8	145.1	161.4	-56.3	0	0	0	0	109.7	Q163 G191 I193 T506 T509 I510	V159-Q163 VanDerWaalsContact CA-OE1 3.3Å; V159-G191 VanDerWaalsContact O-CA 3.28Å; V159-G191 WeakPolarHBondContact O-CA 3.49Å; V159-G191 PolarHBondContact O-N 3.28Å; V159-I193 HydrophobicContact CG1-CB 4.32Å; V159-I193 HydrophobicContact CG2-CB 4.3Å; V159-I193 PolarHBondContact N-O 2.93Å; V159-T506 HydrophobicContact CG1-CG2 4.21Å; V159-T509 HydrophobicContact CG1-CG2 4.36Å; V159-I510 HydrophobicContact CG1-CD1 4.08Å; V159-I510 HydrophobicContact CG1-CG1 3.51Å
160	S	95.8	Very high	94.8	Very high	40 Å²	40	37.6 Å²	37.6	28%	0.28	21%	0.209	S	C	.	.			trans	-132.2	162.9	179.6	51.2	0	0	0	0	111.8	V162 Q163	S160-V162 WeakPolarHBondContact CB-O 3.36Å; S160-V162 PolarHBondContact OG-O 2.74Å; S160-Q163 PolarHBondContact OG-OE1 3.49Å
161	A	95.8	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-63.4	-51.6	178.2	0	0	0	0	0	111.6	I183 R187 E497 L498	A161-I183 HydrophobicContact CB-CB 4.34Å; A161-I183 HydrophobicContact CB-CD1 4.47Å; A161-R187 HydrophobicContact CB-CB 4.16Å; A161-R187 VanDerWaalsContact CB-CD 3.5Å; A161-R187 HydrophobicContact CB-CG 4.46Å; A161-E497 HydrophobicContact CB-CG 4.44Å; A161-E497 CarbonylContact O-C 3.47Å; A161-E497 WeakPolarHBondContact O-CA 3.12Å; A161-L498 HydrophobicContact CB-CD2 4.37Å; A161-L498 HydrophobicContact CB-CG 4.23Å; A161-L498 PolarHBondContact O-N 2.72Å
162	V	96.7	Very high	95.9	Very high	69 Å²	69	34.4 Å²	34.4	42%	0.418	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-86.7	111.5	165	-171.6	0	0	0	0	107.8	S160 Y496 E497	S160-V162 WeakPolarHBondContact CB-O 3.36Å; S160-V162 PolarHBondContact OG-O 2.74Å; V162-Y496 WeakPolarHBondContact CA-O 3.34Å; V162-E497 HydrophobicContact CG2-CB 3.95Å; V162-E497 HydrophobicContact CG2-CG 3.88Å
163	Q	96.9	Very high	96	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.014	21%	0.214	C	C	.	.			trans	-122.2	120.4	-176.3	-175	76.5	67.5	0	0	111.3	V159 S160 Y496 S502 P505 T509	V159-Q163 VanDerWaalsContact CA-OE1 3.3Å; S160-Q163 PolarHBondContact OG-OE1 3.49Å; Q163-Y496 PolarHBondContact N-O 3.04Å; Q163-Y496 VanDerWaalsContact N-O 3.15Å; Q163-Y496 WeakPolarHBondContact O-CD1 3.12Å; Q163-S502 VanDerWaalsContact O-CB 3.29Å; Q163-S502 WeakPolarHBondContact O-CB 3.44Å; Q163-P505 HydrophobicContact CB-CB 4.32Å; Q163-P505 HydrophobicContact CG-CB 3.62Å; Q163-P505 WeakPolarHBondContact O-CB 3.42Å; Q163-T509 PolarHBondContact NE2-OG1 2.81Å
164	H	97.4	Very high	96.1	Very high	54 Å²	54	36.9 Å²	36.9	25%	0.25	23%	0.232	C	C	.	.			trans	-115.9	164	174.3	-67.1	-77.7	0	0	0	111.3	P166 Y496	H164-P166 CarbonylContact C-O 3.47Å; H164-P166 WeakPolarHBondContact CB-O 3.44Å; H164-Y496 AromaticContact CE1-CD1 3.67Å; H164-Y496 AromaticContact CE1-CD2 3.56Å; H164-Y496 AromaticContact CE1-CG 3.35Å; H164-Y496 AromaticContact ND1-CD1 3.5Å; H164-Y496 WeakPolarHBondContact ND1-CD1 3.29Å; H164-Y496 AromaticContact ND1-CE1 3.73Å; H164-Y496 AromaticContact ND1-CG 3.7Å
165	W	97.7	Very high	96.1	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.019	24%	0.236	C	C	.	.	S	Bend	trans	-134.3	115.9	171.9	-176.4	-89.9	0	0	0	110.5	Y155 P505 L508 I512 P606 W608 I620 D621	Y155-W165 AromaticContact CD1-CD2 3.67Å; Y155-W165 HydrophobicContact CD1-CD2 3.67Å; Y155-W165 AromaticContact CD1-CE2 3.38Å; Y155-W165 AromaticContact CD1-CE3 3.87Å; Y155-W165 HydrophobicContact CD1-CE3 3.87Å; Y155-W165 HydrophobicContact CD1-CG 4.42Å; Y155-W165 AromaticContact CD1-CH2 3.62Å; Y155-W165 HydrophobicContact CD1-CH2 3.62Å; Y155-W165 AromaticContact CD1-CZ2 3.36Å; Y155-W165 HydrophobicContact CD1-CZ2 3.36Å; Y155-W165 AromaticContact CD1-CZ3 3.86Å; Y155-W165 HydrophobicContact CD1-CZ3 3.86Å; Y155-W165 AromaticContact CD1-NE1 3.98Å; Y155-W165 HydrophobicContact CE1-CD2 4.02Å; Y155-W165 AromaticContact CE1-CE2 3.49Å; Y155-W165 VanDerWaalsContact CE1-CE2 3.49Å; Y155-W165 HydrophobicContact CE1-CG 4.41Å; Y155-W165 HydrophobicContact CE1-CH2 4.45Å; Y155-W165 AromaticContact CE1-CZ2 3.74Å; Y155-W165 HydrophobicContact CE1-CZ2 3.74Å; Y155-W165 AromaticContact CE1-NE1 3.59Å; Y155-W165 AromaticContact CG-CH2 3.94Å; Y155-W165 HydrophobicContact CG-CH2 3.94Å; Y155-W165 AromaticContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ3 4.31Å; W165-P505 HydrophobicContact CB-CB 4.07Å; W165-P505 HydrophobicContact CB-CG 4.13Å; W165-L508 HydrophobicContact CD2-CB 3.97Å; W165-L508 HydrophobicContact CD2-CD1 3.89Å; W165-L508 HydrophobicContact CE3-CB 3.66Å; W165-L508 HydrophobicContact CE3-CD1 4.44Å; W165-L508 HydrophobicContact CG-CD1 3.96Å; W165-L508 HydrophobicContact CH2-CB 3.98Å; W165-L508 HydrophobicContact CZ2-CB 4.28Å; W165-L508 HydrophobicContact CZ2-CD1 4.49Å; W165-L508 HydrophobicContact CZ3-CB 3.67Å; W165-I512 HydrophobicContact CH2-CD1 3.74Å; W165-I512 HydrophobicContact CH2-CG1 4.18Å; W165-I512 HydrophobicContact CH2-CG2 4.04Å; W165-I512 HydrophobicContact CZ3-CD1 3.86Å; W165-I512 HydrophobicContact CZ3-CG1 4.25Å; W165-P606 HydrophobicContact CH2-CB 4.47Å; W165-P606 HydrophobicContact CH2-CG 4.42Å; W165-P606 HydrophobicContact CZ2-CB 3.46Å; W165-P606 VanDerWaalsContact CZ2-CB 3.46Å; W165-P606 HydrophobicContact CZ2-CG 3.7Å; W165-W608 AromaticContact CE2-NE1 3.85Å; W165-W608 HydrophobicContact CH2-CZ2 4.27Å; W165-W608 AromaticContact CZ2-CE2 3.88Å; W165-W608 AromaticContact CZ2-CZ2 3.83Å; W165-W608 HydrophobicContact CZ2-CZ2 3.83Å; W165-W608 AromaticContact CZ2-NE1 3.4Å; W165-W608 AromaticContact NE1-NE1 3.76Å; W165-I620 VanDerWaalsContact CD1-O 3.23Å; W165-D621 HydrophobicContact CB-CB 3.87Å
166	P	97.8	Very high	96	Very high	22 Å²	22	38.5 Å²	38.5	14%	0.143	24%	0.242	C	C	.	.	S	Bend	cis	-60.2	174.3	-6	29.8	-38.8	0	0	0	113.1	H153 W154 Y155 H164 S168	H153-P166 HydrophobicContact CB-CB 3.82Å; H153-P166 HydrophobicContact CB-CG 3.84Å; W154-P166 VanDerWaalsContact O-CB 3.26Å; W154-P166 WeakPolarHBondContact O-CB 3.18Å; Y155-P166 HydrophobicContact CD1-CB 3.99Å; Y155-P166 HydrophobicContact CE1-CB 3.6Å; H164-P166 CarbonylContact C-O 3.47Å; H164-P166 WeakPolarHBondContact CB-O 3.44Å; P166-S168 PolarHBondContact O-N 3.38Å; P166-S168 VanDerWaalsContact O-N 3.1Å
167	I	95.5	Very high	96	Very high	48 Å²	48	39 Å²	39	25%	0.246	24%	0.244	C	C	.	.			trans	-54.4	120.3	174.3	-56.6	165.1	0	0	0	109	W154 G156 I169	W154-I167 WeakPolarHBondContact O-CG1 3.43Å; W154-I167 PolarHBondContact O-N 3.32Å; G156-I167 WeakPolarHBondContact O-CD1 3.31Å; I167-I169 HydrophobicContact CG2-CD1 4.43Å; I167-I169 HydrophobicContact CG2-CG1 3.82Å
168	S	92.9	Very high	96	Very high	78 Å²	78	39.2 Å²	39.2	55%	0.545	25%	0.245	S	C	.	.			trans	-92.2	124.8	166.4	-170.3	0	0	0	0	108.3	P166	P166-S168 PolarHBondContact O-N 3.38Å; P166-S168 VanDerWaalsContact O-N 3.1Å
169	I	90.3	Very high	96	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.128	24%	0.242	C	C	.	.			trans	-110.8	130.4	177	-61.9	-178.5	0	0	0	107.2	Y149 I167 W218 D220 M225	Y149-I169 HydrophobicContact CD1-CD1 4.21Å; Y149-I169 HydrophobicContact CE1-CD1 3.79Å; I167-I169 HydrophobicContact CG2-CD1 4.43Å; I167-I169 HydrophobicContact CG2-CG1 3.82Å; I169-W218 HydrophobicContact CG2-CB 3.87Å; I169-W218 HydrophobicContact CG2-CD2 4.04Å; I169-W218 HydrophobicContact CG2-CG 3.43Å; I169-W218 VanDerWaalsContact CG2-CG 3.43Å; I169-D220 VanDerWaalsContact O-CG 3.23Å; I169-D220 VanDerWaalsContact O-OD1 3.11Å; I169-M225 HydrophobicContact CD1-CE 3.93Å; I169-M225 HydrophobicContact CD1-CG 3.92Å; I169-M225 HydrophobicContact CD1-SD 4.02Å
170	S	91.3	Very high	96	Very high	92 Å²	92	39 Å²	39	64%	0.643	24%	0.242	S	C	*	.			trans	-127.7	153.7	178.5	63	0	0	0	0	111.3	W218	S170-W218 PolarHBondContact O-NE1 3.08Å
171	G	94.8	Very high	96.1	Very high	47 Å²	47	37.1 Å²	37.1	49%	0.485	23%	0.229	S	C	.	.	S	Bend	trans	63.4	-148.4	176.1	0	0	0	0	0	114.6	D220	G171-D220 WeakPolarHBondContact O-CB 3.41Å; G171-D220 PolarHBondContact O-N 2.92Å
172	Q	96.5	Very high	96.1	Very high	134 Å²	134	37.2 Å²	37.2	63%	0.626	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.8	-179.4	-61.3	-175.9	-10.4	0	0	109.4	W218 N219	Q172-W218 WeakPolarHBondContact CA-O 3.01Å; Q172-N219 HydrophobicContact CG-CB 4.28Å; Q172-N219 PolarHBondContact NE2-ND2 3.44Å; Q172-N219 PolarHBondContact NE2-OD1 3.17Å
173	Q	96.1	Very high	96	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.22	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120	179.4	175.1	60.8	74.3	0	0	108.8	G217 W218	Q173-G217 CarbonylContact O-C 3.51Å; Q173-G217 WeakPolarHBondContact O-CA 3.36Å; Q173-W218 HydrophobicContact CB-CD2 3.59Å; Q173-W218 HydrophobicContact CB-CE3 3.93Å; Q173-W218 HydrophobicContact CB-CG 4.14Å; Q173-W218 HydrophobicContact CB-CH2 3.91Å; Q173-W218 HydrophobicContact CB-CZ2 3.56Å; Q173-W218 HydrophobicContact CB-CZ3 4.08Å; Q173-W218 HydrophobicContact CG-CD2 4.29Å; Q173-W218 HydrophobicContact CG-CE3 4.13Å; Q173-W218 HydrophobicContact CG-CH2 3.77Å; Q173-W218 HydrophobicContact CG-CZ2 3.94Å; Q173-W218 HydrophobicContact CG-CZ3 3.86Å; Q173-W218 PolarHBondContact N-O 3.4Å; Q173-W218 PolarHBondContact O-N 3.05Å
174	A	96.9	Very high	95.6	Very high	74 Å²	74	37.3 Å²	37.3	61%	0.612	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	145.4	170.3	0	0	0	0	0	110.3	K176	A174-K176 PolarHBondContact O-N 3.21Å
175	P	97.7	Very high	95.2	Very high	21 Å²	21	38.5 Å²	38.5	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	110.8	-177.8	-28.2	35.8	0	0	0	114	H215 L216 Q228 R230	P175-H215 HydrophobicContact CB-CB 3.99Å; P175-L216 WeakPolarHBondContact CA-O 3.23Å; P175-Q228 HydrophobicContact CB-CB 3.92Å; P175-Q228 HydrophobicContact CG-CB 4.31Å; P175-R230 PolarHBondContact O-NH1 2.83Å
176	K	97.1	Very high	94.9	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157.3	177.5	68.8	172.4	177.9	176.9	0	111.5	A174 F178 E188 E189 F190 H215 L216	A174-K176 PolarHBondContact O-N 3.21Å; K176-F178 PolarHBondContact O-N 3.37Å; K176-E188 PolarHBondContact NZ-O 2.94Å; K176-E189 WeakPolarHBondContact CE-OE2 3.23Å; K176-E189 IonicContact NZ-OE2 2.71Å; K176-E189 PolarHBondContact NZ-OE2 2.88Å; K176-F190 HydrophobicContact CD-CE2 4.34Å; K176-F190 HydrophobicContact CG-CE2 3.87Å; K176-F190 HydrophobicContact CG-CZ 4.17Å; K176-H215 CarbonylContact O-C 3.54Å; K176-H215 WeakPolarHBondContact O-CA 3.26Å; K176-H215 VanDerWaalsContact O-CB 3.32Å; K176-H215 WeakPolarHBondContact O-CB 3.38Å; K176-L216 PolarHBondContact N-O 3.27Å; K176-L216 PolarHBondContact O-N 3.34Å
177	P	97.3	Very high	94.7	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	129.4	-175.7	-23.7	33.7	0	0	0	111.6	V179 F190 P235 F236 W441	P177-V179 HydrophobicContact CB-CG1 4.03Å; P177-V179 HydrophobicContact CB-CG2 4.3Å; P177-V179 PolarHBondContact O-N 3.18Å; P177-V179 VanDerWaalsContact O-N 3.09Å; P177-F190 WeakPolarHBondContact O-CE2 3.28Å; P177-P235 HydrophobicContact CB-CG 3.98Å; P177-P235 HydrophobicContact CG-CG 4Å; P177-F236 HydrophobicContact CB-CE2 4.1Å; P177-W441 HydrophobicContact CG-CH2 3.69Å; P177-W441 HydrophobicContact CG-CZ3 3.93Å
178	F	97.9	Very high	94.6	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.026	28%	0.279	C	S	.	.			trans	-87	80.3	179.9	-168.2	-107.5	0	0	0	109.7	A158 K176 F190 L194 S196 W198 F214 L216	A158-F178 HydrophobicContact CB-CE2 4.26Å; A158-F178 HydrophobicContact CB-CZ 4.18Å; K176-F178 PolarHBondContact O-N 3.37Å; F178-F190 HydrophobicContact CB-CE2 4.42Å; F178-F190 AromaticContact CD2-CD1 4Å; F178-F190 HydrophobicContact CD2-CD1 4Å; F178-F190 AromaticContact CD2-CD2 3.73Å; F178-F190 HydrophobicContact CD2-CD2 3.73Å; F178-F190 AromaticContact CD2-CE1 3.95Å; F178-F190 HydrophobicContact CD2-CE1 3.95Å; F178-F190 AromaticContact CD2-CE2 3.67Å; F178-F190 HydrophobicContact CD2-CE2 3.67Å; F178-F190 AromaticContact CD2-CG 3.89Å; F178-F190 HydrophobicContact CD2-CG 3.89Å; F178-F190 AromaticContact CD2-CZ 3.79Å; F178-F190 HydrophobicContact CD2-CZ 3.79Å; F178-F190 AromaticContact CE2-CD1 3.83Å; F178-F190 HydrophobicContact CE2-CD1 3.83Å; F178-F190 HydrophobicContact CE2-CD2 4.32Å; F178-F190 HydrophobicContact CE2-CE1 4Å; F178-F190 HydrophobicContact CE2-CE2 4.46Å; F178-F190 AromaticContact CE2-CG 4Å; F178-F190 HydrophobicContact CE2-CG 4Å; F178-F190 HydrophobicContact CE2-CZ 4.32Å; F178-F190 HydrophobicContact CG-CD2 4.49Å; F178-F190 HydrophobicContact CG-CE2 4.49Å; F178-L194 HydrophobicContact CD1-CD1 3.96Å; F178-L194 HydrophobicContact CE1-CB 4.4Å; F178-L194 HydrophobicContact CE1-CD1 3.67Å; F178-L194 HydrophobicContact CE1-CD2 4.47Å; F178-L194 HydrophobicContact CE1-CG 4.41Å; F178-L194 HydrophobicContact CZ-CB 4.34Å; F178-L194 HydrophobicContact CZ-CD1 4.41Å; F178-S196 WeakPolarHBondContact CD1-OG 3.32Å; F178-W198 AromaticContact CE1-CH2 3.98Å; F178-W198 HydrophobicContact CE1-CH2 3.98Å; F178-W198 HydrophobicContact CE1-CZ2 4.33Å; F178-W198 HydrophobicContact CE2-CH2 4.38Å; F178-W198 HydrophobicContact CE2-CZ2 4.08Å; F178-W198 AromaticContact CZ-CH2 3.89Å; F178-W198 HydrophobicContact CZ-CH2 3.89Å; F178-W198 AromaticContact CZ-CZ2 3.76Å; F178-W198 HydrophobicContact CZ-CZ2 3.76Å; F178-F214 HydrophobicContact CB-CD1 3.48Å; F178-F214 VanDerWaalsContact CB-CD1 3.48Å; F178-F214 HydrophobicContact CB-CE1 3.83Å; F178-F214 HydrophobicContact CB-CG 4.45Å; F178-F214 AromaticContact CD1-CD1 3.72Å; F178-F214 HydrophobicContact CD1-CD1 3.72Å; F178-F214 AromaticContact CD1-CE1 3.82Å; F178-F214 HydrophobicContact CD1-CE1 3.82Å; F178-F214 HydrophobicContact CD2-CE1 4.36Å; F178-F214 HydrophobicContact CE1-CE1 4.48Å; F178-F214 AromaticContact CG-CD1 3.76Å; F178-F214 HydrophobicContact CG-CD1 3.76Å; F178-F214 AromaticContact CG-CE1 3.74Å; F178-F214 HydrophobicContact CG-CE1 3.74Å; F178-F214 PolarHBondContact N-O 3.18Å; F178-L216 HydrophobicContact CB-CB 4.42Å; F178-L216 HydrophobicContact CD2-CB 3.81Å; F178-L216 HydrophobicContact CD2-CD2 3.73Å; F178-L216 HydrophobicContact CD2-CG 4.44Å; F178-L216 HydrophobicContact CE2-CD2 3.6Å; F178-L216 HydrophobicContact CG-CB 4.4Å
179	V	97.3	Very high	94.7	Very high	13 Å²	13	47 Å²	47	8%	0.079	26%	0.264	C	S	.	.			trans	-132.3	152.3	-171.7	-57.6	0	0	0	0	111.2	P177 S181 L194 F236 T436 P452	P177-V179 HydrophobicContact CB-CG1 4.03Å; P177-V179 HydrophobicContact CB-CG2 4.3Å; P177-V179 PolarHBondContact O-N 3.18Å; P177-V179 VanDerWaalsContact O-N 3.09Å; V179-S181 PolarHBondContact O-OG 3.28Å; V179-L194 VanDerWaalsContact C-CD2 3.41Å; V179-F236 HydrophobicContact CG1-CE2 4.2Å; V179-F236 HydrophobicContact CG1-CZ 4.03Å; V179-T436 HydrophobicContact CB-CG2 3.84Å; V179-T436 HydrophobicContact CG1-CG2 4.23Å; V179-T436 HydrophobicContact CG2-CG2 4.16Å; V179-P452 HydrophobicContact CG1-CG 3.85Å
180	T	97.3	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.			trans	-65.8	135.6	-178.1	49.9	0	0	0	0	110.2	G192 L194 T436 N437 T456	T180-G192 VanDerWaalsContact CG2-O 3.22Å; T180-G192 WeakPolarHBondContact CG2-O 3.49Å; T180-L194 HydrophobicContact CG2-CD2 3.85Å; T180-L194 HydrophobicContact CG2-CG 3.75Å; T180-T436 WeakPolarHBondContact O-CA 3.31Å; T180-T436 VanDerWaalsContact O-CB 3.3Å; T180-T436 WeakPolarHBondContact O-CB 3.39Å; T180-T436 PolarHBondContact O-N 2.9Å; T180-T436 PolarHBondContact OG1-N 2.94Å; T180-T436 PolarHBondContact OG1-OG1 2.79Å; T180-N437 PolarHBondContact O-N 3.29Å; T180-N437 VanDerWaalsContact O-N 3.11Å; T180-T456 HydrophobicContact CG2-CG2 4.28Å; T180-T456 PolarHBondContact OG1-OG1 3.43Å
181	S	96.6	Very high	95.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	23%	0.231	C	C	.	.			trans	-141.1	146.6	-177.6	-47.5	0	0	0	0	112	V179 I183 E189 F190 G191 G192 N437	V179-S181 PolarHBondContact O-OG 3.28Å; S181-I183 PolarHBondContact O-N 3.37Å; S181-E189 VanDerWaalsContact CB-CB 3.45Å; S181-F190 WeakPolarHBondContact CA-O 3.44Å; S181-F190 WeakPolarHBondContact CB-O 3.46Å; S181-F190 PolarHBondContact N-O 2.98Å; S181-F190 PolarHBondContact OG-O 2.85Å; S181-G191 PolarHBondContact N-O 3.21Å; S181-G191 CarbonylContact O-C 3.58Å; S181-G191 VanDerWaalsContact O-CA 3.24Å; S181-G191 WeakPolarHBondContact O-CA 3.32Å; S181-G192 PolarHBondContact O-N 3.42Å; S181-N437 VanDerWaalsContact CA-CG 3.48Å; S181-N437 WeakPolarHBondContact CA-OD1 3.42Å
182	D	95.5	Very high	95.3	Very high	2 Å²	2	40 Å²	40	1%	0.011	21%	0.208	C	C	.	.			trans	-70.4	98.2	165.7	175.6	39.4	0	0	0	111.2	Y184 S185 N186 N437 Y438 R473	D182-Y184 PolarHBondContact O-N 3.29Å; D182-Y184 VanDerWaalsContact OD1-CB 3.22Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.39Å; D182-Y184 PolarHBondContact OD1-N 2.97Å; D182-S185 PolarHBondContact O-N 3.08Å; D182-S185 WeakPolarHBondContact OD2-CB 3.49Å; D182-S185 PolarHBondContact OD2-N 3.14Å; D182-S185 PolarHBondContact OD2-OG 2.79Å; D182-N186 PolarHBondContact O-N 3.07Å; D182-N186 VanDerWaalsContact O-N 3.15Å; D182-N437 PolarHBondContact N-ND2 3.23Å; D182-N437 PolarHBondContact N-OD1 2.94Å; D182-Y438 HydrophobicContact CB-CE2 3.85Å; D182-Y438 WeakPolarHBondContact CB-OH 3.11Å; D182-Y438 PolarHBondContact OD2-OH 2.82Å; D182-R473 IonicContact OD1-CZ 3.77Å; D182-R473 IonicContact OD1-NH2 2.91Å; D182-R473 PolarHBondContact OD1-NH2 2.99Å
183	I	94.6	Very high	95.4	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.5	172.5	49.6	170.1	0	0	0	113.3	A161 S181 N186 R187 E189 T488 L498	A161-I183 HydrophobicContact CB-CB 4.34Å; A161-I183 HydrophobicContact CB-CD1 4.47Å; S181-I183 PolarHBondContact O-N 3.37Å; I183-N186 WeakPolarHBondContact CA-O 3.31Å; I183-N186 CarbonylContact O-C 3.29Å; I183-R187 PolarHBondContact O-NH1 3.23Å; I183-E189 HydrophobicContact CG2-CB 4.42Å; I183-E189 WeakPolarHBondContact CG2-O 3.4Å; I183-T488 HydrophobicContact CG1-CG2 3.95Å; I183-L498 HydrophobicContact CD1-CD2 4.2Å
184	Y	90.1	Very high	95.4	Very high	71 Å²	71	31.4 Å²	31.4	28%	0.278	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-40.7	169.9	-152.6	-86.2	0	0	0	111.4	D182 R187 T488 D489 D491 L498 Y528	D182-Y184 PolarHBondContact O-N 3.29Å; D182-Y184 VanDerWaalsContact OD1-CB 3.22Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.39Å; D182-Y184 PolarHBondContact OD1-N 2.97Å; Y184-R187 VanDerWaalsContact CA-NH1 3.34Å; Y184-R187 PolarHBondContact O-NH1 3.03Å; Y184-T488 HydrophobicContact CD2-CG2 4.35Å; Y184-D489 HydrophobicContact CD2-CB 4.25Å; Y184-D491 WeakPolarHBondContact CE2-OD1 3.5Å; Y184-D491 PolarHBondContact OH-OD1 2.96Å; Y184-L498 HydrophobicContact CD2-CD1 4.05Å; Y184-L498 HydrophobicContact CE2-CD1 4.28Å; Y184-Y528 HydrophobicContact CE1-CD2 4.48Å; Y184-Y528 HydrophobicContact CE1-CE2 4.23Å; Y184-Y528 HydrophobicContact CE2-CD2 4.05Å; Y184-Y528 AromaticContact CE2-CE2 3.82Å; Y184-Y528 HydrophobicContact CE2-CE2 3.82Å; Y184-Y528 AromaticContact CZ-CD2 3.61Å; Y184-Y528 AromaticContact CZ-CE2 3.58Å; Y184-Y528 WeakPolarHBondContact OH-CD2 3.36Å
185	S	88.6	Confident	95.5	Very high	78 Å²	78	28 Å²	28	55%	0.545	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-31.2	175.2	-60.6	0	0	0	0	114.1	D182	D182-S185 PolarHBondContact O-N 3.08Å; D182-S185 WeakPolarHBondContact OD2-CB 3.49Å; D182-S185 PolarHBondContact OD2-N 3.14Å; D182-S185 PolarHBondContact OD2-OG 2.79Å
186	N	92.1	Very high	95.5	Very high	62 Å²	62	27.5 Å²	27.5	33%	0.332	14%	0.136	S	C	.	.			trans	-142.8	103.5	174.2	-174.3	-0.7	0	0	0	112	D182 I183 E188 E189	D182-N186 PolarHBondContact O-N 3.07Å; D182-N186 VanDerWaalsContact O-N 3.15Å; I183-N186 WeakPolarHBondContact CA-O 3.31Å; I183-N186 CarbonylContact O-C 3.29Å; N186-E188 PolarHBondContact O-N 2.8Å; N186-E188 VanDerWaalsContact O-N 3.09Å; N186-E188 PolarHBondContact OD1-N 3.21Å; N186-E189 HydrophobicContact CB-CG 3.82Å; N186-E189 WeakPolarHBondContact ND2-CG 3.42Å; N186-E189 PolarHBondContact ND2-OE1 2.87Å; N186-E189 PolarHBondContact O-N 2.79Å
187	R	93.3	Very high	95.5	Very high	73 Å²	73	26.2 Å²	26.2	28%	0.275	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.7	-176.8	-65.1	-71.4	-165.6	-97.6	10.5	114.3	A161 I183 Y184 D491 E497 L498	A161-R187 HydrophobicContact CB-CB 4.16Å; A161-R187 VanDerWaalsContact CB-CD 3.5Å; A161-R187 HydrophobicContact CB-CG 4.46Å; I183-R187 PolarHBondContact O-NH1 3.23Å; Y184-R187 VanDerWaalsContact CA-NH1 3.34Å; Y184-R187 PolarHBondContact O-NH1 3.03Å; R187-D491 IonicContact CZ-OD2 2.6Å; R187-D491 IonicContact NH2-OD1 3.67Å; R187-D491 IonicContact NH2-OD2 3.49Å; R187-D491 PolarHBondContact NH2-OD2 3.12Å; R187-E497 WeakPolarHBondContact CD-OE1 2.86Å; R187-E497 WeakPolarHBondContact CG-OE1 3.5Å; R187-E497 IonicContact NE-OE1 3.31Å; R187-E497 PolarHBondContact NE-OE1 2.94Å; R187-L498 VanDerWaalsContact CZ-CD1 3.42Å
188	E	92.4	Very high	95.6	Very high	145 Å²	145	25.8 Å²	25.8	68%	0.678	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.1	-178.5	-60.9	-173.1	167	0	0	114.2	K176 N186	K176-E188 PolarHBondContact NZ-O 2.94Å; N186-E188 PolarHBondContact O-N 2.8Å; N186-E188 VanDerWaalsContact O-N 3.09Å; N186-E188 PolarHBondContact OD1-N 3.21Å
189	E	94.9	Very high	95.6	Very high	52 Å²	52	25.5 Å²	25.5	24%	0.243	13%	0.126	C	C	.	.	S	Bend	trans	-84.7	169	-175.5	-60.4	-66.2	-175.6	0	0	114.8	K176 S181 I183 N186	K176-E189 WeakPolarHBondContact CE-OE2 3.23Å; K176-E189 IonicContact NZ-OE2 2.71Å; K176-E189 PolarHBondContact NZ-OE2 2.88Å; S181-E189 VanDerWaalsContact CB-CB 3.45Å; I183-E189 HydrophobicContact CG2-CB 4.42Å; I183-E189 WeakPolarHBondContact CG2-O 3.4Å; N186-E189 HydrophobicContact CB-CG 3.82Å; N186-E189 WeakPolarHBondContact ND2-CG 3.42Å; N186-E189 PolarHBondContact ND2-OE1 2.87Å; N186-E189 PolarHBondContact O-N 2.79Å
190	F	96.3	Very high	95.6	Very high	16 Å²	16	24.9 Å²	24.9	7%	0.07	12%	0.123	C	C	.	.			trans	-78	126.2	169	-49.6	-62.8	0	0	0	109.1	A158 K176 P177 F178 S181 L194 L216 W218	A158-F190 HydrophobicContact CB-CB 3.9Å; A158-F190 HydrophobicContact CB-CD1 4.31Å; A158-F190 HydrophobicContact CB-CG 4.49Å; K176-F190 HydrophobicContact CD-CE2 4.34Å; K176-F190 HydrophobicContact CG-CE2 3.87Å; K176-F190 HydrophobicContact CG-CZ 4.17Å; P177-F190 WeakPolarHBondContact O-CE2 3.28Å; F178-F190 HydrophobicContact CB-CE2 4.42Å; F178-F190 AromaticContact CD2-CD1 4Å; F178-F190 HydrophobicContact CD2-CD1 4Å; F178-F190 AromaticContact CD2-CD2 3.73Å; F178-F190 HydrophobicContact CD2-CD2 3.73Å; F178-F190 AromaticContact CD2-CE1 3.95Å; F178-F190 HydrophobicContact CD2-CE1 3.95Å; F178-F190 AromaticContact CD2-CE2 3.67Å; F178-F190 HydrophobicContact CD2-CE2 3.67Å; F178-F190 AromaticContact CD2-CG 3.89Å; F178-F190 HydrophobicContact CD2-CG 3.89Å; F178-F190 AromaticContact CD2-CZ 3.79Å; F178-F190 HydrophobicContact CD2-CZ 3.79Å; F178-F190 AromaticContact CE2-CD1 3.83Å; F178-F190 HydrophobicContact CE2-CD1 3.83Å; F178-F190 HydrophobicContact CE2-CD2 4.32Å; F178-F190 HydrophobicContact CE2-CE1 4Å; F178-F190 HydrophobicContact CE2-CE2 4.46Å; F178-F190 AromaticContact CE2-CG 4Å; F178-F190 HydrophobicContact CE2-CG 4Å; F178-F190 HydrophobicContact CE2-CZ 4.32Å; F178-F190 HydrophobicContact CG-CD2 4.49Å; F178-F190 HydrophobicContact CG-CE2 4.49Å; S181-F190 WeakPolarHBondContact CA-O 3.44Å; S181-F190 WeakPolarHBondContact CB-O 3.46Å; S181-F190 PolarHBondContact N-O 2.98Å; S181-F190 PolarHBondContact OG-O 2.85Å; F190-L194 HydrophobicContact CB-CD2 4.03Å; F190-L216 HydrophobicContact CE1-CD2 3.96Å; F190-L216 HydrophobicContact CZ-CB 3.97Å; F190-L216 HydrophobicContact CZ-CD2 4.11Å; F190-L216 HydrophobicContact CZ-CG 4.35Å; F190-W218 HydrophobicContact CE1-CH2 4.43Å; F190-W218 HydrophobicContact CE1-CZ3 4.02Å; F190-W218 HydrophobicContact CZ-CZ3 4.23Å
191	G	95.9	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.			trans	-67.8	-177.1	-171	0	0	0	0	0	116	V159 S181 I193	V159-G191 VanDerWaalsContact O-CA 3.28Å; V159-G191 WeakPolarHBondContact O-CA 3.49Å; V159-G191 PolarHBondContact O-N 3.28Å; S181-G191 PolarHBondContact N-O 3.21Å; S181-G191 CarbonylContact O-C 3.58Å; S181-G191 VanDerWaalsContact O-CA 3.24Å; S181-G191 WeakPolarHBondContact O-CA 3.32Å; G191-I193 PolarHBondContact O-N 2.98Å; G191-I193 VanDerWaalsContact O-N 3.14Å
192	G	96.6	Very high	95.5	Very high	1 Å²	1	27 Å²	27	1%	0.01	13%	0.134	C	C	.	.	S	Bend	trans	-61.5	-23.7	-173.2	0	0	0	0	0	115.2	T180 S181 S474 G475	T180-G192 VanDerWaalsContact CG2-O 3.22Å; T180-G192 WeakPolarHBondContact CG2-O 3.49Å; S181-G192 PolarHBondContact O-N 3.42Å; G192-S474 CarbonylContact O-C 3.21Å; G192-S474 WeakPolarHBondContact O-CA 3.44Å; G192-S474 WeakPolarHBondContact O-CB 3.48Å; G192-G475 PolarHBondContact O-N 2.88Å
193	I	98.2	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-116.6	120.1	179.6	-58	169.2	0	0	0	109.7	V159 G191 G475 F485 I510 L513 Y515	V159-I193 HydrophobicContact CG1-CB 4.32Å; V159-I193 HydrophobicContact CG2-CB 4.3Å; V159-I193 PolarHBondContact N-O 2.93Å; G191-I193 PolarHBondContact O-N 2.98Å; G191-I193 VanDerWaalsContact O-N 3.14Å; I193-G475 WeakPolarHBondContact CA-O 3.07Å; I193-F485 HydrophobicContact CD1-CB 4.04Å; I193-F485 HydrophobicContact CD1-CD1 4.42Å; I193-I510 HydrophobicContact CD1-CD1 3.89Å; I193-I510 HydrophobicContact CD1-CG1 4.14Å; I193-I510 HydrophobicContact CD1-CG2 4.4Å; I193-I510 HydrophobicContact CG2-CG1 4.49Å; I193-L513 HydrophobicContact CG2-CD1 4.41Å; I193-Y515 HydrophobicContact CG2-CD2 3.71Å; I193-Y515 HydrophobicContact CG2-CE2 3.8Å; I193-Y515 HydrophobicContact CG2-CG 4.34Å
194	L	97.2	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.5	175.8	67.8	83.9	0	0	0	113.7	G157 A158 F178 V179 T180 F190 G475 Y476	G157-L194 WeakPolarHBondContact O-CA 3.38Å; G157-L194 WeakPolarHBondContact O-CB 3.43Å; A158-L194 HydrophobicContact CB-CB 3.56Å; A158-L194 HydrophobicContact CB-CD2 4.43Å; F178-L194 HydrophobicContact CD1-CD1 3.96Å; F178-L194 HydrophobicContact CE1-CB 4.4Å; F178-L194 HydrophobicContact CE1-CD1 3.67Å; F178-L194 HydrophobicContact CE1-CD2 4.47Å; F178-L194 HydrophobicContact CE1-CG 4.41Å; F178-L194 HydrophobicContact CZ-CB 4.34Å; F178-L194 HydrophobicContact CZ-CD1 4.41Å; V179-L194 VanDerWaalsContact C-CD2 3.41Å; T180-L194 HydrophobicContact CG2-CD2 3.85Å; T180-L194 HydrophobicContact CG2-CG 3.75Å; F190-L194 HydrophobicContact CB-CD2 4.03Å; L194-G475 PolarHBondContact N-O 3.15Å; L194-G475 VanDerWaalsContact N-O 3.1Å; L194-Y476 HydrophobicContact CD1-CD2 3.62Å; L194-Y476 HydrophobicContact CD1-CE2 3.88Å
195	E	98.1	Very high	95.9	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.3	162.9	-72.7	-68.9	145.1	0	0	109.3	G157 Y197 K207 Q477 Q479 L513 Y515	G157-E195 CarbonylContact C-O 3.54Å; G157-E195 WeakPolarHBondContact CA-O 3.38Å; G157-E195 PolarHBondContact O-N 3.11Å; E195-Y197 PolarHBondContact O-N 3.3Å; E195-K207 IonicContact OE2-NZ 3.62Å; E195-K207 PolarHBondContact OE2-NZ 3.1Å; E195-Q477 WeakPolarHBondContact OE1-CA 3.4Å; E195-Q477 PolarHBondContact OE1-N 2.67Å; E195-Q479 VanDerWaalsContact CG-NE2 3.3Å; E195-Q479 PolarHBondContact OE1-NE2 2.96Å; E195-L513 HydrophobicContact CB-CD2 3.77Å; E195-L513 HydrophobicContact CG-CB 4.36Å; E195-L513 HydrophobicContact CG-CD2 4.39Å; E195-Y515 HydrophobicContact CG-CE2 4.29Å; E195-Y515 PolarHBondContact OE1-OH 3.11Å; E195-Y515 VanDerWaalsContact OE1-OH 3.13Å
196	S	97.5	Very high	96.4	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.063	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	56.3	172.3	-45.7	0	0	0	0	111.6	F178 W198 K207 I208	F178-S196 WeakPolarHBondContact CD1-OG 3.32Å; S196-W198 VanDerWaalsContact C-CZ3 3.4Å; S196-K207 CarbonylContact O-C 3.59Å; S196-K207 WeakPolarHBondContact O-CA 3.4Å; S196-I208 PolarHBondContact O-N 3.24Å
197	Y	98.5	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.1	-177.1	170.2	-104.1	0	0	0	110.4	G157 E195 L199 A205 I206 K207 H262 M265 F270	G157-Y197 PolarHBondContact N-O 2.86Å; E195-Y197 PolarHBondContact O-N 3.3Å; Y197-L199 HydrophobicContact CE1-CB 4.22Å; Y197-A205 HydrophobicContact CE2-CB 4.01Å; Y197-I206 VanDerWaalsContact CA-O 3.26Å; Y197-I206 WeakPolarHBondContact CA-O 3.34Å; Y197-I206 WeakPolarHBondContact CD2-O 3.4Å; Y197-K207 HydrophobicContact CD2-CB 4.37Å; Y197-H262 AromaticContact CE1-ND1 3.87Å; Y197-H262 AromaticContact CZ-ND1 3.8Å; Y197-H262 PolarHBondContact OH-ND1 2.58Å; Y197-M265 HydrophobicContact CD2-CE 4.02Å; Y197-M265 HydrophobicContact CE2-CB 3.76Å; Y197-M265 HydrophobicContact CE2-CE 3.78Å; Y197-M265 HydrophobicContact CE2-CG 3.99Å; Y197-F270 HydrophobicContact CD1-CE1 4.44Å; Y197-F270 HydrophobicContact CD1-CE2 4.5Å; Y197-F270 AromaticContact CD1-CZ 3.62Å; Y197-F270 HydrophobicContact CD1-CZ 3.62Å; Y197-F270 HydrophobicContact CD2-CE1 4.25Å; Y197-F270 HydrophobicContact CD2-CZ 4.18Å; Y197-F270 HydrophobicContact CE1-CZ 4.11Å; Y197-F270 HydrophobicContact CG-CE1 4.02Å; Y197-F270 AromaticContact CG-CZ 3.65Å; Y197-F270 HydrophobicContact CG-CZ 3.65Å
198	W	98.4	Very high	96.9	Very high	5 Å²	5	14 Å²	14	2%	0.019	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.3	173.4	-68.2	-91.9	0	0	0	110.7	W154 Y155 F178 S196 A205 I206 I208 F214 L216 F227	W154-W198 HydrophobicContact CE3-CB 3.9Å; W154-W198 HydrophobicContact CZ3-CB 4.06Å; Y155-W198 CarbonylContact O-C 3.57Å; Y155-W198 VanDerWaalsContact O-CA 3.31Å; Y155-W198 WeakPolarHBondContact O-CA 3.28Å; F178-W198 AromaticContact CE1-CH2 3.98Å; F178-W198 HydrophobicContact CE1-CH2 3.98Å; F178-W198 HydrophobicContact CE1-CZ2 4.33Å; F178-W198 HydrophobicContact CE2-CH2 4.38Å; F178-W198 HydrophobicContact CE2-CZ2 4.08Å; F178-W198 AromaticContact CZ-CH2 3.89Å; F178-W198 HydrophobicContact CZ-CH2 3.89Å; F178-W198 AromaticContact CZ-CZ2 3.76Å; F178-W198 HydrophobicContact CZ-CZ2 3.76Å; S196-W198 VanDerWaalsContact C-CZ3 3.4Å; W198-A205 CarbonylContact O-C 3.56Å; W198-A205 VanDerWaalsContact O-CA 3.24Å; W198-A205 WeakPolarHBondContact O-CA 3.3Å; W198-I206 PolarHBondContact N-O 2.82Å; W198-I206 PolarHBondContact O-N 2.93Å; W198-I208 HydrophobicContact CZ3-CG1 3.95Å; W198-F214 AromaticContact CH2-CE1 3.76Å; W198-F214 HydrophobicContact CH2-CE1 3.76Å; W198-F214 HydrophobicContact CH2-CZ 4.09Å; W198-F214 HydrophobicContact CZ3-CE1 4.32Å; W198-F214 HydrophobicContact CZ3-CZ 4.39Å; W198-L216 HydrophobicContact CZ2-CD2 3.86Å; W198-F227 HydrophobicContact CE3-CZ 4.44Å
199	L	98.1	Very high	97.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.2	177.6	177.3	63	0	0	0	108.7	W154 Y155 Y197 T204 A205 V258 I261 H262 W608	W154-L199 CarbonylContact C-O 3.56Å; W154-L199 WeakPolarHBondContact CA-O 3.28Å; Y155-L199 HydrophobicContact CD2-CB 4.49Å; Y155-L199 HydrophobicContact CD2-CG 4.37Å; Y155-L199 PolarHBondContact N-O 3.22Å; Y155-L199 PolarHBondContact O-N 2.98Å; Y197-L199 HydrophobicContact CE1-CB 4.22Å; L199-T204 CarbonylContact C-O 3.56Å; L199-A205 HydrophobicContact CD1-CB 4.13Å; L199-V258 HydrophobicContact CD1-CG1 4.09Å; L199-V258 HydrophobicContact CD2-CG1 3.94Å; L199-V258 HydrophobicContact CG-CG1 3.97Å; L199-I261 HydrophobicContact CD1-CG2 3.5Å; L199-H262 HydrophobicContact CD1-CB 4.36Å; L199-H262 HydrophobicContact CD2-CB 3.81Å; L199-W608 HydrophobicContact CD2-CH2 3.49Å; L199-W608 VanDerWaalsContact CD2-CH2 3.49Å; L199-W608 HydrophobicContact CD2-CZ2 3.87Å; L199-W608 HydrophobicContact CD2-CZ3 4.39Å
200	S	97.3	Very high	97	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.5	179.4	65.1	0	0	0	0	113.6	H153 N202 A203 T204	H153-S200 CarbonylContact O-C 3.56Å; H153-S200 WeakPolarHBondContact O-CA 3.31Å; H153-S200 WeakPolarHBondContact O-CB 3.45Å; S200-N202 PolarHBondContact O-N 2.8Å; S200-N202 VanDerWaalsContact O-N 3.13Å; S200-N202 PolarHBondContact OG-OD1 3.07Å; S200-A203 PolarHBondContact O-N 2.98Å; S200-T204 PolarHBondContact N-O 2.96Å; S200-T204 WeakPolarHBondContact OG-CA 3.36Å; S200-T204 VanDerWaalsContact OG-CB 3.32Å; S200-T204 WeakPolarHBondContact OG-CB 3.25Å; S200-T204 PolarHBondContact OG-N 3.23Å; S200-T204 PolarHBondContact OG-O 3.39Å
201	S	96.6	Very high	96.9	Very high	9 Å²	9	11.3 Å²	11.3	6%	0.063	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.1	-179.7	65.2	0	0	0	0	114.8	H153 A203 V258 Y618	H153-S201 PolarHBondContact N-OG 3.12Å; H153-S201 PolarHBondContact O-N 3.29Å; S201-A203 VanDerWaalsContact C-N 3.32Å; S201-V258 VanDerWaalsContact O-CG2 3.27Å; S201-V258 WeakPolarHBondContact O-CG2 3.33Å; S201-Y618 VanDerWaalsContact CB-CD2 3.48Å; S201-Y618 PolarHBondContact O-OH 3.35Å
202	N	94.6	Very high	97	Very high	37 Å²	37	11.7 Å²	11.7	20%	0.198	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	24.9	175.3	75.3	14.7	0	0	0	113.5	V82 A152 S200 T204	V82-N202 HydrophobicContact CG1-CB 4.45Å; V82-N202 PolarHBondContact O-ND2 2.91Å; A152-N202 HydrophobicContact CB-CB 4.16Å; S200-N202 PolarHBondContact O-N 2.8Å; S200-N202 VanDerWaalsContact O-N 3.13Å; S200-N202 PolarHBondContact OG-OD1 3.07Å; N202-T204 PolarHBondContact O-N 2.92Å; N202-T204 VanDerWaalsContact OD1-CB 3.28Å; N202-T204 WeakPolarHBondContact OD1-CB 3.24Å; N202-T204 PolarHBondContact OD1-N 2.82Å; N202-T204 PolarHBondContact OD1-OG1 3.22Å
203	A	95.3	Very high	97	Very high	5 Å²	5	11.8 Å²	11.8	4%	0.041	7%	0.068	C	C	.	.	S	Bend	trans	61.7	22.5	-179	0	0	0	0	0	115.1	S200 S201 V254 G255 I261	S200-A203 PolarHBondContact O-N 2.98Å; S201-A203 VanDerWaalsContact C-N 3.32Å; A203-V254 WeakPolarHBondContact O-CA 3.47Å; A203-G255 PolarHBondContact O-N 3.04Å; A203-I261 HydrophobicContact CB-CG2 4.38Å
204	T	96.6	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.2	171.6	-52.5	0	0	0	0	110.9	F83 L199 S200 N202 V252 C253 V254	F83-T204 HydrophobicContact CB-CG2 4.28Å; F83-T204 HydrophobicContact CD2-CG2 3.88Å; F83-T204 HydrophobicContact CG-CG2 4.31Å; L199-T204 CarbonylContact C-O 3.56Å; S200-T204 PolarHBondContact N-O 2.96Å; S200-T204 WeakPolarHBondContact OG-CA 3.36Å; S200-T204 VanDerWaalsContact OG-CB 3.32Å; S200-T204 WeakPolarHBondContact OG-CB 3.25Å; S200-T204 PolarHBondContact OG-N 3.23Å; S200-T204 PolarHBondContact OG-O 3.39Å; N202-T204 PolarHBondContact O-N 2.92Å; N202-T204 VanDerWaalsContact OD1-CB 3.28Å; N202-T204 WeakPolarHBondContact OD1-CB 3.24Å; N202-T204 PolarHBondContact OD1-N 2.82Å; N202-T204 PolarHBondContact OD1-OG1 3.22Å; T204-V252 HydrophobicContact CG2-CG1 3.54Å; T204-C253 CarbonylContact C-O 3.49Å; T204-C253 WeakPolarHBondContact CA-O 3.49Å; T204-V254 HydrophobicContact CG2-CG2 4.2Å
205	A	97.9	Very high	97.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.3	173.5	0	0	0	0	0	111.6	Y197 W198 L199 V252 C253 I261 M265	Y197-A205 HydrophobicContact CE2-CB 4.01Å; W198-A205 CarbonylContact O-C 3.56Å; W198-A205 VanDerWaalsContact O-CA 3.24Å; W198-A205 WeakPolarHBondContact O-CA 3.3Å; L199-A205 HydrophobicContact CD1-CB 4.13Å; A205-V252 CarbonylContact O-C 3.49Å; A205-V252 WeakPolarHBondContact O-CA 2.97Å; A205-C253 PolarHBondContact N-O 3.28Å; A205-C253 PolarHBondContact O-N 3.08Å; A205-I261 HydrophobicContact CB-CG1 3.78Å; A205-M265 HydrophobicContact CB-CE 4.23Å; A205-M265 HydrophobicContact CB-CG 3.77Å; A205-M265 HydrophobicContact CB-SD 4.38Å
206	I	98.3	Very high	97.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.1	-179.1	-49.8	173	0	0	0	108.5	F83 M147 W154 Y197 W198 I208 F227 Y250 R251 V252	F83-I206 HydrophobicContact CE2-CD1 3.6Å; F83-I206 HydrophobicContact CE2-CG1 4.12Å; F83-I206 HydrophobicContact CZ-CD1 4.05Å; M147-I206 HydrophobicContact CE-CD1 4.46Å; M147-I206 HydrophobicContact SD-CD1 3.18Å; M147-I206 WeakPolarHBondContact SD-CD1 3.19Å; W154-I206 HydrophobicContact CH2-CD1 3.78Å; W154-I206 HydrophobicContact CH2-CG1 4.28Å; W154-I206 HydrophobicContact CZ3-CD1 3.68Å; W154-I206 HydrophobicContact CZ3-CG1 4.07Å; Y197-I206 VanDerWaalsContact CA-O 3.26Å; Y197-I206 WeakPolarHBondContact CA-O 3.34Å; Y197-I206 WeakPolarHBondContact CD2-O 3.4Å; W198-I206 PolarHBondContact N-O 2.82Å; W198-I206 PolarHBondContact O-N 2.93Å; I206-I208 HydrophobicContact CG2-CD1 4.28Å; I206-F227 HydrophobicContact CD1-CE2 4.02Å; I206-F227 HydrophobicContact CD1-CZ 4.2Å; I206-F227 HydrophobicContact CG2-CE2 4.26Å; I206-Y250 HydrophobicContact CG2-CD2 4.36Å; I206-R251 CarbonylContact C-O 3.6Å; I206-R251 VanDerWaalsContact CA-O 3.25Å; I206-R251 WeakPolarHBondContact CA-O 3.24Å; I206-V252 HydrophobicContact CG1-CG2 4.5Å
207	K	98.1	Very high	97.1	Very high	9 Å²	9	11.9 Å²	11.9	4%	0.039	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.5	161.2	-167.8	170.7	178.4	71.9	0	110.3	E195 S196 Y197 Y250 R251 M265 Y269 F270	E195-K207 IonicContact OE2-NZ 3.62Å; E195-K207 PolarHBondContact OE2-NZ 3.1Å; S196-K207 CarbonylContact O-C 3.59Å; S196-K207 WeakPolarHBondContact O-CA 3.4Å; Y197-K207 HydrophobicContact CD2-CB 4.37Å; K207-Y250 CarbonylContact O-C 3.48Å; K207-Y250 WeakPolarHBondContact O-CA 3.26Å; K207-R251 PolarHBondContact N-O 2.96Å; K207-R251 PolarHBondContact O-N 2.97Å; K207-M265 HydrophobicContact CB-CE 3.87Å; K207-Y269 HydrophobicContact CD-CG 4.48Å; K207-F270 HydrophobicContact CD-CE1 4.23Å
208	I	98.4	Very high	97.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144.6	169.7	-46.3	-61.8	0	0	0	108.2	S196 W198 I206 V212 F214 F227 Y250	S196-I208 PolarHBondContact O-N 3.24Å; W198-I208 HydrophobicContact CZ3-CG1 3.95Å; I206-I208 HydrophobicContact CG2-CD1 4.28Å; I208-V212 HydrophobicContact CG2-CB 3.84Å; I208-V212 HydrophobicContact CG2-CG1 4.08Å; I208-V212 HydrophobicContact CG2-CG2 3.86Å; I208-F214 HydrophobicContact CD1-CE2 4.06Å; I208-F214 HydrophobicContact CD1-CZ 4.33Å; I208-F214 HydrophobicContact CG1-CD2 4.24Å; I208-F214 HydrophobicContact CG1-CE1 4.24Å; I208-F214 HydrophobicContact CG1-CE2 3.91Å; I208-F214 HydrophobicContact CG1-CZ 3.93Å; I208-F214 HydrophobicContact CG2-CB 4.46Å; I208-F214 HydrophobicContact CG2-CD2 3.92Å; I208-F214 HydrophobicContact CG2-CE2 4.39Å; I208-F214 HydrophobicContact CG2-CG 4.11Å; I208-F227 HydrophobicContact CD1-CD2 3.97Å; I208-F227 HydrophobicContact CD1-CE2 4.24Å; I208-F227 HydrophobicContact CD1-CG 4.45Å; I208-Y250 HydrophobicContact CD1-CG 4.17Å
209	N	96.9	Very high	97	Very high	48 Å²	48	14.5 Å²	14.5	26%	0.257	8%	0.078	S	C	.	.			trans	-74.8	135.7	177.6	-165.1	22.2	0	0	0	110.5	S211 V212 S249	N209-S211 PolarHBondContact ND2-OG 2.84Å; N209-S211 VanDerWaalsContact ND2-OG 3.12Å; N209-S211 PolarHBondContact O-N 3.09Å; N209-V212 HydrophobicContact CB-CG2 4.27Å; N209-V212 WeakPolarHBondContact O-CB 3.34Å; N209-V212 WeakPolarHBondContact O-CG2 3.4Å; N209-V212 PolarHBondContact O-N 2.74Å; N209-S249 VanDerWaalsContact CB-O 3.26Å; N209-S249 WeakPolarHBondContact CB-O 3.3Å; N209-S249 PolarHBondContact N-O 3.5Å
210	N	93.3	Very high	96.9	Very high	62 Å²	62	16.2 Å²	16.2	33%	0.332	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.1	-174.9	-56.2	10.3	0	0	0	114.3	Q477	N210-Q477 PolarHBondContact ND2-NE2 3Å; N210-Q477 VanDerWaalsContact ND2-NE2 3.11Å; N210-Q477 PolarHBondContact ND2-OE1 2.98Å
211	S	92.9	Very high	96.8	Very high	48 Å²	48	22.1 Å²	22.1	34%	0.336	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.4	176.2	62.7	0	0	0	0	114.4	N209 R450	N209-S211 PolarHBondContact ND2-OG 2.84Å; N209-S211 VanDerWaalsContact ND2-OG 3.12Å; N209-S211 PolarHBondContact O-N 3.09Å; S211-R450 PolarHBondContact O-NH2 3.44Å
212	V	97.6	Very high	96.7	Very high	8 Å²	8	26.6 Å²	26.6	5%	0.048	14%	0.144	C	C	.	.	S	Bend	trans	-78.5	132.6	-178.7	175.9	0	0	0	0	109.5	I208 N209 F214 A229 L248 S249	I208-V212 HydrophobicContact CG2-CB 3.84Å; I208-V212 HydrophobicContact CG2-CG1 4.08Å; I208-V212 HydrophobicContact CG2-CG2 3.86Å; N209-V212 HydrophobicContact CB-CG2 4.27Å; N209-V212 WeakPolarHBondContact O-CB 3.34Å; N209-V212 WeakPolarHBondContact O-CG2 3.4Å; N209-V212 PolarHBondContact O-N 2.74Å; V212-F214 HydrophobicContact CB-CB 4.31Å; V212-F214 HydrophobicContact CG1-CB 3.86Å; V212-F214 HydrophobicContact CG1-CD2 4.23Å; V212-F214 PolarHBondContact O-N 2.88Å; V212-A229 HydrophobicContact CG1-CB 3.77Å; V212-L248 HydrophobicContact CG1-CD1 3.94Å; V212-S249 VanDerWaalsContact CG2-O 3.3Å; V212-S249 WeakPolarHBondContact CG2-O 3.44Å
213	P	97.4	Very high	96.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.013	15%	0.151	C	C	.	.			trans	-74.9	73.3	171	33.2	-36.3	0	0	0	110.1	H215 A229 R230 Y231 F236	P213-H215 PolarHBondContact O-CE1 3.44Å; P213-H215 PolarHBondContact O-ND1 2.91Å; P213-A229 HydrophobicContact CG-CB 4.14Å; P213-A229 WeakPolarHBondContact O-CA 3.41Å; P213-R230 WeakPolarHBondContact CB-O 3.42Å; P213-R230 PolarHBondContact O-N 3.47Å; P213-R230 VanDerWaalsContact O-N 3.1Å; P213-Y231 HydrophobicContact CB-CD1 3.86Å; P213-Y231 HydrophobicContact CB-CE1 3.64Å; P213-Y231 HydrophobicContact CG-CD1 4.14Å; P213-Y231 HydrophobicContact CG-CD2 4.41Å; P213-Y231 HydrophobicContact CG-CE1 3.8Å; P213-Y231 HydrophobicContact CG-CE2 4.11Å; P213-Y231 HydrophobicContact CG-CG 4.44Å; P213-F236 HydrophobicContact CB-CB 3.47Å; P213-F236 VanDerWaalsContact CB-CB 3.47Å; P213-F236 HydrophobicContact CB-CD1 4.08Å; P213-F236 HydrophobicContact CB-CD2 4.21Å; P213-F236 HydrophobicContact CB-CG 3.69Å
214	F	98.4	Very high	96.8	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.1	-156.3	-176.5	-116.5	0	0	0	113.6	F178 W198 I208 V212 L216 F227 F236	F178-F214 HydrophobicContact CB-CD1 3.48Å; F178-F214 VanDerWaalsContact CB-CD1 3.48Å; F178-F214 HydrophobicContact CB-CE1 3.83Å; F178-F214 HydrophobicContact CB-CG 4.45Å; F178-F214 AromaticContact CD1-CD1 3.72Å; F178-F214 HydrophobicContact CD1-CD1 3.72Å; F178-F214 AromaticContact CD1-CE1 3.82Å; F178-F214 HydrophobicContact CD1-CE1 3.82Å; F178-F214 HydrophobicContact CD2-CE1 4.36Å; F178-F214 HydrophobicContact CE1-CE1 4.48Å; F178-F214 AromaticContact CG-CD1 3.76Å; F178-F214 HydrophobicContact CG-CD1 3.76Å; F178-F214 AromaticContact CG-CE1 3.74Å; F178-F214 HydrophobicContact CG-CE1 3.74Å; F178-F214 PolarHBondContact N-O 3.18Å; W198-F214 AromaticContact CH2-CE1 3.76Å; W198-F214 HydrophobicContact CH2-CE1 3.76Å; W198-F214 HydrophobicContact CH2-CZ 4.09Å; W198-F214 HydrophobicContact CZ3-CE1 4.32Å; W198-F214 HydrophobicContact CZ3-CZ 4.39Å; I208-F214 HydrophobicContact CD1-CE2 4.06Å; I208-F214 HydrophobicContact CD1-CZ 4.33Å; I208-F214 HydrophobicContact CG1-CD2 4.24Å; I208-F214 HydrophobicContact CG1-CE1 4.24Å; I208-F214 HydrophobicContact CG1-CE2 3.91Å; I208-F214 HydrophobicContact CG1-CZ 3.93Å; I208-F214 HydrophobicContact CG2-CB 4.46Å; I208-F214 HydrophobicContact CG2-CD2 3.92Å; I208-F214 HydrophobicContact CG2-CE2 4.39Å; I208-F214 HydrophobicContact CG2-CG 4.11Å; V212-F214 HydrophobicContact CB-CB 4.31Å; V212-F214 HydrophobicContact CG1-CB 3.86Å; V212-F214 HydrophobicContact CG1-CD2 4.23Å; V212-F214 PolarHBondContact O-N 2.88Å; F214-L216 HydrophobicContact CE1-CB 4.21Å; F214-L216 HydrophobicContact CZ-CB 4.3Å; F214-L216 HydrophobicContact CZ-CD1 4.34Å; F214-F227 HydrophobicContact CE2-CB 3.88Å; F214-F227 HydrophobicContact CE2-CD1 4.15Å; F214-F227 HydrophobicContact CE2-CG 4.09Å; F214-F227 HydrophobicContact CZ-CB 4.5Å; F214-F227 AromaticContact CZ-CD1 3.9Å; F214-F227 HydrophobicContact CZ-CD1 3.9Å; F214-F227 HydrophobicContact CZ-CE1 4.46Å; F214-F227 HydrophobicContact CZ-CG 4.27Å; F214-F236 VanDerWaalsContact O-CE2 3.23Å; F214-F236 WeakPolarHBondContact O-CE2 3.41Å
215	H	98.5	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.1	176.8	-58.7	61.4	0	0	0	108.8	P175 K176 P213 Q228 R230 S234 F236	P175-H215 HydrophobicContact CB-CB 3.99Å; K176-H215 CarbonylContact O-C 3.54Å; K176-H215 WeakPolarHBondContact O-CA 3.26Å; K176-H215 VanDerWaalsContact O-CB 3.32Å; K176-H215 WeakPolarHBondContact O-CB 3.38Å; P213-H215 PolarHBondContact O-CE1 3.44Å; P213-H215 PolarHBondContact O-ND1 2.91Å; H215-Q228 HydrophobicContact CB-CB 4.24Å; H215-Q228 PolarHBondContact N-O 2.88Å; H215-Q228 PolarHBondContact O-N 2.8Å; H215-R230 PolarHBondContact CE1-O 3.21Å; H215-S234 PolarHBondContact CE1-OG 2.92Å; H215-S234 PolarHBondContact NE2-OG 3.04Å; H215-F236 AromaticContact CE1-CD2 3.72Å
216	L	98.3	Very high	96.9	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.047	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.6	179.8	-178.1	64.7	0	0	0	109.7	P175 K176 F178 F190 W198 F214 M225 F227	P175-L216 WeakPolarHBondContact CA-O 3.23Å; K176-L216 PolarHBondContact N-O 3.27Å; K176-L216 PolarHBondContact O-N 3.34Å; F178-L216 HydrophobicContact CB-CB 4.42Å; F178-L216 HydrophobicContact CD2-CB 3.81Å; F178-L216 HydrophobicContact CD2-CD2 3.73Å; F178-L216 HydrophobicContact CD2-CG 4.44Å; F178-L216 HydrophobicContact CE2-CD2 3.6Å; F178-L216 HydrophobicContact CG-CB 4.4Å; F190-L216 HydrophobicContact CE1-CD2 3.96Å; F190-L216 HydrophobicContact CZ-CB 3.97Å; F190-L216 HydrophobicContact CZ-CD2 4.11Å; F190-L216 HydrophobicContact CZ-CG 4.35Å; W198-L216 HydrophobicContact CZ2-CD2 3.86Å; F214-L216 HydrophobicContact CE1-CB 4.21Å; F214-L216 HydrophobicContact CZ-CB 4.3Å; F214-L216 HydrophobicContact CZ-CD1 4.34Å; L216-M225 HydrophobicContact CD1-CB 4.47Å; L216-M225 HydrophobicContact CD1-SD 4.28Å; L216-F227 HydrophobicContact CD1-CD1 3.72Å; L216-F227 HydrophobicContact CD1-CE1 3.68Å
217	G	97.9	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	177.6	169.7	0	0	0	0	0	110.6	Q173 M225 Y226	Q173-G217 CarbonylContact O-C 3.51Å; Q173-G217 WeakPolarHBondContact O-CA 3.36Å; G217-M225 CarbonylContact O-C 3.48Å; G217-M225 WeakPolarHBondContact O-CA 3.49Å; G217-Y226 PolarHBondContact N-O 3.49Å; G217-Y226 VanDerWaalsContact N-O 3.09Å; G217-Y226 PolarHBondContact O-N 2.64Å
218	W	97.8	Very high	96.9	Very high	50 Å²	50	30.6 Å²	30.6	19%	0.189	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	164.1	179.3	56.2	85.8	0	0	0	112.9	I169 S170 Q172 Q173 F190 T224 M225	I169-W218 HydrophobicContact CG2-CB 3.87Å; I169-W218 HydrophobicContact CG2-CD2 4.04Å; I169-W218 HydrophobicContact CG2-CG 3.43Å; I169-W218 VanDerWaalsContact CG2-CG 3.43Å; S170-W218 PolarHBondContact O-NE1 3.08Å; Q172-W218 WeakPolarHBondContact CA-O 3.01Å; Q173-W218 HydrophobicContact CB-CD2 3.59Å; Q173-W218 HydrophobicContact CB-CE3 3.93Å; Q173-W218 HydrophobicContact CB-CG 4.14Å; Q173-W218 HydrophobicContact CB-CH2 3.91Å; Q173-W218 HydrophobicContact CB-CZ2 3.56Å; Q173-W218 HydrophobicContact CB-CZ3 4.08Å; Q173-W218 HydrophobicContact CG-CD2 4.29Å; Q173-W218 HydrophobicContact CG-CE3 4.13Å; Q173-W218 HydrophobicContact CG-CH2 3.77Å; Q173-W218 HydrophobicContact CG-CZ2 3.94Å; Q173-W218 HydrophobicContact CG-CZ3 3.86Å; Q173-W218 PolarHBondContact N-O 3.4Å; Q173-W218 PolarHBondContact O-N 3.05Å; F190-W218 HydrophobicContact CE1-CH2 4.43Å; F190-W218 HydrophobicContact CE1-CZ3 4.02Å; F190-W218 HydrophobicContact CZ-CZ3 4.23Å; W218-T224 CarbonylContact C-O 3.58Å; W218-T224 VanDerWaalsContact CA-O 3.25Å; W218-T224 WeakPolarHBondContact CA-O 3.42Å; W218-T224 WeakPolarHBondContact CB-O 3.3Å; W218-M225 HydrophobicContact CB-CG 4.32Å
219	N	97.1	Very high	96.9	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.053	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	111.4	167	178.8	-10.4	0	0	0	108.4	Q172 T221 E222 K223 T224 Y226	Q172-N219 HydrophobicContact CG-CB 4.28Å; Q172-N219 PolarHBondContact NE2-ND2 3.44Å; Q172-N219 PolarHBondContact NE2-OD1 3.17Å; N219-T221 WeakPolarHBondContact OD1-CB 3.5Å; N219-T221 PolarHBondContact OD1-N 2.61Å; N219-T221 VanDerWaalsContact OD1-N 3.13Å; N219-E222 HydrophobicContact CB-CB 4.16Å; N219-E222 WeakPolarHBondContact ND2-CG 3.47Å; N219-E222 PolarHBondContact ND2-OE1 3.11Å; N219-E222 CarbonylContact O-C 3.54Å; N219-E222 PolarHBondContact O-N 3.08Å; N219-E222 PolarHBondContact OD1-N 3.04Å; N219-K223 PolarHBondContact O-N 3.47Å; N219-T224 PolarHBondContact N-O 2.82Å; N219-T224 PolarHBondContact O-N 3.5Å; N219-T224 VanDerWaalsContact O-N 3.1Å; N219-Y226 HydrophobicContact CB-CE2 3.92Å; N219-Y226 VanDerWaalsContact CB-OH 3.29Å; N219-Y226 WeakPolarHBondContact CB-OH 3.07Å
220	D	95.5	Very high	96.9	Very high	37 Å²	37	30.3 Å²	30.3	20%	0.198	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.4	-176.3	-170.6	54.8	0	0	0	113.1	Y149 I169 G171 E222 K223	Y149-D220 WeakPolarHBondContact OH-CA 3.44Å; Y149-D220 PolarHBondContact OH-OD1 3.2Å; I169-D220 VanDerWaalsContact O-CG 3.23Å; I169-D220 VanDerWaalsContact O-OD1 3.11Å; G171-D220 WeakPolarHBondContact O-CB 3.41Å; G171-D220 PolarHBondContact O-N 2.92Å; D220-E222 PolarHBondContact O-N 3.48Å; D220-K223 WeakPolarHBondContact O-CD 3.43Å; D220-K223 WeakPolarHBondContact O-CE 3.46Å; D220-K223 WeakPolarHBondContact O-CG 3.5Å; D220-K223 PolarHBondContact O-N 2.9Å; D220-K223 WeakPolarHBondContact OD1-CD 3.37Å; D220-K223 WeakPolarHBondContact OD1-CE 3.4Å; D220-K223 IonicContact OD1-NZ 3.6Å; D220-K223 PolarHBondContact OD1-NZ 3.46Å; D220-K223 IonicContact OD2-NZ 3.81Å; D220-K223 PolarHBondContact OD2-NZ 2.89Å
221	T	95.3	Very high	97	Very high	124 Å²	124	28.8 Å²	28.8	76%	0.761	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.2	173.4	-47.9	0	0	0	0	111.5	N219	N219-T221 WeakPolarHBondContact OD1-CB 3.5Å; N219-T221 PolarHBondContact OD1-N 2.61Å; N219-T221 VanDerWaalsContact OD1-N 3.13Å
222	E	94.7	Very high	97	Very high	102 Å²	102	31.9 Å²	31.9	48%	0.477	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.9	176.6	-71.4	173.7	-160.5	0	0	113.4	N219 D220 T224 Y226	N219-E222 HydrophobicContact CB-CB 4.16Å; N219-E222 WeakPolarHBondContact ND2-CG 3.47Å; N219-E222 PolarHBondContact ND2-OE1 3.11Å; N219-E222 CarbonylContact O-C 3.54Å; N219-E222 PolarHBondContact O-N 3.08Å; N219-E222 PolarHBondContact OD1-N 3.04Å; D220-E222 PolarHBondContact O-N 3.48Å; E222-T224 PolarHBondContact O-N 3.45Å; E222-T224 PolarHBondContact O-OG1 3.39Å; E222-Y226 PolarHBondContact OE2-OH 3.45Å
223	K	95.8	Very high	96.8	Very high	79 Å²	79	36 Å²	36	34%	0.343	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.3	50.2	-170.5	-58.1	-68.2	166	-173	0	111.9	T148 Y149 K150 N219 D220	T148-K223 WeakPolarHBondContact CA-O 3.38Å; T148-K223 PolarHBondContact OG1-O 3Å; Y149-K223 VanDerWaalsContact CD1-C 3.44Å; Y149-K223 WeakPolarHBondContact CD1-O 3.32Å; Y149-K223 HydrophobicContact CD2-CB 4.28Å; Y149-K223 HydrophobicContact CE2-CB 3.98Å; Y149-K223 HydrophobicContact CE2-CD 3.67Å; Y149-K223 HydrophobicContact CE2-CG 4.42Å; Y149-K223 PolarHBondContact N-O 2.71Å; K150-K223 HydrophobicContact CB-CB 4.06Å; N219-K223 PolarHBondContact O-N 3.47Å; D220-K223 WeakPolarHBondContact O-CD 3.43Å; D220-K223 WeakPolarHBondContact O-CE 3.46Å; D220-K223 WeakPolarHBondContact O-CG 3.5Å; D220-K223 PolarHBondContact O-N 2.9Å; D220-K223 WeakPolarHBondContact OD1-CD 3.37Å; D220-K223 WeakPolarHBondContact OD1-CE 3.4Å; D220-K223 IonicContact OD1-NZ 3.6Å; D220-K223 PolarHBondContact OD1-NZ 3.46Å; D220-K223 IonicContact OD2-NZ 3.81Å; D220-K223 PolarHBondContact OD2-NZ 2.89Å
224	T	96.9	Very high	96.6	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.3	-171.1	-68.1	0	0	0	0	111.8	A146 M147 W218 N219 E222 Y226	A146-T224 HydrophobicContact CB-CG2 3.63Å; M147-T224 CarbonylContact O-C 3.53Å; M147-T224 VanDerWaalsContact O-CA 3.28Å; M147-T224 WeakPolarHBondContact O-CA 3.29Å; W218-T224 CarbonylContact C-O 3.58Å; W218-T224 VanDerWaalsContact CA-O 3.25Å; W218-T224 WeakPolarHBondContact CA-O 3.42Å; W218-T224 WeakPolarHBondContact CB-O 3.3Å; N219-T224 PolarHBondContact N-O 2.82Å; N219-T224 PolarHBondContact O-N 3.5Å; N219-T224 VanDerWaalsContact O-N 3.1Å; E222-T224 PolarHBondContact O-N 3.45Å; E222-T224 PolarHBondContact O-OG1 3.39Å; T224-Y226 HydrophobicContact CG2-CD1 3.93Å; T224-Y226 HydrophobicContact CG2-CE1 3.54Å
225	M	97.6	Very high	96.4	Very high	5 Å²	5	37 Å²	37	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139	165.6	-82.4	-174.1	-99	0	0	110	A146 M147 Y149 I169 L216 G217 W218 F227	A146-M225 WeakPolarHBondContact CA-O 3.03Å; M147-M225 HydrophobicContact CE-CE 3.56Å; M147-M225 PolarHBondContact N-O 3.13Å; M147-M225 PolarHBondContact O-N 2.87Å; Y149-M225 HydrophobicContact CD1-CE 4.05Å; Y149-M225 HydrophobicContact CD1-CG 4.02Å; Y149-M225 HydrophobicContact CE1-CG 4.26Å; Y149-M225 HydrophobicContact CG-CE 4.34Å; I169-M225 HydrophobicContact CD1-CE 3.93Å; I169-M225 HydrophobicContact CD1-CG 3.92Å; I169-M225 HydrophobicContact CD1-SD 4.02Å; L216-M225 HydrophobicContact CD1-CB 4.47Å; L216-M225 HydrophobicContact CD1-SD 4.28Å; G217-M225 CarbonylContact O-C 3.48Å; G217-M225 WeakPolarHBondContact O-CA 3.49Å; W218-M225 HydrophobicContact CB-CG 4.32Å; M225-F227 HydrophobicContact CB-CE1 4.02Å; M225-F227 HydrophobicContact SD-CE1 4.34Å
226	Y	98.3	Very high	96.2	Very high	21 Å²	21	37.6 Å²	37.6	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.1	178.1	-55.9	-56.8	0	0	0	109.5	A146 G217 N219 E222 T224	A146-Y226 HydrophobicContact CB-CD1 4.04Å; A146-Y226 HydrophobicContact CB-CE1 4.17Å; G217-Y226 PolarHBondContact N-O 3.49Å; G217-Y226 VanDerWaalsContact N-O 3.09Å; G217-Y226 PolarHBondContact O-N 2.64Å; N219-Y226 HydrophobicContact CB-CE2 3.92Å; N219-Y226 VanDerWaalsContact CB-OH 3.29Å; N219-Y226 WeakPolarHBondContact CB-OH 3.07Å; E222-Y226 PolarHBondContact OE2-OH 3.45Å; T224-Y226 HydrophobicContact CG2-CD1 3.93Å; T224-Y226 HydrophobicContact CG2-CE1 3.54Å
227	F	98.6	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.2	175.4	-67.4	-8.6	0	0	0	107.9	M85 E144 H145 M147 W198 I206 I208 F214 L216 M225 L248	M85-F227 HydrophobicContact CE-CD2 3.8Å; M85-F227 HydrophobicContact CE-CE2 3.91Å; E144-F227 WeakPolarHBondContact CA-O 3.28Å; H145-F227 PolarHBondContact N-O 3.07Å; H145-F227 PolarHBondContact O-N 3.31Å; M147-F227 HydrophobicContact CB-CE2 4.26Å; M147-F227 HydrophobicContact CB-CZ 4.37Å; M147-F227 HydrophobicContact SD-CE2 3.94Å; M147-F227 HydrophobicContact SD-CZ 3.75Å; W198-F227 HydrophobicContact CE3-CZ 4.44Å; I206-F227 HydrophobicContact CD1-CE2 4.02Å; I206-F227 HydrophobicContact CD1-CZ 4.2Å; I206-F227 HydrophobicContact CG2-CE2 4.26Å; I208-F227 HydrophobicContact CD1-CD2 3.97Å; I208-F227 HydrophobicContact CD1-CE2 4.24Å; I208-F227 HydrophobicContact CD1-CG 4.45Å; F214-F227 HydrophobicContact CE2-CB 3.88Å; F214-F227 HydrophobicContact CE2-CD1 4.15Å; F214-F227 HydrophobicContact CE2-CG 4.09Å; F214-F227 HydrophobicContact CZ-CB 4.5Å; F214-F227 AromaticContact CZ-CD1 3.9Å; F214-F227 HydrophobicContact CZ-CD1 3.9Å; F214-F227 HydrophobicContact CZ-CE1 4.46Å; F214-F227 HydrophobicContact CZ-CG 4.27Å; L216-F227 HydrophobicContact CD1-CD1 3.72Å; L216-F227 HydrophobicContact CD1-CE1 3.68Å; M225-F227 HydrophobicContact CB-CE1 4.02Å; M225-F227 HydrophobicContact SD-CE1 4.34Å; F227-L248 HydrophobicContact CB-CD2 4.38Å; F227-L248 VanDerWaalsContact O-CD2 3.26Å; F227-L248 WeakPolarHBondContact O-CD2 3.27Å
228	Q	98.6	Very high	95.8	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.7	-174.5	-169.9	-172.4	98	0	0	111.5	P142 V143 E144 P175 H215	P142-Q228 HydrophobicContact CB-CG 3.99Å; V143-Q228 CarbonylContact O-C 3.56Å; V143-Q228 VanDerWaalsContact O-CA 3.29Å; V143-Q228 WeakPolarHBondContact O-CA 3.47Å; E144-Q228 HydrophobicContact CB-CB 4.4Å; E144-Q228 HydrophobicContact CB-CG 4.13Å; E144-Q228 HydrophobicContact CG-CB 4.35Å; E144-Q228 HydrophobicContact CG-CG 4.49Å; E144-Q228 PolarHBondContact OE2-NE2 2.94Å; P175-Q228 HydrophobicContact CB-CB 3.92Å; P175-Q228 HydrophobicContact CG-CB 4.31Å; H215-Q228 HydrophobicContact CB-CB 4.24Å; H215-Q228 PolarHBondContact N-O 2.88Å; H215-Q228 PolarHBondContact O-N 2.8Å
229	A	98.4	Very high	95.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.3	168	0	0	0	0	0	109.2	P142 V143 V212 P213 A246 E247 L248	P142-A229 WeakPolarHBondContact CA-O 3.18Å; V143-A229 HydrophobicContact CB-CB 4.35Å; V143-A229 PolarHBondContact N-O 2.89Å; V143-A229 PolarHBondContact O-N 2.76Å; V212-A229 HydrophobicContact CG1-CB 3.77Å; P213-A229 HydrophobicContact CG-CB 4.14Å; P213-A229 WeakPolarHBondContact O-CA 3.41Å; A229-A246 HydrophobicContact CB-CB 4.37Å; A229-A246 WeakPolarHBondContact O-CB 3.4Å; A229-E247 VanDerWaalsContact CB-O 3.24Å; A229-E247 WeakPolarHBondContact CB-O 3.36Å; A229-L248 HydrophobicContact CB-CB 3.92Å; A229-L248 HydrophobicContact CB-CD1 4.43Å
230	R	96.8	Very high	95	Very high	43 Å²	43	45 Å²	45	16%	0.162	24%	0.235	C	C	.	.			trans	-152.2	134.6	-174.5	-168.6	179.1	77.2	-138.2	12.3	112.4	P142 P175 P213 H215 H232 D233 S234	P142-R230 HydrophobicContact CB-CB 4.15Å; P142-R230 HydrophobicContact CB-CG 4.06Å; P175-R230 PolarHBondContact O-NH1 2.83Å; P213-R230 WeakPolarHBondContact CB-O 3.42Å; P213-R230 PolarHBondContact O-N 3.47Å; P213-R230 VanDerWaalsContact O-N 3.1Å; H215-R230 PolarHBondContact CE1-O 3.21Å; R230-H232 VanDerWaalsContact CD-O 3.26Å; R230-H232 WeakPolarHBondContact CD-O 3.48Å; R230-H232 HydrophobicContact CG-CB 4.39Å; R230-H232 VanDerWaalsContact CG-O 3.3Å; R230-H232 WeakPolarHBondContact CG-O 3.28Å; R230-H232 PolarHBondContact NE-O 3.43Å; R230-D233 PolarHBondContact NH2-O 3.36Å; R230-S234 PolarHBondContact O-OG 3.14Å
231	Y	95.4	Very high	94.8	Very high	29 Å²	29	47.7 Å²	47.7	11%	0.114	27%	0.27	C	S	.	.			trans	-102.8	-26.3	169.3	-67.5	-64.8	0	0	0	113.3	P213 F236 K237 P238 P244 C245	P213-Y231 HydrophobicContact CB-CD1 3.86Å; P213-Y231 HydrophobicContact CB-CE1 3.64Å; P213-Y231 HydrophobicContact CG-CD1 4.14Å; P213-Y231 HydrophobicContact CG-CD2 4.41Å; P213-Y231 HydrophobicContact CG-CE1 3.8Å; P213-Y231 HydrophobicContact CG-CE2 4.11Å; P213-Y231 HydrophobicContact CG-CG 4.44Å; Y231-F236 HydrophobicContact CD1-CB 4.23Å; Y231-F236 HydrophobicContact CE1-CB 4.45Å; Y231-K237 WeakPolarHBondContact CE1-O 3.43Å; Y231-P238 HydrophobicContact CE1-CB 4.46Å; Y231-P238 HydrophobicContact CE2-CB 4.43Å; Y231-P244 HydrophobicContact CD2-CB 4Å; Y231-P244 HydrophobicContact CG-CB 4.21Å; Y231-C245 WeakPolarHBondContact CE2-O 3.23Å
232	H	92.8	Very high	94.6	Very high	114 Å²	114	47 Å²	47	53%	0.528	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	135.3	174.8	179.6	-82.6	0	0	0	110.6	N140 R230 S234	N140-H232 HydrophobicContact CB-CB 4.25Å; R230-H232 VanDerWaalsContact CD-O 3.26Å; R230-H232 WeakPolarHBondContact CD-O 3.48Å; R230-H232 HydrophobicContact CG-CB 4.39Å; R230-H232 VanDerWaalsContact CG-O 3.3Å; R230-H232 WeakPolarHBondContact CG-O 3.28Å; R230-H232 PolarHBondContact NE-O 3.43Å; H232-S234 PolarHBondContact O-N 2.99Å
233	D	91.8	Very high	94.5	Very high	93 Å²	93	44.8 Å²	44.8	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.3	66.8	-175.8	-168.8	36.7	0	0	0	112.7	R230 W441	R230-D233 PolarHBondContact NH2-O 3.36Å; D233-W441 PolarHBondContact OD1-NE1 2.92Å; D233-W441 VanDerWaalsContact OD1-NE1 3.14Å
234	S	94.2	Very high	94.5	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	25%	0.252	C	S	.	.	S	Bend	trans	-159.2	148.7	-171.3	-169.2	0	0	0	0	110.6	H215 R230 H232 F236	H215-S234 PolarHBondContact CE1-OG 2.92Å; H215-S234 PolarHBondContact NE2-OG 3.04Å; R230-S234 PolarHBondContact O-OG 3.14Å; H232-S234 PolarHBondContact O-N 2.99Å; S234-F236 VanDerWaalsContact C-N 3.26Å; S234-F236 WeakPolarHBondContact OG-CD2 3.14Å; S234-F236 PolarHBondContact OG-N 2.87Å
235	P	93.5	Very high	94.4	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.091	26%	0.259	C	S	.	.	S	Bend	trans	-75.5	-13.3	171.3	31.8	-36.8	0	0	0	113.2	P177 W441 P452	P177-P235 HydrophobicContact CB-CG 3.98Å; P177-P235 HydrophobicContact CG-CG 4Å; P235-W441 HydrophobicContact CG-CZ3 4.43Å; P235-P452 HydrophobicContact CB-CB 4.34Å; P235-P452 HydrophobicContact CB-CG 4.02Å; P235-P452 HydrophobicContact CG-CG 4.04Å
236	F	95.3	Very high	94.3	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.048	26%	0.258	C	S	.	.			trans	-72.5	146.6	176.7	-68.9	-84.4	0	0	0	112.1	P177 V179 P213 F214 H215 Y231 S234 R450 D451	P177-F236 HydrophobicContact CB-CE2 4.1Å; V179-F236 HydrophobicContact CG1-CE2 4.2Å; V179-F236 HydrophobicContact CG1-CZ 4.03Å; P213-F236 HydrophobicContact CB-CB 3.47Å; P213-F236 VanDerWaalsContact CB-CB 3.47Å; P213-F236 HydrophobicContact CB-CD1 4.08Å; P213-F236 HydrophobicContact CB-CD2 4.21Å; P213-F236 HydrophobicContact CB-CG 3.69Å; F214-F236 VanDerWaalsContact O-CE2 3.23Å; F214-F236 WeakPolarHBondContact O-CE2 3.41Å; H215-F236 AromaticContact CE1-CD2 3.72Å; Y231-F236 HydrophobicContact CD1-CB 4.23Å; Y231-F236 HydrophobicContact CE1-CB 4.45Å; S234-F236 VanDerWaalsContact C-N 3.26Å; S234-F236 WeakPolarHBondContact OG-CD2 3.14Å; S234-F236 PolarHBondContact OG-N 2.87Å; F236-R450 CarbonylContact C-O 3.4Å; F236-R450 VanDerWaalsContact CA-O 3.31Å; F236-R450 WeakPolarHBondContact CA-O 3.26Å; F236-D451 HydrophobicContact CD1-CB 4.38Å; F236-D451 HydrophobicContact CE1-CB 4.18Å
237	K	93.1	Very high	94.2	Very high	46 Å²	46	44.3 Å²	44.3	20%	0.2	26%	0.263	C	S	.	.			trans	-130.2	143.3	-175.1	-60.3	171.8	-173.2	163.7	0	112.7	Y231 F443 R450	Y231-K237 WeakPolarHBondContact CE1-O 3.43Å; K237-F443 PolarHBondContact NZ-O 2.73Å; K237-R450 PolarHBondContact N-O 2.75Å; K237-R450 WeakPolarHBondContact O-CA 3.36Å; K237-R450 VanDerWaalsContact O-CB 3.3Å; K237-R450 WeakPolarHBondContact O-CB 3.3Å; K237-R450 WeakPolarHBondContact O-CG 3.46Å
238	P	93.6	Very high	94.2	Very high	30 Å²	30	44.3 Å²	44.3	20%	0.195	26%	0.263	C	S	.	.			trans	-68	177.1	169.5	31.5	-36.2	0	0	0	111.2	Y231 P244 H448	Y231-P238 HydrophobicContact CE1-CB 4.46Å; Y231-P238 HydrophobicContact CE2-CB 4.43Å; P238-P244 HydrophobicContact CG-CB 4.37Å; P238-H448 PolarHBondContact O-NE2 3.04Å
239	N	90.4	Very high	94.2	Very high	49 Å²	49	44.3 Å²	44.3	26%	0.262	27%	0.265	S	S	.	.			trans	-66.7	152.6	167.2	-65.5	-44.2	0	0	0	110.3	G241 E242 R450	N239-G241 PolarHBondContact O-N 2.88Å; N239-E242 HydrophobicContact CB-CB 4.22Å; N239-E242 VanDerWaalsContact CB-CD 3.48Å; N239-E242 HydrophobicContact CB-CG 4Å; N239-E242 WeakPolarHBondContact CB-OE2 3.48Å; N239-E242 PolarHBondContact ND2-OE1 2.82Å; N239-E242 PolarHBondContact ND2-OE2 3.32Å; N239-E242 PolarHBondContact O-N 2.97Å; N239-E242 VanDerWaalsContact O-N 3.09Å; N239-R450 VanDerWaalsContact OD1-CD 3.28Å; N239-R450 WeakPolarHBondContact OD1-CD 3.44Å
240	P	89.3	Confident	94.2	Very high	101 Å²	101	44.4 Å²	44.4	66%	0.656	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	125.2	173.7	-23.4	35.1	0	0	0	111.3	E242 H448	P240-E242 VanDerWaalsContact C-N 3.32Å; P240-E242 PolarHBondContact O-N 2.83Å; P240-H448 HydrophobicContact CG-CB 4.4Å
241	G	90.3	Very high	94.2	Very high	92 Å²	92	44.8 Å²	44.8	95%	0.948	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-7.9	-178.4	0	0	0	0	0	115.7	N239	N239-G241 PolarHBondContact O-N 2.88Å
242	E	91.9	Very high	94.3	Very high	110 Å²	110	43.4 Å²	43.4	51%	0.514	26%	0.261	S	S	.	.	S	Bend	trans	-86	147.7	171.8	-76.5	176.6	-161.6	0	0	111.9	N239 P240	N239-E242 HydrophobicContact CB-CB 4.22Å; N239-E242 VanDerWaalsContact CB-CD 3.48Å; N239-E242 HydrophobicContact CB-CG 4Å; N239-E242 WeakPolarHBondContact CB-OE2 3.48Å; N239-E242 PolarHBondContact ND2-OE1 2.82Å; N239-E242 PolarHBondContact ND2-OE2 3.32Å; N239-E242 PolarHBondContact O-N 2.97Å; N239-E242 VanDerWaalsContact O-N 3.09Å; P240-E242 VanDerWaalsContact C-N 3.32Å; P240-E242 PolarHBondContact O-N 2.83Å
243	A	92.9	Very high	94.5	Very high	55 Å²	55	38 Å²	38	46%	0.455	24%	0.236	S	C	.	.			trans	-69.1	147.7	170.8	0	0	0	0	0	110.8	P139 C245	P139-A243 HydrophobicContact CG-CB 4.12Å; A243-C245 PolarHBondContact O-N 2.85Å
244	P	94.3	Very high	94.7	Very high	35 Å²	35	34.4 Å²	34.4	23%	0.227	22%	0.217	C	C	.	.			trans	-76.1	57.4	178.9	32.6	-37	0	0	0	112.2	P139 N140 Y231 P238	P139-P244 HydrophobicContact CB-CG 4.1Å; N140-P244 PolarHBondContact N-O 2.65Å; N140-P244 VanDerWaalsContact OD1-CG 3.26Å; N140-P244 WeakPolarHBondContact OD1-CG 3.16Å; Y231-P244 HydrophobicContact CD2-CB 4Å; Y231-P244 HydrophobicContact CG-CB 4.21Å; P238-P244 HydrophobicContact CG-CB 4.37Å
245	C	94.9	Very high	94.6	Very high	36 Å²	36	34.3 Å²	34.3	24%	0.243	22%	0.219	C	C	.	.			trans	-83.3	120.3	175.6	-67	0	0	0	0	109.5	E136 Y231 A243	E136-C245 WeakPolarHBondContact O-CB 3Å; Y231-C245 WeakPolarHBondContact CE2-O 3.23Å; A243-C245 PolarHBondContact O-N 2.85Å
246	A	96	Very high	94.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	25%	0.249	C	C	.	.			trans	-77.9	139	-173.1	0	0	0	0	0	112.5	E136 I141 V143 A229	E136-A246 PolarHBondContact N-O 3.34Å; I141-A246 WeakPolarHBondContact O-CB 3.26Å; V143-A246 HydrophobicContact CG2-CB 4.04Å; V143-A246 WeakPolarHBondContact CG2-O 3.24Å; A229-A246 HydrophobicContact CB-CB 4.37Å; A229-A246 WeakPolarHBondContact O-CB 3.4Å
247	E	96.7	Very high	94.5	Very high	40 Å²	40	41.2 Å²	41.2	19%	0.187	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.6	171.4	178	-178	138.8	0	0	110.2	R133 W134 A229 S249	R133-E247 HydrophobicContact CG-CG 3.99Å; R133-E247 IonicContact CZ-OE1 3.27Å; R133-E247 IonicContact CZ-OE2 3.12Å; R133-E247 IonicContact NE-OE1 3.03Å; R133-E247 PolarHBondContact NE-OE1 2.71Å; R133-E247 VanDerWaalsContact NE-OE1 3.12Å; R133-E247 IonicContact NE-OE2 3.81Å; R133-E247 PolarHBondContact NE-OE2 3.35Å; R133-E247 IonicContact NH2-OE2 2.8Å; R133-E247 PolarHBondContact NH2-OE2 3.32Å; W134-E247 WeakPolarHBondContact O-CA 3.49Å; A229-E247 VanDerWaalsContact CB-O 3.24Å; A229-E247 WeakPolarHBondContact CB-O 3.36Å; E247-S249 VanDerWaalsContact OE1-CB 3.23Å; E247-S249 WeakPolarHBondContact OE1-CB 3.49Å
248	L	98.2	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.6	166.5	-176.5	54.3	0	0	0	109.1	R133 W134 V143 H145 V212 F227 A229 Y250	R133-L248 WeakPolarHBondContact CA-O 3.37Å; W134-L248 PolarHBondContact N-O 3.29Å; W134-L248 PolarHBondContact O-N 2.84Å; V143-L248 HydrophobicContact CB-CB 3.93Å; V143-L248 HydrophobicContact CG1-CB 3.48Å; V143-L248 VanDerWaalsContact CG1-CB 3.48Å; V143-L248 HydrophobicContact CG1-CD2 4.17Å; V143-L248 HydrophobicContact CG1-CG 4.47Å; H145-L248 HydrophobicContact CB-CD2 4.17Å; H145-L248 WeakPolarHBondContact ND1-CD2 3.38Å; V212-L248 HydrophobicContact CG1-CD1 3.94Å; F227-L248 HydrophobicContact CB-CD2 4.38Å; F227-L248 VanDerWaalsContact O-CD2 3.26Å; F227-L248 WeakPolarHBondContact O-CD2 3.27Å; A229-L248 HydrophobicContact CB-CB 3.92Å; A229-L248 HydrophobicContact CB-CD1 4.43Å; L248-Y250 HydrophobicContact CD1-CD1 4.33Å; L248-Y250 HydrophobicContact CG-CD1 4.03Å; L248-Y250 HydrophobicContact CG-CE1 4.15Å
249	S	98.3	Very high	94.8	Very high	15 Å²	15	38.2 Å²	38.2	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	-176.9	-174.9	0	0	0	0	110.6	V132 N209 V212 E247	V132-S249 WeakPolarHBondContact O-CA 3.12Å; N209-S249 VanDerWaalsContact CB-O 3.26Å; N209-S249 WeakPolarHBondContact CB-O 3.3Å; N209-S249 PolarHBondContact N-O 3.5Å; V212-S249 VanDerWaalsContact CG2-O 3.3Å; V212-S249 WeakPolarHBondContact CG2-O 3.44Å; E247-S249 VanDerWaalsContact OE1-CB 3.23Å; E247-S249 WeakPolarHBondContact OE1-CB 3.49Å
250	Y	98.4	Very high	95	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	171.2	-172.6	62.5	-78.3	0	0	0	111.4	Y72 M85 V132 H145 I206 K207 I208 L248 V252	Y72-Y250 WeakPolarHBondContact CE1-OH 3.37Å; Y72-Y250 WeakPolarHBondContact OH-CE2 3.33Å; Y72-Y250 PolarHBondContact OH-OH 2.83Å; M85-Y250 HydrophobicContact CE-CE2 4.12Å; V132-Y250 HydrophobicContact CB-CD1 4.22Å; V132-Y250 HydrophobicContact CB-CE1 3.71Å; V132-Y250 HydrophobicContact CB-CE2 4.12Å; V132-Y250 HydrophobicContact CG1-CE1 3.77Å; V132-Y250 HydrophobicContact CG2-CE2 4.09Å; V132-Y250 PolarHBondContact N-O 2.67Å; V132-Y250 PolarHBondContact O-N 2.8Å; H145-Y250 AromaticContact CE1-CE1 3.71Å; H145-Y250 AromaticContact ND1-CE1 3.4Å; H145-Y250 WeakPolarHBondContact ND1-CE1 3.11Å; H145-Y250 AromaticContact ND1-CZ 3.67Å; H145-Y250 PolarHBondContact ND1-OH 3.43Å; I206-Y250 HydrophobicContact CG2-CD2 4.36Å; K207-Y250 CarbonylContact O-C 3.48Å; K207-Y250 WeakPolarHBondContact O-CA 3.26Å; I208-Y250 HydrophobicContact CD1-CG 4.17Å; L248-Y250 HydrophobicContact CD1-CD1 4.33Å; L248-Y250 HydrophobicContact CG-CD1 4.03Å; L248-Y250 HydrophobicContact CG-CE1 4.15Å; Y250-V252 HydrophobicContact CD2-CG2 3.99Å; Y250-V252 HydrophobicContact CE2-CG2 3.82Å
251	R	97.4	Very high	95.3	Very high	51 Å²	51	32.7 Å²	32.7	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.2	176.4	-53.1	-173.2	-175.6	85.8	7.6	109.6	Y130 R131 I206 K207 Y269	Y130-R251 CarbonylContact O-C 3.6Å; Y130-R251 VanDerWaalsContact O-CA 3.26Å; Y130-R251 WeakPolarHBondContact O-CA 3.26Å; R131-R251 HydrophobicContact CG-CG 4.1Å; I206-R251 CarbonylContact C-O 3.6Å; I206-R251 VanDerWaalsContact CA-O 3.25Å; I206-R251 WeakPolarHBondContact CA-O 3.24Å; K207-R251 PolarHBondContact N-O 2.96Å; K207-R251 PolarHBondContact O-N 2.97Å; R251-Y269 WeakPolarHBondContact CD-OH 3.43Å
252	V	97.7	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.6	167.5	-172.5	0	0	0	0	106.6	I74 F83 C129 Y130 T204 A205 I206 Y250	I74-V252 HydrophobicContact CD1-CB 4.01Å; I74-V252 HydrophobicContact CD1-CG1 3.67Å; F83-V252 HydrophobicContact CD1-CG1 4Å; F83-V252 HydrophobicContact CD1-CG2 4.35Å; F83-V252 HydrophobicContact CD2-CG1 4.1Å; F83-V252 HydrophobicContact CE1-CB 4.39Å; F83-V252 HydrophobicContact CE1-CG1 4.04Å; F83-V252 HydrophobicContact CE1-CG2 3.63Å; F83-V252 HydrophobicContact CE2-CG1 4.16Å; F83-V252 HydrophobicContact CE2-CG2 4.41Å; F83-V252 HydrophobicContact CG-CG1 3.99Å; F83-V252 HydrophobicContact CZ-CG1 4.09Å; F83-V252 HydrophobicContact CZ-CG2 3.64Å; C129-V252 CarbonylContact C-O 3.47Å; C129-V252 WeakPolarHBondContact CA-O 3.36Å; Y130-V252 PolarHBondContact N-O 3.35Å; Y130-V252 PolarHBondContact O-N 3.19Å; T204-V252 HydrophobicContact CG2-CG1 3.54Å; A205-V252 CarbonylContact O-C 3.49Å; A205-V252 WeakPolarHBondContact O-CA 2.97Å; I206-V252 HydrophobicContact CG1-CG2 4.5Å; Y250-V252 HydrophobicContact CD2-CG2 3.99Å; Y250-V252 HydrophobicContact CE2-CG2 3.82Å
253	C	96.8	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.6	177.6	-61.4	0	0	0	0	109.6	V127 Q128 C129 T204 A205 I261 M265	V127-C253 HydrophobicContact CG1-CB 4.46Å; Q128-C253 CarbonylContact O-C 3.58Å; Q128-C253 VanDerWaalsContact O-CA 3.24Å; Q128-C253 WeakPolarHBondContact O-CA 3.27Å; C129-C253 HydrophobicContact CB-CB 4.13Å; C129-C253 WeakPolarHBondContact CB-SG 3.43Å; C129-C253 WeakPolarHBondContact SG-CB 3.35Å; C129-C253 CovalentContact SG-SG 2.04Å; C129-C253 PolarHBondContact SG-SG 3.43Å; T204-C253 CarbonylContact C-O 3.49Å; T204-C253 WeakPolarHBondContact CA-O 3.49Å; A205-C253 PolarHBondContact N-O 3.28Å; A205-C253 PolarHBondContact O-N 3.08Å; C253-I261 HydrophobicContact CB-CD1 3.77Å; C253-M265 HydrophobicContact CB-SD 4Å
254	V	95.3	Very high	96.1	Very high	17 Å²	17	24.5 Å²	24.5	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.7	178	-176.9	0	0	0	0	107.9	I74 V82 V127 Q128 A203 T204	I74-V254 HydrophobicContact CG2-CG2 3.94Å; V82-V254 HydrophobicContact CG2-CG1 4.21Å; V82-V254 HydrophobicContact CG2-CG2 4Å; V127-V254 WeakPolarHBondContact CA-O 3.42Å; Q128-V254 PolarHBondContact N-O 3.08Å; Q128-V254 PolarHBondContact O-N 2.89Å; A203-V254 WeakPolarHBondContact O-CA 3.47Å; T204-V254 HydrophobicContact CG2-CG2 4.2Å
255	G	93.1	Very high	96.3	Very high	15 Å²	15	22.9 Å²	22.9	16%	0.155	12%	0.123	C	C	.	.			trans	-110.7	-168.6	176	0	0	0	0	0	112.7	A203	A203-G255 PolarHBondContact O-N 3.04Å
256	L	91.1	Very high	96.3	Very high	139 Å²	139	21.2 Å²	21.2	73%	0.728	11%	0.112	S	C	*	.	S	Bend	trans	-73.9	-40.3	173.6	-180	64.8	0	0	0	111.8
257	D	94	Very high	96.3	Very high	32 Å²	32	26 Å²	26	17%	0.171	13%	0.129	C	C	.	.	S	Bend	trans	-152.3	167.4	-173.9	68.2	86.6	0	0	0	110.5	T259 S260 I261	D257-T259 VanDerWaalsContact C-N 3.31Å; D257-T259 PolarHBondContact O-N 2.77Å; D257-T259 WeakPolarHBondContact OD1-CA 3.4Å; D257-T259 VanDerWaalsContact OD1-CB 3.31Å; D257-T259 WeakPolarHBondContact OD1-CB 3.38Å; D257-T259 PolarHBondContact OD1-N 2.81Å; D257-S260 PolarHBondContact N-OG 2.73Å; D257-S260 PolarHBondContact O-N 2.97Å; D257-S260 PolarHBondContact O-OG 2.83Å; D257-S260 PolarHBondContact OD1-N 3.25Å; D257-S260 WeakPolarHBondContact OD2-CB 3.2Å; D257-S260 PolarHBondContact OD2-OG 3.28Å; D257-I261 WeakPolarHBondContact O-CG2 3.45Å; D257-I261 PolarHBondContact O-N 3.38Å; D257-I261 VanDerWaalsContact O-N 3.08Å
258	V	96	Very high	96.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-38	-174.4	-166	0	0	0	0	112.2	L199 S201 I261 H262 W608 Y618	L199-V258 HydrophobicContact CD1-CG1 4.09Å; L199-V258 HydrophobicContact CD2-CG1 3.94Å; L199-V258 HydrophobicContact CG-CG1 3.97Å; S201-V258 VanDerWaalsContact O-CG2 3.27Å; S201-V258 WeakPolarHBondContact O-CG2 3.33Å; V258-I261 VanDerWaalsContact O-CG2 3.31Å; V258-I261 WeakPolarHBondContact O-CG2 3.26Å; V258-H262 WeakPolarHBondContact O-CB 3.18Å; V258-H262 PolarHBondContact O-N 3.1Å; V258-W608 HydrophobicContact CB-CD2 4.43Å; V258-W608 HydrophobicContact CB-CE3 3.81Å; V258-W608 HydrophobicContact CB-CZ3 4.01Å; V258-W608 HydrophobicContact CG1-CD2 3.95Å; V258-W608 HydrophobicContact CG1-CE3 3.56Å; V258-W608 HydrophobicContact CG1-CH2 3.76Å; V258-W608 HydrophobicContact CG1-CZ2 4.04Å; V258-W608 HydrophobicContact CG1-CZ3 3.49Å; V258-W608 VanDerWaalsContact CG1-CZ3 3.49Å; V258-Y618 HydrophobicContact CG2-CE1 3.85Å
259	T	97.3	Very high	96	Very high	12 Å²	12	33.5 Å²	33.5	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-72.6	-49.8	-180	-62.9	0	0	0	0	110.4	D257 I261 H262 K263 W609 T612	D257-T259 VanDerWaalsContact C-N 3.31Å; D257-T259 PolarHBondContact O-N 2.77Å; D257-T259 WeakPolarHBondContact OD1-CA 3.4Å; D257-T259 VanDerWaalsContact OD1-CB 3.31Å; D257-T259 WeakPolarHBondContact OD1-CB 3.38Å; D257-T259 PolarHBondContact OD1-N 2.81Å; T259-I261 PolarHBondContact O-N 3.04Å; T259-H262 PolarHBondContact O-N 3.18Å; T259-K263 HydrophobicContact CG2-CD 4.13Å; T259-K263 HydrophobicContact CG2-CG 4.18Å; T259-K263 VanDerWaalsContact O-CB 3.32Å; T259-K263 WeakPolarHBondContact O-CB 3.36Å; T259-K263 VanDerWaalsContact O-CG 3.26Å; T259-K263 WeakPolarHBondContact O-CG 3.12Å; T259-K263 PolarHBondContact O-N 3.13Å; T259-W609 HydrophobicContact CG2-CD2 3.77Å; T259-W609 HydrophobicContact CG2-CE3 3.92Å; T259-W609 HydrophobicContact CG2-CG 4.37Å; T259-W609 HydrophobicContact CG2-CH2 4.17Å; T259-W609 HydrophobicContact CG2-CZ2 4.05Å; T259-W609 HydrophobicContact CG2-CZ3 4.11Å; T259-W609 VanDerWaalsContact OG1-CA 3.28Å; T259-W609 WeakPolarHBondContact OG1-CA 3.42Å; T259-W609 PolarHBondContact OG1-O 2.91Å; T259-T612 WeakPolarHBondContact OG1-CG2 3.44Å
260	S	95.6	Very high	95.9	Very high	34 Å²	34	33.6 Å²	33.6	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-37.4	-179.2	66.1	0	0	0	0	113.1	D257 Y264	D257-S260 PolarHBondContact N-OG 2.73Å; D257-S260 PolarHBondContact O-N 2.97Å; D257-S260 PolarHBondContact O-OG 2.83Å; D257-S260 PolarHBondContact OD1-N 3.25Å; D257-S260 WeakPolarHBondContact OD2-CB 3.2Å; D257-S260 PolarHBondContact OD2-OG 3.28Å; S260-Y264 WeakPolarHBondContact O-CB 3.36Å; S260-Y264 PolarHBondContact O-N 2.91Å
261	I	96.2	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-40.7	174.9	-167.7	56.9	0	0	0	111.8	V127 L199 A203 A205 C253 D257 V258 T259 Y264 M265	V127-I261 HydrophobicContact CG1-CD1 3.88Å; L199-I261 HydrophobicContact CD1-CG2 3.5Å; A203-I261 HydrophobicContact CB-CG2 4.38Å; A205-I261 HydrophobicContact CB-CG1 3.78Å; C253-I261 HydrophobicContact CB-CD1 3.77Å; D257-I261 WeakPolarHBondContact O-CG2 3.45Å; D257-I261 PolarHBondContact O-N 3.38Å; D257-I261 VanDerWaalsContact O-N 3.08Å; V258-I261 VanDerWaalsContact O-CG2 3.31Å; V258-I261 WeakPolarHBondContact O-CG2 3.26Å; T259-I261 PolarHBondContact O-N 3.04Å; I261-Y264 HydrophobicContact CD1-CD1 4.15Å; I261-Y264 PolarHBondContact O-N 2.91Å; I261-M265 HydrophobicContact CD1-CG 4.4Å; I261-M265 HydrophobicContact CG1-CG 4.41Å; I261-M265 VanDerWaalsContact O-CG 3.23Å; I261-M265 WeakPolarHBondContact O-CG 3.33Å; I261-M265 PolarHBondContact O-N 2.8Å
262	H	97.7	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-49.1	175.3	-176.7	71.9	0	0	0	111.2	Y197 L199 V258 T259 Y264 M265 V266 I512 W609	Y197-H262 AromaticContact CE1-ND1 3.87Å; Y197-H262 AromaticContact CZ-ND1 3.8Å; Y197-H262 PolarHBondContact OH-ND1 2.58Å; L199-H262 HydrophobicContact CD1-CB 4.36Å; L199-H262 HydrophobicContact CD2-CB 3.81Å; V258-H262 WeakPolarHBondContact O-CB 3.18Å; V258-H262 PolarHBondContact O-N 3.1Å; T259-H262 PolarHBondContact O-N 3.18Å; H262-Y264 VanDerWaalsContact C-N 3.25Å; H262-Y264 PolarHBondContact O-N 2.92Å; H262-M265 PolarHBondContact O-N 2.79Å; H262-V266 VanDerWaalsContact CE1-CG2 3.42Å; H262-V266 WeakPolarHBondContact CE1-CG2 3.39Å; H262-V266 VanDerWaalsContact NE2-CG2 3.31Å; H262-V266 WeakPolarHBondContact NE2-CG2 3.33Å; H262-V266 PolarHBondContact O-N 2.71Å; H262-I512 PolarHBondContact CE1-O 3.08Å; H262-W609 AromaticContact CD2-CZ3 3.59Å
263	K	97.1	Very high	95.4	Very high	57 Å²	57	38 Å²	38	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-53	-41.1	175.3	-76.3	-159.9	-175.6	-145.2	0	112.3	T259 R267 D601 W609	T259-K263 HydrophobicContact CG2-CD 4.13Å; T259-K263 HydrophobicContact CG2-CG 4.18Å; T259-K263 VanDerWaalsContact O-CB 3.32Å; T259-K263 WeakPolarHBondContact O-CB 3.36Å; T259-K263 VanDerWaalsContact O-CG 3.26Å; T259-K263 WeakPolarHBondContact O-CG 3.12Å; T259-K263 PolarHBondContact O-N 3.13Å; K263-R267 VanDerWaalsContact CA-NH1 3.26Å; K263-R267 WeakPolarHBondContact O-CB 3.38Å; K263-R267 WeakPolarHBondContact O-CD 3.26Å; K263-R267 VanDerWaalsContact O-CG 3.25Å; K263-R267 WeakPolarHBondContact O-CG 3.39Å; K263-R267 PolarHBondContact O-N 2.69Å; K263-R267 PolarHBondContact O-NH1 2.84Å; K263-D601 WeakPolarHBondContact CD-OD2 3.33Å; K263-D601 WeakPolarHBondContact CE-OD2 3.49Å; K263-D601 WeakPolarHBondContact CG-OD1 3.39Å; K263-D601 IonicContact NZ-OD2 2.68Å; K263-D601 PolarHBondContact NZ-OD2 2.97Å; K263-W609 HydrophobicContact CD-CH2 4.49Å; K263-W609 HydrophobicContact CD-CZ2 4.39Å; K263-W609 HydrophobicContact CG-CH2 3.9Å; K263-W609 HydrophobicContact CG-CZ2 4.29Å
264	Y	96.8	Very high	95.3	Very high	28 Å²	28	43.8 Å²	43.8	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-47.2	173.5	167.1	-96.1	0	0	0	112.5	P123 V127 S260 I261 H262 R268 Y269	P123-Y264 HydrophobicContact CB-CE2 3.98Å; P123-Y264 HydrophobicContact CG-CE2 3.77Å; P123-Y264 WeakPolarHBondContact CG-OH 3.41Å; V127-Y264 HydrophobicContact CG1-CD1 3.74Å; V127-Y264 HydrophobicContact CG1-CD2 4.41Å; V127-Y264 HydrophobicContact CG1-CE1 3.83Å; V127-Y264 HydrophobicContact CG1-CE2 4.5Å; V127-Y264 HydrophobicContact CG1-CG 4.05Å; V127-Y264 HydrophobicContact CG2-CD2 4.34Å; V127-Y264 HydrophobicContact CG2-CG 4.07Å; S260-Y264 WeakPolarHBondContact O-CB 3.36Å; S260-Y264 PolarHBondContact O-N 2.91Å; I261-Y264 HydrophobicContact CD1-CD1 4.15Å; I261-Y264 PolarHBondContact O-N 2.91Å; H262-Y264 VanDerWaalsContact C-N 3.25Å; H262-Y264 PolarHBondContact O-N 2.92Å; Y264-R268 HydrophobicContact CE2-CB 4.36Å; Y264-R268 HydrophobicContact CE2-CG 4.44Å; Y264-R268 VanDerWaalsContact O-CB 3.27Å; Y264-R268 WeakPolarHBondContact O-CB 3.43Å; Y264-R268 PolarHBondContact O-N 2.89Å; Y264-R268 VanDerWaalsContact O-N 3.11Å; Y264-Y269 HydrophobicContact CE1-CE2 4.08Å
265	M	97	Very high	95.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-45.2	-175	-71.2	-67.4	-75.3	0	0	112.2	Y197 A205 K207 C253 I261 H262 R268 Y269	Y197-M265 HydrophobicContact CD2-CE 4.02Å; Y197-M265 HydrophobicContact CE2-CB 3.76Å; Y197-M265 HydrophobicContact CE2-CE 3.78Å; Y197-M265 HydrophobicContact CE2-CG 3.99Å; A205-M265 HydrophobicContact CB-CE 4.23Å; A205-M265 HydrophobicContact CB-CG 3.77Å; A205-M265 HydrophobicContact CB-SD 4.38Å; K207-M265 HydrophobicContact CB-CE 3.87Å; C253-M265 HydrophobicContact CB-SD 4Å; I261-M265 HydrophobicContact CD1-CG 4.4Å; I261-M265 HydrophobicContact CG1-CG 4.41Å; I261-M265 VanDerWaalsContact O-CG 3.23Å; I261-M265 WeakPolarHBondContact O-CG 3.33Å; I261-M265 PolarHBondContact O-N 2.8Å; H262-M265 PolarHBondContact O-N 2.79Å; M265-R268 PolarHBondContact O-N 3.3Å; M265-Y269 HydrophobicContact CE-CD2 4Å; M265-Y269 HydrophobicContact CE-CE2 4.18Å; M265-Y269 WeakPolarHBondContact O-CB 3.29Å; M265-Y269 PolarHBondContact O-N 3.29Å; M265-Y269 HydrophobicContact SD-CD2 3.76Å; M265-Y269 HydrophobicContact SD-CE2 3.64Å
266	V	96.6	Very high	95.6	Very high	2 Å²	2	47 Å²	47	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-55.9	176.8	175.4	0	0	0	0	110.6	H262 R268 Y269 F270 G600	H262-V266 VanDerWaalsContact CE1-CG2 3.42Å; H262-V266 WeakPolarHBondContact CE1-CG2 3.39Å; H262-V266 VanDerWaalsContact NE2-CG2 3.31Å; H262-V266 WeakPolarHBondContact NE2-CG2 3.33Å; H262-V266 PolarHBondContact O-N 2.71Å; V266-R268 PolarHBondContact O-N 2.75Å; V266-Y269 PolarHBondContact O-N 3.34Å; V266-F270 HydrophobicContact CB-CD2 4.3Å; V266-F270 HydrophobicContact CG1-CB 4.2Å; V266-F270 HydrophobicContact CG1-CD2 4.14Å; V266-F270 HydrophobicContact CG1-CG 4.49Å; V266-F270 HydrophobicContact CG2-CD2 3.84Å; V266-F270 HydrophobicContact CG2-CE2 4.01Å; V266-F270 PolarHBondContact O-N 2.81Å; V266-G600 WeakPolarHBondContact CG1-O 3.23Å
267	R	95.2	Very high	95.9	Very high	100 Å²	100	40.6 Å²	40.6	38%	0.377	18%	0.181	S	C	.	.	H	α-helix	trans	-56.1	-26.5	-179.4	-74.4	172.1	-177.8	66.8	0.1	113.5	K263 T599 D601	K263-R267 VanDerWaalsContact CA-NH1 3.26Å; K263-R267 WeakPolarHBondContact O-CB 3.38Å; K263-R267 WeakPolarHBondContact O-CD 3.26Å; K263-R267 VanDerWaalsContact O-CG 3.25Å; K263-R267 WeakPolarHBondContact O-CG 3.39Å; K263-R267 PolarHBondContact O-N 2.69Å; K263-R267 PolarHBondContact O-NH1 2.84Å; R267-T599 VanDerWaalsContact CG-O 3.22Å; R267-T599 WeakPolarHBondContact CG-O 3.47Å; R267-D601 IonicContact CZ-OD1 3.15Å; R267-D601 VanDerWaalsContact CZ-OD1 3.24Å; R267-D601 IonicContact CZ-OD2 2.62Å; R267-D601 IonicContact NH1-OD1 2.83Å; R267-D601 PolarHBondContact NH1-OD1 3.21Å; R267-D601 IonicContact NH1-OD2 3.24Å; R267-D601 IonicContact NH2-OD1 3.78Å; R267-D601 PolarHBondContact NH2-OD1 2.82Å; R267-D601 IonicContact NH2-OD2 2.79Å; R267-D601 PolarHBondContact NH2-OD2 2.78Å
268	R	94.3	Very high	96.1	Very high	153 Å²	153	40.3 Å²	40.3	58%	0.577	18%	0.183	S	C	*	.	H	α-helix	trans	-98.4	-31.6	-174.8	-171.1	58.3	179.7	121.2	-15.7	115.1	Y264 M265 V266	Y264-R268 HydrophobicContact CE2-CB 4.36Å; Y264-R268 HydrophobicContact CE2-CG 4.44Å; Y264-R268 VanDerWaalsContact O-CB 3.27Å; Y264-R268 WeakPolarHBondContact O-CB 3.43Å; Y264-R268 PolarHBondContact O-N 2.89Å; Y264-R268 VanDerWaalsContact O-N 3.11Å; M265-R268 PolarHBondContact O-N 3.3Å; V266-R268 PolarHBondContact O-N 2.75Å
269	Y	94.4	Very high	96.2	Very high	46 Å²	46	46.2 Å²	46.2	18%	0.18	21%	0.209	C	C	.	.	H	α-helix	trans	-130.6	-10.1	-165.8	-59.9	-66.7	0	0	0	115.4	K207 R251 Y264 M265 V266	K207-Y269 HydrophobicContact CD-CG 4.48Å; R251-Y269 WeakPolarHBondContact CD-OH 3.43Å; Y264-Y269 HydrophobicContact CE1-CE2 4.08Å; M265-Y269 HydrophobicContact CE-CD2 4Å; M265-Y269 HydrophobicContact CE-CE2 4.18Å; M265-Y269 WeakPolarHBondContact O-CB 3.29Å; M265-Y269 PolarHBondContact O-N 3.29Å; M265-Y269 HydrophobicContact SD-CD2 3.76Å; M265-Y269 HydrophobicContact SD-CE2 3.64Å; V266-Y269 PolarHBondContact O-N 3.34Å
270	F	95.3	Very high	96.2	Very high	16 Å²	16	47 Å²	47	7%	0.07	21%	0.213	C	C	.	.	S	Bend	trans	-101	149.7	175.4	-69.9	10.4	0	0	0	109.5	Y197 K207 V266 I512 L513	Y197-F270 HydrophobicContact CD1-CE1 4.44Å; Y197-F270 HydrophobicContact CD1-CE2 4.5Å; Y197-F270 AromaticContact CD1-CZ 3.62Å; Y197-F270 HydrophobicContact CD1-CZ 3.62Å; Y197-F270 HydrophobicContact CD2-CE1 4.25Å; Y197-F270 HydrophobicContact CD2-CZ 4.18Å; Y197-F270 HydrophobicContact CE1-CZ 4.11Å; Y197-F270 HydrophobicContact CG-CE1 4.02Å; Y197-F270 AromaticContact CG-CZ 3.65Å; Y197-F270 HydrophobicContact CG-CZ 3.65Å; K207-F270 HydrophobicContact CD-CE1 4.23Å; V266-F270 HydrophobicContact CB-CD2 4.3Å; V266-F270 HydrophobicContact CG1-CB 4.2Å; V266-F270 HydrophobicContact CG1-CD2 4.14Å; V266-F270 HydrophobicContact CG1-CG 4.49Å; V266-F270 HydrophobicContact CG2-CD2 3.84Å; V266-F270 HydrophobicContact CG2-CE2 4.01Å; V266-F270 PolarHBondContact O-N 2.81Å; F270-I512 WeakPolarHBondContact CE2-O 3.49Å; F270-L513 VanDerWaalsContact CE2-C 3.45Å; F270-L513 WeakPolarHBondContact CE2-O 3.38Å
271	N	94.1	Very high	96.3	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	20%	0.202	S	C	.	.			trans	-71.4	160.5	164.7	-61.2	-38.2	0	0	0	109	Q477 Q479 N480	N271-Q477 PolarHBondContact ND2-O 3Å; N271-Q479 HydrophobicContact CB-CB 4.29Å; N271-Q479 VanDerWaalsContact O-CB 3.31Å; N271-Q479 WeakPolarHBondContact O-CB 3.24Å; N271-N480 HydrophobicContact CB-CB 3.93Å
272	K	94.4	Very high	96.4	Very high	64 Å²	64	45.3 Å²	45.3	28%	0.278	20%	0.202	S	C	.	.			trans	-121.8	147.4	172.8	-58.1	-168.6	-164.8	121.7	0	110.1	Q479 N480 L597 D598	K272-Q479 CarbonylContact C-O 3.52Å; K272-N480 VanDerWaalsContact O-CA 3.28Å; K272-N480 WeakPolarHBondContact O-CA 3.25Å; K272-L597 VanDerWaalsContact CD-O 3.24Å; K272-L597 WeakPolarHBondContact CD-O 3.28Å; K272-D598 WeakPolarHBondContact CE-O 3.47Å; K272-D598 PolarHBondContact NZ-O 2.85Å
273	P	95.8	Very high	96.5	Very high	9 Å²	9	47 Å²	47	6%	0.058	21%	0.21	C	C	.	.			trans	-56.9	144.2	174.7	21.8	-31	0	0	0	110.7	Q479 S482 F517 V596 L597	P273-Q479 VanDerWaalsContact CD-O 3.32Å; P273-Q479 WeakPolarHBondContact CD-O 3.45Å; P273-Q479 VanDerWaalsContact N-O 3.14Å; P273-S482 VanDerWaalsContact CB-OG 3.27Å; P273-S482 WeakPolarHBondContact CB-OG 3.44Å; P273-F517 HydrophobicContact CB-CD2 4.44Å; P273-F517 HydrophobicContact CB-CE2 3.48Å; P273-F517 VanDerWaalsContact CB-CE2 3.48Å; P273-F517 HydrophobicContact CB-CZ 3.99Å; P273-F517 HydrophobicContact CG-CE2 3.7Å; P273-F517 HydrophobicContact CG-CZ 3.78Å; P273-V596 HydrophobicContact CG-CG1 3.58Å; P273-L597 HydrophobicContact CB-CD2 4.28Å; P273-L597 HydrophobicContact CG-CD2 4.07Å; P273-L597 WeakPolarHBondContact O-CD2 3.33Å
274	Y	94.8	Very high	96.5	Very high	123 Å²	123	46 Å²	46	48%	0.482	21%	0.205	S	C	.	.	S	Bend	trans	-88.8	-12.7	-174.5	70.1	-100	0	0	0	114.1	I464 N467 N480 S482	Y274-I464 HydrophobicContact CE1-CG2 4.31Å; Y274-I464 PolarHBondContact OH-O 2.92Å; Y274-N467 VanDerWaalsContact CZ-ND2 3.27Å; Y274-N467 PolarHBondContact OH-ND2 3.18Å; Y274-N480 VanDerWaalsContact CD1-O 3.24Å; Y274-N480 WeakPolarHBondContact CD1-O 3.13Å; Y274-S482 PolarHBondContact N-OG 2.91Å; Y274-S482 VanDerWaalsContact N-OG 3.14Å
275	K	96.7	Very high	96.6	Very high	57 Å²	57	44.8 Å²	44.8	25%	0.248	20%	0.201	C	C	.	.	S	Bend	trans	-155.2	171.9	171.1	65.9	168.5	179.4	172.2	0	110.8	N467 D468 S482	K275-N467 VanDerWaalsContact CE-CG 3.45Å; K275-N467 WeakPolarHBondContact CE-ND2 3.48Å; K275-N467 WeakPolarHBondContact CE-OD1 3.34Å; K275-N467 PolarHBondContact NZ-OD1 3.27Å; K275-D468 IonicContact NZ-OD1 2.78Å; K275-D468 PolarHBondContact NZ-OD1 3.33Å; K275-D468 IonicContact NZ-OD2 3.85Å; K275-D468 PolarHBondContact NZ-OD2 2.94Å; K275-S482 PolarHBondContact N-OG 2.86Å; K275-S482 VanDerWaalsContact N-OG 3.08Å; K275-S482 WeakPolarHBondContact O-CB 3.24Å; K275-S482 PolarHBondContact O-OG 3.37Å
276	V	98.2	Very high	96.7	Very high	41 Å²	41	44.8 Å²	44.8	25%	0.248	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-81.3	141.2	163.6	-172.8	0	0	0	0	109.2	F282 A593 L597	V276-F282 HydrophobicContact CG1-CE2 3.69Å; V276-F282 HydrophobicContact CG1-CZ 3.93Å; V276-A593 HydrophobicContact CG1-CB 3.78Å; V276-A593 HydrophobicContact CG2-CB 4.17Å; V276-A593 WeakPolarHBondContact CG2-O 3.33Å; V276-L597 HydrophobicContact CG2-CD1 4.21Å; V276-L597 HydrophobicContact CG2-CD2 4.38Å; V276-L597 HydrophobicContact CG2-CG 4.43Å
277	P	97.6	Very high	96.7	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.039	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-56.9	171	166.3	-21.5	29.6	0	0	0	112.6	K279 F282 F484 F517	P277-K279 PolarHBondContact O-N 2.85Å; P277-F282 HydrophobicContact CB-CE2 3.96Å; P277-F282 HydrophobicContact CB-CZ 4.37Å; P277-F282 HydrophobicContact CG-CE2 4.14Å; P277-F282 HydrophobicContact CG-CZ 4.06Å; P277-F484 HydrophobicContact CB-CD2 4.18Å; P277-F484 HydrophobicContact CB-CE2 3.85Å; P277-F484 HydrophobicContact CG-CD2 4.07Å; P277-F484 HydrophobicContact CG-CE2 3.87Å; P277-F517 VanDerWaalsContact CD-CE2 3.43Å; P277-F517 HydrophobicContact CG-CB 4.31Å; P277-F517 HydrophobicContact CG-CD1 4.43Å; P277-F517 HydrophobicContact CG-CD2 3.62Å; P277-F517 HydrophobicContact CG-CE2 4.01Å; P277-F517 HydrophobicContact CG-CG 3.86Å
278	A	97.8	Very high	96.9	Very high	25 Å²	25	40 Å²	40	21%	0.207	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-69.9	127.2	-176.4	0	0	0	0	0	111.9	V280 M281 D468	A278-V280 VanDerWaalsContact C-N 3.27Å; A278-V280 PolarHBondContact O-N 3.07Å; A278-M281 WeakPolarHBondContact O-CB 3.28Å; A278-M281 WeakPolarHBondContact O-CG 3.29Å; A278-M281 PolarHBondContact O-N 2.96Å; A278-D468 HydrophobicContact CB-CB 3.85Å; A278-D468 WeakPolarHBondContact CB-O 3.38Å; A278-D468 PolarHBondContact N-O 2.9Å
279	K	98.2	Very high	97	Very high	126 Å²	126	32.7 Å²	32.7	55%	0.548	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-32.6	-51.9	-172	-158.4	-165.2	179.2	-146.6	0	115.2	P277 M281 F282 E283 L590	P277-K279 PolarHBondContact O-N 2.85Å; K279-M281 PolarHBondContact O-N 2.82Å; K279-F282 WeakPolarHBondContact O-CB 3.3Å; K279-F282 WeakPolarHBondContact O-CD2 3.41Å; K279-F282 PolarHBondContact O-N 2.87Å; K279-E283 WeakPolarHBondContact CD-OE1 3.26Å; K279-E283 VanDerWaalsContact CD-OE2 3.28Å; K279-E283 WeakPolarHBondContact CD-OE2 3.48Å; K279-E283 WeakPolarHBondContact CE-OE1 3.45Å; K279-E283 HydrophobicContact CG-CG 4.26Å; K279-E283 VanDerWaalsContact CG-OE2 3.26Å; K279-E283 WeakPolarHBondContact CG-OE2 3.44Å; K279-E283 IonicContact NZ-OE1 3.6Å; K279-E283 PolarHBondContact NZ-OE1 2.92Å; K279-E283 IonicContact NZ-OE2 2.65Å; K279-E283 PolarHBondContact O-N 2.79Å; K279-L590 HydrophobicContact CB-CD2 4.47Å; K279-L590 HydrophobicContact CD-CD1 4.21Å; K279-L590 HydrophobicContact CG-CD1 3.5Å; K279-L590 HydrophobicContact CG-CD2 3.82Å; K279-L590 HydrophobicContact CG-CG 4.34Å
280	V	97.4	Very high	96.9	Very high	27 Å²	27	31.9 Å²	31.9	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-15.2	-175.7	70.8	0	0	0	0	115.4	A278 F282 E283 H284 S317	A278-V280 VanDerWaalsContact C-N 3.27Å; A278-V280 PolarHBondContact O-N 3.07Å; V280-F282 PolarHBondContact O-N 3.47Å; V280-E283 WeakPolarHBondContact CA-OE2 3.39Å; V280-E283 PolarHBondContact N-OE2 2.68Å; V280-E283 PolarHBondContact O-N 2.85Å; V280-H284 HydrophobicContact CG2-CB 3.82Å; V280-H284 WeakPolarHBondContact CG2-CD2 3.38Å; V280-H284 PolarHBondContact O-N 3.17Å; V280-S317 WeakPolarHBondContact O-CB 3.16Å
281	M	97.4	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-28.1	166.9	-69	-68.4	-72	0	0	112.9	A278 K279 I286 S317 H318 D468 R469 F484 S556	A278-M281 WeakPolarHBondContact O-CB 3.28Å; A278-M281 WeakPolarHBondContact O-CG 3.29Å; A278-M281 PolarHBondContact O-N 2.96Å; K279-M281 PolarHBondContact O-N 2.82Å; M281-I286 HydrophobicContact CE-CD1 3.62Å; M281-I286 HydrophobicContact CE-CG1 4.43Å; M281-I286 HydrophobicContact SD-CD1 4.28Å; M281-I286 HydrophobicContact SD-CG1 4.48Å; M281-S317 PolarHBondContact SD-OG 3.15Å; M281-H318 VanDerWaalsContact SD-CE1 3.55Å; M281-D468 WeakPolarHBondContact CG-O 3.36Å; M281-R469 HydrophobicContact CG-CG 4.24Å; M281-R469 HydrophobicContact SD-CB 3.91Å; M281-R469 HydrophobicContact SD-CG 3.91Å; M281-F484 HydrophobicContact CB-CD2 4.22Å; M281-F484 HydrophobicContact CB-CE2 3.48Å; M281-F484 VanDerWaalsContact CB-CE2 3.48Å; M281-F484 HydrophobicContact CB-CZ 3.99Å; M281-F484 HydrophobicContact CE-CD2 3.67Å; M281-F484 HydrophobicContact CE-CE2 4.12Å; M281-F484 HydrophobicContact CE-CG 4.16Å; M281-F484 HydrophobicContact CG-CD2 4.49Å; M281-F484 HydrophobicContact CG-CE2 4.16Å; M281-S556 VanDerWaalsContact O-CB 3.28Å; M281-S556 WeakPolarHBondContact O-CB 3.48Å; M281-S556 PolarHBondContact O-OG 2.8Å
282	F	98.4	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-95.7	-15.1	178.7	-57.7	-90.2	0	0	0	112.8	V276 P277 K279 V280 F484 F517 P555 H581 A586 V589 L590 A593	V276-F282 HydrophobicContact CG1-CE2 3.69Å; V276-F282 HydrophobicContact CG1-CZ 3.93Å; P277-F282 HydrophobicContact CB-CE2 3.96Å; P277-F282 HydrophobicContact CB-CZ 4.37Å; P277-F282 HydrophobicContact CG-CE2 4.14Å; P277-F282 HydrophobicContact CG-CZ 4.06Å; K279-F282 WeakPolarHBondContact O-CB 3.3Å; K279-F282 WeakPolarHBondContact O-CD2 3.41Å; K279-F282 PolarHBondContact O-N 2.87Å; V280-F282 PolarHBondContact O-N 3.47Å; F282-F484 HydrophobicContact CD1-CE1 4.43Å; F282-F484 AromaticContact CD1-CZ 3.64Å; F282-F484 HydrophobicContact CD1-CZ 3.64Å; F282-F484 HydrophobicContact CD2-CE2 4.41Å; F282-F484 HydrophobicContact CD2-CZ 4.21Å; F282-F484 HydrophobicContact CE1-CE1 4.19Å; F282-F484 HydrophobicContact CE1-CE2 4.12Å; F282-F484 AromaticContact CE1-CZ 3.4Å; F282-F484 HydrophobicContact CE1-CZ 3.4Å; F282-F484 VanDerWaalsContact CE1-CZ 3.4Å; F282-F484 AromaticContact CE2-CE2 3.97Å; F282-F484 HydrophobicContact CE2-CE2 3.97Å; F282-F484 AromaticContact CE2-CZ 3.99Å; F282-F484 HydrophobicContact CE2-CZ 3.99Å; F282-F484 HydrophobicContact CG-CZ 4.07Å; F282-F484 AromaticContact CZ-CE2 3.82Å; F282-F484 HydrophobicContact CZ-CE2 3.82Å; F282-F484 AromaticContact CZ-CZ 3.6Å; F282-F484 HydrophobicContact CZ-CZ 3.6Å; F282-F517 HydrophobicContact CE1-CD1 4.2Å; F282-F517 AromaticContact CZ-CD1 3.89Å; F282-F517 HydrophobicContact CZ-CD1 3.89Å; F282-F517 HydrophobicContact CZ-CE1 4.33Å; F282-F517 HydrophobicContact CZ-CG 4.48Å; F282-P555 VanDerWaalsContact CD1-O 3.25Å; F282-P555 WeakPolarHBondContact CD1-O 3.4Å; F282-H581 PolarHBondContact O-NE2 2.9Å; F282-H581 VanDerWaalsContact O-NE2 3.08Å; F282-A586 WeakPolarHBondContact O-CB 3.27Å; F282-V589 HydrophobicContact CD1-CG1 3.4Å; F282-V589 VanDerWaalsContact CD1-CG1 3.4Å; F282-V589 HydrophobicContact CE1-CG1 3.85Å; F282-V589 HydrophobicContact CG-CG1 4.42Å; F282-L590 HydrophobicContact CB-CD1 4.36Å; F282-L590 HydrophobicContact CB-CD2 3.83Å; F282-L590 HydrophobicContact CB-CG 3.86Å; F282-L590 HydrophobicContact CD2-CD2 3.41Å; F282-L590 VanDerWaalsContact CD2-CD2 3.41Å; F282-L590 HydrophobicContact CD2-CG 4.35Å; F282-L590 HydrophobicContact CE2-CD2 4.03Å; F282-L590 HydrophobicContact CG-CD2 3.68Å; F282-L590 HydrophobicContact CG-CG 4.14Å; F282-A593 HydrophobicContact CE1-CB 4.33Å; F282-A593 HydrophobicContact CZ-CB 4.19Å
283	E	98.4	Very high	96.5	Very high	36 Å²	36	27 Å²	27	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-103.2	-32.4	-174	-59.5	172.1	112.9	0	0	113.1	K279 V280 A586 L590	K279-E283 WeakPolarHBondContact CD-OE1 3.26Å; K279-E283 VanDerWaalsContact CD-OE2 3.28Å; K279-E283 WeakPolarHBondContact CD-OE2 3.48Å; K279-E283 WeakPolarHBondContact CE-OE1 3.45Å; K279-E283 HydrophobicContact CG-CG 4.26Å; K279-E283 VanDerWaalsContact CG-OE2 3.26Å; K279-E283 WeakPolarHBondContact CG-OE2 3.44Å; K279-E283 IonicContact NZ-OE1 3.6Å; K279-E283 PolarHBondContact NZ-OE1 2.92Å; K279-E283 IonicContact NZ-OE2 2.65Å; K279-E283 PolarHBondContact O-N 2.79Å; V280-E283 WeakPolarHBondContact CA-OE2 3.39Å; V280-E283 PolarHBondContact N-OE2 2.68Å; V280-E283 PolarHBondContact O-N 2.85Å; E283-A586 HydrophobicContact CB-CB 4.43Å; E283-A586 HydrophobicContact CG-CB 4.16Å; E283-L590 HydrophobicContact CG-CD1 4.1Å
284	H	98.3	Very high	96.3	Very high	35 Å²	35	28.9 Å²	28.9	16%	0.162	14%	0.136	C	C	.	.	S	Bend	trans	-133.7	146.3	-171.3	-59.2	-17	0	0	0	111.1	V280 N315 S317 E582	V280-H284 HydrophobicContact CG2-CB 3.82Å; V280-H284 WeakPolarHBondContact CG2-CD2 3.38Å; V280-H284 PolarHBondContact O-N 3.17Å; H284-N315 HydrophobicContact CB-CB 4.16Å; H284-N315 PolarHBondContact CE1-ND2 2.99Å; H284-S317 VanDerWaalsContact O-CB 3.26Å; H284-S317 WeakPolarHBondContact O-CB 3.39Å; H284-E582 VanDerWaalsContact CE1-CD 3.41Å; H284-E582 IonicContact CE1-OE1 2.69Å; H284-E582 IonicContact CE1-OE2 2.99Å; H284-E582 PolarHBondContact CE1-OE2 2.81Å; H284-E582 IonicContact ND1-OE2 2.65Å; H284-E582 PolarHBondContact ND1-OE2 2.71Å
285	P	98.1	Very high	96.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.013	14%	0.136	C	C	.	.			trans	-64.1	146	-179.5	23.4	-32.6	0	0	0	113.2	W287 N315 S317 M557 F559 T578	P285-W287 HydrophobicContact CG-CZ2 4.12Å; P285-W287 VanDerWaalsContact O-CD1 3.28Å; P285-N315 WeakPolarHBondContact CG-O 3.45Å; P285-S317 PolarHBondContact O-N 3.15Å; P285-M557 CarbonylContact C-O 3.58Å; P285-M557 WeakPolarHBondContact CA-O 3.41Å; P285-M557 HydrophobicContact CB-CB 3.99Å; P285-F559 HydrophobicContact CB-CD2 3.66Å; P285-F559 HydrophobicContact CB-CE2 3.88Å; P285-F559 HydrophobicContact CG-CD2 4.09Å; P285-F559 HydrophobicContact CG-CE2 4.02Å; P285-T578 HydrophobicContact CG-CG2 4.05Å
286	I	98.6	Very high	96.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.9	161.9	-52.7	173	0	0	0	107.8	M281 E320 L519 M557 Q558 F559	M281-I286 HydrophobicContact CE-CD1 3.62Å; M281-I286 HydrophobicContact CE-CG1 4.43Å; M281-I286 HydrophobicContact SD-CD1 4.28Å; M281-I286 HydrophobicContact SD-CG1 4.48Å; I286-E320 HydrophobicContact CG2-CB 4.31Å; I286-L519 HydrophobicContact CD1-CD1 3.96Å; I286-L519 HydrophobicContact CD1-CD2 4.04Å; I286-M557 PolarHBondContact N-O 3.12Å; I286-Q558 HydrophobicContact CB-CB 4.22Å; I286-Q558 HydrophobicContact CB-CG 4.09Å; I286-Q558 HydrophobicContact CG2-CG 4.25Å; I286-Q558 CarbonylContact O-C 3.57Å; I286-Q558 WeakPolarHBondContact O-CA 3.39Å; I286-F559 PolarHBondContact O-N 3.41Å
287	W	98.4	Very high	96	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	99.4	-178.5	-69	84.8	0	0	0	110.5	P285 Y305 I309 F314 N315 C316 H318 L319 E320 F559 P562 W564	P285-W287 HydrophobicContact CG-CZ2 4.12Å; P285-W287 VanDerWaalsContact O-CD1 3.28Å; W287-Y305 HydrophobicContact CB-CE1 3.98Å; W287-I309 HydrophobicContact CB-CD1 3.73Å; W287-I309 HydrophobicContact CD2-CD1 3.62Å; W287-I309 HydrophobicContact CD2-CG1 3.76Å; W287-I309 HydrophobicContact CE3-CD1 3.98Å; W287-I309 HydrophobicContact CE3-CG1 3.85Å; W287-I309 HydrophobicContact CG-CD1 3.52Å; W287-I309 HydrophobicContact CG-CG1 4.2Å; W287-I309 HydrophobicContact CZ2-CG2 4.5Å; W287-I309 HydrophobicContact CZ3-CG1 4.28Å; W287-F314 HydrophobicContact CH2-CB 4.23Å; W287-F314 HydrophobicContact CH2-CD1 4.3Å; W287-F314 AromaticContact CH2-CD2 3.99Å; W287-F314 HydrophobicContact CH2-CD2 3.99Å; W287-F314 HydrophobicContact CH2-CE2 4.45Å; W287-F314 AromaticContact CH2-CG 3.92Å; W287-F314 HydrophobicContact CH2-CG 3.92Å; W287-F314 HydrophobicContact CZ2-CB 3.58Å; W287-F314 HydrophobicContact CZ2-CD1 4.03Å; W287-F314 HydrophobicContact CZ2-CD2 4.21Å; W287-F314 AromaticContact CZ2-CG 3.69Å; W287-F314 HydrophobicContact CZ2-CG 3.69Å; W287-N315 PolarHBondContact NE1-O 2.97Å; W287-C316 VanDerWaalsContact CD1-SG 3.51Å; W287-H318 PolarHBondContact N-O 3.14Å; W287-L319 HydrophobicContact CB-CD2 4.04Å; W287-L319 CarbonylContact O-C 3.55Å; W287-L319 WeakPolarHBondContact O-CA 3.38Å; W287-E320 PolarHBondContact O-N 2.91Å; W287-F559 HydrophobicContact CD2-CB 4.12Å; W287-F559 HydrophobicContact CD2-CD2 4.28Å; W287-F559 AromaticContact CE2-CD2 3.93Å; W287-F559 HydrophobicContact CE3-CB 3.63Å; W287-F559 HydrophobicContact CE3-CD2 4.26Å; W287-F559 HydrophobicContact CE3-CG 4.2Å; W287-F559 HydrophobicContact CH2-CB 4.23Å; W287-F559 AromaticContact CH2-CD2 3.52Å; W287-F559 HydrophobicContact CH2-CD2 3.52Å; W287-F559 HydrophobicContact CH2-CE2 4.01Å; W287-F559 AromaticContact CH2-CG 3.88Å; W287-F559 HydrophobicContact CH2-CG 3.88Å; W287-F559 AromaticContact CZ2-CD2 3.53Å; W287-F559 HydrophobicContact CZ2-CD2 3.53Å; W287-F559 AromaticContact CZ2-CE2 3.97Å; W287-F559 HydrophobicContact CZ2-CE2 3.97Å; W287-F559 HydrophobicContact CZ2-CG 4.3Å; W287-F559 HydrophobicContact CZ3-CB 3.69Å; W287-F559 AromaticContact CZ3-CD2 3.9Å; W287-F559 HydrophobicContact CZ3-CD2 3.9Å; W287-F559 AromaticContact CZ3-CG 3.83Å; W287-F559 HydrophobicContact CZ3-CG 3.83Å; W287-P562 HydrophobicContact CZ3-CB 3.84Å; W287-W564 HydrophobicContact CE3-CH2 4.04Å; W287-W564 HydrophobicContact CH2-CH2 4.06Å; W287-W564 AromaticContact CH2-CZ3 3.74Å; W287-W564 HydrophobicContact CH2-CZ3 3.74Å; W287-W564 AromaticContact CZ3-CH2 3.47Å; W287-W564 HydrophobicContact CZ3-CH2 3.47Å; W287-W564 VanDerWaalsContact CZ3-CH2 3.47Å; W287-W564 AromaticContact CZ3-CZ3 3.6Å; W287-W564 HydrophobicContact CZ3-CZ3 3.6Å
288	S	97.6	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.1	-173.9	-178.2	0	0	0	0	113	W290 Y305 E320 F559 S560	S288-W290 PolarHBondContact O-N 2.77Å; S288-W290 PolarHBondContact OG-N 3.18Å; S288-Y305 PolarHBondContact O-OH 3.3Å; S288-E320 WeakPolarHBondContact CA-O 3.18Å; S288-E320 WeakPolarHBondContact CB-OE1 3.39Å; S288-E320 PolarHBondContact OG-OE1 3.16Å; S288-F559 PolarHBondContact N-O 2.91Å; S288-S560 WeakPolarHBondContact O-CA 3.02Å; S288-S560 WeakPolarHBondContact O-CB 3.43Å; S288-S560 PolarHBondContact O-OG 2.85Å
289	T	96.6	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-75.6	-7.6	178.5	55.3	0	0	0	0	114.5	I292 Y293 I297 L302 Y305 E320 L321 D322	T289-I292 VanDerWaalsContact O-CG2 3.3Å; T289-I292 WeakPolarHBondContact O-CG2 3.29Å; T289-Y293 HydrophobicContact CG2-CD2 4.16Å; T289-Y293 WeakPolarHBondContact O-CB 3.31Å; T289-Y293 PolarHBondContact O-N 3.04Å; T289-I297 HydrophobicContact CG2-CD1 3.91Å; T289-I297 HydrophobicContact CG2-CG1 4.08Å; T289-L302 HydrophobicContact CG2-CD1 3.93Å; T289-Y305 HydrophobicContact CG2-CD1 4.29Å; T289-Y305 HydrophobicContact CG2-CE1 4.42Å; T289-E320 PolarHBondContact N-O 2.91Å; T289-E320 PolarHBondContact OG1-O 3.4Å; T289-L321 HydrophobicContact CG2-CD1 4.46Å; T289-D322 CarbonylContact C-O 3.46Å; T289-D322 PolarHBondContact OG1-N 2.75Å; T289-D322 PolarHBondContact OG1-O 3.15Å
290	W	93.9	Very high	96	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-66.8	-166.5	175.4	-121.7	0	0	0	115.7	S288 I292 K294 D322 D323 M522 N526 Y528 S560	S288-W290 PolarHBondContact O-N 2.77Å; S288-W290 PolarHBondContact OG-N 3.18Å; W290-I292 PolarHBondContact O-N 2.82Å; W290-K294 HydrophobicContact CD2-CD 4.16Å; W290-K294 HydrophobicContact CE3-CB 4.47Å; W290-K294 HydrophobicContact CE3-CD 4.24Å; W290-K294 HydrophobicContact CH2-CB 4.47Å; W290-K294 HydrophobicContact CH2-CD 3.94Å; W290-K294 HydrophobicContact CZ2-CD 3.85Å; W290-K294 HydrophobicContact CZ3-CB 4.09Å; W290-K294 HydrophobicContact CZ3-CD 4.12Å; W290-K294 WeakPolarHBondContact O-CA 3.39Å; W290-K294 WeakPolarHBondContact O-CD 3.21Å; W290-K294 PolarHBondContact O-N 3.46Å; W290-D322 HydrophobicContact CB-CB 4.06Å; W290-D322 PolarHBondContact N-O 3.26Å; W290-D323 HydrophobicContact CE3-CB 3.78Å; W290-D323 HydrophobicContact CZ3-CB 3.51Å; W290-M522 HydrophobicContact CB-SD 4.5Å; W290-N526 VanDerWaalsContact CD1-OD1 3.3Å; W290-N526 PolarHBondContact NE1-OD1 2.91Å; W290-Y528 HydrophobicContact CZ2-CE1 4.07Å; W290-Y528 WeakPolarHBondContact CZ2-OH 3.42Å; W290-Y528 PolarHBondContact NE1-OH 2.81Å; W290-S560 PolarHBondContact N-OG 2.6Å
291	A	90.9	Very high	96.1	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-31.2	-172.8	0	0	0	0	0	112.2	K294 M522 S560 I561	A291-K294 WeakPolarHBondContact O-CE 3.49Å; A291-M522 HydrophobicContact CB-SD 4.13Å; A291-S560 WeakPolarHBondContact CB-OG 3.5Å; A291-S560 PolarHBondContact N-OG 2.76Å; A291-I561 HydrophobicContact CB-CD1 4.27Å; A291-I561 HydrophobicContact CB-CG1 3.75Å
292	I	90.9	Very high	96.1	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-78.9	-56.3	179.2	-169.9	66.4	0	0	0	112.5	T289 W290 Y305 R536 S560 E565	T289-I292 VanDerWaalsContact O-CG2 3.3Å; T289-I292 WeakPolarHBondContact O-CG2 3.29Å; W290-I292 PolarHBondContact O-N 2.82Å; I292-Y305 HydrophobicContact CG2-CE2 4.14Å; I292-R536 VanDerWaalsContact CD1-NH2 3.29Å; I292-R536 PolarHBondContact O-NE 3.31Å; I292-R536 PolarHBondContact O-NH2 3.42Å; I292-S560 WeakPolarHBondContact CB-O 3.35Å; I292-S560 WeakPolarHBondContact CG2-O 3.4Å; I292-E565 HydrophobicContact CD1-CG 3.78Å
293	Y	92.9	Very high	96.1	Very high	36 Å²	36	35.9 Å²	35.9	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-99.6	-16	-173.2	-61.5	-67.5	0	0	0	114.6	T289 R295 D296 I297 K301 Y305	T289-Y293 HydrophobicContact CG2-CD2 4.16Å; T289-Y293 WeakPolarHBondContact O-CB 3.31Å; T289-Y293 PolarHBondContact O-N 3.04Å; Y293-R295 PolarHBondContact O-N 3.18Å; Y293-R295 VanDerWaalsContact O-N 3.09Å; Y293-D296 WeakPolarHBondContact O-CA 3.36Å; Y293-D296 PolarHBondContact O-N 3.3Å; Y293-I297 HydrophobicContact CD2-CD1 3.67Å; Y293-I297 HydrophobicContact CE2-CD1 4.11Å; Y293-I297 HydrophobicContact CG-CB 4.43Å; Y293-I297 HydrophobicContact CG-CD1 4.03Å; Y293-K301 HydrophobicContact CD1-CB 4.47Å; Y293-K301 HydrophobicContact CD1-CD 3.91Å; Y293-K301 HydrophobicContact CD1-CG 4.44Å; Y293-K301 HydrophobicContact CE1-CB 4.09Å; Y293-K301 HydrophobicContact CE1-CD 4.03Å; Y293-K301 HydrophobicContact CE1-CG 4.08Å; Y293-Y305 AromaticContact CE2-CD2 3.8Å; Y293-Y305 HydrophobicContact CE2-CD2 3.8Å; Y293-Y305 HydrophobicContact CE2-CE2 4.37Å; Y293-Y305 HydrophobicContact CE2-CG 4.15Å
294	K	91.4	Very high	96.1	Very high	48 Å²	48	37.1 Å²	37.1	21%	0.209	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-111.9	-175.1	-57.1	-72.8	174.6	178.9	0	111	W290 A291 D323 N526	W290-K294 HydrophobicContact CD2-CD 4.16Å; W290-K294 HydrophobicContact CE3-CB 4.47Å; W290-K294 HydrophobicContact CE3-CD 4.24Å; W290-K294 HydrophobicContact CH2-CB 4.47Å; W290-K294 HydrophobicContact CH2-CD 3.94Å; W290-K294 HydrophobicContact CZ2-CD 3.85Å; W290-K294 HydrophobicContact CZ3-CB 4.09Å; W290-K294 HydrophobicContact CZ3-CD 4.12Å; W290-K294 WeakPolarHBondContact O-CA 3.39Å; W290-K294 WeakPolarHBondContact O-CD 3.21Å; W290-K294 PolarHBondContact O-N 3.46Å; A291-K294 WeakPolarHBondContact O-CE 3.49Å; K294-D323 PolarHBondContact O-N 3.1Å; K294-N526 PolarHBondContact NZ-O 3.29Å; K294-N526 PolarHBondContact NZ-OD1 2.89Å
295	R	93.6	Very high	96.1	Very high	132 Å²	132	35.5 Å²	35.5	50%	0.498	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-10	177.7	-64.3	-176.4	-175.3	149.4	2.4	113.7	Y293 I297 D323 R324 Y329 K338 N396	Y293-R295 PolarHBondContact O-N 3.18Å; Y293-R295 VanDerWaalsContact O-N 3.09Å; R295-I297 VanDerWaalsContact C-N 3.34Å; R295-I297 PolarHBondContact O-N 3.06Å; R295-D323 HydrophobicContact CG-CB 4.49Å; R295-R324 HydrophobicContact CB-CB 4.17Å; R295-R324 HydrophobicContact CB-CG 3.81Å; R295-R324 HydrophobicContact CG-CB 4.48Å; R295-R324 HydrophobicContact CG-CG 3.68Å; R295-Y329 PolarHBondContact NE-OH 2.77Å; R295-K338 PolarHBondContact O-NZ 2.66Å; R295-N396 PolarHBondContact NH2-OD1 3.31Å
296	D	93.6	Very high	96.1	Very high	103 Å²	103	35.5 Å²	35.5	55%	0.551	17%	0.168	S	C	*	.			trans	-96.7	39	-175.2	-170.7	39.7	0	0	0	112.5	Y293 K301	Y293-D296 WeakPolarHBondContact O-CA 3.36Å; Y293-D296 PolarHBondContact O-N 3.3Å; D296-K301 WeakPolarHBondContact O-CD 2.97Å; D296-K301 WeakPolarHBondContact O-CE 3.15Å; D296-K301 PolarHBondContact O-NZ 3.18Å; D296-K301 IonicContact OD1-NZ 2.68Å; D296-K301 PolarHBondContact OD1-NZ 3.35Å; D296-K301 IonicContact OD2-NZ 3.89Å; D296-K301 PolarHBondContact OD2-NZ 3.07Å
297	I	95.7	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.			trans	-93.8	132.5	171.7	-177.4	56.5	0	0	0	111	T289 Y293 R295 K301 L302 L321 D323 K338 F339	T289-I297 HydrophobicContact CG2-CD1 3.91Å; T289-I297 HydrophobicContact CG2-CG1 4.08Å; Y293-I297 HydrophobicContact CD2-CD1 3.67Å; Y293-I297 HydrophobicContact CE2-CD1 4.11Å; Y293-I297 HydrophobicContact CG-CB 4.43Å; Y293-I297 HydrophobicContact CG-CD1 4.03Å; R295-I297 VanDerWaalsContact C-N 3.34Å; R295-I297 PolarHBondContact O-N 3.06Å; I297-K301 HydrophobicContact CD1-CB 3.7Å; I297-L302 HydrophobicContact CD1-CB 4.14Å; I297-L321 HydrophobicContact CB-CD1 4.35Å; I297-L321 HydrophobicContact CD1-CD1 4.47Å; I297-L321 HydrophobicContact CG1-CD1 3.4Å; I297-L321 VanDerWaalsContact CG1-CD1 3.4Å; I297-L321 HydrophobicContact CG2-CD1 3.96Å; I297-D323 WeakPolarHBondContact CG2-O 3.38Å; I297-K338 WeakPolarHBondContact O-CE 3.44Å; I297-K338 PolarHBondContact O-NZ 3.14Å; I297-F339 HydrophobicContact CG1-CZ 4.45Å; I297-F339 WeakPolarHBondContact O-CZ 3.3Å
298	D	98.1	Very high	96.1	Very high	37 Å²	37	39.7 Å²	39.7	20%	0.198	20%	0.198	C	C	.	.			trans	-135.2	179.6	178.5	58.3	54	0	0	0	110.8	E300 K301 L302 K338 F339	D298-E300 PolarHBondContact O-N 2.82Å; D298-E300 PolarHBondContact OD1-N 3.31Å; D298-E300 VanDerWaalsContact OD1-N 3.09Å; D298-K301 PolarHBondContact O-N 2.95Å; D298-K301 WeakPolarHBondContact OD1-CB 3.35Å; D298-K301 WeakPolarHBondContact OD1-CG 3.26Å; D298-K301 PolarHBondContact OD1-N 2.87Å; D298-K301 WeakPolarHBondContact OD2-CD 3.45Å; D298-K301 WeakPolarHBondContact OD2-CE 3.35Å; D298-K301 IonicContact OD2-NZ 3.91Å; D298-K301 PolarHBondContact OD2-NZ 2.88Å; D298-L302 PolarHBondContact O-N 3.47Å; D298-K338 HydrophobicContact CB-CB 4.38Å; D298-K338 WeakPolarHBondContact CB-O 3.5Å; D298-F339 VanDerWaalsContact CA-CZ 3.49Å
299	Q	98.4	Very high	96.2	Very high	32 Å²	32	39.7 Å²	39.7	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-39.5	-177.7	165.8	168.8	-24.6	0	0	113.5	L303 K338 F339 M345	Q299-L303 HydrophobicContact CG-CD1 4.09Å; Q299-L303 VanDerWaalsContact O-CG 3.3Å; Q299-L303 WeakPolarHBondContact O-CG 3.19Å; Q299-L303 PolarHBondContact O-N 2.69Å; Q299-L303 VanDerWaalsContact O-N 3.17Å; Q299-K338 PolarHBondContact N-O 2.7Å; Q299-F339 HydrophobicContact CB-CD1 3.81Å; Q299-F339 HydrophobicContact CB-CE1 4.42Å; Q299-F339 HydrophobicContact CB-CG 4.44Å; Q299-M345 HydrophobicContact CB-SD 3.79Å; Q299-M345 HydrophobicContact CG-CB 4.16Å; Q299-M345 HydrophobicContact CG-CG 4.07Å; Q299-M345 HydrophobicContact CG-SD 3.7Å
300	E	98.4	Very high	96.2	Very high	147 Å²	147	46.3 Å²	46.3	69%	0.687	22%	0.223	S	C	*	.	H	α-helix	trans	-72.9	-43.2	-178.8	-175	178	171.3	0	0	110.9	D298 L302 L303 T304	D298-E300 PolarHBondContact O-N 2.82Å; D298-E300 PolarHBondContact OD1-N 3.31Å; D298-E300 VanDerWaalsContact OD1-N 3.09Å; E300-L302 PolarHBondContact O-N 3.34Å; E300-L303 PolarHBondContact O-N 2.69Å; E300-T304 VanDerWaalsContact O-CB 3.3Å; E300-T304 WeakPolarHBondContact O-CB 3.35Å; E300-T304 PolarHBondContact O-N 2.99Å; E300-T304 PolarHBondContact O-OG1 2.81Å
301	K	98.1	Very high	96.4	Very high	50 Å²	50	51.7 Å²	51.7	22%	0.217	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-43.5	175.1	-72.5	171	-171.6	145.2	0	111.7	Y293 D296 I297 D298 T304 Y305	Y293-K301 HydrophobicContact CD1-CB 4.47Å; Y293-K301 HydrophobicContact CD1-CD 3.91Å; Y293-K301 HydrophobicContact CD1-CG 4.44Å; Y293-K301 HydrophobicContact CE1-CB 4.09Å; Y293-K301 HydrophobicContact CE1-CD 4.03Å; Y293-K301 HydrophobicContact CE1-CG 4.08Å; D296-K301 WeakPolarHBondContact O-CD 2.97Å; D296-K301 WeakPolarHBondContact O-CE 3.15Å; D296-K301 PolarHBondContact O-NZ 3.18Å; D296-K301 IonicContact OD1-NZ 2.68Å; D296-K301 PolarHBondContact OD1-NZ 3.35Å; D296-K301 IonicContact OD2-NZ 3.89Å; D296-K301 PolarHBondContact OD2-NZ 3.07Å; I297-K301 HydrophobicContact CD1-CB 3.7Å; D298-K301 PolarHBondContact O-N 2.95Å; D298-K301 WeakPolarHBondContact OD1-CB 3.35Å; D298-K301 WeakPolarHBondContact OD1-CG 3.26Å; D298-K301 PolarHBondContact OD1-N 2.87Å; D298-K301 WeakPolarHBondContact OD2-CD 3.45Å; D298-K301 WeakPolarHBondContact OD2-CE 3.35Å; D298-K301 IonicContact OD2-NZ 3.91Å; D298-K301 PolarHBondContact OD2-NZ 2.88Å; K301-T304 PolarHBondContact O-N 3.06Å; K301-Y305 VanDerWaalsContact O-CB 3.26Å; K301-Y305 WeakPolarHBondContact O-CB 3.36Å; K301-Y305 PolarHBondContact O-N 2.9Å
302	L	98.3	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-43.3	177.8	-177.1	62	0	0	0	112.4	T289 I297 D298 E300 T304 Y305 A306 L319 L321 M345 L349	T289-L302 HydrophobicContact CG2-CD1 3.93Å; I297-L302 HydrophobicContact CD1-CB 4.14Å; D298-L302 PolarHBondContact O-N 3.47Å; E300-L302 PolarHBondContact O-N 3.34Å; L302-T304 VanDerWaalsContact C-N 3.35Å; L302-Y305 PolarHBondContact O-N 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.39Å; L302-A306 PolarHBondContact O-N 3.35Å; L302-L319 HydrophobicContact CD1-CD1 4.39Å; L302-L321 HydrophobicContact CD2-CD1 4.28Å; L302-L321 HydrophobicContact CD2-CD2 4.08Å; L302-M345 HydrophobicContact CB-SD 4.43Å; L302-M345 HydrophobicContact CD2-CE 3.81Å; L302-M345 HydrophobicContact CD2-SD 3.86Å; L302-L349 HydrophobicContact CD2-CD1 3.88Å; L302-L349 HydrophobicContact CG-CD1 4.16Å
303	L	98.6	Very high	97	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-39.7	176.1	-72	169.7	0	0	0	111.8	Q299 E300 A306 A307 M345 K348 L349	Q299-L303 HydrophobicContact CG-CD1 4.09Å; Q299-L303 VanDerWaalsContact O-CG 3.3Å; Q299-L303 WeakPolarHBondContact O-CG 3.19Å; Q299-L303 PolarHBondContact O-N 2.69Å; Q299-L303 VanDerWaalsContact O-N 3.17Å; E300-L303 PolarHBondContact O-N 2.69Å; L303-A306 PolarHBondContact O-N 3.13Å; L303-A307 WeakPolarHBondContact O-CB 3.37Å; L303-A307 PolarHBondContact O-N 3.14Å; L303-M345 HydrophobicContact CD1-CG 4.28Å; L303-M345 HydrophobicContact CD2-CG 3.99Å; L303-M345 HydrophobicContact CG-CG 3.99Å; L303-K348 HydrophobicContact CD2-CB 4.3Å; L303-K348 HydrophobicContact CD2-CG 4.06Å; L303-L349 HydrophobicContact CD2-CD2 3.98Å; L303-L349 HydrophobicContact CD2-CG 4.01Å
304	T	98.4	Very high	97.3	Very high	62 Å²	62	58.4 Å²	58.4	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-66.5	-41.7	176.4	-59.3	0	0	0	0	111.6	E300 K301 L302 A307 N308	E300-T304 VanDerWaalsContact O-CB 3.3Å; E300-T304 WeakPolarHBondContact O-CB 3.35Å; E300-T304 PolarHBondContact O-N 2.99Å; E300-T304 PolarHBondContact O-OG1 2.81Å; K301-T304 PolarHBondContact O-N 3.06Å; L302-T304 VanDerWaalsContact C-N 3.35Å; T304-A307 PolarHBondContact O-N 2.92Å; T304-N308 WeakPolarHBondContact O-CB 3.44Å; T304-N308 PolarHBondContact O-N 3.09Å; T304-N308 PolarHBondContact O-ND2 3.4Å
305	Y	98.1	Very high	97.5	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-46.7	175.7	-169.5	-109.1	0	0	0	111.2	W287 S288 T289 I292 Y293 K301 L302 A307 N308 I309 L319 S560 P562 W564	W287-Y305 HydrophobicContact CB-CE1 3.98Å; S288-Y305 PolarHBondContact O-OH 3.3Å; T289-Y305 HydrophobicContact CG2-CD1 4.29Å; T289-Y305 HydrophobicContact CG2-CE1 4.42Å; I292-Y305 HydrophobicContact CG2-CE2 4.14Å; Y293-Y305 AromaticContact CE2-CD2 3.8Å; Y293-Y305 HydrophobicContact CE2-CD2 3.8Å; Y293-Y305 HydrophobicContact CE2-CE2 4.37Å; Y293-Y305 HydrophobicContact CE2-CG 4.15Å; K301-Y305 VanDerWaalsContact O-CB 3.26Å; K301-Y305 WeakPolarHBondContact O-CB 3.36Å; K301-Y305 PolarHBondContact O-N 2.9Å; L302-Y305 PolarHBondContact O-N 3.31Å; Y305-A307 PolarHBondContact O-N 3.37Å; Y305-N308 PolarHBondContact O-N 2.87Å; Y305-I309 HydrophobicContact CD1-CD1 4.23Å; Y305-I309 HydrophobicContact CE1-CD1 4.24Å; Y305-I309 WeakPolarHBondContact O-CG1 3.46Å; Y305-I309 PolarHBondContact O-N 3.05Å; Y305-I309 VanDerWaalsContact O-N 3.09Å; Y305-L319 HydrophobicContact CD1-CD2 4.43Å; Y305-S560 PolarHBondContact OH-O 3Å; Y305-P562 HydrophobicContact CE2-CB 4.29Å; Y305-P562 HydrophobicContact CE2-CG 3.96Å; Y305-W564 HydrophobicContact CD2-CZ2 4.24Å; Y305-W564 HydrophobicContact CE2-CZ2 4.21Å
306	A	98.4	Very high	97.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-42.8	174.1	0	0	0	0	0	113	L302 L303 N308 I309 R310 L319 L349 F354	L302-A306 WeakPolarHBondContact O-CB 3.39Å; L302-A306 PolarHBondContact O-N 3.35Å; L303-A306 PolarHBondContact O-N 3.13Å; A306-N308 VanDerWaalsContact C-N 3.33Å; A306-N308 PolarHBondContact O-N 3.5Å; A306-I309 PolarHBondContact O-N 3.27Å; A306-R310 PolarHBondContact O-N 3.15Å; A306-L319 HydrophobicContact CB-CD1 3.81Å; A306-L349 HydrophobicContact CB-CD2 3.41Å; A306-L349 VanDerWaalsContact CB-CD2 3.41Å; A306-F354 HydrophobicContact CB-CD2 3.93Å; A306-F354 HydrophobicContact CB-CE2 3.75Å; A306-F354 HydrophobicContact CB-CG 4.47Å; A306-F354 HydrophobicContact CB-CZ 4.16Å; A306-F354 WeakPolarHBondContact O-CE2 3.15Å; A306-F354 WeakPolarHBondContact O-CZ 3.5Å
307	A	98.4	Very high	97.8	Very high	54 Å²	54	50.3 Å²	50.3	45%	0.446	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.4	0	0	0	0	0	112.2	L303 T304 Y305 R310 K311	L303-A307 WeakPolarHBondContact O-CB 3.37Å; L303-A307 PolarHBondContact O-N 3.14Å; T304-A307 PolarHBondContact O-N 2.92Å; Y305-A307 PolarHBondContact O-N 3.37Å; A307-R310 PolarHBondContact O-N 3.19Å; A307-K311 WeakPolarHBondContact O-CB 3.33Å; A307-K311 PolarHBondContact O-N 3.19Å
308	N	98.4	Very high	97.9	Very high	35 Å²	35	50.5 Å²	50.5	19%	0.187	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-41.1	177.3	-78.9	-26.8	0	0	0	112.5	T304 Y305 A306 R310 K311 Y312 W564	T304-N308 WeakPolarHBondContact O-CB 3.44Å; T304-N308 PolarHBondContact O-N 3.09Å; T304-N308 PolarHBondContact O-ND2 3.4Å; Y305-N308 PolarHBondContact O-N 2.87Å; A306-N308 VanDerWaalsContact C-N 3.33Å; A306-N308 PolarHBondContact O-N 3.5Å; N308-R310 PolarHBondContact O-N 3.34Å; N308-K311 WeakPolarHBondContact O-CB 3.25Å; N308-K311 PolarHBondContact O-N 2.74Å; N308-K311 VanDerWaalsContact O-N 3.08Å; N308-Y312 HydrophobicContact CB-CD2 4.26Å; N308-Y312 HydrophobicContact CB-CE2 4.31Å; N308-Y312 VanDerWaalsContact O-CD2 3.23Å; N308-Y312 WeakPolarHBondContact O-CD2 3.49Å; N308-Y312 PolarHBondContact O-N 3.11Å; N308-W564 HydrophobicContact CB-CH2 4.25Å; N308-W564 HydrophobicContact CB-CZ2 3.69Å
309	I	98.5	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-53	-44	173.7	-66.7	163.7	0	0	0	110.7	W287 Y305 A306 N313 F314 C316 L319 F354 W564	W287-I309 HydrophobicContact CB-CD1 3.73Å; W287-I309 HydrophobicContact CD2-CD1 3.62Å; W287-I309 HydrophobicContact CD2-CG1 3.76Å; W287-I309 HydrophobicContact CE3-CD1 3.98Å; W287-I309 HydrophobicContact CE3-CG1 3.85Å; W287-I309 HydrophobicContact CG-CD1 3.52Å; W287-I309 HydrophobicContact CG-CG1 4.2Å; W287-I309 HydrophobicContact CZ2-CG2 4.5Å; W287-I309 HydrophobicContact CZ3-CG1 4.28Å; Y305-I309 HydrophobicContact CD1-CD1 4.23Å; Y305-I309 HydrophobicContact CE1-CD1 4.24Å; Y305-I309 WeakPolarHBondContact O-CG1 3.46Å; Y305-I309 PolarHBondContact O-N 3.05Å; Y305-I309 VanDerWaalsContact O-N 3.09Å; A306-I309 PolarHBondContact O-N 3.27Å; I309-N313 PolarHBondContact O-N 2.83Å; I309-F314 HydrophobicContact CG2-CB 4Å; I309-F314 PolarHBondContact O-N 3.46Å; I309-C316 HydrophobicContact CG2-CB 4.39Å; I309-L319 HydrophobicContact CD1-CD2 3.42Å; I309-L319 VanDerWaalsContact CD1-CD2 3.42Å; I309-F354 HydrophobicContact CB-CE1 4.3Å; I309-F354 HydrophobicContact CB-CZ 4.08Å; I309-F354 HydrophobicContact CD1-CE1 4.17Å; I309-F354 HydrophobicContact CG2-CE1 4.02Å; I309-F354 HydrophobicContact CG2-CZ 4.1Å; I309-W564 HydrophobicContact CB-CH2 4.48Å; I309-W564 HydrophobicContact CG1-CH2 3.66Å; I309-W564 HydrophobicContact CG1-CZ3 4.39Å
310	R	97.4	Very high	97.9	Very high	139 Å²	139	47.3 Å²	47.3	53%	0.525	24%	0.236	S	C	.	.	H	α-helix	trans	-70.2	-42.6	175.5	-67.4	-177.3	62.5	171.5	-7.4	112.9	A306 A307 N308 Y312 N313 D352 F354	A306-R310 PolarHBondContact O-N 3.15Å; A307-R310 PolarHBondContact O-N 3.19Å; N308-R310 PolarHBondContact O-N 3.34Å; R310-Y312 VanDerWaalsContact C-N 3.32Å; R310-Y312 PolarHBondContact O-N 3.06Å; R310-N313 PolarHBondContact O-N 3.25Å; R310-D352 PolarHBondContact NH1-O 2.96Å; R310-D352 IonicContact NH1-OD1 2.71Å; R310-F354 HydrophobicContact CG-CE2 3.94Å; R310-F354 HydrophobicContact CG-CZ 3.83Å
311	K	98.1	Very high	97.9	Very high	142 Å²	142	40.3 Å²	40.3	62%	0.617	20%	0.203	S	C	*	.	H	α-helix	trans	-58.4	-41.6	178.6	-179.7	-165.6	171.5	-160	0	112.2	A307 N308 N313	A307-K311 WeakPolarHBondContact O-CB 3.33Å; A307-K311 PolarHBondContact O-N 3.19Å; N308-K311 WeakPolarHBondContact O-CB 3.25Å; N308-K311 PolarHBondContact O-N 2.74Å; N308-K311 VanDerWaalsContact O-N 3.08Å; K311-N313 VanDerWaalsContact C-N 3.28Å
312	Y	98.1	Very high	97.8	Very high	59 Å²	59	38.1 Å²	38.1	23%	0.231	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.6	177.7	-65.8	-75.3	0	0	0	113.3	N308 R310 W564 V571	N308-Y312 HydrophobicContact CB-CD2 4.26Å; N308-Y312 HydrophobicContact CB-CE2 4.31Å; N308-Y312 VanDerWaalsContact O-CD2 3.23Å; N308-Y312 WeakPolarHBondContact O-CD2 3.49Å; N308-Y312 PolarHBondContact O-N 3.11Å; R310-Y312 VanDerWaalsContact C-N 3.32Å; R310-Y312 PolarHBondContact O-N 3.06Å; Y312-W564 HydrophobicContact CD1-CB 4.21Å; Y312-W564 HydrophobicContact CD2-CB 3.88Å; Y312-W564 AromaticContact CD2-CD2 3.45Å; Y312-W564 HydrophobicContact CD2-CD2 3.45Å; Y312-W564 VanDerWaalsContact CD2-CD2 3.45Å; Y312-W564 AromaticContact CD2-CE3 3.36Å; Y312-W564 HydrophobicContact CD2-CE3 3.36Å; Y312-W564 AromaticContact CD2-CG 3.7Å; Y312-W564 HydrophobicContact CD2-CG 3.7Å; Y312-W564 HydrophobicContact CD2-CZ3 4.14Å; Y312-W564 HydrophobicContact CE1-CB 3.86Å; Y312-W564 HydrophobicContact CE2-CB 3.54Å; Y312-W564 AromaticContact CE2-CD2 3.67Å; Y312-W564 HydrophobicContact CE2-CD2 3.67Å; Y312-W564 HydrophobicContact CE2-CE3 4.08Å; Y312-W564 AromaticContact CE2-CG 3.43Å; Y312-W564 HydrophobicContact CE2-CG 3.43Å; Y312-W564 VanDerWaalsContact CE2-CG 3.43Å; Y312-W564 HydrophobicContact CG-CB 4.23Å; Y312-W564 HydrophobicContact CG-CD2 4.24Å; Y312-W564 AromaticContact CG-CE3 3.8Å; Y312-W564 HydrophobicContact CG-CE3 3.8Å; Y312-W564 HydrophobicContact CG-CG 4.45Å; Y312-W564 AromaticContact CZ-CG 3.95Å; Y312-V571 HydrophobicContact CD1-CG1 4.1Å; Y312-V571 HydrophobicContact CD1-CG2 4.32Å
313	N	96.9	Very high	97.5	Very high	121 Å²	121	38.2 Å²	38.2	65%	0.647	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	50.9	173.7	-165.6	86.8	0	0	0	113.6	I309 R310 K311	I309-N313 PolarHBondContact O-N 2.83Å; R310-N313 PolarHBondContact O-N 3.25Å; K311-N313 VanDerWaalsContact C-N 3.28Å
314	F	98.1	Very high	97.3	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.057	19%	0.192	C	C	.	.			trans	-104	143.2	172.1	-74.2	-76.8	0	0	0	112.5	W287 I309 P563 W564 V571 A574 R575 T578	W287-F314 HydrophobicContact CH2-CB 4.23Å; W287-F314 HydrophobicContact CH2-CD1 4.3Å; W287-F314 AromaticContact CH2-CD2 3.99Å; W287-F314 HydrophobicContact CH2-CD2 3.99Å; W287-F314 HydrophobicContact CH2-CE2 4.45Å; W287-F314 AromaticContact CH2-CG 3.92Å; W287-F314 HydrophobicContact CH2-CG 3.92Å; W287-F314 HydrophobicContact CZ2-CB 3.58Å; W287-F314 HydrophobicContact CZ2-CD1 4.03Å; W287-F314 HydrophobicContact CZ2-CD2 4.21Å; W287-F314 AromaticContact CZ2-CG 3.69Å; W287-F314 HydrophobicContact CZ2-CG 3.69Å; I309-F314 HydrophobicContact CG2-CB 4Å; I309-F314 PolarHBondContact O-N 3.46Å; F314-P563 HydrophobicContact CE2-CG 3.82Å; F314-P563 HydrophobicContact CZ-CG 3.65Å; F314-W564 HydrophobicContact CD2-CE3 4.43Å; F314-W564 AromaticContact CD2-CZ3 3.99Å; F314-W564 HydrophobicContact CD2-CZ3 3.99Å; F314-W564 HydrophobicContact CE2-CE3 4.23Å; F314-W564 HydrophobicContact CE2-CZ3 4.2Å; F314-V571 HydrophobicContact CE2-CG1 4.21Å; F314-V571 HydrophobicContact CZ-CG1 4.31Å; F314-A574 HydrophobicContact CE1-CB 3.84Å; F314-A574 HydrophobicContact CZ-CB 3.72Å; F314-R575 HydrophobicContact CD1-CG 4.4Å; F314-R575 HydrophobicContact CE1-CB 4.39Å; F314-R575 HydrophobicContact CE1-CG 3.7Å; F314-R575 HydrophobicContact CE2-CG 4.31Å; F314-R575 HydrophobicContact CZ-CG 3.63Å; F314-T578 HydrophobicContact CD1-CG2 4.28Å; F314-T578 HydrophobicContact CE1-CG2 4.38Å
315	N	96.6	Very high	97.3	Very high	78 Å²	78	35.9 Å²	35.9	42%	0.417	18%	0.175	S	C	.	.			trans	-74.8	159.9	166.4	-73.6	-21.7	0	0	0	111.1	H284 P285 W287 E582	H284-N315 HydrophobicContact CB-CB 4.16Å; H284-N315 PolarHBondContact CE1-ND2 2.99Å; P285-N315 WeakPolarHBondContact CG-O 3.45Å; W287-N315 PolarHBondContact NE1-O 2.97Å; N315-E582 PolarHBondContact ND2-OE2 3.08Å
316	C	96.8	Very high	97.2	Very high	28 Å²	28	36.1 Å²	36.1	19%	0.189	18%	0.177	C	C	.	.			trans	-144.2	128.1	-174.5	-174.3	0	0	0	0	110.7	W287 I309 F354	W287-C316 VanDerWaalsContact CD1-SG 3.51Å; I309-C316 HydrophobicContact CG2-CB 4.39Å; C316-F354 HydrophobicContact CB-CD1 4.17Å; C316-F354 HydrophobicContact CB-CE1 3.83Å
317	S	96.9	Very high	97.1	Very high	6 Å²	6	41 Å²	41	4%	0.042	20%	0.197	C	C	.	.	S	Bend	trans	-73.6	-51.8	167.6	165	0	0	0	0	110.5	V280 M281 H284 P285	V280-S317 WeakPolarHBondContact O-CB 3.16Å; M281-S317 PolarHBondContact SD-OG 3.15Å; H284-S317 VanDerWaalsContact O-CB 3.26Å; H284-S317 WeakPolarHBondContact O-CB 3.39Å; P285-S317 PolarHBondContact O-N 3.15Å
318	H	98.1	Very high	97.1	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.023	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	161.7	170.9	60.5	-74.6	0	0	0	110.3	M281 W287 L355 S357	M281-H318 VanDerWaalsContact SD-CE1 3.55Å; W287-H318 PolarHBondContact N-O 3.14Å; H318-L355 HydrophobicContact CB-CB 4.01Å; H318-L355 WeakPolarHBondContact CB-O 3.42Å; H318-S357 PolarHBondContact CD2-OG 3.03Å; H318-S357 PolarHBondContact NE2-OG 2.91Å
319	L	98.3	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.3	165.3	-56.8	174.6	0	0	0	109.1	W287 L302 Y305 A306 I309 L349 F354 L355 V356 S357	W287-L319 HydrophobicContact CB-CD2 4.04Å; W287-L319 CarbonylContact O-C 3.55Å; W287-L319 WeakPolarHBondContact O-CA 3.38Å; L302-L319 HydrophobicContact CD1-CD1 4.39Å; Y305-L319 HydrophobicContact CD1-CD2 4.43Å; A306-L319 HydrophobicContact CB-CD1 3.81Å; I309-L319 HydrophobicContact CD1-CD2 3.42Å; I309-L319 VanDerWaalsContact CD1-CD2 3.42Å; L319-L349 HydrophobicContact CD1-CD1 4.36Å; L319-L349 HydrophobicContact CD1-CD2 3.79Å; L319-F354 HydrophobicContact CD1-CB 3.79Å; L319-F354 HydrophobicContact CD1-CD1 3.92Å; L319-F354 HydrophobicContact CD1-CG 3.83Å; L319-F354 HydrophobicContact CD2-CD1 3.85Å; L319-F354 HydrophobicContact CD2-CE1 4.05Å; L319-F354 HydrophobicContact CG-CB 4.15Å; L319-F354 HydrophobicContact CG-CD1 3.7Å; L319-F354 HydrophobicContact CG-CE1 4.4Å; L319-F354 HydrophobicContact CG-CG 4.12Å; L319-L355 PolarHBondContact N-O 3.26Å; L319-V356 HydrophobicContact CB-CG2 4.4Å; L319-V356 HydrophobicContact CD1-CG2 4.42Å; L319-V356 CarbonylContact O-C 3.48Å; L319-V356 VanDerWaalsContact O-CA 3.3Å; L319-V356 WeakPolarHBondContact O-CA 3.42Å; L319-S357 PolarHBondContact O-N 3.5Å; L319-S357 PolarHBondContact O-OG 2.61Å
320	E	98.2	Very high	97	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.6	172.9	171.5	-176.4	107.7	0	0	109.4	I286 W287 S288 T289 S357 K430 Q558	I286-E320 HydrophobicContact CG2-CB 4.31Å; W287-E320 PolarHBondContact O-N 2.91Å; S288-E320 WeakPolarHBondContact CA-O 3.18Å; S288-E320 WeakPolarHBondContact CB-OE1 3.39Å; S288-E320 PolarHBondContact OG-OE1 3.16Å; T289-E320 PolarHBondContact N-O 2.91Å; T289-E320 PolarHBondContact OG1-O 3.4Å; E320-S357 WeakPolarHBondContact CA-OG 3.29Å; E320-S357 WeakPolarHBondContact CB-OG 3.03Å; E320-K430 HydrophobicContact CG-CB 4.43Å; E320-K430 HydrophobicContact CG-CD 4.15Å; E320-K430 WeakPolarHBondContact OE1-CD 3.38Å; E320-K430 IonicContact OE1-NZ 3.1Å; E320-K430 PolarHBondContact OE1-NZ 3.18Å; E320-K430 WeakPolarHBondContact OE2-CD 3.45Å; E320-Q558 PolarHBondContact OE2-NE2 2.83Å
321	L	98.4	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.9	-179.1	178.2	60.5	0	0	0	111.2	T289 I297 L302 Y325 F334 F339 V356 S357 L358 W359	T289-L321 HydrophobicContact CG2-CD1 4.46Å; I297-L321 HydrophobicContact CB-CD1 4.35Å; I297-L321 HydrophobicContact CD1-CD1 4.47Å; I297-L321 HydrophobicContact CG1-CD1 3.4Å; I297-L321 VanDerWaalsContact CG1-CD1 3.4Å; I297-L321 HydrophobicContact CG2-CD1 3.96Å; L302-L321 HydrophobicContact CD2-CD1 4.28Å; L302-L321 HydrophobicContact CD2-CD2 4.08Å; L321-Y325 HydrophobicContact CD2-CG 4.12Å; L321-Y325 HydrophobicContact CG-CD1 4.37Å; L321-Y325 HydrophobicContact CG-CG 4.37Å; L321-F334 HydrophobicContact CD2-CE1 3.66Å; L321-F334 HydrophobicContact CD2-CZ 4.01Å; L321-F339 HydrophobicContact CD1-CZ 4.21Å; L321-F339 HydrophobicContact CD2-CE1 4.14Å; L321-F339 HydrophobicContact CD2-CZ 4.23Å; L321-V356 HydrophobicContact CB-CG1 4.37Å; L321-S357 PolarHBondContact N-O 3.12Å; L321-L358 HydrophobicContact CB-CD2 3.82Å; L321-L358 HydrophobicContact CD2-CD2 3.85Å; L321-L358 HydrophobicContact CG-CD2 4.22Å; L321-W359 PolarHBondContact O-N 2.88Å
322	D	94.9	Very high	96.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	13%	0.134	C	C	.	.			trans	-157.9	129.8	-167.3	-168.5	-10.6	0	0	0	108.7	T289 W290 W359 K430	T289-D322 CarbonylContact C-O 3.46Å; T289-D322 PolarHBondContact OG1-N 2.75Å; T289-D322 PolarHBondContact OG1-O 3.15Å; W290-D322 HydrophobicContact CB-CB 4.06Å; W290-D322 PolarHBondContact N-O 3.26Å; D322-W359 HydrophobicContact CB-CB 3.82Å; D322-W359 HydrophobicContact CB-CG 4.38Å; D322-W359 VanDerWaalsContact CG-CD1 3.48Å; D322-K430 WeakPolarHBondContact OD2-CE 3.33Å; D322-K430 IonicContact OD2-NZ 2.69Å; D322-K430 PolarHBondContact OD2-NZ 3.22Å
323	D	91.9	Very high	96.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.011	14%	0.14	C	C	.	.	S	Bend	cis	-111	177.8	-5.7	-177	9.8	0	0	0	108.9	W290 K294 R295 I297 Y325 Y329 W359 N396	W290-D323 HydrophobicContact CE3-CB 3.78Å; W290-D323 HydrophobicContact CZ3-CB 3.51Å; K294-D323 PolarHBondContact O-N 3.1Å; R295-D323 HydrophobicContact CG-CB 4.49Å; I297-D323 WeakPolarHBondContact CG2-O 3.38Å; D323-Y325 VanDerWaalsContact C-N 3.33Å; D323-Y325 PolarHBondContact O-N 2.89Å; D323-Y329 WeakPolarHBondContact OD1-CE1 3.48Å; D323-Y329 WeakPolarHBondContact OD2-CE1 3.23Å; D323-Y329 PolarHBondContact OD2-OH 3.48Å; D323-Y329 VanDerWaalsContact OD2-OH 3.05Å; D323-W359 VanDerWaalsContact OD1-CZ3 3.29Å; D323-W359 WeakPolarHBondContact OD1-CZ3 3.29Å; D323-N396 PolarHBondContact OD2-ND2 2.94Å
324	R	94.4	Very high	96.9	Very high	58 Å²	58	23.9 Å²	23.9	22%	0.219	11%	0.111	C	C	.	.			trans	61	35.5	167.3	-68	-71	-57.3	-177.8	5.6	114.2	R295 K327 Y329 K338	R295-R324 HydrophobicContact CB-CB 4.17Å; R295-R324 HydrophobicContact CB-CG 3.81Å; R295-R324 HydrophobicContact CG-CB 4.48Å; R295-R324 HydrophobicContact CG-CG 3.68Å; R324-K327 VanDerWaalsContact CZ-O 3.26Å; R324-K327 PolarHBondContact NH1-O 2.79Å; R324-K327 VanDerWaalsContact NH1-O 3.14Å; R324-K327 PolarHBondContact NH2-O 3.04Å; R324-Y329 VanDerWaalsContact CD-OH 3.29Å; R324-Y329 WeakPolarHBondContact CD-OH 3.37Å; R324-Y329 HydrophobicContact CG-CE1 4.12Å; R324-Y329 WeakPolarHBondContact CG-OH 3.11Å; R324-K338 PolarHBondContact O-NZ 3.22Å
325	Y	97.4	Very high	96.9	Very high	6 Å²	6	24 Å²	24	2%	0.024	11%	0.112	C	C	.	.			trans	-70.2	-20.5	161.2	72.1	-88.1	0	0	0	112.1	L321 D323 F334 D335 L358 W359 I360	L321-Y325 HydrophobicContact CD2-CG 4.12Å; L321-Y325 HydrophobicContact CG-CD1 4.37Å; L321-Y325 HydrophobicContact CG-CG 4.37Å; D323-Y325 VanDerWaalsContact C-N 3.33Å; D323-Y325 PolarHBondContact O-N 2.89Å; Y325-F334 AromaticContact CD2-CD1 3.92Å; Y325-F334 HydrophobicContact CD2-CD1 3.92Å; Y325-F334 HydrophobicContact CD2-CD2 4.27Å; Y325-F334 AromaticContact CD2-CE1 3.73Å; Y325-F334 HydrophobicContact CD2-CE1 3.73Å; Y325-F334 HydrophobicContact CD2-CE2 4.07Å; Y325-F334 HydrophobicContact CD2-CG 4.2Å; Y325-F334 AromaticContact CD2-CZ 3.79Å; Y325-F334 HydrophobicContact CD2-CZ 3.79Å; Y325-F334 HydrophobicContact CE2-CE2 4.37Å; Y325-F334 HydrophobicContact CE2-CZ 4.4Å; Y325-F334 HydrophobicContact CG-CE1 4.15Å; Y325-F334 HydrophobicContact CG-CZ 4.45Å; Y325-F334 WeakPolarHBondContact O-CA 3.44Å; Y325-D335 PolarHBondContact O-N 3.35Å; Y325-L358 HydrophobicContact CD2-CD1 4.5Å; Y325-L358 HydrophobicContact CE1-CB 4.13Å; Y325-L358 HydrophobicContact CE1-CD2 4.47Å; Y325-L358 HydrophobicContact CE2-CD1 3.77Å; Y325-L358 HydrophobicContact CE2-CD2 4.45Å; Y325-W359 WeakPolarHBondContact CE1-O 3.38Å; Y325-W359 PolarHBondContact OH-O 2.82Å; Y325-I360 VanDerWaalsContact OH-CD1 3.32Å; Y325-I360 WeakPolarHBondContact OH-CD1 3.33Å
326	T	97.6	Very high	96.9	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.037	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-93.2	153.7	174.3	64.4	0	0	0	0	111.8	R328 D331 E333	T326-R328 PolarHBondContact OG1-O 2.81Å; T326-R328 VanDerWaalsContact OG1-O 3.08Å; T326-D331 WeakPolarHBondContact CG2-O 3.45Å; T326-E333 WeakPolarHBondContact CA-O 3.24Å; T326-E333 WeakPolarHBondContact CB-O 3.38Å; T326-E333 WeakPolarHBondContact CG2-O 3.28Å
327	K	96.6	Very high	97	Very high	102 Å²	102	29.2 Å²	29.2	44%	0.443	15%	0.148	S	C	.	.	S	Bend	trans	-66.4	-37.5	178.6	-173.2	179.9	177.6	-179.9	0	111.9	R324 D335	R324-K327 VanDerWaalsContact CZ-O 3.26Å; R324-K327 PolarHBondContact NH1-O 2.79Å; R324-K327 VanDerWaalsContact NH1-O 3.14Å; R324-K327 PolarHBondContact NH2-O 3.04Å; K327-D335 HydrophobicContact CB-CB 4.13Å
328	R	97.1	Very high	97	Very high	58 Å²	58	30.8 Å²	30.8	22%	0.219	15%	0.154	C	C	.	.	S	Bend	trans	-141.7	153.7	175.9	-56.3	169.3	-104.4	-139.9	-14.8	110.7	T326 G330 D331 N367 E369	T326-R328 PolarHBondContact OG1-O 2.81Å; T326-R328 VanDerWaalsContact OG1-O 3.08Å; R328-G330 PolarHBondContact O-N 3.25Å; R328-D331 VanDerWaalsContact CB-OD2 3.26Å; R328-D331 WeakPolarHBondContact CB-OD2 3.43Å; R328-D331 PolarHBondContact N-OD2 3.08Å; R328-D331 VanDerWaalsContact N-OD2 3.08Å; R328-D331 IonicContact NE-OD2 3.6Å; R328-D331 PolarHBondContact NE-OD2 3.13Å; R328-D331 VanDerWaalsContact O-CB 3.27Å; R328-D331 WeakPolarHBondContact O-CB 3.39Å; R328-D331 PolarHBondContact O-N 2.91Å; R328-N367 WeakPolarHBondContact CD-O 3.46Å; R328-N367 PolarHBondContact NE-O 2.95Å; R328-N367 PolarHBondContact NH1-O 3.24Å; R328-E369 IonicContact CZ-OE1 3.6Å; R328-E369 IonicContact NH2-OE1 2.74Å; R328-E369 PolarHBondContact NH2-OE1 3.47Å
329	Y	97.9	Very high	97.1	Very high	15 Å²	15	30.7 Å²	30.7	6%	0.059	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	127	176.9	-59.5	-72.8	0	0	0	110.9	R295 D323 R324 W359 N365 W394 N396	R295-Y329 PolarHBondContact NE-OH 2.77Å; D323-Y329 WeakPolarHBondContact OD1-CE1 3.48Å; D323-Y329 WeakPolarHBondContact OD2-CE1 3.23Å; D323-Y329 PolarHBondContact OD2-OH 3.48Å; D323-Y329 VanDerWaalsContact OD2-OH 3.05Å; R324-Y329 VanDerWaalsContact CD-OH 3.29Å; R324-Y329 WeakPolarHBondContact CD-OH 3.37Å; R324-Y329 HydrophobicContact CG-CE1 4.12Å; R324-Y329 WeakPolarHBondContact CG-OH 3.11Å; Y329-W359 HydrophobicContact CD1-CH2 4.29Å; Y329-W359 HydrophobicContact CD1-CZ3 4.18Å; Y329-W359 HydrophobicContact CE1-CH2 4.34Å; Y329-W359 HydrophobicContact CE1-CZ3 4.3Å; Y329-N365 PolarHBondContact O-N 3Å; Y329-W394 AromaticContact CD1-CH2 3.76Å; Y329-W394 HydrophobicContact CD1-CH2 3.76Å; Y329-W394 HydrophobicContact CD1-CZ2 4.15Å; Y329-W394 HydrophobicContact CD2-CZ2 4.33Å; Y329-W394 HydrophobicContact CE1-CH2 4.36Å; Y329-W394 AromaticContact CG-CH2 3.91Å; Y329-W394 HydrophobicContact CG-CH2 3.91Å; Y329-W394 AromaticContact CG-CZ2 3.8Å; Y329-W394 HydrophobicContact CG-CZ2 3.8Å; Y329-N396 HydrophobicContact CD1-CB 4.22Å; Y329-N396 HydrophobicContact CD2-CB 3.97Å; Y329-N396 WeakPolarHBondContact CD2-O 3.14Å; Y329-N396 HydrophobicContact CE1-CB 3.88Å; Y329-N396 WeakPolarHBondContact CE1-ND2 3.47Å; Y329-N396 HydrophobicContact CE2-CB 3.61Å; Y329-N396 WeakPolarHBondContact CE2-O 3.38Å; Y329-N396 HydrophobicContact CG-CB 4.25Å; Y329-N396 VanDerWaalsContact CZ-ND2 3.27Å; Y329-N396 PolarHBondContact OH-ND2 3.04Å; Y329-N396 PolarHBondContact OH-OD1 2.74Å; Y329-N396 VanDerWaalsContact OH-OD1 3.05Å
330	G	96.9	Very high	97	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-5.9	-168.2	0	0	0	0	0	115.4	R328 F332 F363 S368 N370	R328-G330 PolarHBondContact O-N 3.25Å; G330-F332 WeakPolarHBondContact O-CD2 3.37Å; G330-F332 WeakPolarHBondContact O-CE2 3.41Å; G330-F363 WeakPolarHBondContact CA-O 3.31Å; G330-S368 PolarHBondContact O-OG 2.71Å; G330-N370 PolarHBondContact O-ND2 2.88Å
331	D	97.1	Very high	97	Very high	18 Å²	18	38.6 Å²	38.6	10%	0.096	20%	0.2	C	C	.	.			trans	-75.1	144.9	160.1	-59.1	-11.9	0	0	0	108	T326 R328 S368 E369	T326-D331 WeakPolarHBondContact CG2-O 3.45Å; R328-D331 VanDerWaalsContact CB-OD2 3.26Å; R328-D331 WeakPolarHBondContact CB-OD2 3.43Å; R328-D331 PolarHBondContact N-OD2 3.08Å; R328-D331 VanDerWaalsContact N-OD2 3.08Å; R328-D331 IonicContact NE-OD2 3.6Å; R328-D331 PolarHBondContact NE-OD2 3.13Å; R328-D331 VanDerWaalsContact O-CB 3.27Å; R328-D331 WeakPolarHBondContact O-CB 3.39Å; R328-D331 PolarHBondContact O-N 2.91Å; D331-S368 PolarHBondContact N-OG 3.38Å; D331-S368 WeakPolarHBondContact OD1-CA 3.33Å; D331-S368 VanDerWaalsContact OD1-CB 3.28Å; D331-S368 WeakPolarHBondContact OD1-CB 3.42Å; D331-S368 PolarHBondContact OD1-OG 3.35Å; D331-E369 PolarHBondContact OD1-N 3.2Å
332	F	96.3	Very high	97	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.057	20%	0.202	C	C	.	.			trans	-118.2	45.3	178.3	-71.8	-98	0	0	0	110.4	G330 I360 W412 F413 Q416 L417 L420	G330-F332 WeakPolarHBondContact O-CD2 3.37Å; G330-F332 WeakPolarHBondContact O-CE2 3.41Å; F332-I360 HydrophobicContact CD1-CD1 4.26Å; F332-I360 HydrophobicContact CE1-CD1 4.11Å; F332-I360 HydrophobicContact CE1-CG2 4.37Å; F332-W412 AromaticContact CD2-CH2 3.81Å; F332-W412 HydrophobicContact CD2-CH2 3.81Å; F332-W412 HydrophobicContact CD2-CZ3 4.49Å; F332-W412 AromaticContact CE2-CH2 3.57Å; F332-W412 HydrophobicContact CE2-CH2 3.57Å; F332-W412 AromaticContact CE2-CZ3 3.9Å; F332-W412 HydrophobicContact CE2-CZ3 3.9Å; F332-W412 HydrophobicContact CZ-CZ3 4.45Å; F332-F413 HydrophobicContact CE1-CD2 4.06Å; F332-F413 AromaticContact CE1-CE2 3.91Å; F332-F413 HydrophobicContact CE1-CE2 3.91Å; F332-F413 AromaticContact CZ-CD2 3.75Å; F332-F413 HydrophobicContact CZ-CD2 3.75Å; F332-F413 AromaticContact CZ-CE2 3.76Å; F332-F413 HydrophobicContact CZ-CE2 3.76Å; F332-Q416 HydrophobicContact CB-CB 3.73Å; F332-Q416 HydrophobicContact CB-CG 4.06Å; F332-Q416 HydrophobicContact CD1-CB 3.56Å; F332-Q416 HydrophobicContact CD1-CG 4.24Å; F332-Q416 HydrophobicContact CD2-CB 4.13Å; F332-Q416 HydrophobicContact CD2-CG 3.89Å; F332-Q416 HydrophobicContact CE1-CB 4.19Å; F332-Q416 HydrophobicContact CE2-CG 4.43Å; F332-Q416 HydrophobicContact CG-CB 3.53Å; F332-Q416 HydrophobicContact CG-CG 3.8Å; F332-L417 HydrophobicContact CD1-CD2 4.33Å; F332-L417 HydrophobicContact CE1-CD2 4.19Å; F332-L420 HydrophobicContact CB-CD1 4.44Å; F332-L420 HydrophobicContact CD1-CD1 4.28Å; F332-L420 WeakPolarHBondContact O-CD2 3.38Å
333	E	96.7	Very high	97.1	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.36	22%	0.216	S	C	.	.	S	Bend	trans	-150.4	146.2	-173.6	-174.1	59.1	-83	0	0	109.7	T326 K423 Y424	T326-E333 WeakPolarHBondContact CA-O 3.24Å; T326-E333 WeakPolarHBondContact CB-O 3.38Å; T326-E333 WeakPolarHBondContact CG2-O 3.28Å; E333-K423 IonicContact OE1-NZ 3.74Å; E333-K423 PolarHBondContact OE1-NZ 2.94Å; E333-K423 VanDerWaalsContact OE1-NZ 3.1Å; E333-K423 IonicContact OE2-NZ 3.75Å; E333-K423 PolarHBondContact OE2-NZ 3.48Å; E333-Y424 VanDerWaalsContact OE1-CE2 3.32Å; E333-Y424 WeakPolarHBondContact OE1-CE2 3.21Å; E333-Y424 PolarHBondContact OE1-OH 3.13Å
334	F	98.1	Very high	97.4	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.039	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-67	140.5	179.6	-84.2	-94	0	0	0	112	L321 Y325 P336 F339 A342 M345 F346 L358 Y424	L321-F334 HydrophobicContact CD2-CE1 3.66Å; L321-F334 HydrophobicContact CD2-CZ 4.01Å; Y325-F334 AromaticContact CD2-CD1 3.92Å; Y325-F334 HydrophobicContact CD2-CD1 3.92Å; Y325-F334 HydrophobicContact CD2-CD2 4.27Å; Y325-F334 AromaticContact CD2-CE1 3.73Å; Y325-F334 HydrophobicContact CD2-CE1 3.73Å; Y325-F334 HydrophobicContact CD2-CE2 4.07Å; Y325-F334 HydrophobicContact CD2-CG 4.2Å; Y325-F334 AromaticContact CD2-CZ 3.79Å; Y325-F334 HydrophobicContact CD2-CZ 3.79Å; Y325-F334 HydrophobicContact CE2-CE2 4.37Å; Y325-F334 HydrophobicContact CE2-CZ 4.4Å; Y325-F334 HydrophobicContact CG-CE1 4.15Å; Y325-F334 HydrophobicContact CG-CZ 4.45Å; Y325-F334 WeakPolarHBondContact O-CA 3.44Å; F334-P336 VanDerWaalsContact O-CD 3.27Å; F334-P336 WeakPolarHBondContact O-CD 3.46Å; F334-F339 HydrophobicContact CB-CB 4.28Å; F334-F339 HydrophobicContact CD1-CB 3.66Å; F334-F339 HydrophobicContact CD1-CD1 4.01Å; F334-F339 AromaticContact CD1-CD2 3.82Å; F334-F339 HydrophobicContact CD1-CD2 3.82Å; F334-F339 AromaticContact CD1-CG 3.55Å; F334-F339 HydrophobicContact CD1-CG 3.55Å; F334-F339 HydrophobicContact CE1-CB 4.48Å; F334-F339 HydrophobicContact CE1-CD1 4.05Å; F334-F339 HydrophobicContact CE1-CD2 4.4Å; F334-F339 HydrophobicContact CE1-CE1 4.41Å; F334-F339 HydrophobicContact CE1-CG 4.05Å; F334-F339 HydrophobicContact CG-CB 4.37Å; F334-A342 HydrophobicContact CB-CB 4.07Å; F334-A342 HydrophobicContact CD1-CB 4.1Å; F334-A342 HydrophobicContact CD2-CB 4.18Å; F334-A342 HydrophobicContact CG-CB 3.84Å; F334-M345 HydrophobicContact CE1-CE 4.28Å; F334-F346 HydrophobicContact CE1-CE2 4.17Å; F334-F346 HydrophobicContact CE2-CE2 4.01Å; F334-F346 HydrophobicContact CE2-CZ 4.26Å; F334-F346 AromaticContact CZ-CE2 3.45Å; F334-F346 HydrophobicContact CZ-CE2 3.45Å; F334-F346 VanDerWaalsContact CZ-CE2 3.45Å; F334-F346 AromaticContact CZ-CZ 3.78Å; F334-F346 HydrophobicContact CZ-CZ 3.78Å; F334-L358 HydrophobicContact CE2-CD1 4.19Å; F334-L358 HydrophobicContact CZ-CD1 4.3Å; F334-L358 HydrophobicContact CZ-CD2 4.01Å; F334-Y424 AromaticContact CD2-CD2 3.85Å; F334-Y424 HydrophobicContact CD2-CD2 3.85Å; F334-Y424 HydrophobicContact CD2-CE1 4.37Å; F334-Y424 AromaticContact CD2-CE2 3.55Å; F334-Y424 HydrophobicContact CD2-CE2 3.55Å; F334-Y424 HydrophobicContact CD2-CG 4.37Å; F334-Y424 AromaticContact CD2-CZ 3.82Å; F334-Y424 AromaticContact CE2-CD2 3.86Å; F334-Y424 HydrophobicContact CE2-CD2 3.86Å; F334-Y424 HydrophobicContact CE2-CE2 4.06Å; F334-Y424 HydrophobicContact CE2-CG 4.18Å
335	D	98.3	Very high	97.6	Very high	16 Å²	16	43.8 Å²	43.8	9%	0.086	23%	0.232	C	C	.	.			trans	-68.7	113.3	169.7	-169.2	-22.5	0	0	0	109.5	Y325 K327 V337 K338 F339	Y325-D335 PolarHBondContact O-N 3.35Å; K327-D335 HydrophobicContact CB-CB 4.13Å; D335-V337 PolarHBondContact O-N 2.97Å; D335-V337 VanDerWaalsContact O-N 3.13Å; D335-V337 WeakPolarHBondContact OD1-CB 3.44Å; D335-V337 PolarHBondContact OD1-N 3.09Å; D335-K338 HydrophobicContact CB-CB 4.3Å; D335-K338 HydrophobicContact CB-CG 4.35Å; D335-K338 PolarHBondContact O-N 2.87Å; D335-K338 VanDerWaalsContact O-N 3.12Å; D335-F339 PolarHBondContact O-N 3.36Å
336	P	97.6	Very high	97.7	Very high	90 Å²	90	44 Å²	44	58%	0.584	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.4	-178.6	30.2	-36.8	0	0	0	113.1	F334 P340	F334-P336 VanDerWaalsContact O-CD 3.27Å; F334-P336 WeakPolarHBondContact O-CD 3.46Å; P336-P340 VanDerWaalsContact O-CA 3.28Å; P336-P340 WeakPolarHBondContact O-CA 3.36Å
337	V	98.1	Very high	97.7	Very high	125 Å²	125	50.2 Å²	50.2	76%	0.758	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-40.2	172.9	-177.2	0	0	0	0	110.9	D335	D335-V337 PolarHBondContact O-N 2.97Å; D335-V337 VanDerWaalsContact O-N 3.13Å; D335-V337 WeakPolarHBondContact OD1-CB 3.44Å; D335-V337 PolarHBondContact OD1-N 3.09Å
338	K	98.1	Very high	97.8	Very high	40 Å²	40	50.1 Å²	50.1	17%	0.174	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-28	-178.3	-58.6	-176.5	73.9	-157.7	0	112.8	R295 I297 D298 Q299 R324 D335	R295-K338 PolarHBondContact O-NZ 2.66Å; I297-K338 WeakPolarHBondContact O-CE 3.44Å; I297-K338 PolarHBondContact O-NZ 3.14Å; D298-K338 HydrophobicContact CB-CB 4.38Å; D298-K338 WeakPolarHBondContact CB-O 3.5Å; Q299-K338 PolarHBondContact N-O 2.7Å; R324-K338 PolarHBondContact O-NZ 3.22Å; D335-K338 HydrophobicContact CB-CB 4.3Å; D335-K338 HydrophobicContact CB-CG 4.35Å; D335-K338 PolarHBondContact O-N 2.87Å; D335-K338 VanDerWaalsContact O-N 3.12Å
339	F	98.4	Very high	97.8	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	25%	0.251	C	S	.	.			trans	-134.6	63.8	-176.2	-60.5	-91.5	0	0	0	111	I297 D298 Q299 L321 F334 D335 N341 A342 M345	I297-F339 HydrophobicContact CG1-CZ 4.45Å; I297-F339 WeakPolarHBondContact O-CZ 3.3Å; D298-F339 VanDerWaalsContact CA-CZ 3.49Å; Q299-F339 HydrophobicContact CB-CD1 3.81Å; Q299-F339 HydrophobicContact CB-CE1 4.42Å; Q299-F339 HydrophobicContact CB-CG 4.44Å; L321-F339 HydrophobicContact CD1-CZ 4.21Å; L321-F339 HydrophobicContact CD2-CE1 4.14Å; L321-F339 HydrophobicContact CD2-CZ 4.23Å; F334-F339 HydrophobicContact CB-CB 4.28Å; F334-F339 HydrophobicContact CD1-CB 3.66Å; F334-F339 HydrophobicContact CD1-CD1 4.01Å; F334-F339 AromaticContact CD1-CD2 3.82Å; F334-F339 HydrophobicContact CD1-CD2 3.82Å; F334-F339 AromaticContact CD1-CG 3.55Å; F334-F339 HydrophobicContact CD1-CG 3.55Å; F334-F339 HydrophobicContact CE1-CB 4.48Å; F334-F339 HydrophobicContact CE1-CD1 4.05Å; F334-F339 HydrophobicContact CE1-CD2 4.4Å; F334-F339 HydrophobicContact CE1-CE1 4.41Å; F334-F339 HydrophobicContact CE1-CG 4.05Å; F334-F339 HydrophobicContact CG-CB 4.37Å; D335-F339 PolarHBondContact O-N 3.36Å; F339-N341 PolarHBondContact O-N 3.11Å; F339-A342 HydrophobicContact CB-CB 4.16Å; F339-A342 PolarHBondContact O-N 2.84Å; F339-M345 HydrophobicContact CD1-CE 3.68Å; F339-M345 HydrophobicContact CD1-SD 3.74Å; F339-M345 HydrophobicContact CE1-CE 4.11Å; F339-M345 HydrophobicContact CE1-SD 4.09Å
340	P	97.9	Very high	97.8	Very high	79 Å²	79	54.1 Å²	54.1	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31	-171.6	23.5	-34.7	0	0	0	113.9	P336	P336-P340 VanDerWaalsContact O-CA 3.28Å; P336-P340 WeakPolarHBondContact O-CA 3.36Å
341	N	97.6	Very high	97.8	Very high	88 Å²	88	58.3 Å²	58.3	47%	0.471	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	47.9	179.7	-61.1	-52	0	0	0	111.4	F339 S343 E344 M345	F339-N341 PolarHBondContact O-N 3.11Å; N341-S343 VanDerWaalsContact C-N 3.26Å; N341-S343 PolarHBondContact O-N 3.37Å; N341-S343 VanDerWaalsContact O-N 3.1Å; N341-E344 HydrophobicContact CB-CB 4.12Å; N341-E344 WeakPolarHBondContact O-CB 3.36Å; N341-E344 PolarHBondContact O-N 2.71Å; N341-M345 PolarHBondContact O-N 2.9Å
342	A	97.9	Very high	97.8	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-49.4	-39.4	-176.2	0	0	0	0	0	114.4	F334 F339 M345 F346 Y424	F334-A342 HydrophobicContact CB-CB 4.07Å; F334-A342 HydrophobicContact CD1-CB 4.1Å; F334-A342 HydrophobicContact CD2-CB 4.18Å; F334-A342 HydrophobicContact CG-CB 3.84Å; F339-A342 HydrophobicContact CB-CB 4.16Å; F339-A342 PolarHBondContact O-N 2.84Å; A342-M345 PolarHBondContact O-N 3.02Å; A342-F346 VanDerWaalsContact O-CD2 3.28Å; A342-F346 WeakPolarHBondContact O-CD2 3.45Å; A342-F346 PolarHBondContact O-N 3Å; A342-Y424 HydrophobicContact CB-CD1 4.01Å; A342-Y424 HydrophobicContact CB-CE1 3.51Å
343	S	97.8	Very high	97.8	Very high	45 Å²	45	61.9 Å²	61.9	32%	0.315	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-38.8	177.1	-63.8	0	0	0	0	113.3	N341 Q347 Y424	N341-S343 VanDerWaalsContact C-N 3.26Å; N341-S343 PolarHBondContact O-N 3.37Å; N341-S343 VanDerWaalsContact O-N 3.1Å; S343-Q347 VanDerWaalsContact O-CG 3.25Å; S343-Q347 WeakPolarHBondContact O-CG 3.49Å; S343-Q347 PolarHBondContact O-N 3.13Å; S343-Q347 VanDerWaalsContact O-N 3.09Å; S343-Y424 WeakPolarHBondContact OG-CD1 3.12Å; S343-Y424 VanDerWaalsContact OG-CE1 3.25Å; S343-Y424 WeakPolarHBondContact OG-CE1 3.49Å
344	E	98.2	Very high	97.9	Very high	122 Å²	122	58.9 Å²	58.9	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-70.4	-41.4	175.5	-173.8	-178.5	-166.8	0	0	110.9	N341 F346 Q347 K348	N341-E344 HydrophobicContact CB-CB 4.12Å; N341-E344 WeakPolarHBondContact O-CB 3.36Å; N341-E344 PolarHBondContact O-N 2.71Å; E344-F346 PolarHBondContact O-N 2.9Å; E344-Q347 WeakPolarHBondContact O-CB 3.39Å; E344-Q347 PolarHBondContact O-N 3.25Å; E344-K348 WeakPolarHBondContact O-CB 3.44Å; E344-K348 PolarHBondContact O-N 2.92Å
345	M	98.4	Very high	97.9	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-55.3	-48.5	173.9	-179.1	-172.5	71.9	0	0	111.5	Q299 L302 L303 F334 F339 N341 A342 K348 L349	Q299-M345 HydrophobicContact CB-SD 3.79Å; Q299-M345 HydrophobicContact CG-CB 4.16Å; Q299-M345 HydrophobicContact CG-CG 4.07Å; Q299-M345 HydrophobicContact CG-SD 3.7Å; L302-M345 HydrophobicContact CB-SD 4.43Å; L302-M345 HydrophobicContact CD2-CE 3.81Å; L302-M345 HydrophobicContact CD2-SD 3.86Å; L303-M345 HydrophobicContact CD1-CG 4.28Å; L303-M345 HydrophobicContact CD2-CG 3.99Å; L303-M345 HydrophobicContact CG-CG 3.99Å; F334-M345 HydrophobicContact CE1-CE 4.28Å; F339-M345 HydrophobicContact CD1-CE 3.68Å; F339-M345 HydrophobicContact CD1-SD 3.74Å; F339-M345 HydrophobicContact CE1-CE 4.11Å; F339-M345 HydrophobicContact CE1-SD 4.09Å; N341-M345 PolarHBondContact O-N 2.9Å; A342-M345 PolarHBondContact O-N 3.02Å; M345-K348 PolarHBondContact O-N 3.12Å; M345-L349 HydrophobicContact CG-CD1 4.11Å; M345-L349 WeakPolarHBondContact O-CB 3.28Å; M345-L349 VanDerWaalsContact O-CG 3.31Å; M345-L349 WeakPolarHBondContact O-CG 3.31Å; M345-L349 PolarHBondContact O-N 3.47Å
346	F	98.5	Very high	97.9	Very high	10 Å²	10	60.8 Å²	60.8	4%	0.044	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-37	177.2	-89.1	-110.2	0	0	0	112.8	F334 A342 E344 K348 K350 V356 L358 Y424 V426	F334-F346 HydrophobicContact CE1-CE2 4.17Å; F334-F346 HydrophobicContact CE2-CE2 4.01Å; F334-F346 HydrophobicContact CE2-CZ 4.26Å; F334-F346 AromaticContact CZ-CE2 3.45Å; F334-F346 HydrophobicContact CZ-CE2 3.45Å; F334-F346 VanDerWaalsContact CZ-CE2 3.45Å; F334-F346 AromaticContact CZ-CZ 3.78Å; F334-F346 HydrophobicContact CZ-CZ 3.78Å; A342-F346 VanDerWaalsContact O-CD2 3.28Å; A342-F346 WeakPolarHBondContact O-CD2 3.45Å; A342-F346 PolarHBondContact O-N 3Å; E344-F346 PolarHBondContact O-N 2.9Å; F346-K348 VanDerWaalsContact C-N 3.35Å; F346-K350 VanDerWaalsContact O-CB 3.25Å; F346-K350 WeakPolarHBondContact O-CB 3.48Å; F346-K350 PolarHBondContact O-N 3.39Å; F346-V356 HydrophobicContact CD1-CB 4.31Å; F346-V356 HydrophobicContact CD1-CG2 4.38Å; F346-V356 HydrophobicContact CE1-CB 3.62Å; F346-V356 HydrophobicContact CE1-CG1 3.82Å; F346-V356 HydrophobicContact CE1-CG2 4.1Å; F346-V356 HydrophobicContact CZ-CB 4.05Å; F346-V356 HydrophobicContact CZ-CG1 3.71Å; F346-V356 HydrophobicContact CZ-CG2 4.48Å; F346-L358 HydrophobicContact CZ-CD2 4.22Å; F346-Y424 WeakPolarHBondContact CB-O 3.46Å; F346-Y424 WeakPolarHBondContact CD1-O 3.46Å; F346-Y424 WeakPolarHBondContact CG-O 3.22Å; F346-V426 HydrophobicContact CE1-CB 4.47Å; F346-V426 HydrophobicContact CE1-CG2 3.66Å; F346-V426 HydrophobicContact CZ-CG2 3.99Å
347	Q	98	Very high	97.9	Very high	137 Å²	137	56.5 Å²	56.5	64%	0.64	31%	0.314	S	S	*	.	H	α-helix	trans	-62.4	-42.6	173.1	-73.6	171	21.5	0	0	111.4	S343 E344 K350 S351	S343-Q347 VanDerWaalsContact O-CG 3.25Å; S343-Q347 WeakPolarHBondContact O-CG 3.49Å; S343-Q347 PolarHBondContact O-N 3.13Å; S343-Q347 VanDerWaalsContact O-N 3.09Å; E344-Q347 WeakPolarHBondContact O-CB 3.39Å; E344-Q347 PolarHBondContact O-N 3.25Å; Q347-K350 PolarHBondContact O-N 2.78Å; Q347-S351 WeakPolarHBondContact O-CB 3.26Å; Q347-S351 PolarHBondContact O-N 3.17Å
348	K	98.1	Very high	98	Very high	100 Å²	100	50.6 Å²	50.6	44%	0.435	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-52.4	176	-176.5	61.2	171.9	75.8	0	111.4	L303 E344 M345 F346 K350 S351 D352	L303-K348 HydrophobicContact CD2-CB 4.3Å; L303-K348 HydrophobicContact CD2-CG 4.06Å; E344-K348 WeakPolarHBondContact O-CB 3.44Å; E344-K348 PolarHBondContact O-N 2.92Å; M345-K348 PolarHBondContact O-N 3.12Å; F346-K348 VanDerWaalsContact C-N 3.35Å; K348-K350 VanDerWaalsContact C-N 3.3Å; K348-K350 PolarHBondContact O-N 3.35Å; K348-S351 CarbonylContact O-C 3.39Å; K348-S351 WeakPolarHBondContact O-CA 3.27Å; K348-S351 PolarHBondContact O-N 2.97Å; K348-S351 PolarHBondContact O-OG 2.72Å; K348-D352 IonicContact NZ-OD1 3.77Å; K348-D352 PolarHBondContact NZ-OD1 3.46Å; K348-D352 IonicContact NZ-OD2 3.61Å; K348-D352 PolarHBondContact NZ-OD2 3.19Å; K348-D352 PolarHBondContact O-N 3.41Å
349	L	98.5	Very high	98	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-54.8	-45.6	176.9	-71.2	172.2	0	0	0	111.4	L302 L303 A306 L319 M345 S351 D352 G353 F354 V356	L302-L349 HydrophobicContact CD2-CD1 3.88Å; L302-L349 HydrophobicContact CG-CD1 4.16Å; L303-L349 HydrophobicContact CD2-CD2 3.98Å; L303-L349 HydrophobicContact CD2-CG 4.01Å; A306-L349 HydrophobicContact CB-CD2 3.41Å; A306-L349 VanDerWaalsContact CB-CD2 3.41Å; L319-L349 HydrophobicContact CD1-CD1 4.36Å; L319-L349 HydrophobicContact CD1-CD2 3.79Å; M345-L349 HydrophobicContact CG-CD1 4.11Å; M345-L349 WeakPolarHBondContact O-CB 3.28Å; M345-L349 VanDerWaalsContact O-CG 3.31Å; M345-L349 WeakPolarHBondContact O-CG 3.31Å; M345-L349 PolarHBondContact O-N 3.47Å; L349-S351 PolarHBondContact O-N 2.9Å; L349-D352 CarbonylContact O-C 3.18Å; L349-D352 WeakPolarHBondContact O-CB 3.45Å; L349-D352 PolarHBondContact O-N 2.88Å; L349-D352 VanDerWaalsContact O-N 3.13Å; L349-G353 PolarHBondContact O-N 3.18Å; L349-F354 HydrophobicContact CB-CB 4.26Å; L349-F354 HydrophobicContact CD2-CD2 4.47Å; L349-F354 WeakPolarHBondContact O-CB 3.25Å; L349-F354 PolarHBondContact O-N 2.95Å; L349-V356 HydrophobicContact CB-CG2 4.47Å; L349-V356 HydrophobicContact CD1-CG2 3.78Å
350	K	97.8	Very high	97.9	Very high	156 Å²	156	49 Å²	49	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-40.9	175.5	-174.6	178.3	178.5	-178.5	0	112.8	F346 Q347 K348 D352 G353 F354	F346-K350 VanDerWaalsContact O-CB 3.25Å; F346-K350 WeakPolarHBondContact O-CB 3.48Å; F346-K350 PolarHBondContact O-N 3.39Å; Q347-K350 PolarHBondContact O-N 2.78Å; K348-K350 VanDerWaalsContact C-N 3.3Å; K348-K350 PolarHBondContact O-N 3.35Å; K350-D352 PolarHBondContact O-N 3.47Å; K350-G353 PolarHBondContact O-N 3.27Å; K350-F354 WeakPolarHBondContact CA-O 3.33Å
351	S	97.5	Very high	97.9	Very high	88 Å²	88	45.7 Å²	45.7	62%	0.615	25%	0.249	S	C	*	.	H	α-helix	trans	-66.6	-26.6	175.1	75.3	0	0	0	0	112.9	Q347 K348 L349 G353	Q347-S351 WeakPolarHBondContact O-CB 3.26Å; Q347-S351 PolarHBondContact O-N 3.17Å; K348-S351 CarbonylContact O-C 3.39Å; K348-S351 WeakPolarHBondContact O-CA 3.27Å; K348-S351 PolarHBondContact O-N 2.97Å; K348-S351 PolarHBondContact O-OG 2.72Å; L349-S351 PolarHBondContact O-N 2.9Å; S351-G353 VanDerWaalsContact C-N 3.28Å; S351-G353 PolarHBondContact O-N 3.1Å
352	D	96.8	Very high	97.9	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.214	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.2	175.3	-68.5	-29.7	0	0	0	113.6	R310 K348 L349 K350 F354	R310-D352 PolarHBondContact NH1-O 2.96Å; R310-D352 IonicContact NH1-OD1 2.71Å; K348-D352 IonicContact NZ-OD1 3.77Å; K348-D352 PolarHBondContact NZ-OD1 3.46Å; K348-D352 IonicContact NZ-OD2 3.61Å; K348-D352 PolarHBondContact NZ-OD2 3.19Å; K348-D352 PolarHBondContact O-N 3.41Å; L349-D352 CarbonylContact O-C 3.18Å; L349-D352 WeakPolarHBondContact O-CB 3.45Å; L349-D352 PolarHBondContact O-N 2.88Å; L349-D352 VanDerWaalsContact O-N 3.13Å; K350-D352 PolarHBondContact O-N 3.47Å; D352-F354 HydrophobicContact CB-CD2 3.87Å; D352-F354 HydrophobicContact CB-CE2 4.22Å
353	G	96.4	Very high	98	Very high	67 Å²	67	41.3 Å²	41.3	69%	0.691	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.4	0.3	-179.5	0	0	0	0	0	115.1	L349 K350 S351	L349-G353 PolarHBondContact O-N 3.18Å; K350-G353 PolarHBondContact O-N 3.27Å; S351-G353 VanDerWaalsContact C-N 3.28Å; S351-G353 PolarHBondContact O-N 3.1Å
354	F	98	Very high	98	Very high	13 Å²	13	39.1 Å²	39.1	6%	0.057	21%	0.209	C	C	.	.			trans	-89.3	136.2	-176.7	-66.5	-76.4	0	0	0	113.3	A306 I309 R310 C316 L319 L349 K350 D352	A306-F354 HydrophobicContact CB-CD2 3.93Å; A306-F354 HydrophobicContact CB-CE2 3.75Å; A306-F354 HydrophobicContact CB-CG 4.47Å; A306-F354 HydrophobicContact CB-CZ 4.16Å; A306-F354 WeakPolarHBondContact O-CE2 3.15Å; A306-F354 WeakPolarHBondContact O-CZ 3.5Å; I309-F354 HydrophobicContact CB-CE1 4.3Å; I309-F354 HydrophobicContact CB-CZ 4.08Å; I309-F354 HydrophobicContact CD1-CE1 4.17Å; I309-F354 HydrophobicContact CG2-CE1 4.02Å; I309-F354 HydrophobicContact CG2-CZ 4.1Å; R310-F354 HydrophobicContact CG-CE2 3.94Å; R310-F354 HydrophobicContact CG-CZ 3.83Å; C316-F354 HydrophobicContact CB-CD1 4.17Å; C316-F354 HydrophobicContact CB-CE1 3.83Å; L319-F354 HydrophobicContact CD1-CB 3.79Å; L319-F354 HydrophobicContact CD1-CD1 3.92Å; L319-F354 HydrophobicContact CD1-CG 3.83Å; L319-F354 HydrophobicContact CD2-CD1 3.85Å; L319-F354 HydrophobicContact CD2-CE1 4.05Å; L319-F354 HydrophobicContact CG-CB 4.15Å; L319-F354 HydrophobicContact CG-CD1 3.7Å; L319-F354 HydrophobicContact CG-CE1 4.4Å; L319-F354 HydrophobicContact CG-CG 4.12Å; L349-F354 HydrophobicContact CB-CB 4.26Å; L349-F354 HydrophobicContact CD2-CD2 4.47Å; L349-F354 WeakPolarHBondContact O-CB 3.25Å; L349-F354 PolarHBondContact O-N 2.95Å; K350-F354 WeakPolarHBondContact CA-O 3.33Å; D352-F354 HydrophobicContact CB-CD2 3.87Å; D352-F354 HydrophobicContact CB-CE2 4.22Å
355	L	97.8	Very high	98	Very high	62 Å²	62	33.8 Å²	33.8	33%	0.325	19%	0.185	S	C	.	.			trans	-97	151.9	161.6	-59.4	-179	0	0	0	108.9	H318 L319	H318-L355 HydrophobicContact CB-CB 4.01Å; H318-L355 WeakPolarHBondContact CB-O 3.42Å; L319-L355 PolarHBondContact N-O 3.26Å
356	V	98.4	Very high	97.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.3	-179.3	-176.6	0	0	0	0	110.2	L319 L321 F346 L349 L358 S427	L319-V356 HydrophobicContact CB-CG2 4.4Å; L319-V356 HydrophobicContact CD1-CG2 4.42Å; L319-V356 CarbonylContact O-C 3.48Å; L319-V356 VanDerWaalsContact O-CA 3.3Å; L319-V356 WeakPolarHBondContact O-CA 3.42Å; L321-V356 HydrophobicContact CB-CG1 4.37Å; F346-V356 HydrophobicContact CD1-CB 4.31Å; F346-V356 HydrophobicContact CD1-CG2 4.38Å; F346-V356 HydrophobicContact CE1-CB 3.62Å; F346-V356 HydrophobicContact CE1-CG1 3.82Å; F346-V356 HydrophobicContact CE1-CG2 4.1Å; F346-V356 HydrophobicContact CZ-CB 4.05Å; F346-V356 HydrophobicContact CZ-CG1 3.71Å; F346-V356 HydrophobicContact CZ-CG2 4.48Å; L349-V356 HydrophobicContact CB-CG2 4.47Å; L349-V356 HydrophobicContact CD1-CG2 3.78Å; V356-L358 HydrophobicContact CG1-CD2 4.22Å; V356-S427 WeakPolarHBondContact O-CB 3.25Å; V356-S427 PolarHBondContact O-N 2.84Å
357	S	98.3	Very high	97.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	155	161.6	69.7	0	0	0	0	110.5	H318 L319 E320 L321 S428	H318-S357 PolarHBondContact CD2-OG 3.03Å; H318-S357 PolarHBondContact NE2-OG 2.91Å; L319-S357 PolarHBondContact O-N 3.5Å; L319-S357 PolarHBondContact O-OG 2.61Å; E320-S357 WeakPolarHBondContact CA-OG 3.29Å; E320-S357 WeakPolarHBondContact CB-OG 3.03Å; L321-S357 PolarHBondContact N-O 3.12Å; S357-S428 WeakPolarHBondContact CA-O 3.28Å; S357-S428 WeakPolarHBondContact CB-O 3.48Å
358	L	98.7	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.4	175.9	-60.2	-178.4	0	0	0	110.7	L321 Y325 F334 F346 V356 L420 V426 S428 F429 K430	L321-L358 HydrophobicContact CB-CD2 3.82Å; L321-L358 HydrophobicContact CD2-CD2 3.85Å; L321-L358 HydrophobicContact CG-CD2 4.22Å; Y325-L358 HydrophobicContact CD2-CD1 4.5Å; Y325-L358 HydrophobicContact CE1-CB 4.13Å; Y325-L358 HydrophobicContact CE1-CD2 4.47Å; Y325-L358 HydrophobicContact CE2-CD1 3.77Å; Y325-L358 HydrophobicContact CE2-CD2 4.45Å; F334-L358 HydrophobicContact CE2-CD1 4.19Å; F334-L358 HydrophobicContact CZ-CD1 4.3Å; F334-L358 HydrophobicContact CZ-CD2 4.01Å; F346-L358 HydrophobicContact CZ-CD2 4.22Å; V356-L358 HydrophobicContact CG1-CD2 4.22Å; L358-L420 HydrophobicContact CD1-CD1 4.16Å; L358-L420 HydrophobicContact CD1-CD2 4.2Å; L358-V426 HydrophobicContact CD1-CG1 4.16Å; L358-V426 HydrophobicContact CD1-CG2 3.54Å; L358-V426 HydrophobicContact CG-CG1 3.94Å; L358-V426 HydrophobicContact CG-CG2 3.94Å; L358-S428 PolarHBondContact N-O 3.07Å; L358-F429 HydrophobicContact CB-CD1 4.01Å; L358-F429 HydrophobicContact CB-CE1 4.33Å; L358-F429 CarbonylContact O-C 3.52Å; L358-F429 WeakPolarHBondContact O-CA 3.37Å; L358-K430 PolarHBondContact O-N 3.42Å
359	W	98.3	Very high	97.7	Very high	7 Å²	7	39 Å²	39	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.2	166.4	178.3	94.4	0	0	0	111.2	L321 D322 D323 Y325 Y329 H361 W394 W395 D432	L321-W359 PolarHBondContact O-N 2.88Å; D322-W359 HydrophobicContact CB-CB 3.82Å; D322-W359 HydrophobicContact CB-CG 4.38Å; D322-W359 VanDerWaalsContact CG-CD1 3.48Å; D323-W359 VanDerWaalsContact OD1-CZ3 3.29Å; D323-W359 WeakPolarHBondContact OD1-CZ3 3.29Å; Y325-W359 WeakPolarHBondContact CE1-O 3.38Å; Y325-W359 PolarHBondContact OH-O 2.82Å; Y329-W359 HydrophobicContact CD1-CH2 4.29Å; Y329-W359 HydrophobicContact CD1-CZ3 4.18Å; Y329-W359 HydrophobicContact CE1-CH2 4.34Å; Y329-W359 HydrophobicContact CE1-CZ3 4.3Å; W359-H361 AromaticContact CE3-CD2 3.93Å; W359-H361 HydrophobicContact CH2-CB 3.9Å; W359-H361 AromaticContact CH2-CD2 3.24Å; W359-H361 WeakPolarHBondContact CH2-CD2 3.18Å; W359-H361 AromaticContact CH2-CG 3.59Å; W359-H361 AromaticContact CH2-NE2 3.94Å; W359-H361 HydrophobicContact CZ2-CB 3.96Å; W359-H361 HydrophobicContact CZ3-CB 4.47Å; W359-H361 AromaticContact CZ3-CD2 3.13Å; W359-H361 WeakPolarHBondContact CZ3-CD2 3.13Å; W359-H361 AromaticContact CZ3-CG 3.96Å; W359-H361 AromaticContact CZ3-NE2 3.74Å; W359-W394 AromaticContact CH2-CH2 3.9Å; W359-W394 HydrophobicContact CH2-CH2 3.9Å; W359-W394 AromaticContact CH2-CZ3 3.86Å; W359-W394 HydrophobicContact CH2-CZ3 3.86Å; W359-W394 HydrophobicContact CZ2-CZ3 4.26Å; W359-W395 HydrophobicContact CZ2-CZ2 4.03Å; W359-D432 HydrophobicContact CZ2-CB 4.43Å; W359-D432 PolarHBondContact NE1-OD2 2.91Å
360	I	98.1	Very high	97.7	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.5	-177	-62.9	-66.8	0	0	0	109.4	Y325 F332 F413 L417 L420 F429 K430 D432 Y459	Y325-I360 VanDerWaalsContact OH-CD1 3.32Å; Y325-I360 WeakPolarHBondContact OH-CD1 3.33Å; F332-I360 HydrophobicContact CD1-CD1 4.26Å; F332-I360 HydrophobicContact CE1-CD1 4.11Å; F332-I360 HydrophobicContact CE1-CG2 4.37Å; I360-F413 HydrophobicContact CG2-CE2 3.75Å; I360-F413 HydrophobicContact CG2-CZ 3.43Å; I360-F413 VanDerWaalsContact CG2-CZ 3.43Å; I360-L417 HydrophobicContact CD1-CD2 3.68Å; I360-L417 HydrophobicContact CG1-CD2 3.83Å; I360-L417 HydrophobicContact CG2-CD2 4.16Å; I360-L420 HydrophobicContact CD1-CD1 4.37Å; I360-F429 HydrophobicContact CD1-CD1 4.06Å; I360-F429 HydrophobicContact CD1-CE1 4.4Å; I360-F429 HydrophobicContact CG1-CB 4.02Å; I360-F429 HydrophobicContact CG1-CD1 3.46Å; I360-F429 VanDerWaalsContact CG1-CD1 3.46Å; I360-F429 HydrophobicContact CG1-CE1 4.26Å; I360-F429 HydrophobicContact CG1-CG 4.03Å; I360-K430 PolarHBondContact N-O 3.41Å; I360-D432 PolarHBondContact O-N 2.84Å; I360-Y459 PolarHBondContact O-OH 2.71Å
361	H	97.7	Very high	97.7	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.046	19%	0.191	C	C	.	.			trans	-141	162.3	-178	66.4	102	0	0	0	110.8	W359 F363 W394	W359-H361 AromaticContact CE3-CD2 3.93Å; W359-H361 HydrophobicContact CH2-CB 3.9Å; W359-H361 AromaticContact CH2-CD2 3.24Å; W359-H361 WeakPolarHBondContact CH2-CD2 3.18Å; W359-H361 AromaticContact CH2-CG 3.59Å; W359-H361 AromaticContact CH2-NE2 3.94Å; W359-H361 HydrophobicContact CZ2-CB 3.96Å; W359-H361 HydrophobicContact CZ3-CB 4.47Å; W359-H361 AromaticContact CZ3-CD2 3.13Å; W359-H361 WeakPolarHBondContact CZ3-CD2 3.13Å; W359-H361 AromaticContact CZ3-CG 3.96Å; W359-H361 AromaticContact CZ3-NE2 3.74Å; H361-F363 VanDerWaalsContact C-N 3.33Å; H361-F363 HydrophobicContact CB-CD2 4.26Å; H361-F363 PolarHBondContact CE1-O 3.01Å; H361-F363 WeakPolarHBondContact ND1-CB 3.17Å; H361-F363 AromaticContact ND1-CD2 3.57Å; H361-F363 AromaticContact ND1-CG 3.99Å; H361-F363 PolarHBondContact ND1-N 2.72Å; H361-F363 PolarHBondContact ND1-O 2.91Å; H361-F363 PolarHBondContact O-N 3.43Å; H361-W394 HydrophobicContact CB-CZ3 4.35Å; H361-W394 AromaticContact CE1-CH2 3.24Å; H361-W394 WeakPolarHBondContact CE1-CH2 3.29Å; H361-W394 AromaticContact CE1-CZ2 3.54Å; H361-W394 AromaticContact CG-CH2 3.8Å; H361-W394 AromaticContact CG-CZ3 3.96Å; H361-W394 AromaticContact ND1-CH2 3.2Å; H361-W394 WeakPolarHBondContact ND1-CH2 3.43Å; H361-W394 AromaticContact ND1-CZ2 3.72Å; H361-W394 AromaticContact ND1-CZ3 3.61Å; H361-W394 AromaticContact NE2-CH2 3.81Å
362	P	97.6	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-85.2	4.6	-174.8	33.4	-36.2	0	0	0	115.2	I401 L402 F404 A433 Y459	P362-I401 HydrophobicContact CB-CG1 4.19Å; P362-I401 HydrophobicContact CG-CG1 4.41Å; P362-L402 PolarHBondContact O-N 3.42Å; P362-F404 HydrophobicContact CB-CE2 3.53Å; P362-F404 HydrophobicContact CB-CZ 3.88Å; P362-A433 HydrophobicContact CG-CB 4.08Å; P362-Y459 HydrophobicContact CB-CD2 4.13Å; P362-Y459 HydrophobicContact CB-CE2 3.89Å; P362-Y459 HydrophobicContact CG-CE2 4.37Å
363	F	98.3	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	149.1	-170.4	-49.2	-74.6	0	0	0	112.5	G330 H361 V392 W394 G400 I401 A433 Y438	G330-F363 WeakPolarHBondContact CA-O 3.31Å; H361-F363 VanDerWaalsContact C-N 3.33Å; H361-F363 HydrophobicContact CB-CD2 4.26Å; H361-F363 PolarHBondContact CE1-O 3.01Å; H361-F363 WeakPolarHBondContact ND1-CB 3.17Å; H361-F363 AromaticContact ND1-CD2 3.57Å; H361-F363 AromaticContact ND1-CG 3.99Å; H361-F363 PolarHBondContact ND1-N 2.72Å; H361-F363 PolarHBondContact ND1-O 2.91Å; H361-F363 PolarHBondContact O-N 3.43Å; F363-V392 HydrophobicContact CD1-CG2 3.97Å; F363-V392 HydrophobicContact CE1-CG2 4.03Å; F363-W394 HydrophobicContact CB-CD2 4.13Å; F363-W394 HydrophobicContact CB-CG 4.44Å; F363-W394 HydrophobicContact CB-CZ2 4.05Å; F363-W394 HydrophobicContact CD1-CB 4.48Å; F363-W394 HydrophobicContact CD1-CG 4.22Å; F363-W394 HydrophobicContact CD2-CB 4.24Å; F363-W394 AromaticContact CD2-CD2 3.32Å; F363-W394 HydrophobicContact CD2-CD2 3.32Å; F363-W394 AromaticContact CD2-CE2 3.85Å; F363-W394 AromaticContact CD2-CE3 3.28Å; F363-W394 HydrophobicContact CD2-CE3 3.28Å; F363-W394 AromaticContact CD2-CG 3.75Å; F363-W394 HydrophobicContact CD2-CG 3.75Å; F363-W394 HydrophobicContact CD2-CH2 4.25Å; F363-W394 HydrophobicContact CD2-CZ2 4.3Å; F363-W394 AromaticContact CD2-CZ3 3.74Å; F363-W394 HydrophobicContact CD2-CZ3 3.74Å; F363-W394 HydrophobicContact CE1-CB 4.22Å; F363-W394 HydrophobicContact CE1-CG 4.42Å; F363-W394 HydrophobicContact CE2-CB 3.97Å; F363-W394 AromaticContact CE2-CD2 3.81Å; F363-W394 HydrophobicContact CE2-CD2 3.81Å; F363-W394 AromaticContact CE2-CE3 3.58Å; F363-W394 HydrophobicContact CE2-CE3 3.58Å; F363-W394 AromaticContact CE2-CG 3.99Å; F363-W394 HydrophobicContact CE2-CG 3.99Å; F363-W394 HydrophobicContact CE2-CZ3 4.31Å; F363-W394 HydrophobicContact CG-CB 4.5Å; F363-W394 AromaticContact CG-CD2 3.76Å; F363-W394 HydrophobicContact CG-CD2 3.76Å; F363-W394 AromaticContact CG-CE2 3.95Å; F363-W394 HydrophobicContact CG-CE3 4.18Å; F363-W394 AromaticContact CG-CG 3.88Å; F363-W394 HydrophobicContact CG-CG 3.88Å; F363-W394 HydrophobicContact CZ-CB 3.97Å; F363-W394 HydrophobicContact CZ-CG 4.33Å; F363-G400 WeakPolarHBondContact CA-O 3.33Å; F363-I401 HydrophobicContact CD1-CB 4Å; F363-I401 HydrophobicContact CD1-CD1 4.28Å; F363-I401 HydrophobicContact CD1-CG1 3.94Å; F363-I401 HydrophobicContact CE1-CB 4.19Å; F363-I401 HydrophobicContact CE1-CD1 3.69Å; F363-I401 HydrophobicContact CE1-CG1 3.88Å; F363-I401 HydrophobicContact CZ-CD1 4.43Å; F363-A433 HydrophobicContact CE2-CB 3.68Å; F363-A433 HydrophobicContact CZ-CB 4.14Å; F363-Y438 HydrophobicContact CE1-CD1 4.26Å; F363-Y438 HydrophobicContact CE1-CG 4.03Å; F363-Y438 AromaticContact CZ-CD1 3.79Å; F363-Y438 HydrophobicContact CZ-CD1 3.79Å; F363-Y438 AromaticContact CZ-CD2 3.82Å; F363-Y438 HydrophobicContact CZ-CD2 3.82Å; F363-Y438 HydrophobicContact CZ-CE1 4.36Å; F363-Y438 HydrophobicContact CZ-CE2 4.35Å; F363-Y438 AromaticContact CZ-CG 3.53Å; F363-Y438 HydrophobicContact CZ-CG 3.53Å
364	V	98.5	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.6	168.9	-177.8	0	0	0	0	108.6	N370 F371 L374 F380 G399 G400	V364-N370 HydrophobicContact CG1-CB 4.11Å; V364-F371 HydrophobicContact CG1-CB 4.01Å; V364-F371 HydrophobicContact CG1-CD2 4.25Å; V364-F371 WeakPolarHBondContact O-CD2 3.3Å; V364-L374 HydrophobicContact CB-CD1 4.36Å; V364-L374 HydrophobicContact CG1-CD1 4.26Å; V364-L374 HydrophobicContact CG2-CD1 3.79Å; V364-F380 HydrophobicContact CB-CE1 3.78Å; V364-F380 HydrophobicContact CB-CZ 3.79Å; V364-F380 HydrophobicContact CG1-CZ 4.2Å; V364-F380 HydrophobicContact CG2-CE1 3.94Å; V364-F380 HydrophobicContact CG2-CZ 4.24Å; V364-G399 CarbonylContact O-C 3.48Å; V364-G399 WeakPolarHBondContact O-CA 3.22Å; V364-G400 PolarHBondContact N-O 3.42Å; V364-G400 PolarHBondContact O-N 2.93Å
365	N	98.1	Very high	97.8	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	149.3	-178.8	-78.7	7.5	0	0	0	110.7	Y329 N367 S368 W394 N396 I398	Y329-N365 PolarHBondContact O-N 3Å; N365-N367 WeakPolarHBondContact CB-OD1 3.23Å; N365-N367 PolarHBondContact O-N 3.35Å; N365-S368 VanDerWaalsContact O-CB 3.25Å; N365-S368 WeakPolarHBondContact O-CB 3.41Å; N365-S368 PolarHBondContact O-N 3.26Å; N365-W394 PolarHBondContact OD1-NE1 3.25Å; N365-N396 PolarHBondContact ND2-O 3.29Å; N365-I398 WeakPolarHBondContact CA-O 3.36Å; N365-I398 PolarHBondContact OD1-O 3.49Å
366	Y	96.4	Very high	97.7	Very high	151 Å²	151	39.3 Å²	39.3	59%	0.592	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.9	-175.8	67.8	-97.6	0	0	0	114.5	I398	Y366-I398 HydrophobicContact CD1-CB 4.24Å; Y366-I398 VanDerWaalsContact CD1-O 3.27Å; Y366-I398 WeakPolarHBondContact CD1-O 3.38Å; Y366-I398 HydrophobicContact CE1-CB 4.34Å; Y366-I398 PolarHBondContact N-O 3.24Å
367	N	96.1	Very high	97.7	Very high	74 Å²	74	44.2 Å²	44.2	40%	0.396	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.7	179.6	67.5	-9.4	0	0	0	114.2	R328 N365	R328-N367 WeakPolarHBondContact CD-O 3.46Å; R328-N367 PolarHBondContact NE-O 2.95Å; R328-N367 PolarHBondContact NH1-O 3.24Å; N365-N367 WeakPolarHBondContact CB-OD1 3.23Å; N365-N367 PolarHBondContact O-N 3.35Å
368	S	97.8	Very high	97.6	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.049	21%	0.214	C	C	.	.	S	Bend	trans	-65.9	144.7	173.3	172.4	0	0	0	0	111.1	G330 D331 N365 N370 F371	G330-S368 PolarHBondContact O-OG 2.71Å; D331-S368 PolarHBondContact N-OG 3.38Å; D331-S368 WeakPolarHBondContact OD1-CA 3.33Å; D331-S368 VanDerWaalsContact OD1-CB 3.28Å; D331-S368 WeakPolarHBondContact OD1-CB 3.42Å; D331-S368 PolarHBondContact OD1-OG 3.35Å; N365-S368 VanDerWaalsContact O-CB 3.25Å; N365-S368 WeakPolarHBondContact O-CB 3.41Å; N365-S368 PolarHBondContact O-N 3.26Å; S368-N370 PolarHBondContact O-N 2.7Å; S368-N370 PolarHBondContact OG-N 3.25Å; S368-F371 WeakPolarHBondContact O-CB 3.45Å; S368-F371 PolarHBondContact O-N 3.38Å; S368-F371 VanDerWaalsContact O-N 3.13Å
369	E	96.4	Very high	97.6	Very high	128 Å²	128	44.7 Å²	44.7	60%	0.598	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.7	175.6	-67.3	172.9	-155.4	0	0	111.7	R328 D331 P373	R328-E369 IonicContact CZ-OE1 3.6Å; R328-E369 IonicContact NH2-OE1 2.74Å; R328-E369 PolarHBondContact NH2-OE1 3.47Å; D331-E369 PolarHBondContact OD1-N 3.2Å; E369-P373 WeakPolarHBondContact O-CD 3.36Å
370	N	98.1	Very high	97.6	Very high	35 Å²	35	44.5 Å²	44.5	19%	0.187	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.4	175.5	-72.4	-41.9	0	0	0	113.7	G330 V364 S368 H372 P373 L374 W412	G330-N370 PolarHBondContact O-ND2 2.88Å; V364-N370 HydrophobicContact CG1-CB 4.11Å; S368-N370 PolarHBondContact O-N 2.7Å; S368-N370 PolarHBondContact OG-N 3.25Å; N370-H372 PolarHBondContact O-N 2.74Å; N370-P373 WeakPolarHBondContact O-CD 3.4Å; N370-L374 HydrophobicContact CB-CD1 4.1Å; N370-L374 WeakPolarHBondContact O-CB 3.23Å; N370-L374 WeakPolarHBondContact O-CD1 3.29Å; N370-L374 WeakPolarHBondContact O-CG 3.47Å; N370-L374 PolarHBondContact O-N 2.64Å; N370-W412 HydrophobicContact CB-CH2 4.24Å; N370-W412 HydrophobicContact CB-CZ2 4.11Å
371	F	98.2	Very high	97.6	Very high	30 Å²	30	44.3 Å²	44.3	13%	0.132	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-52.6	-170.2	-174.6	-101	0	0	0	112.4	V364 S368 L374 V375 F380 P389 L391	V364-F371 HydrophobicContact CG1-CB 4.01Å; V364-F371 HydrophobicContact CG1-CD2 4.25Å; V364-F371 WeakPolarHBondContact O-CD2 3.3Å; S368-F371 WeakPolarHBondContact O-CB 3.45Å; S368-F371 PolarHBondContact O-N 3.38Å; S368-F371 VanDerWaalsContact O-N 3.13Å; F371-L374 PolarHBondContact O-N 3.23Å; F371-V375 HydrophobicContact CD1-CG2 4.16Å; F371-V375 HydrophobicContact CE1-CG2 3.71Å; F371-V375 HydrophobicContact CE2-CG2 4.39Å; F371-V375 HydrophobicContact CZ-CG2 3.83Å; F371-V375 WeakPolarHBondContact O-CG2 3.36Å; F371-V375 PolarHBondContact O-N 3.11Å; F371-F380 AromaticContact CD2-CE2 3.72Å; F371-F380 HydrophobicContact CD2-CE2 3.72Å; F371-F380 AromaticContact CD2-CZ 3.68Å; F371-F380 HydrophobicContact CD2-CZ 3.68Å; F371-F380 HydrophobicContact CE2-CD2 4.35Å; F371-F380 AromaticContact CE2-CE2 3.7Å; F371-F380 HydrophobicContact CE2-CE2 3.7Å; F371-F380 AromaticContact CE2-CZ 3.96Å; F371-F380 HydrophobicContact CE2-CZ 3.96Å; F371-F380 HydrophobicContact CG-CE2 4.46Å; F371-F380 HydrophobicContact CZ-CE2 4.42Å; F371-P389 HydrophobicContact CZ-CG 4.45Å; F371-L391 HydrophobicContact CE2-CD2 4.21Å; F371-L391 HydrophobicContact CZ-CD2 3.81Å
372	H	97.4	Very high	97.5	Very high	122 Å²	122	47.2 Å²	47.2	57%	0.565	22%	0.223	S	C	*	.	H	α-helix	trans	-63.9	-48.8	-176.6	178.4	59.8	0	0	0	113.2	N370 L374 V375 E376	N370-H372 PolarHBondContact O-N 2.74Å; H372-L374 PolarHBondContact O-N 3.19Å; H372-V375 WeakPolarHBondContact O-CB 3.48Å; H372-V375 PolarHBondContact O-N 2.95Å; H372-E376 IonicContact CE1-OE1 2.63Å; H372-E376 IonicContact NE2-OE1 3.66Å; H372-E376 PolarHBondContact O-N 2.84Å
373	P	98	Very high	97.3	Very high	56 Å²	56	49.3 Å²	49.3	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-57	-32.7	174.1	-27.2	35.3	0	0	0	114.6	E369 N370 R377	E369-P373 WeakPolarHBondContact O-CD 3.36Å; N370-P373 WeakPolarHBondContact O-CD 3.4Å; P373-R377 WeakPolarHBondContact O-CB 3.18Å; P373-R377 WeakPolarHBondContact O-CG 3.4Å; P373-R377 PolarHBondContact O-N 2.65Å; P373-R377 VanDerWaalsContact O-N 3.13Å
374	L	98.3	Very high	96.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-75.4	-29.2	176.2	-69.3	172.5	0	0	0	113.1	V364 N370 F371 H372 G378 L379 F380 L402 W412	V364-L374 HydrophobicContact CB-CD1 4.36Å; V364-L374 HydrophobicContact CG1-CD1 4.26Å; V364-L374 HydrophobicContact CG2-CD1 3.79Å; N370-L374 HydrophobicContact CB-CD1 4.1Å; N370-L374 WeakPolarHBondContact O-CB 3.23Å; N370-L374 WeakPolarHBondContact O-CD1 3.29Å; N370-L374 WeakPolarHBondContact O-CG 3.47Å; N370-L374 PolarHBondContact O-N 2.64Å; F371-L374 PolarHBondContact O-N 3.23Å; H372-L374 PolarHBondContact O-N 3.19Å; L374-G378 PolarHBondContact O-N 3.28Å; L374-L379 HydrophobicContact CD2-CB 4.03Å; L374-L379 HydrophobicContact CD2-CD1 3.57Å; L374-L379 HydrophobicContact CD2-CG 4.2Å; L374-L379 PolarHBondContact O-N 2.87Å; L374-F380 HydrophobicContact CB-CD2 4.17Å; L374-F380 HydrophobicContact CB-CE1 4.23Å; L374-F380 HydrophobicContact CB-CE2 3.41Å; L374-F380 VanDerWaalsContact CB-CE2 3.41Å; L374-F380 HydrophobicContact CB-CZ 3.45Å; L374-F380 VanDerWaalsContact CB-CZ 3.45Å; L374-F380 HydrophobicContact CD1-CE1 3.95Å; L374-F380 HydrophobicContact CD1-CE2 4.42Å; L374-F380 HydrophobicContact CD1-CZ 3.59Å; L374-F380 HydrophobicContact CG-CZ 4.18Å; L374-L402 HydrophobicContact CD1-CD2 4.03Å; L374-L402 HydrophobicContact CD2-CD2 4.4Å; L374-W412 HydrophobicContact CD1-CE3 4.41Å; L374-W412 HydrophobicContact CD1-CH2 3.74Å; L374-W412 HydrophobicContact CD1-CZ2 4.09Å; L374-W412 HydrophobicContact CD1-CZ3 3.91Å; L374-W412 HydrophobicContact CD2-CD2 3.68Å; L374-W412 HydrophobicContact CD2-CE3 3.85Å; L374-W412 HydrophobicContact CD2-CG 4.19Å; L374-W412 HydrophobicContact CD2-CH2 4.35Å; L374-W412 HydrophobicContact CD2-CZ2 4.17Å; L374-W412 HydrophobicContact CD2-CZ3 4.19Å; L374-W412 HydrophobicContact CG-CH2 4.49Å; L374-W412 HydrophobicContact CG-CZ2 4.41Å
375	V	97.6	Very high	96.3	Very high	48 Å²	48	57.5 Å²	57.5	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-46.9	169.5	174.4	0	0	0	0	110.7	F371 H372 R377 G378 F380 P389	F371-V375 HydrophobicContact CD1-CG2 4.16Å; F371-V375 HydrophobicContact CE1-CG2 3.71Å; F371-V375 HydrophobicContact CE2-CG2 4.39Å; F371-V375 HydrophobicContact CZ-CG2 3.83Å; F371-V375 WeakPolarHBondContact O-CG2 3.36Å; F371-V375 PolarHBondContact O-N 3.11Å; H372-V375 WeakPolarHBondContact O-CB 3.48Å; H372-V375 PolarHBondContact O-N 2.95Å; V375-R377 VanDerWaalsContact C-N 3.34Å; V375-R377 PolarHBondContact O-N 2.83Å; V375-G378 WeakPolarHBondContact O-CA 3.31Å; V375-G378 PolarHBondContact O-N 3.29Å; V375-F380 HydrophobicContact CG2-CD2 3.96Å; V375-F380 HydrophobicContact CG2-CE2 3.82Å; V375-P389 HydrophobicContact CG1-CG 4.44Å; V375-P389 HydrophobicContact CG2-CB 4.46Å; V375-P389 HydrophobicContact CG2-CG 3.92Å
376	E	96.6	Very high	95.7	Very high	141 Å²	141	58 Å²	58	66%	0.659	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-42.3	179.4	-66.8	-173.2	126.9	0	0	112.3	H372 G378	H372-E376 IonicContact CE1-OE1 2.63Å; H372-E376 IonicContact NE2-OE1 3.66Å; H372-E376 PolarHBondContact O-N 2.84Å; E376-G378 PolarHBondContact O-N 2.87Å
377	R	97.2	Very high	95.3	Very high	105 Å²	105	60.9 Å²	60.9	40%	0.396	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.4	173.5	-66.6	169.9	62.7	-152.2	-0.2	113.1	P373 V375 L379 E408	P373-R377 WeakPolarHBondContact O-CB 3.18Å; P373-R377 WeakPolarHBondContact O-CG 3.4Å; P373-R377 PolarHBondContact O-N 2.65Å; P373-R377 VanDerWaalsContact O-N 3.13Å; V375-R377 VanDerWaalsContact C-N 3.34Å; V375-R377 PolarHBondContact O-N 2.83Å; R377-L379 HydrophobicContact CB-CD1 4.16Å; R377-L379 HydrophobicContact CB-CD2 4.16Å; R377-L379 HydrophobicContact CB-CG 3.77Å; R377-L379 WeakPolarHBondContact O-CD2 3.3Å; R377-L379 PolarHBondContact O-N 3.19Å; R377-E408 IonicContact CZ-OE1 2.68Å; R377-E408 VanDerWaalsContact CZ-OE1 3.24Å; R377-E408 IonicContact NE-OE1 3.18Å; R377-E408 PolarHBondContact NE-OE1 3.31Å; R377-E408 IonicContact NH2-OE1 3.56Å; R377-E408 PolarHBondContact NH2-OE1 2.88Å
378	G	97	Very high	95.1	Very high	12 Å²	12	62.8 Å²	62.8	12%	0.124	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	40.4	176	0	0	0	0	0	114.1	L374 V375 E376 R382	L374-G378 PolarHBondContact O-N 3.28Å; V375-G378 WeakPolarHBondContact O-CA 3.31Å; V375-G378 PolarHBondContact O-N 3.29Å; E376-G378 PolarHBondContact O-N 2.87Å; G378-R382 PolarHBondContact O-NH2 3.46Å
379	L	98.4	Very high	95	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.318	C	S	.	.			trans	-90.4	-5.9	-172.9	-57.5	-169.1	0	0	0	115.1	L374 R377 D403 N406 E408 A409 W412	L374-L379 HydrophobicContact CD2-CB 4.03Å; L374-L379 HydrophobicContact CD2-CD1 3.57Å; L374-L379 HydrophobicContact CD2-CG 4.2Å; L374-L379 PolarHBondContact O-N 2.87Å; R377-L379 HydrophobicContact CB-CD1 4.16Å; R377-L379 HydrophobicContact CB-CD2 4.16Å; R377-L379 HydrophobicContact CB-CG 3.77Å; R377-L379 WeakPolarHBondContact O-CD2 3.3Å; R377-L379 PolarHBondContact O-N 3.19Å; L379-D403 WeakPolarHBondContact O-CB 3.47Å; L379-D403 PolarHBondContact O-N 3.43Å; L379-N406 VanDerWaalsContact CD2-ND2 3.34Å; L379-N406 WeakPolarHBondContact CD2-ND2 3.3Å; L379-E408 HydrophobicContact CD1-CG 4.44Å; L379-E408 HydrophobicContact CD2-CB 3.89Å; L379-E408 HydrophobicContact CD2-CG 3.9Å; L379-A409 HydrophobicContact CB-CB 3.95Å; L379-A409 HydrophobicContact CD2-CB 4.48Å; L379-W412 HydrophobicContact CD1-CB 4.14Å; L379-W412 HydrophobicContact CD1-CG 4.41Å
380	F	98.4	Very high	95	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-82.8	156.2	172.7	-62.8	-59.6	0	0	0	112.1	V364 F371 L374 V375 R382 P389 I401 L402	V364-F380 HydrophobicContact CB-CE1 3.78Å; V364-F380 HydrophobicContact CB-CZ 3.79Å; V364-F380 HydrophobicContact CG1-CZ 4.2Å; V364-F380 HydrophobicContact CG2-CE1 3.94Å; V364-F380 HydrophobicContact CG2-CZ 4.24Å; F371-F380 AromaticContact CD2-CE2 3.72Å; F371-F380 HydrophobicContact CD2-CE2 3.72Å; F371-F380 AromaticContact CD2-CZ 3.68Å; F371-F380 HydrophobicContact CD2-CZ 3.68Å; F371-F380 HydrophobicContact CE2-CD2 4.35Å; F371-F380 AromaticContact CE2-CE2 3.7Å; F371-F380 HydrophobicContact CE2-CE2 3.7Å; F371-F380 AromaticContact CE2-CZ 3.96Å; F371-F380 HydrophobicContact CE2-CZ 3.96Å; F371-F380 HydrophobicContact CG-CE2 4.46Å; F371-F380 HydrophobicContact CZ-CE2 4.42Å; L374-F380 HydrophobicContact CB-CD2 4.17Å; L374-F380 HydrophobicContact CB-CE1 4.23Å; L374-F380 HydrophobicContact CB-CE2 3.41Å; L374-F380 VanDerWaalsContact CB-CE2 3.41Å; L374-F380 HydrophobicContact CB-CZ 3.45Å; L374-F380 VanDerWaalsContact CB-CZ 3.45Å; L374-F380 HydrophobicContact CD1-CE1 3.95Å; L374-F380 HydrophobicContact CD1-CE2 4.42Å; L374-F380 HydrophobicContact CD1-CZ 3.59Å; L374-F380 HydrophobicContact CG-CZ 4.18Å; V375-F380 HydrophobicContact CG2-CD2 3.96Å; V375-F380 HydrophobicContact CG2-CE2 3.82Å; F380-R382 WeakPolarHBondContact O-CG 3.33Å; F380-P389 HydrophobicContact CB-CB 3.96Å; F380-P389 HydrophobicContact CD2-CB 3.97Å; F380-P389 HydrophobicContact CG-CB 4.31Å; F380-I401 CarbonylContact C-O 3.51Å; F380-I401 WeakPolarHBondContact CA-O 3.5Å; F380-L402 HydrophobicContact CD1-CD2 4.2Å; F380-L402 HydrophobicContact CE1-CD2 3.99Å; F380-L402 HydrophobicContact CE1-CG 4.47Å
381	V	97.7	Very high	94.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.			trans	-56.1	143.8	158.3	177.7	0	0	0	0	107.7	A390 I401 D403 L439 F443 T445 F455	V381-A390 HydrophobicContact CG1-CB 4.43Å; V381-A390 WeakPolarHBondContact O-CB 3.49Å; V381-A390 PolarHBondContact O-N 2.81Å; V381-I401 HydrophobicContact CB-CG2 3.68Å; V381-I401 HydrophobicContact CG1-CG2 4.47Å; V381-I401 HydrophobicContact CG2-CG2 3.76Å; V381-I401 PolarHBondContact N-O 2.72Å; V381-D403 HydrophobicContact CG2-CB 3.99Å; V381-L439 HydrophobicContact CG1-CD2 4.25Å; V381-L439 HydrophobicContact CG2-CD2 4.08Å; V381-F443 HydrophobicContact CG1-CB 3.92Å; V381-F443 HydrophobicContact CG1-CD2 3.9Å; V381-F443 HydrophobicContact CG1-CG 4.29Å; V381-T445 HydrophobicContact CG1-CG2 4.41Å; V381-T445 HydrophobicContact CG2-CG2 4.3Å; V381-F455 HydrophobicContact CG2-CE2 4.25Å
382	R	96.3	Very high	94.6	Very high	70 Å²	70	60.2 Å²	60.2	26%	0.264	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-116	160.6	-169.4	-58.7	-170.7	-166.8	-169.9	-0.5	111.8	G378 F380 G386 L388 F443 S444	G378-R382 PolarHBondContact O-NH2 3.46Å; F380-R382 WeakPolarHBondContact O-CG 3.33Å; R382-G386 WeakPolarHBondContact CD-O 3.41Å; R382-G386 PolarHBondContact NH1-O 3.39Å; R382-L388 WeakPolarHBondContact CA-O 3.34Å; R382-L388 WeakPolarHBondContact CB-O 3.28Å; R382-F443 CarbonylContact O-C 3.58Å; R382-F443 WeakPolarHBondContact O-CA 3.37Å; R382-S444 WeakPolarHBondContact CB-OG 3.46Å; R382-S444 PolarHBondContact N-O 2.96Å; R382-S444 PolarHBondContact O-N 3.13Å
383	E	93.4	Very high	94.5	Very high	44 Å²	44	61 Å²	61	21%	0.206	31%	0.308	C	S	.	.			trans	-64.5	167.4	167.5	60.7	63.8	-134.9	0	0	111	T385 G386 R387 L388 S444	E383-T385 VanDerWaalsContact C-N 3.28Å; E383-T385 VanDerWaalsContact CD-OG1 3.24Å; E383-T385 PolarHBondContact O-N 2.79Å; E383-T385 VanDerWaalsContact O-N 3.14Å; E383-T385 PolarHBondContact OE1-N 2.89Å; E383-T385 PolarHBondContact OE1-OG1 3.06Å; E383-T385 WeakPolarHBondContact OE2-CB 3.49Å; E383-T385 WeakPolarHBondContact OE2-CG2 3.26Å; E383-T385 PolarHBondContact OE2-N 3.45Å; E383-T385 PolarHBondContact OE2-OG1 2.95Å; E383-T385 VanDerWaalsContact OE2-OG1 3.12Å; E383-G386 PolarHBondContact O-N 3.21Å; E383-G386 PolarHBondContact OE1-N 3.27Å; E383-R387 PolarHBondContact OE1-N 2.8Å; E383-L388 HydrophobicContact CG-CB 3.92Å; E383-L388 PolarHBondContact N-O 3.26Å; E383-L388 PolarHBondContact OE1-N 3.08Å; E383-S444 PolarHBondContact O-OG 3.42Å
384	P	87.7	Confident	94.3	Very high	78 Å²	78	58.4 Å²	58.4	51%	0.506	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.1	-170.4	-29.4	38.3	0	0	0	116.8	G386 K442	P384-G386 VanDerWaalsContact C-N 3.28Å; P384-K442 HydrophobicContact CB-CB 4.5Å; P384-K442 HydrophobicContact CG-CB 3.53Å; P384-K442 WeakPolarHBondContact CG-O 3.16Å
385	T	86.9	Confident	94.1	Very high	95 Å²	95	61.9 Å²	61.9	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.7	176.6	83.9	0	0	0	0	113.3	E383 R387	E383-T385 VanDerWaalsContact C-N 3.28Å; E383-T385 VanDerWaalsContact CD-OG1 3.24Å; E383-T385 PolarHBondContact O-N 2.79Å; E383-T385 VanDerWaalsContact O-N 3.14Å; E383-T385 PolarHBondContact OE1-N 2.89Å; E383-T385 PolarHBondContact OE1-OG1 3.06Å; E383-T385 WeakPolarHBondContact OE2-CB 3.49Å; E383-T385 WeakPolarHBondContact OE2-CG2 3.26Å; E383-T385 PolarHBondContact OE2-N 3.45Å; E383-T385 PolarHBondContact OE2-OG1 2.95Å; E383-T385 VanDerWaalsContact OE2-OG1 3.12Å; T385-R387 VanDerWaalsContact C-N 3.25Å; T385-R387 PolarHBondContact O-N 3.48Å; T385-R387 WeakPolarHBondContact OG1-CD 3.45Å; T385-R387 WeakPolarHBondContact OG1-CG 3.46Å
386	G	86.8	Confident	93.9	Very high	20 Å²	20	60.2 Å²	60.2	21%	0.206	29%	0.293	C	S	.	.	S	Bend	trans	73.2	10.5	177.3	0	0	0	0	0	115	R382 E383 P384 S444	R382-G386 WeakPolarHBondContact CD-O 3.41Å; R382-G386 PolarHBondContact NH1-O 3.39Å; E383-G386 PolarHBondContact O-N 3.21Å; E383-G386 PolarHBondContact OE1-N 3.27Å; P384-G386 VanDerWaalsContact C-N 3.28Å; G386-S444 WeakPolarHBondContact CA-OG 3.49Å
387	R	86.9	Confident	93.8	Very high	210 Å²	210	54.6 Å²	54.6	79%	0.792	27%	0.274	S	S	*	.	S	Bend	trans	-89.2	-40.3	-174.7	-68.1	179.4	177.2	-172.9	-0.9	112.8	E383 T385	E383-R387 PolarHBondContact OE1-N 2.8Å; T385-R387 VanDerWaalsContact C-N 3.25Å; T385-R387 PolarHBondContact O-N 3.48Å; T385-R387 WeakPolarHBondContact OG1-CD 3.45Å; T385-R387 WeakPolarHBondContact OG1-CG 3.46Å
388	L	92.9	Very high	93.7	Very high	114 Å²	114	53.2 Å²	53.2	60%	0.597	27%	0.274	S	S	*	.	S	Bend	trans	-118.7	154.6	-175.1	-65.3	177.6	0	0	0	111.4	R382 E383	R382-L388 WeakPolarHBondContact CA-O 3.34Å; R382-L388 WeakPolarHBondContact CB-O 3.28Å; E383-L388 HydrophobicContact CG-CB 3.92Å; E383-L388 PolarHBondContact N-O 3.26Å; E383-L388 PolarHBondContact OE1-N 3.08Å
389	P	95	Very high	93.7	Very high	29 Å²	29	52.7 Å²	52.7	19%	0.188	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-58	141.6	167.1	29.1	-37.9	0	0	0	110.2	F371 V375 F380 L391	F371-P389 HydrophobicContact CZ-CG 4.45Å; V375-P389 HydrophobicContact CG1-CG 4.44Å; V375-P389 HydrophobicContact CG2-CB 4.46Å; V375-P389 HydrophobicContact CG2-CG 3.92Å; F380-P389 HydrophobicContact CB-CB 3.96Å; F380-P389 HydrophobicContact CD2-CB 3.97Å; F380-P389 HydrophobicContact CG-CB 4.31Å; P389-L391 PolarHBondContact O-N 3.1Å
390	A	95.2	Very high	93.7	Very high	5 Å²	5	52.7 Å²	52.7	4%	0.041	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-71.9	117.7	164.7	0	0	0	0	0	108.3	V381 P440	V381-A390 HydrophobicContact CG1-CB 4.43Å; V381-A390 WeakPolarHBondContact O-CB 3.49Å; V381-A390 PolarHBondContact O-N 2.81Å; A390-P440 HydrophobicContact CB-CG 3.6Å
391	L	94.9	Very high	93.7	Very high	101 Å²	101	52.6 Å²	52.6	53%	0.529	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.4	168.1	-65.3	-178.5	0	0	0	109.2	F371 P389 I398 G399	F371-L391 HydrophobicContact CE2-CD2 4.21Å; F371-L391 HydrophobicContact CZ-CD2 3.81Å; P389-L391 PolarHBondContact O-N 3.1Å; L391-I398 HydrophobicContact CB-CG2 4.29Å; L391-G399 WeakPolarHBondContact CA-O 3.16Å
392	V	94.9	Very high	93.7	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.5	-178.1	-57.5	0	0	0	0	109.5	F363 I398 G399 I401 Y438 P440	F363-V392 HydrophobicContact CD1-CG2 3.97Å; F363-V392 HydrophobicContact CE1-CG2 4.03Å; V392-I398 WeakPolarHBondContact O-CA 3.45Å; V392-G399 PolarHBondContact N-O 3.3Å; V392-G399 PolarHBondContact O-N 3.18Å; V392-G399 VanDerWaalsContact O-N 3.08Å; V392-I401 HydrophobicContact CG1-CG2 4.45Å; V392-I401 HydrophobicContact CG2-CB 4.25Å; V392-Y438 VanDerWaalsContact CG1-O 3.24Å; V392-Y438 WeakPolarHBondContact CG1-O 3.44Å; V392-P440 HydrophobicContact CG1-CG 3.98Å
393	H	94.5	Very high	93.8	Very high	138 Å²	138	49.4 Å²	49.4	64%	0.639	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.4	168.2	-175.9	-82.5	0	0	0	108.8	G397 I398	H393-G397 WeakPolarHBondContact CA-O 3.38Å; H393-I398 HydrophobicContact CB-CG1 4.49Å
394	W	94.4	Very high	94	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	172.3	173.1	68.6	-66	0	0	0	108.5	Y329 W359 H361 F363 N365 N396 G397 Y438	Y329-W394 AromaticContact CD1-CH2 3.76Å; Y329-W394 HydrophobicContact CD1-CH2 3.76Å; Y329-W394 HydrophobicContact CD1-CZ2 4.15Å; Y329-W394 HydrophobicContact CD2-CZ2 4.33Å; Y329-W394 HydrophobicContact CE1-CH2 4.36Å; Y329-W394 AromaticContact CG-CH2 3.91Å; Y329-W394 HydrophobicContact CG-CH2 3.91Å; Y329-W394 AromaticContact CG-CZ2 3.8Å; Y329-W394 HydrophobicContact CG-CZ2 3.8Å; W359-W394 AromaticContact CH2-CH2 3.9Å; W359-W394 HydrophobicContact CH2-CH2 3.9Å; W359-W394 AromaticContact CH2-CZ3 3.86Å; W359-W394 HydrophobicContact CH2-CZ3 3.86Å; W359-W394 HydrophobicContact CZ2-CZ3 4.26Å; H361-W394 HydrophobicContact CB-CZ3 4.35Å; H361-W394 AromaticContact CE1-CH2 3.24Å; H361-W394 WeakPolarHBondContact CE1-CH2 3.29Å; H361-W394 AromaticContact CE1-CZ2 3.54Å; H361-W394 AromaticContact CG-CH2 3.8Å; H361-W394 AromaticContact CG-CZ3 3.96Å; H361-W394 AromaticContact ND1-CH2 3.2Å; H361-W394 WeakPolarHBondContact ND1-CH2 3.43Å; H361-W394 AromaticContact ND1-CZ2 3.72Å; H361-W394 AromaticContact ND1-CZ3 3.61Å; H361-W394 AromaticContact NE2-CH2 3.81Å; F363-W394 HydrophobicContact CB-CD2 4.13Å; F363-W394 HydrophobicContact CB-CG 4.44Å; F363-W394 HydrophobicContact CB-CZ2 4.05Å; F363-W394 HydrophobicContact CD1-CB 4.48Å; F363-W394 HydrophobicContact CD1-CG 4.22Å; F363-W394 HydrophobicContact CD2-CB 4.24Å; F363-W394 AromaticContact CD2-CD2 3.32Å; F363-W394 HydrophobicContact CD2-CD2 3.32Å; F363-W394 AromaticContact CD2-CE2 3.85Å; F363-W394 AromaticContact CD2-CE3 3.28Å; F363-W394 HydrophobicContact CD2-CE3 3.28Å; F363-W394 AromaticContact CD2-CG 3.75Å; F363-W394 HydrophobicContact CD2-CG 3.75Å; F363-W394 HydrophobicContact CD2-CH2 4.25Å; F363-W394 HydrophobicContact CD2-CZ2 4.3Å; F363-W394 AromaticContact CD2-CZ3 3.74Å; F363-W394 HydrophobicContact CD2-CZ3 3.74Å; F363-W394 HydrophobicContact CE1-CB 4.22Å; F363-W394 HydrophobicContact CE1-CG 4.42Å; F363-W394 HydrophobicContact CE2-CB 3.97Å; F363-W394 AromaticContact CE2-CD2 3.81Å; F363-W394 HydrophobicContact CE2-CD2 3.81Å; F363-W394 AromaticContact CE2-CE3 3.58Å; F363-W394 HydrophobicContact CE2-CE3 3.58Å; F363-W394 AromaticContact CE2-CG 3.99Å; F363-W394 HydrophobicContact CE2-CG 3.99Å; F363-W394 HydrophobicContact CE2-CZ3 4.31Å; F363-W394 HydrophobicContact CG-CB 4.5Å; F363-W394 AromaticContact CG-CD2 3.76Å; F363-W394 HydrophobicContact CG-CD2 3.76Å; F363-W394 AromaticContact CG-CE2 3.95Å; F363-W394 HydrophobicContact CG-CE3 4.18Å; F363-W394 AromaticContact CG-CG 3.88Å; F363-W394 HydrophobicContact CG-CG 3.88Å; F363-W394 HydrophobicContact CZ-CB 3.97Å; F363-W394 HydrophobicContact CZ-CG 4.33Å; N365-W394 PolarHBondContact OD1-NE1 3.25Å; W394-N396 HydrophobicContact CD2-CB 4.06Å; W394-N396 HydrophobicContact CE3-CB 3.87Å; W394-N396 HydrophobicContact CH2-CB 3.33Å; W394-N396 HydrophobicContact CZ2-CB 3.5Å; W394-N396 VanDerWaalsContact CZ2-CB 3.5Å; W394-N396 HydrophobicContact CZ3-CB 3.55Å; W394-N396 PolarHBondContact O-N 3.01Å; W394-G397 PolarHBondContact N-O 3.13Å; W394-G397 PolarHBondContact O-N 2.85Å; W394-G397 VanDerWaalsContact O-O 3.12Å; W394-Y438 HydrophobicContact CB-CD1 4.15Å; W394-Y438 HydrophobicContact CB-CE1 4.02Å
395	W	92.9	Very high	94.3	Very high	75 Å²	75	43.8 Å²	43.8	28%	0.284	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.8	-168.7	64.6	85.6	0	0	0	115.4	W359 D432 A433 Y438	W359-W395 HydrophobicContact CZ2-CZ2 4.03Å; W395-D432 WeakPolarHBondContact CZ2-OD2 3.48Å; W395-A433 HydrophobicContact CH2-CB 3.6Å; W395-A433 HydrophobicContact CZ3-CB 3.89Å; W395-Y438 HydrophobicContact CE3-CE1 4.37Å; W395-Y438 AromaticContact CE3-CZ 3.84Å; W395-Y438 HydrophobicContact CZ3-CE2 4Å; W395-Y438 AromaticContact CZ3-CZ 3.65Å; W395-Y438 WeakPolarHBondContact CZ3-OH 3.34Å
396	N	93.2	Very high	94.8	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.064	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	16.6	-178.4	-87.1	-18.6	0	0	0	113.2	R295 D323 Y329 N365 W394	R295-N396 PolarHBondContact NH2-OD1 3.31Å; D323-N396 PolarHBondContact OD2-ND2 2.94Å; Y329-N396 HydrophobicContact CD1-CB 4.22Å; Y329-N396 HydrophobicContact CD2-CB 3.97Å; Y329-N396 WeakPolarHBondContact CD2-O 3.14Å; Y329-N396 HydrophobicContact CE1-CB 3.88Å; Y329-N396 WeakPolarHBondContact CE1-ND2 3.47Å; Y329-N396 HydrophobicContact CE2-CB 3.61Å; Y329-N396 WeakPolarHBondContact CE2-O 3.38Å; Y329-N396 HydrophobicContact CG-CB 4.25Å; Y329-N396 VanDerWaalsContact CZ-ND2 3.27Å; Y329-N396 PolarHBondContact OH-ND2 3.04Å; Y329-N396 PolarHBondContact OH-OD1 2.74Å; Y329-N396 VanDerWaalsContact OH-OD1 3.05Å; N365-N396 PolarHBondContact ND2-O 3.29Å; W394-N396 HydrophobicContact CD2-CB 4.06Å; W394-N396 HydrophobicContact CE3-CB 3.87Å; W394-N396 HydrophobicContact CH2-CB 3.33Å; W394-N396 HydrophobicContact CZ2-CB 3.5Å; W394-N396 VanDerWaalsContact CZ2-CB 3.5Å; W394-N396 HydrophobicContact CZ3-CB 3.55Å; W394-N396 PolarHBondContact O-N 3.01Å
397	G	94.4	Very high	95.3	Very high	24 Å²	24	42.1 Å²	42.1	25%	0.247	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.9	-151	165.4	0	0	0	0	0	115.3	H393 W394	H393-G397 WeakPolarHBondContact CA-O 3.38Å; W394-G397 PolarHBondContact N-O 3.13Å; W394-G397 PolarHBondContact O-N 2.85Å; W394-G397 VanDerWaalsContact O-O 3.12Å
398	I	96.8	Very high	95.9	Very high	76 Å²	76	36.2 Å²	36.2	39%	0.39	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.8	178.2	-60	173.5	0	0	0	108.9	N365 Y366 L391 V392 H393	N365-I398 WeakPolarHBondContact CA-O 3.36Å; N365-I398 PolarHBondContact OD1-O 3.49Å; Y366-I398 HydrophobicContact CD1-CB 4.24Å; Y366-I398 VanDerWaalsContact CD1-O 3.27Å; Y366-I398 WeakPolarHBondContact CD1-O 3.38Å; Y366-I398 HydrophobicContact CE1-CB 4.34Å; Y366-I398 PolarHBondContact N-O 3.24Å; L391-I398 HydrophobicContact CB-CG2 4.29Å; V392-I398 WeakPolarHBondContact O-CA 3.45Å; H393-I398 HydrophobicContact CB-CG1 4.49Å
399	G	96.8	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	-179.5	-176.1	0	0	0	0	0	113.8	V364 L391 V392	V364-G399 CarbonylContact O-C 3.48Å; V364-G399 WeakPolarHBondContact O-CA 3.22Å; L391-G399 WeakPolarHBondContact CA-O 3.16Å; V392-G399 PolarHBondContact N-O 3.3Å; V392-G399 PolarHBondContact O-N 3.18Å; V392-G399 VanDerWaalsContact O-N 3.08Å
400	G	97.6	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146.4	166.2	0	0	0	0	0	110.3	F363 V364	F363-G400 WeakPolarHBondContact CA-O 3.33Å; V364-G400 PolarHBondContact N-O 3.42Å; V364-G400 PolarHBondContact O-N 2.93Å
401	I	97.7	Very high	96.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.3	172.8	-168.4	177.3	0	0	0	109.7	P362 F363 F380 V381 V392 L439 F455	P362-I401 HydrophobicContact CB-CG1 4.19Å; P362-I401 HydrophobicContact CG-CG1 4.41Å; F363-I401 HydrophobicContact CD1-CB 4Å; F363-I401 HydrophobicContact CD1-CD1 4.28Å; F363-I401 HydrophobicContact CD1-CG1 3.94Å; F363-I401 HydrophobicContact CE1-CB 4.19Å; F363-I401 HydrophobicContact CE1-CD1 3.69Å; F363-I401 HydrophobicContact CE1-CG1 3.88Å; F363-I401 HydrophobicContact CZ-CD1 4.43Å; F380-I401 CarbonylContact C-O 3.51Å; F380-I401 WeakPolarHBondContact CA-O 3.5Å; V381-I401 HydrophobicContact CB-CG2 3.68Å; V381-I401 HydrophobicContact CG1-CG2 4.47Å; V381-I401 HydrophobicContact CG2-CG2 3.76Å; V381-I401 PolarHBondContact N-O 2.72Å; V392-I401 HydrophobicContact CG1-CG2 4.45Å; V392-I401 HydrophobicContact CG2-CB 4.25Å; I401-L439 HydrophobicContact CD1-CD2 4.07Å; I401-L439 HydrophobicContact CG2-CD2 4.14Å; I401-F455 HydrophobicContact CD1-CE1 3.73Å; I401-F455 HydrophobicContact CD1-CE2 4.06Å; I401-F455 HydrophobicContact CD1-CZ 3.29Å; I401-F455 HydrophobicContact CG1-CE2 4.28Å; I401-F455 HydrophobicContact CG1-CZ 3.71Å
402	L	98.4	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-63.2	133.9	-177	-69.8	167.9	0	0	0	111	P362 L374 F380 F404 W412 F413 F455	P362-L402 PolarHBondContact O-N 3.42Å; L374-L402 HydrophobicContact CD1-CD2 4.03Å; L374-L402 HydrophobicContact CD2-CD2 4.4Å; F380-L402 HydrophobicContact CD1-CD2 4.2Å; F380-L402 HydrophobicContact CE1-CD2 3.99Å; F380-L402 HydrophobicContact CE1-CG 4.47Å; L402-F404 HydrophobicContact CB-CE1 4.48Å; L402-F404 HydrophobicContact CB-CE2 3.81Å; L402-F404 HydrophobicContact CB-CZ 3.78Å; L402-F404 HydrophobicContact CD1-CZ 4.16Å; L402-F404 WeakPolarHBondContact O-CD2 3.26Å; L402-F404 WeakPolarHBondContact O-CE2 3.47Å; L402-F404 PolarHBondContact O-N 3.1Å; L402-F404 VanDerWaalsContact O-N 3.12Å; L402-W412 HydrophobicContact CD1-CE3 4.36Å; L402-W412 HydrophobicContact CD1-CZ3 3.92Å; L402-W412 HydrophobicContact CD2-CE3 4.09Å; L402-W412 HydrophobicContact CD2-CZ3 3.98Å; L402-F413 HydrophobicContact CD1-CB 4.3Å; L402-F413 HydrophobicContact CD1-CD2 3.55Å; L402-F413 HydrophobicContact CD1-CE2 4.21Å; L402-F413 HydrophobicContact CD1-CG 4.26Å; L402-F455 WeakPolarHBondContact O-CE2 3.32Å
403	D	97.8	Very high	96.8	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.011	16%	0.16	C	C	.	.			trans	-82.2	89.1	179.6	-179	4	0	0	0	111.2	L379 V381 T405 N406 A409 T445 K446	L379-D403 WeakPolarHBondContact O-CB 3.47Å; L379-D403 PolarHBondContact O-N 3.43Å; V381-D403 HydrophobicContact CG2-CB 3.99Å; D403-T405 VanDerWaalsContact CG-OG1 3.3Å; D403-T405 PolarHBondContact O-N 3.19Å; D403-T405 WeakPolarHBondContact OD1-CA 3.28Å; D403-T405 WeakPolarHBondContact OD1-CB 3.11Å; D403-T405 VanDerWaalsContact OD1-CG2 3.29Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.36Å; D403-T405 PolarHBondContact OD1-N 3.19Å; D403-T405 PolarHBondContact OD1-OG1 3.03Å; D403-T405 PolarHBondContact OD2-OG1 2.86Å; D403-N406 HydrophobicContact CB-CB 4.15Å; D403-N406 WeakPolarHBondContact O-CA 3.08Å; D403-N406 VanDerWaalsContact O-CB 3.23Å; D403-N406 WeakPolarHBondContact O-CB 3.44Å; D403-N406 PolarHBondContact O-N 2.69Å; D403-N406 PolarHBondContact OD1-N 3.1Å; D403-A409 WeakPolarHBondContact O-CB 2.98Å; D403-T445 WeakPolarHBondContact OD2-CA 3.36Å; D403-K446 VanDerWaalsContact OD2-CB 3.28Å; D403-K446 WeakPolarHBondContact OD2-CB 3.43Å; D403-K446 PolarHBondContact OD2-N 2.87Å
404	F	97.2	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-3.4	176.6	-58.3	-85.6	0	0	0	114	P362 L402 N406 R410 F413 F455 R458 Y459 M462	P362-F404 HydrophobicContact CB-CE2 3.53Å; P362-F404 HydrophobicContact CB-CZ 3.88Å; L402-F404 HydrophobicContact CB-CE1 4.48Å; L402-F404 HydrophobicContact CB-CE2 3.81Å; L402-F404 HydrophobicContact CB-CZ 3.78Å; L402-F404 HydrophobicContact CD1-CZ 4.16Å; L402-F404 WeakPolarHBondContact O-CD2 3.26Å; L402-F404 WeakPolarHBondContact O-CE2 3.47Å; L402-F404 PolarHBondContact O-N 3.1Å; L402-F404 VanDerWaalsContact O-N 3.12Å; F404-N406 VanDerWaalsContact C-N 3.35Å; F404-R410 HydrophobicContact CB-CG 4.17Å; F404-R410 HydrophobicContact CD1-CG 4.05Å; F404-R410 WeakPolarHBondContact O-CD 3.5Å; F404-R410 WeakPolarHBondContact O-CG 3.44Å; F404-R410 PolarHBondContact O-NE 3.27Å; F404-F413 HydrophobicContact CE1-CB 4.44Å; F404-F413 AromaticContact CE1-CD1 3.87Å; F404-F413 HydrophobicContact CE1-CD1 3.87Å; F404-F413 HydrophobicContact CE1-CD2 4.47Å; F404-F413 HydrophobicContact CE1-CE1 4.09Å; F404-F413 HydrophobicContact CE1-CG 4.04Å; F404-F413 HydrophobicContact CE1-CZ 4.48Å; F404-F413 HydrophobicContact CZ-CZ 4.49Å; F404-F455 AromaticContact CD2-CE2 3.68Å; F404-F455 HydrophobicContact CD2-CE2 3.68Å; F404-F455 AromaticContact CD2-CZ 3.72Å; F404-F455 HydrophobicContact CD2-CZ 3.72Å; F404-F455 HydrophobicContact CE2-CE2 4.31Å; F404-F455 HydrophobicContact CE2-CZ 4Å; F404-R458 HydrophobicContact CB-CB 3.64Å; F404-Y459 HydrophobicContact CD1-CD2 4.42Å; F404-Y459 HydrophobicContact CD2-CD2 4.15Å; F404-Y459 AromaticContact CE1-CD2 3.94Å; F404-Y459 HydrophobicContact CE1-CD2 3.94Å; F404-Y459 AromaticContact CE2-CD2 3.62Å; F404-Y459 HydrophobicContact CE2-CD2 3.62Å; F404-Y459 HydrophobicContact CE2-CE2 4.33Å; F404-Y459 HydrophobicContact CE2-CG 4.43Å; F404-Y459 AromaticContact CZ-CD2 3.52Å; F404-Y459 HydrophobicContact CZ-CD2 3.52Å; F404-Y459 AromaticContact CZ-CE2 3.96Å; F404-Y459 HydrophobicContact CZ-CE2 3.96Å; F404-M462 HydrophobicContact CD1-CG 3.62Å; F404-M462 HydrophobicContact CD1-SD 3.99Å; F404-M462 HydrophobicContact CE1-CG 3.8Å
405	T	95.3	Very high	97.2	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.031	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.9	165.3	85.6	0	0	0	0	111.7	D403 P407 T445 N447 I449	D403-T405 VanDerWaalsContact CG-OG1 3.3Å; D403-T405 PolarHBondContact O-N 3.19Å; D403-T405 WeakPolarHBondContact OD1-CA 3.28Å; D403-T405 WeakPolarHBondContact OD1-CB 3.11Å; D403-T405 VanDerWaalsContact OD1-CG2 3.29Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.36Å; D403-T405 PolarHBondContact OD1-N 3.19Å; D403-T405 PolarHBondContact OD1-OG1 3.03Å; D403-T405 PolarHBondContact OD2-OG1 2.86Å; T405-P407 WeakPolarHBondContact O-CD 3.46Å; T405-T445 HydrophobicContact CG2-CG2 3.97Å; T405-T445 WeakPolarHBondContact OG1-CB 3.34Å; T405-N447 PolarHBondContact O-ND2 2.85Å; T405-N447 PolarHBondContact OG1-N 2.92Å; T405-N447 PolarHBondContact OG1-O 3.05Å; T405-I449 HydrophobicContact CG2-CD1 4.38Å; T405-I449 HydrophobicContact CG2-CG2 3.62Å
406	N	97.4	Very high	97.4	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.043	14%	0.14	C	C	.	.	S	Bend	trans	-79	118.9	176.9	-173.9	-6	0	0	0	110.4	L379 D403 F404 E408 A409 R410 K446	L379-N406 VanDerWaalsContact CD2-ND2 3.34Å; L379-N406 WeakPolarHBondContact CD2-ND2 3.3Å; D403-N406 HydrophobicContact CB-CB 4.15Å; D403-N406 WeakPolarHBondContact O-CA 3.08Å; D403-N406 VanDerWaalsContact O-CB 3.23Å; D403-N406 WeakPolarHBondContact O-CB 3.44Å; D403-N406 PolarHBondContact O-N 2.69Å; D403-N406 PolarHBondContact OD1-N 3.1Å; F404-N406 VanDerWaalsContact C-N 3.35Å; N406-E408 PolarHBondContact O-N 3.22Å; N406-E408 WeakPolarHBondContact OD1-CB 3.4Å; N406-E408 PolarHBondContact OD1-N 3.02Å; N406-A409 HydrophobicContact CB-CB 3.95Å; N406-A409 PolarHBondContact O-N 3.06Å; N406-R410 PolarHBondContact O-N 3.33Å; N406-K446 HydrophobicContact CB-CB 3.69Å; N406-K446 HydrophobicContact CB-CG 3.99Å
407	P	97.4	Very high	97.7	Very high	71 Å²	71	25.9 Å²	25.9	46%	0.461	14%	0.138	S	C	.	.	H	α-helix	trans	-57.1	-34.4	175.1	-24.2	35	0	0	0	113.6	T405 R410 E411	T405-P407 WeakPolarHBondContact O-CD 3.46Å; P407-R410 PolarHBondContact O-N 3.36Å; P407-E411 WeakPolarHBondContact O-CB 3.3Å; P407-E411 PolarHBondContact O-N 2.92Å
408	E	98.4	Very high	97.9	Very high	86 Å²	86	30.2 Å²	30.2	40%	0.402	15%	0.146	S	C	.	.	H	α-helix	trans	-71.1	-36.5	-179.2	-167	-171.1	159.8	0	0	112.3	R377 L379 N406 E411 W412	R377-E408 IonicContact CZ-OE1 2.68Å; R377-E408 VanDerWaalsContact CZ-OE1 3.24Å; R377-E408 IonicContact NE-OE1 3.18Å; R377-E408 PolarHBondContact NE-OE1 3.31Å; R377-E408 IonicContact NH2-OE1 3.56Å; R377-E408 PolarHBondContact NH2-OE1 2.88Å; L379-E408 HydrophobicContact CD1-CG 4.44Å; L379-E408 HydrophobicContact CD2-CB 3.89Å; L379-E408 HydrophobicContact CD2-CG 3.9Å; N406-E408 PolarHBondContact O-N 3.22Å; N406-E408 WeakPolarHBondContact OD1-CB 3.4Å; N406-E408 PolarHBondContact OD1-N 3.02Å; E408-E411 PolarHBondContact O-N 3.24Å; E408-W412 WeakPolarHBondContact O-CB 3.26Å; E408-W412 PolarHBondContact O-N 2.83Å
409	A	98.5	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.8	-41.4	175.3	0	0	0	0	0	111.2	L379 D403 N406 W412 F413	L379-A409 HydrophobicContact CB-CB 3.95Å; L379-A409 HydrophobicContact CD2-CB 4.48Å; D403-A409 WeakPolarHBondContact O-CB 2.98Å; N406-A409 HydrophobicContact CB-CB 3.95Å; N406-A409 PolarHBondContact O-N 3.06Å; A409-W412 PolarHBondContact O-N 3.14Å; A409-F413 WeakPolarHBondContact O-CB 3.45Å; A409-F413 PolarHBondContact O-N 3.47Å
410	R	98.1	Very high	98	Very high	62 Å²	62	29.5 Å²	29.5	23%	0.234	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-43.2	174	-71.1	-166.5	-69.7	165.8	5.8	112.5	F404 N406 P407 S414 E461 M462	F404-R410 HydrophobicContact CB-CG 4.17Å; F404-R410 HydrophobicContact CD1-CG 4.05Å; F404-R410 WeakPolarHBondContact O-CD 3.5Å; F404-R410 WeakPolarHBondContact O-CG 3.44Å; F404-R410 PolarHBondContact O-NE 3.27Å; N406-R410 PolarHBondContact O-N 3.33Å; P407-R410 PolarHBondContact O-N 3.36Å; R410-S414 VanDerWaalsContact O-CB 3.29Å; R410-S414 WeakPolarHBondContact O-CB 3.45Å; R410-S414 PolarHBondContact O-N 3.39Å; R410-S414 PolarHBondContact O-OG 3.01Å; R410-E461 IonicContact NH1-OE2 3.89Å; R410-M462 HydrophobicContact CB-CE 3.89Å; R410-M462 HydrophobicContact CB-SD 3.93Å; R410-M462 HydrophobicContact CG-CE 4.29Å; R410-M462 HydrophobicContact CG-SD 3.67Å; R410-M462 VanDerWaalsContact O-CE 3.29Å; R410-M462 WeakPolarHBondContact O-CE 3.38Å
411	E	98.4	Very high	98	Very high	97 Å²	97	34.3 Å²	34.3	45%	0.453	17%	0.166	S	C	.	.	H	α-helix	trans	-70.2	-38.8	178	179	49.3	-148.9	0	0	111.7	P407 E408 S414 S415 R418	P407-E411 WeakPolarHBondContact O-CB 3.3Å; P407-E411 PolarHBondContact O-N 2.92Å; E408-E411 PolarHBondContact O-N 3.24Å; E411-S414 PolarHBondContact O-N 2.91Å; E411-S415 WeakPolarHBondContact O-CB 3.17Å; E411-S415 PolarHBondContact O-N 2.84Å; E411-R418 IonicContact OE1-CZ 3.83Å; E411-R418 IonicContact OE1-NH1 2.76Å; E411-R418 PolarHBondContact OE1-NH1 3.47Å; E411-R418 VanDerWaalsContact OE1-NH1 3.14Å; E411-R418 IonicContact OE1-NH2 2.7Å; E411-R418 PolarHBondContact OE1-NH2 2.73Å; E411-R418 IonicContact OE2-NH1 3.68Å; E411-R418 PolarHBondContact OE2-NH1 2.77Å
412	W	98.6	Very high	98	Very high	26 Å²	26	39.6 Å²	39.6	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-49.7	172.5	178.5	78.7	0	0	0	112	F332 N370 L374 L379 L402 E408 A409 S414 S415 Q416	F332-W412 AromaticContact CD2-CH2 3.81Å; F332-W412 HydrophobicContact CD2-CH2 3.81Å; F332-W412 HydrophobicContact CD2-CZ3 4.49Å; F332-W412 AromaticContact CE2-CH2 3.57Å; F332-W412 HydrophobicContact CE2-CH2 3.57Å; F332-W412 AromaticContact CE2-CZ3 3.9Å; F332-W412 HydrophobicContact CE2-CZ3 3.9Å; F332-W412 HydrophobicContact CZ-CZ3 4.45Å; N370-W412 HydrophobicContact CB-CH2 4.24Å; N370-W412 HydrophobicContact CB-CZ2 4.11Å; L374-W412 HydrophobicContact CD1-CE3 4.41Å; L374-W412 HydrophobicContact CD1-CH2 3.74Å; L374-W412 HydrophobicContact CD1-CZ2 4.09Å; L374-W412 HydrophobicContact CD1-CZ3 3.91Å; L374-W412 HydrophobicContact CD2-CD2 3.68Å; L374-W412 HydrophobicContact CD2-CE3 3.85Å; L374-W412 HydrophobicContact CD2-CG 4.19Å; L374-W412 HydrophobicContact CD2-CH2 4.35Å; L374-W412 HydrophobicContact CD2-CZ2 4.17Å; L374-W412 HydrophobicContact CD2-CZ3 4.19Å; L374-W412 HydrophobicContact CG-CH2 4.49Å; L374-W412 HydrophobicContact CG-CZ2 4.41Å; L379-W412 HydrophobicContact CD1-CB 4.14Å; L379-W412 HydrophobicContact CD1-CG 4.41Å; L402-W412 HydrophobicContact CD1-CE3 4.36Å; L402-W412 HydrophobicContact CD1-CZ3 3.92Å; L402-W412 HydrophobicContact CD2-CE3 4.09Å; L402-W412 HydrophobicContact CD2-CZ3 3.98Å; E408-W412 WeakPolarHBondContact O-CB 3.26Å; E408-W412 PolarHBondContact O-N 2.83Å; A409-W412 PolarHBondContact O-N 3.14Å; W412-S414 VanDerWaalsContact C-N 3.33Å; W412-S414 PolarHBondContact O-N 2.87Å; W412-S415 PolarHBondContact O-N 3.08Å; W412-S415 VanDerWaalsContact O-N 3.11Å; W412-S415 PolarHBondContact O-OG 3.32Å; W412-Q416 HydrophobicContact CD2-CG 4.18Å; W412-Q416 HydrophobicContact CE3-CG 4.33Å; W412-Q416 HydrophobicContact CH2-CG 3.83Å; W412-Q416 HydrophobicContact CZ2-CG 3.65Å; W412-Q416 HydrophobicContact CZ3-CG 4.16Å; W412-Q416 WeakPolarHBondContact O-CG 3.33Å; W412-Q416 PolarHBondContact O-N 3.44Å; W412-Q416 VanDerWaalsContact O-N 3.07Å
413	F	98.6	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-43.9	177.6	-178.8	-102.5	0	0	0	111.2	F332 I360 L402 F404 A409 S415 Q416 L417 F431 Y459 M462	F332-F413 HydrophobicContact CE1-CD2 4.06Å; F332-F413 AromaticContact CE1-CE2 3.91Å; F332-F413 HydrophobicContact CE1-CE2 3.91Å; F332-F413 AromaticContact CZ-CD2 3.75Å; F332-F413 HydrophobicContact CZ-CD2 3.75Å; F332-F413 AromaticContact CZ-CE2 3.76Å; F332-F413 HydrophobicContact CZ-CE2 3.76Å; I360-F413 HydrophobicContact CG2-CE2 3.75Å; I360-F413 HydrophobicContact CG2-CZ 3.43Å; I360-F413 VanDerWaalsContact CG2-CZ 3.43Å; L402-F413 HydrophobicContact CD1-CB 4.3Å; L402-F413 HydrophobicContact CD1-CD2 3.55Å; L402-F413 HydrophobicContact CD1-CE2 4.21Å; L402-F413 HydrophobicContact CD1-CG 4.26Å; F404-F413 HydrophobicContact CE1-CB 4.44Å; F404-F413 AromaticContact CE1-CD1 3.87Å; F404-F413 HydrophobicContact CE1-CD1 3.87Å; F404-F413 HydrophobicContact CE1-CD2 4.47Å; F404-F413 HydrophobicContact CE1-CE1 4.09Å; F404-F413 HydrophobicContact CE1-CG 4.04Å; F404-F413 HydrophobicContact CE1-CZ 4.48Å; F404-F413 HydrophobicContact CZ-CZ 4.49Å; A409-F413 WeakPolarHBondContact O-CB 3.45Å; A409-F413 PolarHBondContact O-N 3.47Å; F413-S415 VanDerWaalsContact C-N 3.3Å; F413-S415 PolarHBondContact O-N 2.9Å; F413-Q416 WeakPolarHBondContact O-CB 3.45Å; F413-Q416 PolarHBondContact O-N 3.07Å; F413-L417 HydrophobicContact CD1-CD1 4.18Å; F413-L417 HydrophobicContact CE1-CD1 3.81Å; F413-L417 HydrophobicContact CE1-CG 4.49Å; F413-L417 HydrophobicContact CZ-CD1 4.32Å; F413-L417 WeakPolarHBondContact O-CG 3.47Å; F413-L417 PolarHBondContact O-N 3.35Å; F413-L417 VanDerWaalsContact O-N 3.13Å; F413-F431 HydrophobicContact CE1-CE1 4.04Å; F413-F431 HydrophobicContact CZ-CE1 4.32Å; F413-Y459 HydrophobicContact CZ-CE2 4.17Å; F413-M462 HydrophobicContact CD1-CB 4.29Å; F413-M462 HydrophobicContact CD1-CE 4.08Å; F413-M462 HydrophobicContact CD1-CG 4.19Å; F413-M462 HydrophobicContact CE1-CB 3.98Å; F413-M462 HydrophobicContact CE1-CG 4.18Å
414	S	98.3	Very high	98	Very high	11 Å²	11	45.4 Å²	45.4	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-39.2	173.8	-59.3	0	0	0	0	112.6	R410 E411 W412 Q416 L417 R418 M462	R410-S414 VanDerWaalsContact O-CB 3.29Å; R410-S414 WeakPolarHBondContact O-CB 3.45Å; R410-S414 PolarHBondContact O-N 3.39Å; R410-S414 PolarHBondContact O-OG 3.01Å; E411-S414 PolarHBondContact O-N 2.91Å; W412-S414 VanDerWaalsContact C-N 3.33Å; W412-S414 PolarHBondContact O-N 2.87Å; S414-Q416 VanDerWaalsContact C-N 3.35Å; S414-L417 PolarHBondContact O-N 2.82Å; S414-R418 WeakPolarHBondContact O-CB 3.33Å; S414-R418 VanDerWaalsContact O-CG 3.28Å; S414-R418 WeakPolarHBondContact O-CG 3.44Å; S414-R418 PolarHBondContact O-N 3.42Å; S414-M462 WeakPolarHBondContact OG-CE 3.42Å
415	S	98.4	Very high	98	Very high	37 Å²	37	47.6 Å²	47.6	26%	0.259	25%	0.25	S	S	.	.	H	α-helix	trans	-67.7	-35.1	178.9	82.2	0	0	0	0	112.1	E411 W412 F413 R418 S419	E411-S415 WeakPolarHBondContact O-CB 3.17Å; E411-S415 PolarHBondContact O-N 2.84Å; W412-S415 PolarHBondContact O-N 3.08Å; W412-S415 VanDerWaalsContact O-N 3.11Å; W412-S415 PolarHBondContact O-OG 3.32Å; F413-S415 VanDerWaalsContact C-N 3.3Å; F413-S415 PolarHBondContact O-N 2.9Å; S415-R418 PolarHBondContact O-N 3.45Å; S415-S419 WeakPolarHBondContact O-CB 3.29Å; S415-S419 PolarHBondContact O-N 2.82Å
416	Q	98.5	Very high	98.1	Very high	37 Å²	37	47.5 Å²	47.5	17%	0.173	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-48.5	172.3	-59.1	-45.3	-79.7	0	0	111.3	F332 W412 F413 S414 R418 S419 L420	F332-Q416 HydrophobicContact CB-CB 3.73Å; F332-Q416 HydrophobicContact CB-CG 4.06Å; F332-Q416 HydrophobicContact CD1-CB 3.56Å; F332-Q416 HydrophobicContact CD1-CG 4.24Å; F332-Q416 HydrophobicContact CD2-CB 4.13Å; F332-Q416 HydrophobicContact CD2-CG 3.89Å; F332-Q416 HydrophobicContact CE1-CB 4.19Å; F332-Q416 HydrophobicContact CE2-CG 4.43Å; F332-Q416 HydrophobicContact CG-CB 3.53Å; F332-Q416 HydrophobicContact CG-CG 3.8Å; W412-Q416 HydrophobicContact CD2-CG 4.18Å; W412-Q416 HydrophobicContact CE3-CG 4.33Å; W412-Q416 HydrophobicContact CH2-CG 3.83Å; W412-Q416 HydrophobicContact CZ2-CG 3.65Å; W412-Q416 HydrophobicContact CZ3-CG 4.16Å; W412-Q416 WeakPolarHBondContact O-CG 3.33Å; W412-Q416 PolarHBondContact O-N 3.44Å; W412-Q416 VanDerWaalsContact O-N 3.07Å; F413-Q416 WeakPolarHBondContact O-CB 3.45Å; F413-Q416 PolarHBondContact O-N 3.07Å; S414-Q416 VanDerWaalsContact C-N 3.35Å; Q416-R418 PolarHBondContact O-N 2.9Å; Q416-S419 VanDerWaalsContact O-CB 3.31Å; Q416-S419 WeakPolarHBondContact O-CB 3.47Å; Q416-S419 PolarHBondContact O-N 3.25Å; Q416-S419 VanDerWaalsContact O-N 3.13Å; Q416-L420 PolarHBondContact O-N 2.81Å
417	L	98.4	Very high	98.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-43.5	177.2	-60.8	-171.6	0	0	0	111.8	F332 I360 F413 S414 S419 L420 R421 F429 F431 Y466	F332-L417 HydrophobicContact CD1-CD2 4.33Å; F332-L417 HydrophobicContact CE1-CD2 4.19Å; I360-L417 HydrophobicContact CD1-CD2 3.68Å; I360-L417 HydrophobicContact CG1-CD2 3.83Å; I360-L417 HydrophobicContact CG2-CD2 4.16Å; F413-L417 HydrophobicContact CD1-CD1 4.18Å; F413-L417 HydrophobicContact CE1-CD1 3.81Å; F413-L417 HydrophobicContact CE1-CG 4.49Å; F413-L417 HydrophobicContact CZ-CD1 4.32Å; F413-L417 WeakPolarHBondContact O-CG 3.47Å; F413-L417 PolarHBondContact O-N 3.35Å; F413-L417 VanDerWaalsContact O-N 3.13Å; S414-L417 PolarHBondContact O-N 2.82Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 3Å; L417-L420 HydrophobicContact CD2-CD1 4.46Å; L417-L420 PolarHBondContact O-N 3.03Å; L417-R421 WeakPolarHBondContact O-CG 3.21Å; L417-R421 PolarHBondContact O-N 3.11Å; L417-R421 VanDerWaalsContact O-N 3.07Å; L417-F429 HydrophobicContact CB-CE1 4.47Å; L417-F429 HydrophobicContact CB-CE2 3.77Å; L417-F429 HydrophobicContact CB-CZ 3.73Å; L417-F429 HydrophobicContact CD1-CD2 4.17Å; L417-F429 HydrophobicContact CD1-CE2 4.22Å; L417-F429 HydrophobicContact CD2-CD1 3.98Å; L417-F429 HydrophobicContact CD2-CD2 4.43Å; L417-F429 HydrophobicContact CD2-CE1 3.73Å; L417-F429 HydrophobicContact CD2-CE2 4.22Å; L417-F429 HydrophobicContact CD2-CG 4.32Å; L417-F429 HydrophobicContact CD2-CZ 3.86Å; L417-F429 HydrophobicContact CG-CE2 4.27Å; L417-F429 HydrophobicContact CG-CZ 4.26Å; L417-F431 HydrophobicContact CD1-CE1 3.96Å; L417-F431 HydrophobicContact CD1-CZ 3.94Å; L417-Y466 HydrophobicContact CB-CE2 4.32Å; L417-Y466 WeakPolarHBondContact CB-OH 3.46Å; L417-Y466 HydrophobicContact CD1-CD2 4.47Å; L417-Y466 HydrophobicContact CD1-CE2 3.74Å
418	R	98.4	Very high	98.1	Very high	114 Å²	114	45.2 Å²	45.2	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-35.1	174.4	-68.2	-176.5	-42.8	-119.1	1.7	112.3	E411 S414 S415 Q416 R421 S422	E411-R418 IonicContact OE1-CZ 3.83Å; E411-R418 IonicContact OE1-NH1 2.76Å; E411-R418 PolarHBondContact OE1-NH1 3.47Å; E411-R418 VanDerWaalsContact OE1-NH1 3.14Å; E411-R418 IonicContact OE1-NH2 2.7Å; E411-R418 PolarHBondContact OE1-NH2 2.73Å; E411-R418 IonicContact OE2-NH1 3.68Å; E411-R418 PolarHBondContact OE2-NH1 2.77Å; S414-R418 WeakPolarHBondContact O-CB 3.33Å; S414-R418 VanDerWaalsContact O-CG 3.28Å; S414-R418 WeakPolarHBondContact O-CG 3.44Å; S414-R418 PolarHBondContact O-N 3.42Å; S415-R418 PolarHBondContact O-N 3.45Å; Q416-R418 PolarHBondContact O-N 2.9Å; R418-R421 PolarHBondContact O-N 2.84Å; R418-S422 WeakPolarHBondContact O-CB 3.27Å; R418-S422 PolarHBondContact O-N 2.97Å
419	S	98.3	Very high	98.1	Very high	59 Å²	59	41.1 Å²	41.1	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-62.6	-50.2	174.3	-171.5	0	0	0	0	111.6	S415 Q416 L417 R421 S422 K423	S415-S419 WeakPolarHBondContact O-CB 3.29Å; S415-S419 PolarHBondContact O-N 2.82Å; Q416-S419 VanDerWaalsContact O-CB 3.31Å; Q416-S419 WeakPolarHBondContact O-CB 3.47Å; Q416-S419 PolarHBondContact O-N 3.25Å; Q416-S419 VanDerWaalsContact O-N 3.13Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 3Å; S419-R421 VanDerWaalsContact C-N 3.3Å; S419-R421 PolarHBondContact O-N 3.26Å; S419-S422 PolarHBondContact O-N 3.32Å; S419-S422 VanDerWaalsContact O-N 3.08Å; S419-K423 WeakPolarHBondContact O-CB 3.32Å; S419-K423 PolarHBondContact O-N 3.06Å
420	L	98.3	Very high	98.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-55.8	-43.5	175.6	-73.1	168.1	0	0	0	111.9	F332 L358 I360 Q416 L417 Y424 V426 F429	F332-L420 HydrophobicContact CB-CD1 4.44Å; F332-L420 HydrophobicContact CD1-CD1 4.28Å; F332-L420 WeakPolarHBondContact O-CD2 3.38Å; L358-L420 HydrophobicContact CD1-CD1 4.16Å; L358-L420 HydrophobicContact CD1-CD2 4.2Å; I360-L420 HydrophobicContact CD1-CD1 4.37Å; Q416-L420 PolarHBondContact O-N 2.81Å; L417-L420 HydrophobicContact CD2-CD1 4.46Å; L417-L420 PolarHBondContact O-N 3.03Å; L420-Y424 HydrophobicContact CD2-CD2 4.19Å; L420-Y424 HydrophobicContact CD2-CE2 4.36Å; L420-Y424 WeakPolarHBondContact O-CB 3.24Å; L420-Y424 PolarHBondContact O-N 2.88Å; L420-Y424 VanDerWaalsContact O-N 3.11Å; L420-V426 HydrophobicContact CB-CG2 4.23Å; L420-F429 HydrophobicContact CB-CE1 4.45Å; L420-F429 HydrophobicContact CB-CZ 4.49Å; L420-F429 HydrophobicContact CD1-CE1 4.19Å
421	R	97.9	Very high	98.1	Very high	102 Å²	102	38.3 Å²	38.3	39%	0.385	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-44.9	174	-62.8	-168.3	69.9	-171.4	0.4	112.6	L417 R418 S419 G425 V426 F429	L417-R421 WeakPolarHBondContact O-CG 3.21Å; L417-R421 PolarHBondContact O-N 3.11Å; L417-R421 VanDerWaalsContact O-N 3.07Å; R418-R421 PolarHBondContact O-N 2.84Å; S419-R421 VanDerWaalsContact C-N 3.3Å; S419-R421 PolarHBondContact O-N 3.26Å; R421-G425 WeakPolarHBondContact O-CA 3.22Å; R421-G425 PolarHBondContact O-N 3.13Å; R421-V426 HydrophobicContact CG-CB 4.13Å; R421-V426 VanDerWaalsContact CG-O 3.27Å; R421-V426 WeakPolarHBondContact CG-O 3.48Å; R421-V426 PolarHBondContact NE-O 3.09Å; R421-V426 VanDerWaalsContact NE-O 3.15Å; R421-F429 HydrophobicContact CG-CE2 4.11Å; R421-F429 HydrophobicContact CG-CZ 3.91Å
422	S	97.8	Very high	98	Very high	111 Å²	111	34 Å²	34	78%	0.776	19%	0.187	S	C	*	.	H	α-helix	trans	-70.4	-34.5	-177.6	-170.1	0	0	0	0	113.6	R418 S419	R418-S422 WeakPolarHBondContact O-CB 3.27Å; R418-S422 PolarHBondContact O-N 2.97Å; S419-S422 PolarHBondContact O-N 3.32Å; S419-S422 VanDerWaalsContact O-N 3.08Å
423	K	97.9	Very high	97.9	Very high	96 Å²	96	32.8 Å²	32.8	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-86.2	-36.2	-174.7	-171.3	179.1	178	-156.5	0	112.9	E333 S419	E333-K423 IonicContact OE1-NZ 3.74Å; E333-K423 PolarHBondContact OE1-NZ 2.94Å; E333-K423 VanDerWaalsContact OE1-NZ 3.1Å; E333-K423 IonicContact OE2-NZ 3.75Å; E333-K423 PolarHBondContact OE2-NZ 3.48Å; S419-K423 WeakPolarHBondContact O-CB 3.32Å; S419-K423 PolarHBondContact O-N 3.06Å
424	Y	98.1	Very high	97.8	Very high	28 Å²	28	32.9 Å²	32.9	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-117	-17.8	-173.4	-61.3	-65.1	0	0	0	114.1	E333 F334 A342 S343 F346 L420	E333-Y424 VanDerWaalsContact OE1-CE2 3.32Å; E333-Y424 WeakPolarHBondContact OE1-CE2 3.21Å; E333-Y424 PolarHBondContact OE1-OH 3.13Å; F334-Y424 AromaticContact CD2-CD2 3.85Å; F334-Y424 HydrophobicContact CD2-CD2 3.85Å; F334-Y424 HydrophobicContact CD2-CE1 4.37Å; F334-Y424 AromaticContact CD2-CE2 3.55Å; F334-Y424 HydrophobicContact CD2-CE2 3.55Å; F334-Y424 HydrophobicContact CD2-CG 4.37Å; F334-Y424 AromaticContact CD2-CZ 3.82Å; F334-Y424 AromaticContact CE2-CD2 3.86Å; F334-Y424 HydrophobicContact CE2-CD2 3.86Å; F334-Y424 HydrophobicContact CE2-CE2 4.06Å; F334-Y424 HydrophobicContact CE2-CG 4.18Å; A342-Y424 HydrophobicContact CB-CD1 4.01Å; A342-Y424 HydrophobicContact CB-CE1 3.51Å; S343-Y424 WeakPolarHBondContact OG-CD1 3.12Å; S343-Y424 VanDerWaalsContact OG-CE1 3.25Å; S343-Y424 WeakPolarHBondContact OG-CE1 3.49Å; F346-Y424 WeakPolarHBondContact CB-O 3.46Å; F346-Y424 WeakPolarHBondContact CD1-O 3.46Å; F346-Y424 WeakPolarHBondContact CG-O 3.22Å; L420-Y424 HydrophobicContact CD2-CD2 4.19Å; L420-Y424 HydrophobicContact CD2-CE2 4.36Å; L420-Y424 WeakPolarHBondContact O-CB 3.24Å; L420-Y424 PolarHBondContact O-N 2.88Å; L420-Y424 VanDerWaalsContact O-N 3.11Å
425	G	96.7	Very high	97.8	Very high	46 Å²	46	32.3 Å²	32.3	47%	0.474	18%	0.179	S	C	.	.			trans	81.8	23.6	-173	0	0	0	0	0	113.6	R421 S427	R421-G425 WeakPolarHBondContact O-CA 3.22Å; R421-G425 PolarHBondContact O-N 3.13Å; G425-S427 PolarHBondContact O-N 3.21Å
426	V	98.1	Very high	97.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	17%	0.168	C	C	.	.			trans	-51.1	133.3	171.8	178.3	0	0	0	0	110.2	F346 L358 L420 R421 S428 F429	F346-V426 HydrophobicContact CE1-CB 4.47Å; F346-V426 HydrophobicContact CE1-CG2 3.66Å; F346-V426 HydrophobicContact CZ-CG2 3.99Å; L358-V426 HydrophobicContact CD1-CG1 4.16Å; L358-V426 HydrophobicContact CD1-CG2 3.54Å; L358-V426 HydrophobicContact CG-CG1 3.94Å; L358-V426 HydrophobicContact CG-CG2 3.94Å; L420-V426 HydrophobicContact CB-CG2 4.23Å; R421-V426 HydrophobicContact CG-CB 4.13Å; R421-V426 VanDerWaalsContact CG-O 3.27Å; R421-V426 WeakPolarHBondContact CG-O 3.48Å; R421-V426 PolarHBondContact NE-O 3.09Å; R421-V426 VanDerWaalsContact NE-O 3.15Å; V426-S428 VanDerWaalsContact CG1-O 3.24Å; V426-S428 WeakPolarHBondContact CG1-O 3.38Å; V426-F429 HydrophobicContact CG1-CD1 4.22Å; V426-F429 HydrophobicContact CG1-CE1 3.63Å; V426-F429 HydrophobicContact CG1-CZ 3.81Å
427	S	96.8	Very high	97.4	Very high	30 Å²	30	31.8 Å²	31.8	21%	0.21	17%	0.174	C	C	.	.			trans	-93.7	-42	-171	-63.5	0	0	0	0	112.5	V356 G425	V356-S427 WeakPolarHBondContact O-CB 3.25Å; V356-S427 PolarHBondContact O-N 2.84Å; G425-S427 PolarHBondContact O-N 3.21Å
428	S	97.8	Very high	97.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-164.6	173.9	-165.6	0	0	0	0	111	S357 L358 V426 Y466 A470	S357-S428 WeakPolarHBondContact CA-O 3.28Å; S357-S428 WeakPolarHBondContact CB-O 3.48Å; L358-S428 PolarHBondContact N-O 3.07Å; V426-S428 VanDerWaalsContact CG1-O 3.24Å; V426-S428 WeakPolarHBondContact CG1-O 3.38Å; S428-Y466 WeakPolarHBondContact OG-CB 3.46Å; S428-Y466 PolarHBondContact OG-O 2.9Å; S428-A470 WeakPolarHBondContact OG-CA 3.2Å; S428-A470 PolarHBondContact OG-N 2.85Å
429	F	98.4	Very high	97.1	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.6	-175.6	-55.5	-81.2	0	0	0	111.8	L358 I360 L417 L420 R421 V426 F431 Y466 A470	L358-F429 HydrophobicContact CB-CD1 4.01Å; L358-F429 HydrophobicContact CB-CE1 4.33Å; L358-F429 CarbonylContact O-C 3.52Å; L358-F429 WeakPolarHBondContact O-CA 3.37Å; I360-F429 HydrophobicContact CD1-CD1 4.06Å; I360-F429 HydrophobicContact CD1-CE1 4.4Å; I360-F429 HydrophobicContact CG1-CB 4.02Å; I360-F429 HydrophobicContact CG1-CD1 3.46Å; I360-F429 VanDerWaalsContact CG1-CD1 3.46Å; I360-F429 HydrophobicContact CG1-CE1 4.26Å; I360-F429 HydrophobicContact CG1-CG 4.03Å; L417-F429 HydrophobicContact CB-CE1 4.47Å; L417-F429 HydrophobicContact CB-CE2 3.77Å; L417-F429 HydrophobicContact CB-CZ 3.73Å; L417-F429 HydrophobicContact CD1-CD2 4.17Å; L417-F429 HydrophobicContact CD1-CE2 4.22Å; L417-F429 HydrophobicContact CD2-CD1 3.98Å; L417-F429 HydrophobicContact CD2-CD2 4.43Å; L417-F429 HydrophobicContact CD2-CE1 3.73Å; L417-F429 HydrophobicContact CD2-CE2 4.22Å; L417-F429 HydrophobicContact CD2-CG 4.32Å; L417-F429 HydrophobicContact CD2-CZ 3.86Å; L417-F429 HydrophobicContact CG-CE2 4.27Å; L417-F429 HydrophobicContact CG-CZ 4.26Å; L420-F429 HydrophobicContact CB-CE1 4.45Å; L420-F429 HydrophobicContact CB-CZ 4.49Å; L420-F429 HydrophobicContact CD1-CE1 4.19Å; R421-F429 HydrophobicContact CG-CE2 4.11Å; R421-F429 HydrophobicContact CG-CZ 3.91Å; V426-F429 HydrophobicContact CG1-CD1 4.22Å; V426-F429 HydrophobicContact CG1-CE1 3.63Å; V426-F429 HydrophobicContact CG1-CZ 3.81Å; F429-F431 HydrophobicContact CB-CD2 4.14Å; F429-F431 HydrophobicContact CB-CE2 3.64Å; F429-F431 HydrophobicContact CB-CZ 3.94Å; F429-F431 HydrophobicContact CD2-CZ 4.33Å; F429-F431 HydrophobicContact CG-CZ 4.46Å; F429-Y466 AromaticContact CD2-CD1 3.99Å; F429-Y466 HydrophobicContact CD2-CD1 3.99Å; F429-Y466 AromaticContact CD2-CD2 3.94Å; F429-Y466 HydrophobicContact CD2-CD2 3.94Å; F429-Y466 HydrophobicContact CD2-CE1 4.33Å; F429-Y466 HydrophobicContact CD2-CE2 4.26Å; F429-Y466 AromaticContact CD2-CG 3.78Å; F429-Y466 HydrophobicContact CD2-CG 3.78Å; F429-Y466 AromaticContact CE2-CD1 3.77Å; F429-Y466 HydrophobicContact CE2-CD1 3.77Å; F429-Y466 HydrophobicContact CE2-CD2 4.28Å; F429-Y466 AromaticContact CE2-CE1 3.75Å; F429-Y466 HydrophobicContact CE2-CE1 3.75Å; F429-Y466 HydrophobicContact CE2-CE2 4.24Å; F429-Y466 HydrophobicContact CE2-CG 4.05Å; F429-Y466 AromaticContact CE2-CZ 3.98Å; F429-A470 WeakPolarHBondContact O-CA 3.26Å; F429-A470 WeakPolarHBondContact O-CB 3.27Å
430	K	98.1	Very high	96.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.9	164.6	160.2	166.1	-176.6	-171.2	0	108.4	E320 D322 L358 I360 D432 E471	E320-K430 HydrophobicContact CG-CB 4.43Å; E320-K430 HydrophobicContact CG-CD 4.15Å; E320-K430 WeakPolarHBondContact OE1-CD 3.38Å; E320-K430 IonicContact OE1-NZ 3.1Å; E320-K430 PolarHBondContact OE1-NZ 3.18Å; E320-K430 WeakPolarHBondContact OE2-CD 3.45Å; D322-K430 WeakPolarHBondContact OD2-CE 3.33Å; D322-K430 IonicContact OD2-NZ 2.69Å; D322-K430 PolarHBondContact OD2-NZ 3.22Å; L358-K430 PolarHBondContact O-N 3.42Å; I360-K430 PolarHBondContact N-O 3.41Å; K430-D432 PolarHBondContact O-N 2.87Å; K430-E471 HydrophobicContact CB-CG 3.69Å; K430-E471 HydrophobicContact CD-CG 4.17Å; K430-E471 VanDerWaalsContact CD-OE1 3.25Å; K430-E471 WeakPolarHBondContact CD-OE1 3.5Å; K430-E471 WeakPolarHBondContact CE-OE1 3.45Å; K430-E471 HydrophobicContact CG-CG 3.73Å; K430-E471 VanDerWaalsContact CG-OE1 3.31Å; K430-E471 WeakPolarHBondContact CG-OE1 3.43Å
431	F	98.2	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	92.2	-178.8	-70.3	-91.5	0	0	0	109.5	F413 L417 F429 Y459 M462 A463 Y466 A470 E471 L472 R473	F413-F431 HydrophobicContact CE1-CE1 4.04Å; F413-F431 HydrophobicContact CZ-CE1 4.32Å; L417-F431 HydrophobicContact CD1-CE1 3.96Å; L417-F431 HydrophobicContact CD1-CZ 3.94Å; F429-F431 HydrophobicContact CB-CD2 4.14Å; F429-F431 HydrophobicContact CB-CE2 3.64Å; F429-F431 HydrophobicContact CB-CZ 3.94Å; F429-F431 HydrophobicContact CD2-CZ 4.33Å; F429-F431 HydrophobicContact CG-CZ 4.46Å; F431-Y459 HydrophobicContact CB-CE1 4.25Å; F431-Y459 HydrophobicContact CD1-CE2 4.32Å; F431-M462 HydrophobicContact CE1-CB 4.29Å; F431-A463 HydrophobicContact CD2-CB 3.64Å; F431-A463 HydrophobicContact CE2-CB 3.52Å; F431-A463 HydrophobicContact CG-CB 4.22Å; F431-A463 HydrophobicContact CZ-CB 4.03Å; F431-Y466 HydrophobicContact CE2-CD2 4.29Å; F431-Y466 AromaticContact CZ-CD2 3.86Å; F431-Y466 HydrophobicContact CZ-CD2 3.86Å; F431-Y466 HydrophobicContact CZ-CE2 4.39Å; F431-A470 HydrophobicContact CD2-CB 4.12Å; F431-A470 HydrophobicContact CE2-CB 3.99Å; F431-E471 WeakPolarHBondContact CB-O 3.47Å; F431-E471 PolarHBondContact N-O 3.07Å; F431-L472 HydrophobicContact CB-CD2 3.58Å; F431-L472 HydrophobicContact CB-CG 4.47Å; F431-L472 HydrophobicContact CG-CD2 4.16Å; F431-R473 PolarHBondContact O-N 3.46Å
432	D	97.3	Very high	95.8	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.043	18%	0.184	C	C	.	.			trans	-87.2	164.3	177.9	-157.8	-0.8	0	0	0	110.9	W359 I360 W395 K430 Y459 R473	W359-D432 HydrophobicContact CZ2-CB 4.43Å; W359-D432 PolarHBondContact NE1-OD2 2.91Å; I360-D432 PolarHBondContact O-N 2.84Å; W395-D432 WeakPolarHBondContact CZ2-OD2 3.48Å; K430-D432 PolarHBondContact O-N 2.87Å; D432-Y459 WeakPolarHBondContact O-CE1 3.29Å; D432-Y459 PolarHBondContact O-OH 2.78Å; D432-R473 WeakPolarHBondContact OD1-CD 3.43Å; D432-R473 IonicContact OD1-CZ 3.72Å; D432-R473 IonicContact OD1-NE 2.61Å; D432-R473 IonicContact OD1-NH1 3.98Å; D432-R473 PolarHBondContact OD1-NH1 2.91Å; D432-R473 IonicContact OD2-NH1 2.64Å
433	A	96.5	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.			trans	54.7	-145.3	-168.9	0	0	0	0	0	113.8	P362 F363 W395 E435 Y438 S474	P362-A433 HydrophobicContact CG-CB 4.08Å; F363-A433 HydrophobicContact CE2-CB 3.68Å; F363-A433 HydrophobicContact CZ-CB 4.14Å; W395-A433 HydrophobicContact CH2-CB 3.6Å; W395-A433 HydrophobicContact CZ3-CB 3.89Å; A433-E435 WeakPolarHBondContact CA-OE2 3.32Å; A433-Y438 HydrophobicContact CB-CD2 4.45Å; A433-Y438 HydrophobicContact CB-CE2 4.19Å; A433-S474 PolarHBondContact O-OG 2.89Å
434	G	95.9	Very high	95.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	14%	0.138	C	C	.	.			trans	98.6	-6.2	-177.9	0	0	0	0	0	114.2	T456	G434-T456 VanDerWaalsContact O-CA 3.26Å; G434-T456 WeakPolarHBondContact O-CA 3.35Å; G434-T456 VanDerWaalsContact O-CB 3.3Å; G434-T456 WeakPolarHBondContact O-CB 3.48Å; G434-T456 WeakPolarHBondContact O-CG2 3.3Å; G434-T456 PolarHBondContact O-OG1 3.5Å
435	E	96.9	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.			trans	-66.2	148.8	179.3	-59.8	91.9	159	0	0	112.4	A433 N437 Y438 R473	A433-E435 WeakPolarHBondContact CA-OE2 3.32Å; E435-N437 VanDerWaalsContact C-N 3.31Å; E435-N437 WeakPolarHBondContact CB-OD1 3.44Å; E435-N437 PolarHBondContact O-N 2.83Å; E435-Y438 HydrophobicContact CB-CD2 4.18Å; E435-Y438 HydrophobicContact CB-CE2 4.28Å; E435-Y438 PolarHBondContact O-N 3.48Å; E435-Y438 WeakPolarHBondContact OE2-CE2 3.32Å; E435-R473 WeakPolarHBondContact OE1-CD 3.49Å; E435-R473 IonicContact OE1-NE 3.32Å; E435-R473 PolarHBondContact OE1-NE 2.95Å; E435-R473 VanDerWaalsContact OE1-NE 3.12Å
436	T	95.8	Very high	95.1	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-67.6	-30.5	-175.7	-53.9	0	0	0	0	112.4	V179 T180 Y438 L439 P452 S453 T456	V179-T436 HydrophobicContact CB-CG2 3.84Å; V179-T436 HydrophobicContact CG1-CG2 4.23Å; V179-T436 HydrophobicContact CG2-CG2 4.16Å; T180-T436 WeakPolarHBondContact O-CA 3.31Å; T180-T436 VanDerWaalsContact O-CB 3.3Å; T180-T436 WeakPolarHBondContact O-CB 3.39Å; T180-T436 PolarHBondContact O-N 2.9Å; T180-T436 PolarHBondContact OG1-N 2.94Å; T180-T436 PolarHBondContact OG1-OG1 2.79Å; T436-Y438 PolarHBondContact O-N 2.88Å; T436-Y438 VanDerWaalsContact O-N 3.14Å; T436-L439 HydrophobicContact CG2-CD1 4.34Å; T436-L439 WeakPolarHBondContact O-CB 3.47Å; T436-L439 WeakPolarHBondContact O-CG 3.3Å; T436-L439 PolarHBondContact O-N 2.8Å; T436-P452 HydrophobicContact CG2-CB 3.55Å; T436-P452 HydrophobicContact CG2-CG 3.83Å; T436-S453 WeakPolarHBondContact OG1-CA 3.39Å; T436-S453 PolarHBondContact OG1-OG 3.37Å; T436-T456 PolarHBondContact OG1-OG1 3.27Å
437	N	94.4	Very high	94.9	Very high	56 Å²	56	33.6 Å²	33.6	30%	0.299	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-64.5	-15.2	-178.7	77.1	-39.4	0	0	0	114.4	T180 S181 D182 E435 L439	T180-N437 PolarHBondContact O-N 3.29Å; T180-N437 VanDerWaalsContact O-N 3.11Å; S181-N437 VanDerWaalsContact CA-CG 3.48Å; S181-N437 WeakPolarHBondContact CA-OD1 3.42Å; D182-N437 PolarHBondContact N-ND2 3.23Å; D182-N437 PolarHBondContact N-OD1 2.94Å; E435-N437 VanDerWaalsContact C-N 3.31Å; E435-N437 WeakPolarHBondContact CB-OD1 3.44Å; E435-N437 PolarHBondContact O-N 2.83Å; N437-L439 VanDerWaalsContact C-N 3.29Å
438	Y	95.4	Very high	94.6	Very high	13 Å²	13	36.4 Å²	36.4	5%	0.051	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-75.4	-15.3	170.5	-69.2	-63.2	0	0	0	113.9	D182 F363 V392 W394 W395 A433 E435 T436	D182-Y438 HydrophobicContact CB-CE2 3.85Å; D182-Y438 WeakPolarHBondContact CB-OH 3.11Å; D182-Y438 PolarHBondContact OD2-OH 2.82Å; F363-Y438 HydrophobicContact CE1-CD1 4.26Å; F363-Y438 HydrophobicContact CE1-CG 4.03Å; F363-Y438 AromaticContact CZ-CD1 3.79Å; F363-Y438 HydrophobicContact CZ-CD1 3.79Å; F363-Y438 AromaticContact CZ-CD2 3.82Å; F363-Y438 HydrophobicContact CZ-CD2 3.82Å; F363-Y438 HydrophobicContact CZ-CE1 4.36Å; F363-Y438 HydrophobicContact CZ-CE2 4.35Å; F363-Y438 AromaticContact CZ-CG 3.53Å; F363-Y438 HydrophobicContact CZ-CG 3.53Å; V392-Y438 VanDerWaalsContact CG1-O 3.24Å; V392-Y438 WeakPolarHBondContact CG1-O 3.44Å; W394-Y438 HydrophobicContact CB-CD1 4.15Å; W394-Y438 HydrophobicContact CB-CE1 4.02Å; W395-Y438 HydrophobicContact CE3-CE1 4.37Å; W395-Y438 AromaticContact CE3-CZ 3.84Å; W395-Y438 HydrophobicContact CZ3-CE2 4Å; W395-Y438 AromaticContact CZ3-CZ 3.65Å; W395-Y438 WeakPolarHBondContact CZ3-OH 3.34Å; A433-Y438 HydrophobicContact CB-CD2 4.45Å; A433-Y438 HydrophobicContact CB-CE2 4.19Å; E435-Y438 HydrophobicContact CB-CD2 4.18Å; E435-Y438 HydrophobicContact CB-CE2 4.28Å; E435-Y438 PolarHBondContact O-N 3.48Å; E435-Y438 WeakPolarHBondContact OE2-CE2 3.32Å; T436-Y438 PolarHBondContact O-N 2.88Å; T436-Y438 VanDerWaalsContact O-N 3.14Å
439	L	94.4	Very high	94.4	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.079	18%	0.175	C	C	.	.	S	Bend	trans	-74.1	138.5	170.2	-56.7	179.6	0	0	0	109.5	V381 I401 T436 N437 F443 P452 F455	V381-L439 HydrophobicContact CG1-CD2 4.25Å; V381-L439 HydrophobicContact CG2-CD2 4.08Å; I401-L439 HydrophobicContact CD1-CD2 4.07Å; I401-L439 HydrophobicContact CG2-CD2 4.14Å; T436-L439 HydrophobicContact CG2-CD1 4.34Å; T436-L439 WeakPolarHBondContact O-CB 3.47Å; T436-L439 WeakPolarHBondContact O-CG 3.3Å; T436-L439 PolarHBondContact O-N 2.8Å; N437-L439 VanDerWaalsContact C-N 3.29Å; L439-F443 HydrophobicContact CB-CD1 4.28Å; L439-F443 HydrophobicContact CB-CE1 4.48Å; L439-F443 HydrophobicContact CD1-CE1 4.16Å; L439-F443 HydrophobicContact CD1-CE2 4.12Å; L439-F443 HydrophobicContact CD1-CZ 3.9Å; L439-P452 HydrophobicContact CD1-CB 4.5Å; L439-F455 HydrophobicContact CD1-CB 3.82Å; L439-F455 HydrophobicContact CD1-CD1 4.46Å; L439-F455 HydrophobicContact CD1-CD2 4.39Å; L439-F455 HydrophobicContact CD1-CG 3.97Å; L439-F455 HydrophobicContact CD2-CD1 4.37Å; L439-F455 HydrophobicContact CD2-CD2 3.93Å; L439-F455 HydrophobicContact CD2-CE2 4.06Å; L439-F455 HydrophobicContact CD2-CG 4.1Å; L439-F455 HydrophobicContact CD2-CZ 4.39Å; L439-F455 HydrophobicContact CG-CD1 4.48Å; L439-F455 HydrophobicContact CG-CG 4.34Å
440	P	90.8	Very high	94.2	Very high	39 Å²	39	40.6 Å²	40.6	25%	0.253	19%	0.19	S	C	.	.			trans	-60	146.1	171.9	-10.9	19.9	0	0	0	110.8	A390 V392 K442 F443	A390-P440 HydrophobicContact CB-CG 3.6Å; V392-P440 HydrophobicContact CG1-CG 3.98Å; P440-K442 CarbonylContact O-C 3.49Å; P440-K442 PolarHBondContact O-N 3.44Å; P440-F443 HydrophobicContact CG-CB 4.43Å; P440-F443 VanDerWaalsContact O-CD1 3.3Å; P440-F443 WeakPolarHBondContact O-CD1 3.31Å
441	W	86.8	Confident	94	Very high	118 Å²	118	41.4 Å²	41.4	45%	0.447	19%	0.194	S	C	.	.	S	Bend	trans	-46.4	-37.5	179.9	-172.4	-114.9	0	0	0	114.1	P177 D233 P235	P177-W441 HydrophobicContact CG-CH2 3.69Å; P177-W441 HydrophobicContact CG-CZ3 3.93Å; D233-W441 PolarHBondContact OD1-NE1 2.92Å; D233-W441 VanDerWaalsContact OD1-NE1 3.14Å; P235-W441 HydrophobicContact CG-CZ3 4.43Å
442	K	89.5	Confident	93.9	Very high	144 Å²	144	41.5 Å²	41.5	63%	0.626	20%	0.195	S	C	*	.	S	Bend	trans	-121.3	121.3	168.4	-59.6	-177.8	-178.7	176.3	0	109.1	P384 P440	P384-K442 HydrophobicContact CB-CB 4.5Å; P384-K442 HydrophobicContact CG-CB 3.53Å; P384-K442 WeakPolarHBondContact CG-O 3.16Å; P440-K442 CarbonylContact O-C 3.49Å; P440-K442 PolarHBondContact O-N 3.44Å
443	F	94.1	Very high	93.8	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.031	19%	0.193	C	C	.	.			trans	-142.6	166.8	-177.3	68.4	-83	0	0	0	110.7	K237 V381 R382 L439 P440 T445 I449 P452	K237-F443 PolarHBondContact NZ-O 2.73Å; V381-F443 HydrophobicContact CG1-CB 3.92Å; V381-F443 HydrophobicContact CG1-CD2 3.9Å; V381-F443 HydrophobicContact CG1-CG 4.29Å; R382-F443 CarbonylContact O-C 3.58Å; R382-F443 WeakPolarHBondContact O-CA 3.37Å; L439-F443 HydrophobicContact CB-CD1 4.28Å; L439-F443 HydrophobicContact CB-CE1 4.48Å; L439-F443 HydrophobicContact CD1-CE1 4.16Å; L439-F443 HydrophobicContact CD1-CE2 4.12Å; L439-F443 HydrophobicContact CD1-CZ 3.9Å; P440-F443 HydrophobicContact CG-CB 4.43Å; P440-F443 VanDerWaalsContact O-CD1 3.3Å; P440-F443 WeakPolarHBondContact O-CD1 3.31Å; F443-T445 HydrophobicContact CD2-CG2 3.95Å; F443-T445 HydrophobicContact CE2-CG2 3.83Å; F443-I449 HydrophobicContact CE2-CD1 3.82Å; F443-I449 HydrophobicContact CE2-CG1 4.03Å; F443-I449 HydrophobicContact CZ-CD1 3.94Å; F443-I449 HydrophobicContact CZ-CG1 4.15Å; F443-P452 HydrophobicContact CE1-CB 4.08Å; F443-P452 HydrophobicContact CZ-CB 3.95Å
444	S	93.9	Very high	93.8	Very high	26 Å²	26	43.8 Å²	43.8	18%	0.182	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-131.1	151.7	167	66.9	0	0	0	0	111.6	R382 E383 G386	R382-S444 WeakPolarHBondContact CB-OG 3.46Å; R382-S444 PolarHBondContact N-O 2.96Å; R382-S444 PolarHBondContact O-N 3.13Å; E383-S444 PolarHBondContact O-OG 3.42Å; G386-S444 WeakPolarHBondContact CA-OG 3.49Å
445	T	95.1	Very high	93.8	Very high	22 Å²	22	43.7 Å²	43.7	14%	0.135	20%	0.204	C	C	.	.			trans	-129.4	155.1	-177.3	45.5	0	0	0	0	109.3	V381 D403 T405 F443 N447 I449	V381-T445 HydrophobicContact CG1-CG2 4.41Å; V381-T445 HydrophobicContact CG2-CG2 4.3Å; D403-T445 WeakPolarHBondContact OD2-CA 3.36Å; T405-T445 HydrophobicContact CG2-CG2 3.97Å; T405-T445 WeakPolarHBondContact OG1-CB 3.34Å; F443-T445 HydrophobicContact CD2-CG2 3.95Å; F443-T445 HydrophobicContact CE2-CG2 3.83Å; T445-N447 VanDerWaalsContact C-N 3.28Å; T445-N447 WeakPolarHBondContact CB-O 3.19Å; T445-N447 PolarHBondContact O-N 2.76Å; T445-N447 PolarHBondContact OG1-O 2.94Å; T445-I449 HydrophobicContact CG2-CD1 4.41Å
446	K	94.1	Very high	93.8	Very high	132 Å²	132	43.7 Å²	43.7	57%	0.574	20%	0.204	S	C	*	.	S	Bend	trans	-56.4	-42.4	-179.9	179.2	64.3	175.8	-171.7	0	112	D403 N406	D403-K446 VanDerWaalsContact OD2-CB 3.28Å; D403-K446 WeakPolarHBondContact OD2-CB 3.43Å; D403-K446 PolarHBondContact OD2-N 2.87Å; N406-K446 HydrophobicContact CB-CB 3.69Å; N406-K446 HydrophobicContact CB-CG 3.99Å
447	N	92.5	Very high	93.9	Very high	84 Å²	84	46.5 Å²	46.5	45%	0.449	21%	0.214	S	C	.	.	S	Bend	trans	-108	131.7	169.5	-71.6	-48.4	0	0	0	108.6	T405 T445 I449	T405-N447 PolarHBondContact O-ND2 2.85Å; T405-N447 PolarHBondContact OG1-N 2.92Å; T405-N447 PolarHBondContact OG1-O 3.05Å; T445-N447 VanDerWaalsContact C-N 3.28Å; T445-N447 WeakPolarHBondContact CB-O 3.19Å; T445-N447 PolarHBondContact O-N 2.76Å; T445-N447 PolarHBondContact OG1-O 2.94Å; N447-I449 PolarHBondContact O-N 3.14Å
448	H	91.4	Very high	94	Very high	90 Å²	90	47 Å²	47	42%	0.417	21%	0.211	S	C	.	.			trans	-61.7	129	-178.5	179.5	74.5	0	0	0	111.3	P238 P240	P238-H448 PolarHBondContact O-NE2 3.04Å; P240-H448 HydrophobicContact CG-CB 4.4Å
449	I	93.6	Very high	94.1	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.036	21%	0.209	C	C	.	.			trans	-117.4	134.6	173	66.9	176.5	0	0	0	110.1	T405 F443 T445 N447 F454	T405-I449 HydrophobicContact CG2-CD1 4.38Å; T405-I449 HydrophobicContact CG2-CG2 3.62Å; F443-I449 HydrophobicContact CE2-CD1 3.82Å; F443-I449 HydrophobicContact CE2-CG1 4.03Å; F443-I449 HydrophobicContact CZ-CD1 3.94Å; F443-I449 HydrophobicContact CZ-CG1 4.15Å; T445-I449 HydrophobicContact CG2-CD1 4.41Å; N447-I449 PolarHBondContact O-N 3.14Å; I449-F454 HydrophobicContact CB-CD1 4.46Å; I449-F454 HydrophobicContact CG2-CB 4.49Å; I449-F454 HydrophobicContact CG2-CD1 3.61Å; I449-F454 HydrophobicContact CG2-CE1 4.24Å; I449-F454 HydrophobicContact CG2-CG 4.41Å
450	R	93.2	Very high	94.3	Very high	83 Å²	83	45.6 Å²	45.6	31%	0.313	21%	0.205	S	C	.	.	S	Bend	trans	-86	-42.5	178	-64	171.9	61.4	175.5	-10.2	112.2	S211 F236 K237 N239	S211-R450 PolarHBondContact O-NH2 3.44Å; F236-R450 CarbonylContact C-O 3.4Å; F236-R450 VanDerWaalsContact CA-O 3.31Å; F236-R450 WeakPolarHBondContact CA-O 3.26Å; K237-R450 PolarHBondContact N-O 2.75Å; K237-R450 WeakPolarHBondContact O-CA 3.36Å; K237-R450 VanDerWaalsContact O-CB 3.3Å; K237-R450 WeakPolarHBondContact O-CB 3.3Å; K237-R450 WeakPolarHBondContact O-CG 3.46Å; N239-R450 VanDerWaalsContact OD1-CD 3.28Å; N239-R450 WeakPolarHBondContact OD1-CD 3.44Å
451	D	95.1	Very high	94.6	Very high	18 Å²	18	45.2 Å²	45.2	10%	0.096	20%	0.2	C	C	.	.	S	Bend	trans	-101.6	117.4	177	173.6	4.6	0	0	0	107.2	F236 S453 F454 Y476	F236-D451 HydrophobicContact CD1-CB 4.38Å; F236-D451 HydrophobicContact CE1-CB 4.18Å; D451-S453 PolarHBondContact O-N 3.47Å; D451-S453 VanDerWaalsContact OD1-CB 3.3Å; D451-S453 WeakPolarHBondContact OD1-CB 3.4Å; D451-S453 PolarHBondContact OD1-N 2.83Å; D451-F454 WeakPolarHBondContact O-CB 3.47Å; D451-F454 PolarHBondContact O-N 3.21Å; D451-Y476 WeakPolarHBondContact OD2-CE1 3.45Å; D451-Y476 VanDerWaalsContact OD2-CZ 3.23Å; D451-Y476 PolarHBondContact OD2-OH 2.77Å
452	P	95.2	Very high	95.1	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.013	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.7	-178.9	33.1	-39	0	0	0	111.7	V179 P235 T436 L439 F443 F454 F455	V179-P452 HydrophobicContact CG1-CG 3.85Å; P235-P452 HydrophobicContact CB-CB 4.34Å; P235-P452 HydrophobicContact CB-CG 4.02Å; P235-P452 HydrophobicContact CG-CG 4.04Å; T436-P452 HydrophobicContact CG2-CB 3.55Å; T436-P452 HydrophobicContact CG2-CG 3.83Å; L439-P452 HydrophobicContact CD1-CB 4.5Å; F443-P452 HydrophobicContact CE1-CB 4.08Å; F443-P452 HydrophobicContact CZ-CB 3.95Å; P452-F454 PolarHBondContact O-N 3.41Å; P452-F454 VanDerWaalsContact O-N 3.12Å; P452-F455 WeakPolarHBondContact O-CB 3.36Å; P452-F455 PolarHBondContact O-N 3.16Å
453	S	95.7	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.8	175.3	-53.3	0	0	0	0	113.3	T436 D451 F455 T456 R457 Y476	T436-S453 WeakPolarHBondContact OG1-CA 3.39Å; T436-S453 PolarHBondContact OG1-OG 3.37Å; D451-S453 PolarHBondContact O-N 3.47Å; D451-S453 VanDerWaalsContact OD1-CB 3.3Å; D451-S453 WeakPolarHBondContact OD1-CB 3.4Å; D451-S453 PolarHBondContact OD1-N 2.83Å; S453-F455 PolarHBondContact O-N 2.85Å; S453-T456 WeakPolarHBondContact O-CB 3.13Å; S453-T456 PolarHBondContact O-N 3.21Å; S453-T456 VanDerWaalsContact O-N 3.13Å; S453-R457 PolarHBondContact O-N 3Å; S453-Y476 VanDerWaalsContact CB-CD1 3.4Å; S453-Y476 VanDerWaalsContact O-CD1 3.27Å; S453-Y476 WeakPolarHBondContact O-CD1 3.04Å
454	F	95.6	Very high	95.6	Very high	56 Å²	56	35.2 Å²	35.2	25%	0.246	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-25.4	166	-167	-103.1	0	0	0	112.4	I449 D451 P452 R458	I449-F454 HydrophobicContact CB-CD1 4.46Å; I449-F454 HydrophobicContact CG2-CB 4.49Å; I449-F454 HydrophobicContact CG2-CD1 3.61Å; I449-F454 HydrophobicContact CG2-CE1 4.24Å; I449-F454 HydrophobicContact CG2-CG 4.41Å; D451-F454 WeakPolarHBondContact O-CB 3.47Å; D451-F454 PolarHBondContact O-N 3.21Å; P452-F454 PolarHBondContact O-N 3.41Å; P452-F454 VanDerWaalsContact O-N 3.12Å; F454-R458 HydrophobicContact CD1-CG 3.9Å; F454-R458 HydrophobicContact CE1-CG 3.74Å; F454-R458 VanDerWaalsContact CE1-NE 3.27Å; F454-R458 HydrophobicContact CZ-CG 4.34Å; F454-R458 VanDerWaalsContact CZ-NE 3.32Å; F454-R458 WeakPolarHBondContact O-CG 3.42Å; F454-R458 PolarHBondContact O-N 3.47Å
455	F	96.2	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-53.5	169.5	176.5	-91.6	0	0	0	111.5	V381 I401 L402 F404 L439 P452 S453 R457 R458 Y459	V381-F455 HydrophobicContact CG2-CE2 4.25Å; I401-F455 HydrophobicContact CD1-CE1 3.73Å; I401-F455 HydrophobicContact CD1-CE2 4.06Å; I401-F455 HydrophobicContact CD1-CZ 3.29Å; I401-F455 HydrophobicContact CG1-CE2 4.28Å; I401-F455 HydrophobicContact CG1-CZ 3.71Å; L402-F455 WeakPolarHBondContact O-CE2 3.32Å; F404-F455 AromaticContact CD2-CE2 3.68Å; F404-F455 HydrophobicContact CD2-CE2 3.68Å; F404-F455 AromaticContact CD2-CZ 3.72Å; F404-F455 HydrophobicContact CD2-CZ 3.72Å; F404-F455 HydrophobicContact CE2-CE2 4.31Å; F404-F455 HydrophobicContact CE2-CZ 4Å; L439-F455 HydrophobicContact CD1-CB 3.82Å; L439-F455 HydrophobicContact CD1-CD1 4.46Å; L439-F455 HydrophobicContact CD1-CD2 4.39Å; L439-F455 HydrophobicContact CD1-CG 3.97Å; L439-F455 HydrophobicContact CD2-CD1 4.37Å; L439-F455 HydrophobicContact CD2-CD2 3.93Å; L439-F455 HydrophobicContact CD2-CE2 4.06Å; L439-F455 HydrophobicContact CD2-CG 4.1Å; L439-F455 HydrophobicContact CD2-CZ 4.39Å; L439-F455 HydrophobicContact CG-CD1 4.48Å; L439-F455 HydrophobicContact CG-CG 4.34Å; P452-F455 WeakPolarHBondContact O-CB 3.36Å; P452-F455 PolarHBondContact O-N 3.16Å; S453-F455 PolarHBondContact O-N 2.85Å; F455-R457 VanDerWaalsContact C-N 3.31Å; F455-R457 PolarHBondContact O-N 2.99Å; F455-R458 CarbonylContact O-C 3.58Å; F455-R458 PolarHBondContact O-N 2.92Å; F455-Y459 PolarHBondContact O-N 3.45Å
456	T	97.3	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-48.4	178.1	-56.8	0	0	0	0	110.8	T180 G434 T436 S453 R458 Y459 T460	T180-T456 HydrophobicContact CG2-CG2 4.28Å; T180-T456 PolarHBondContact OG1-OG1 3.43Å; G434-T456 VanDerWaalsContact O-CA 3.26Å; G434-T456 WeakPolarHBondContact O-CA 3.35Å; G434-T456 VanDerWaalsContact O-CB 3.3Å; G434-T456 WeakPolarHBondContact O-CB 3.48Å; G434-T456 WeakPolarHBondContact O-CG2 3.3Å; G434-T456 PolarHBondContact O-OG1 3.5Å; T436-T456 PolarHBondContact OG1-OG1 3.27Å; S453-T456 WeakPolarHBondContact O-CB 3.13Å; S453-T456 PolarHBondContact O-N 3.21Å; S453-T456 VanDerWaalsContact O-N 3.13Å; T456-R458 VanDerWaalsContact C-N 3.35Å; T456-R458 PolarHBondContact O-N 2.78Å; T456-Y459 PolarHBondContact O-N 2.88Å; T456-Y459 VanDerWaalsContact O-N 3.13Å; T456-T460 HydrophobicContact CG2-CG2 4.38Å; T456-T460 WeakPolarHBondContact O-CG2 3.04Å; T456-T460 PolarHBondContact O-N 3.04Å; T456-T460 PolarHBondContact O-OG1 2.97Å
457	R	96.9	Very high	95.8	Very high	65 Å²	65	34.1 Å²	34.1	25%	0.245	15%	0.154	C	C	.	.	H	α-helix	trans	-53.6	-50	174.3	-177.9	-175.2	163.3	150.4	4.9	111.9	S453 F455 Y459 T460 E461 Y476	S453-R457 PolarHBondContact O-N 3Å; F455-R457 VanDerWaalsContact C-N 3.31Å; F455-R457 PolarHBondContact O-N 2.99Å; R457-Y459 VanDerWaalsContact C-N 3.3Å; R457-Y459 PolarHBondContact O-N 2.98Å; R457-T460 PolarHBondContact O-N 3.26Å; R457-T460 PolarHBondContact O-OG1 3.32Å; R457-E461 IonicContact CZ-OE1 3.64Å; R457-E461 IonicContact NE-OE1 3.49Å; R457-E461 PolarHBondContact NE-OE1 3.2Å; R457-E461 IonicContact NH2-OE1 2.67Å; R457-E461 WeakPolarHBondContact O-CG 3.42Å; R457-E461 PolarHBondContact O-N 2.87Å; R457-Y476 WeakPolarHBondContact CB-O 3.21Å
458	R	97.3	Very high	95.9	Very high	65 Å²	65	33.6 Å²	33.6	25%	0.245	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-29.8	179.8	-71.5	-54.7	-164.4	-178.2	2.3	113.9	F404 F454 F455 T456 E461	F404-R458 HydrophobicContact CB-CB 3.64Å; F454-R458 HydrophobicContact CD1-CG 3.9Å; F454-R458 HydrophobicContact CE1-CG 3.74Å; F454-R458 VanDerWaalsContact CE1-NE 3.27Å; F454-R458 HydrophobicContact CZ-CG 4.34Å; F454-R458 VanDerWaalsContact CZ-NE 3.32Å; F454-R458 WeakPolarHBondContact O-CG 3.42Å; F454-R458 PolarHBondContact O-N 3.47Å; F455-R458 CarbonylContact O-C 3.58Å; F455-R458 PolarHBondContact O-N 2.92Å; T456-R458 VanDerWaalsContact C-N 3.35Å; T456-R458 PolarHBondContact O-N 2.78Å; R458-E461 WeakPolarHBondContact CD-OE2 3.26Å; R458-E461 IonicContact CZ-OE2 3.58Å; R458-E461 IonicContact NE-OE2 3.56Å; R458-E461 IonicContact NH1-OE1 3.18Å; R458-E461 IonicContact NH1-OE2 3.12Å; R458-E461 PolarHBondContact NH1-OE2 3.5Å
459	Y	98	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-49.2	171	179.2	-116.9	0	0	0	111.3	I360 P362 F404 F413 F431 D432 F455 T456 R457 E461 M462	I360-Y459 PolarHBondContact O-OH 2.71Å; P362-Y459 HydrophobicContact CB-CD2 4.13Å; P362-Y459 HydrophobicContact CB-CE2 3.89Å; P362-Y459 HydrophobicContact CG-CE2 4.37Å; F404-Y459 HydrophobicContact CD1-CD2 4.42Å; F404-Y459 HydrophobicContact CD2-CD2 4.15Å; F404-Y459 AromaticContact CE1-CD2 3.94Å; F404-Y459 HydrophobicContact CE1-CD2 3.94Å; F404-Y459 AromaticContact CE2-CD2 3.62Å; F404-Y459 HydrophobicContact CE2-CD2 3.62Å; F404-Y459 HydrophobicContact CE2-CE2 4.33Å; F404-Y459 HydrophobicContact CE2-CG 4.43Å; F404-Y459 AromaticContact CZ-CD2 3.52Å; F404-Y459 HydrophobicContact CZ-CD2 3.52Å; F404-Y459 AromaticContact CZ-CE2 3.96Å; F404-Y459 HydrophobicContact CZ-CE2 3.96Å; F413-Y459 HydrophobicContact CZ-CE2 4.17Å; F431-Y459 HydrophobicContact CB-CE1 4.25Å; F431-Y459 HydrophobicContact CD1-CE2 4.32Å; D432-Y459 WeakPolarHBondContact O-CE1 3.29Å; D432-Y459 PolarHBondContact O-OH 2.78Å; F455-Y459 PolarHBondContact O-N 3.45Å; T456-Y459 PolarHBondContact O-N 2.88Å; T456-Y459 VanDerWaalsContact O-N 3.13Å; R457-Y459 VanDerWaalsContact C-N 3.3Å; R457-Y459 PolarHBondContact O-N 2.98Å; Y459-E461 PolarHBondContact O-N 3.42Å; Y459-M462 VanDerWaalsContact O-CB 3.25Å; Y459-M462 WeakPolarHBondContact O-CB 3.34Å; Y459-M462 VanDerWaalsContact O-CG 3.31Å; Y459-M462 WeakPolarHBondContact O-CG 3.34Å; Y459-M462 PolarHBondContact O-N 2.9Å
460	T	97.7	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-35.3	178.8	64.6	0	0	0	0	112.2	T456 R457 M462 A463 L472 S474 S478 I481	T456-T460 HydrophobicContact CG2-CG2 4.38Å; T456-T460 WeakPolarHBondContact O-CG2 3.04Å; T456-T460 PolarHBondContact O-N 3.04Å; T456-T460 PolarHBondContact O-OG1 2.97Å; R457-T460 PolarHBondContact O-N 3.26Å; R457-T460 PolarHBondContact O-OG1 3.32Å; T460-M462 PolarHBondContact O-N 2.88Å; T460-M462 VanDerWaalsContact O-N 3.08Å; T460-A463 WeakPolarHBondContact O-CB 3.34Å; T460-A463 PolarHBondContact O-N 3.07Å; T460-L472 HydrophobicContact CG2-CD1 4.36Å; T460-L472 HydrophobicContact CG2-CD2 4.09Å; T460-S474 WeakPolarHBondContact CG2-O 3.41Å; T460-S478 VanDerWaalsContact OG1-CB 3.3Å; T460-S478 WeakPolarHBondContact OG1-CB 3.29Å; T460-I481 WeakPolarHBondContact O-CD1 3.3Å; T460-I481 WeakPolarHBondContact OG1-CD1 3.41Å
461	E	97.6	Very high	96.4	Very high	31 Å²	31	27.2 Å²	27.2	15%	0.145	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-56.6	-22.5	174.3	-76.7	173.6	-172.1	0	0	113.2	R410 R457 R458 Y459 A463 I464 I481	R410-E461 IonicContact NH1-OE2 3.89Å; R457-E461 IonicContact CZ-OE1 3.64Å; R457-E461 IonicContact NE-OE1 3.49Å; R457-E461 PolarHBondContact NE-OE1 3.2Å; R457-E461 IonicContact NH2-OE1 2.67Å; R457-E461 WeakPolarHBondContact O-CG 3.42Å; R457-E461 PolarHBondContact O-N 2.87Å; R458-E461 WeakPolarHBondContact CD-OE2 3.26Å; R458-E461 IonicContact CZ-OE2 3.58Å; R458-E461 IonicContact NE-OE2 3.56Å; R458-E461 IonicContact NH1-OE1 3.18Å; R458-E461 IonicContact NH1-OE2 3.12Å; R458-E461 PolarHBondContact NH1-OE2 3.5Å; Y459-E461 PolarHBondContact O-N 3.42Å; E461-A463 VanDerWaalsContact C-N 3.27Å; E461-A463 PolarHBondContact O-N 3.38Å; E461-I464 HydrophobicContact CB-CD1 4.14Å; E461-I464 HydrophobicContact CG-CD1 4.21Å; E461-I464 WeakPolarHBondContact O-CB 3.44Å; E461-I464 WeakPolarHBondContact O-CD1 3.32Å; E461-I464 VanDerWaalsContact O-CG1 3.29Å; E461-I464 WeakPolarHBondContact O-CG1 3.42Å; E461-I464 PolarHBondContact O-N 2.86Å; E461-I481 HydrophobicContact CG-CD1 4.29Å
462	M	97.8	Very high	96.6	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.064	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-69.9	-21.7	176.8	-54.6	-47.8	-58.4	0	0	113.5	F404 R410 F413 S414 F431 Y459 T460 I464	F404-M462 HydrophobicContact CD1-CG 3.62Å; F404-M462 HydrophobicContact CD1-SD 3.99Å; F404-M462 HydrophobicContact CE1-CG 3.8Å; R410-M462 HydrophobicContact CB-CE 3.89Å; R410-M462 HydrophobicContact CB-SD 3.93Å; R410-M462 HydrophobicContact CG-CE 4.29Å; R410-M462 HydrophobicContact CG-SD 3.67Å; R410-M462 VanDerWaalsContact O-CE 3.29Å; R410-M462 WeakPolarHBondContact O-CE 3.38Å; F413-M462 HydrophobicContact CD1-CB 4.29Å; F413-M462 HydrophobicContact CD1-CE 4.08Å; F413-M462 HydrophobicContact CD1-CG 4.19Å; F413-M462 HydrophobicContact CE1-CB 3.98Å; F413-M462 HydrophobicContact CE1-CG 4.18Å; S414-M462 WeakPolarHBondContact OG-CE 3.42Å; F431-M462 HydrophobicContact CE1-CB 4.29Å; Y459-M462 VanDerWaalsContact O-CB 3.25Å; Y459-M462 WeakPolarHBondContact O-CB 3.34Å; Y459-M462 VanDerWaalsContact O-CG 3.31Å; Y459-M462 WeakPolarHBondContact O-CG 3.34Å; Y459-M462 PolarHBondContact O-N 2.9Å; T460-M462 PolarHBondContact O-N 2.88Å; T460-M462 VanDerWaalsContact O-N 3.08Å; M462-I464 VanDerWaalsContact C-N 3.33Å
463	A	97.3	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-79	-13.1	178.8	0	0	0	0	0	113.7	F431 T460 E461 H465 Y466 N467 A470 L472 C483	F431-A463 HydrophobicContact CD2-CB 3.64Å; F431-A463 HydrophobicContact CE2-CB 3.52Å; F431-A463 HydrophobicContact CG-CB 4.22Å; F431-A463 HydrophobicContact CZ-CB 4.03Å; T460-A463 WeakPolarHBondContact O-CB 3.34Å; T460-A463 PolarHBondContact O-N 3.07Å; E461-A463 VanDerWaalsContact C-N 3.27Å; E461-A463 PolarHBondContact O-N 3.38Å; A463-H465 PolarHBondContact O-N 3.46Å; A463-H465 VanDerWaalsContact O-N 3.08Å; A463-Y466 PolarHBondContact O-N 3.01Å; A463-N467 PolarHBondContact O-N 3.48Å; A463-N467 VanDerWaalsContact O-N 3.14Å; A463-A470 HydrophobicContact CB-CB 4.29Å; A463-L472 HydrophobicContact CB-CD1 4.18Å; A463-L472 HydrophobicContact CB-CD2 4Å; A463-L472 HydrophobicContact CB-CG 4.18Å; A463-C483 VanDerWaalsContact CB-SG 3.57Å
464	I	96.3	Very high	96.7	Very high	46 Å²	46	26.6 Å²	26.6	24%	0.236	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-53.7	-35.3	-174.3	-70.3	173.2	0	0	0	112.9	Y274 E461 M462 Y466 N467 I481	Y274-I464 HydrophobicContact CE1-CG2 4.31Å; Y274-I464 PolarHBondContact OH-O 2.92Å; E461-I464 HydrophobicContact CB-CD1 4.14Å; E461-I464 HydrophobicContact CG-CD1 4.21Å; E461-I464 WeakPolarHBondContact O-CB 3.44Å; E461-I464 WeakPolarHBondContact O-CD1 3.32Å; E461-I464 VanDerWaalsContact O-CG1 3.29Å; E461-I464 WeakPolarHBondContact O-CG1 3.42Å; E461-I464 PolarHBondContact O-N 2.86Å; M462-I464 VanDerWaalsContact C-N 3.33Å; I464-Y466 VanDerWaalsContact C-N 3.3Å; I464-Y466 PolarHBondContact O-N 3.22Å; I464-N467 PolarHBondContact O-OD1 3.42Å; I464-I481 HydrophobicContact CD1-CD1 4.37Å; I464-I481 HydrophobicContact CD1-CG1 4.34Å; I464-I481 HydrophobicContact CG1-CD1 4.25Å; I464-I481 HydrophobicContact CG1-CG1 4.16Å; I464-I481 HydrophobicContact CG1-CG2 4.11Å
465	H	95.3	Very high	96.8	Very high	141 Å²	141	23.9 Å²	23.9	65%	0.653	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-81.2	-3.1	-179.8	-64.3	-62.3	0	0	0	115	A463	A463-H465 PolarHBondContact O-N 3.46Å; A463-H465 VanDerWaalsContact O-N 3.08Å
466	Y	96.3	Very high	96.9	Very high	12 Å²	12	24.4 Å²	24.4	5%	0.047	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	4.6	-173.8	-46.8	-68.4	0	0	0	112.7	L417 S428 F429 F431 A463 I464 D468 R469 A470	L417-Y466 HydrophobicContact CB-CE2 4.32Å; L417-Y466 WeakPolarHBondContact CB-OH 3.46Å; L417-Y466 HydrophobicContact CD1-CD2 4.47Å; L417-Y466 HydrophobicContact CD1-CE2 3.74Å; S428-Y466 WeakPolarHBondContact OG-CB 3.46Å; S428-Y466 PolarHBondContact OG-O 2.9Å; F429-Y466 AromaticContact CD2-CD1 3.99Å; F429-Y466 HydrophobicContact CD2-CD1 3.99Å; F429-Y466 AromaticContact CD2-CD2 3.94Å; F429-Y466 HydrophobicContact CD2-CD2 3.94Å; F429-Y466 HydrophobicContact CD2-CE1 4.33Å; F429-Y466 HydrophobicContact CD2-CE2 4.26Å; F429-Y466 AromaticContact CD2-CG 3.78Å; F429-Y466 HydrophobicContact CD2-CG 3.78Å; F429-Y466 AromaticContact CE2-CD1 3.77Å; F429-Y466 HydrophobicContact CE2-CD1 3.77Å; F429-Y466 HydrophobicContact CE2-CD2 4.28Å; F429-Y466 AromaticContact CE2-CE1 3.75Å; F429-Y466 HydrophobicContact CE2-CE1 3.75Å; F429-Y466 HydrophobicContact CE2-CE2 4.24Å; F429-Y466 HydrophobicContact CE2-CG 4.05Å; F429-Y466 AromaticContact CE2-CZ 3.98Å; F431-Y466 HydrophobicContact CE2-CD2 4.29Å; F431-Y466 AromaticContact CZ-CD2 3.86Å; F431-Y466 HydrophobicContact CZ-CD2 3.86Å; F431-Y466 HydrophobicContact CZ-CE2 4.39Å; A463-Y466 PolarHBondContact O-N 3.01Å; I464-Y466 VanDerWaalsContact C-N 3.3Å; I464-Y466 PolarHBondContact O-N 3.22Å; Y466-D468 PolarHBondContact O-N 3.13Å; Y466-R469 PolarHBondContact O-N 3.46Å; Y466-A470 PolarHBondContact O-N 3.04Å
467	N	94.8	Very high	96.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.7	-162.7	68.5	-16.6	0	0	0	116.3	Y274 K275 A463 I464 R469 S482 C483	Y274-N467 VanDerWaalsContact CZ-ND2 3.27Å; Y274-N467 PolarHBondContact OH-ND2 3.18Å; K275-N467 VanDerWaalsContact CE-CG 3.45Å; K275-N467 WeakPolarHBondContact CE-ND2 3.48Å; K275-N467 WeakPolarHBondContact CE-OD1 3.34Å; K275-N467 PolarHBondContact NZ-OD1 3.27Å; A463-N467 PolarHBondContact O-N 3.48Å; A463-N467 VanDerWaalsContact O-N 3.14Å; I464-N467 PolarHBondContact O-OD1 3.42Å; N467-R469 PolarHBondContact O-N 2.87Å; N467-R469 VanDerWaalsContact O-N 3.15Å; N467-S482 WeakPolarHBondContact CB-O 3.37Å; N467-C483 WeakPolarHBondContact CB-SG 3.29Å
468	D	94.8	Very high	96.8	Very high	73 Å²	73	22.4 Å²	22.4	39%	0.39	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.3	170.3	-71.1	-45.2	0	0	0	113.1	K275 A278 M281 Y466	K275-D468 IonicContact NZ-OD1 2.78Å; K275-D468 PolarHBondContact NZ-OD1 3.33Å; K275-D468 IonicContact NZ-OD2 3.85Å; K275-D468 PolarHBondContact NZ-OD2 2.94Å; A278-D468 HydrophobicContact CB-CB 3.85Å; A278-D468 WeakPolarHBondContact CB-O 3.38Å; A278-D468 PolarHBondContact N-O 2.9Å; M281-D468 WeakPolarHBondContact CG-O 3.36Å; Y466-D468 PolarHBondContact O-N 3.13Å
469	R	96.5	Very high	96.8	Very high	42 Å²	42	19.6 Å²	19.6	16%	0.158	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	8.4	178.9	-60.3	-161.4	-167.9	-50.5	-1.5	115.4	M281 Y466 N467	M281-R469 HydrophobicContact CG-CG 4.24Å; M281-R469 HydrophobicContact SD-CB 3.91Å; M281-R469 HydrophobicContact SD-CG 3.91Å; Y466-R469 PolarHBondContact O-N 3.46Å; N467-R469 PolarHBondContact O-N 2.87Å; N467-R469 VanDerWaalsContact O-N 3.15Å
470	A	96.9	Very high	96.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.			trans	-78.8	140.4	-179	0	0	0	0	0	110.8	S428 F429 F431 A463 Y466 C483 F484	S428-A470 WeakPolarHBondContact OG-CA 3.2Å; S428-A470 PolarHBondContact OG-N 2.85Å; F429-A470 WeakPolarHBondContact O-CA 3.26Å; F429-A470 WeakPolarHBondContact O-CB 3.27Å; F431-A470 HydrophobicContact CD2-CB 4.12Å; F431-A470 HydrophobicContact CE2-CB 3.99Å; A463-A470 HydrophobicContact CB-CB 4.29Å; Y466-A470 PolarHBondContact O-N 3.04Å; A470-C483 WeakPolarHBondContact O-CB 3.18Å; A470-F484 PolarHBondContact O-N 2.78Å; A470-F484 VanDerWaalsContact O-N 3.11Å
471	E	96.6	Very high	96.7	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.1	164	64.5	157.9	-107.4	0	0	111.1	K430 F431 F484 R486 L519 Q558	K430-E471 HydrophobicContact CB-CG 3.69Å; K430-E471 HydrophobicContact CD-CG 4.17Å; K430-E471 VanDerWaalsContact CD-OE1 3.25Å; K430-E471 WeakPolarHBondContact CD-OE1 3.5Å; K430-E471 WeakPolarHBondContact CE-OE1 3.45Å; K430-E471 HydrophobicContact CG-CG 3.73Å; K430-E471 VanDerWaalsContact CG-OE1 3.31Å; K430-E471 WeakPolarHBondContact CG-OE1 3.43Å; F431-E471 WeakPolarHBondContact CB-O 3.47Å; F431-E471 PolarHBondContact N-O 3.07Å; E471-F484 CarbonylContact C-O 3.58Å; E471-F484 VanDerWaalsContact CA-O 3.29Å; E471-F484 WeakPolarHBondContact CA-O 3.37Å; E471-R486 WeakPolarHBondContact OE1-CD 3.5Å; E471-R486 IonicContact OE1-CZ 2.81Å; E471-R486 IonicContact OE1-NE 3.66Å; E471-R486 PolarHBondContact OE1-NE 2.92Å; E471-R486 IonicContact OE1-NH2 3.06Å; E471-R486 IonicContact OE2-NE 3.21Å; E471-L519 HydrophobicContact CB-CD2 4.19Å; E471-L519 WeakPolarHBondContact OE2-CD2 3.36Å; E471-Q558 PolarHBondContact OE2-NE2 3.29Å
472	L	97.9	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.8	177.8	-77.3	166.9	0	0	0	109.8	F431 T460 A463 I481 C483 F484 F485 R486	F431-L472 HydrophobicContact CB-CD2 3.58Å; F431-L472 HydrophobicContact CB-CG 4.47Å; F431-L472 HydrophobicContact CG-CD2 4.16Å; T460-L472 HydrophobicContact CG2-CD1 4.36Å; T460-L472 HydrophobicContact CG2-CD2 4.09Å; A463-L472 HydrophobicContact CB-CD1 4.18Å; A463-L472 HydrophobicContact CB-CD2 4Å; A463-L472 HydrophobicContact CB-CG 4.18Å; L472-I481 HydrophobicContact CD1-CG2 3.99Å; L472-C483 HydrophobicContact CD1-CB 3.79Å; L472-C483 HydrophobicContact CG-CB 4.24Å; L472-F484 PolarHBondContact N-O 2.66Å; L472-F485 HydrophobicContact CB-CD1 3.96Å; L472-F485 HydrophobicContact CB-CE1 4.01Å; L472-F485 HydrophobicContact CD1-CE1 3.81Å; L472-F485 HydrophobicContact CD1-CE2 4.36Å; L472-F485 HydrophobicContact CD1-CZ 3.72Å; L472-F485 CarbonylContact O-C 3.59Å; L472-F485 VanDerWaalsContact O-CA 3.32Å; L472-F485 WeakPolarHBondContact O-CA 3.25Å; L472-R486 PolarHBondContact O-N 2.91Å
473	R	96.8	Very high	96.6	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.026	9%	0.094	C	C	.	.	S	Bend	trans	-77.3	-29.3	173	177.4	176.2	176.9	143	2	113.9	D182 F431 D432 E435 R486 D489	D182-R473 IonicContact OD1-CZ 3.77Å; D182-R473 IonicContact OD1-NH2 2.91Å; D182-R473 PolarHBondContact OD1-NH2 2.99Å; F431-R473 PolarHBondContact O-N 3.46Å; D432-R473 WeakPolarHBondContact OD1-CD 3.43Å; D432-R473 IonicContact OD1-CZ 3.72Å; D432-R473 IonicContact OD1-NE 2.61Å; D432-R473 IonicContact OD1-NH1 3.98Å; D432-R473 PolarHBondContact OD1-NH1 2.91Å; D432-R473 IonicContact OD2-NH1 2.64Å; E435-R473 WeakPolarHBondContact OE1-CD 3.49Å; E435-R473 IonicContact OE1-NE 3.32Å; E435-R473 PolarHBondContact OE1-NE 2.95Å; E435-R473 VanDerWaalsContact OE1-NE 3.12Å; R473-R486 WeakPolarHBondContact CA-O 3.31Å; R473-D489 IonicContact NH1-OD1 2.81Å; R473-D489 PolarHBondContact NH1-OD1 2.93Å
474	S	97.4	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.			trans	-117.1	148.3	-171	56.9	0	0	0	0	112.8	G192 A433 T460 F485	G192-S474 CarbonylContact O-C 3.21Å; G192-S474 WeakPolarHBondContact O-CA 3.44Å; G192-S474 WeakPolarHBondContact O-CB 3.48Å; A433-S474 PolarHBondContact O-OG 2.89Å; T460-S474 WeakPolarHBondContact CG2-O 3.41Å; S474-F485 WeakPolarHBondContact O-CE1 3.2Å
475	G	97.3	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-153.4	122.1	-172.6	0	0	0	0	0	112.9	G192 I193 L194 S478	G192-G475 PolarHBondContact O-N 2.88Å; I193-G475 WeakPolarHBondContact CA-O 3.07Å; L194-G475 PolarHBondContact N-O 3.15Å; L194-G475 VanDerWaalsContact N-O 3.1Å; G475-S478 WeakPolarHBondContact CA-OG 3.45Å
476	Y	97.6	Very high	96.7	Very high	11 Å²	11	11 Å²	11	4%	0.043	5%	0.053	C	C	.	.	S	Bend	trans	-155.1	116.8	173.4	178.7	-110.3	0	0	0	110.3	L194 D451 S453 R457 S478 Y515	L194-Y476 HydrophobicContact CD1-CD2 3.62Å; L194-Y476 HydrophobicContact CD1-CE2 3.88Å; D451-Y476 WeakPolarHBondContact OD2-CE1 3.45Å; D451-Y476 VanDerWaalsContact OD2-CZ 3.23Å; D451-Y476 PolarHBondContact OD2-OH 2.77Å; S453-Y476 VanDerWaalsContact CB-CD1 3.4Å; S453-Y476 VanDerWaalsContact O-CD1 3.27Å; S453-Y476 WeakPolarHBondContact O-CD1 3.04Å; R457-Y476 WeakPolarHBondContact CB-O 3.21Å; Y476-S478 PolarHBondContact N-OG 3.14Å; Y476-S478 VanDerWaalsContact N-OG 3.16Å; Y476-S478 PolarHBondContact O-N 3.09Å; Y476-S478 VanDerWaalsContact O-N 3.1Å; Y476-Y515 WeakPolarHBondContact CA-OH 3.4Å; Y476-Y515 PolarHBondContact N-OH 2.99Å
477	Q	96.6	Very high	96.7	Very high	22 Å²	22	10.6 Å²	10.6	10%	0.103	5%	0.051	C	C	.	.	S	Bend	trans	52.6	23.5	-172.8	-52.9	175.8	22.6	0	0	114.2	E195 N210 N271 Q479 Y515	E195-Q477 WeakPolarHBondContact OE1-CA 3.4Å; E195-Q477 PolarHBondContact OE1-N 2.67Å; N210-Q477 PolarHBondContact ND2-NE2 3Å; N210-Q477 VanDerWaalsContact ND2-NE2 3.11Å; N210-Q477 PolarHBondContact ND2-OE1 2.98Å; N271-Q477 PolarHBondContact ND2-O 3Å; Q477-Q479 VanDerWaalsContact C-OE1 3.27Å; Q477-Y515 PolarHBondContact N-OH 3.17Å
478	S	96.9	Very high	96.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.007	5%	0.051	C	C	.	.			trans	-111.7	18.1	-169.7	52.1	0	0	0	0	113.7	T460 G475 Y476 N480 I481 Y515	T460-S478 VanDerWaalsContact OG1-CB 3.3Å; T460-S478 WeakPolarHBondContact OG1-CB 3.29Å; G475-S478 WeakPolarHBondContact CA-OG 3.45Å; Y476-S478 PolarHBondContact N-OG 3.14Å; Y476-S478 VanDerWaalsContact N-OG 3.16Å; Y476-S478 PolarHBondContact O-N 3.09Å; Y476-S478 VanDerWaalsContact O-N 3.1Å; S478-N480 PolarHBondContact O-N 2.86Å; S478-I481 WeakPolarHBondContact O-CB 3.09Å; S478-I481 WeakPolarHBondContact O-CG1 3.25Å; S478-I481 PolarHBondContact O-N 2.78Å; S478-Y515 PolarHBondContact N-OH 3.47Å
479	Q	96.7	Very high	96.4	Very high	6 Å²	6	7.5 Å²	7.5	3%	0.028	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.2	177.1	-60.3	81.2	1.3	0	0	113.5	E195 N271 K272 P273 Q477 I481 L513 G514 Y515	E195-Q479 VanDerWaalsContact CG-NE2 3.3Å; E195-Q479 PolarHBondContact OE1-NE2 2.96Å; N271-Q479 HydrophobicContact CB-CB 4.29Å; N271-Q479 VanDerWaalsContact O-CB 3.31Å; N271-Q479 WeakPolarHBondContact O-CB 3.24Å; K272-Q479 CarbonylContact C-O 3.52Å; P273-Q479 VanDerWaalsContact CD-O 3.32Å; P273-Q479 WeakPolarHBondContact CD-O 3.45Å; P273-Q479 VanDerWaalsContact N-O 3.14Å; Q477-Q479 VanDerWaalsContact C-OE1 3.27Å; Q479-I481 PolarHBondContact O-N 3.26Å; Q479-L513 PolarHBondContact NE2-O 2.69Å; Q479-G514 WeakPolarHBondContact CG-O 3.45Å; Q479-Y515 HydrophobicContact CB-CE1 4.5Å; Q479-Y515 HydrophobicContact CG-CD1 4.15Å; Q479-Y515 HydrophobicContact CG-CD2 4.27Å; Q479-Y515 HydrophobicContact CG-CE1 3.95Å; Q479-Y515 HydrophobicContact CG-CE2 4.06Å; Q479-Y515 HydrophobicContact CG-CG 4.3Å; Q479-Y515 PolarHBondContact NE2-OH 2.81Å
480	N	96.4	Very high	96.2	Very high	46 Å²	46	5.6 Å²	5.6	25%	0.246	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.7	173	59.3	-64.5	0	0	0	114.3	N271 K272 Y274 S478 S482	N271-N480 HydrophobicContact CB-CB 3.93Å; K272-N480 VanDerWaalsContact O-CA 3.28Å; K272-N480 WeakPolarHBondContact O-CA 3.25Å; Y274-N480 VanDerWaalsContact CD1-O 3.24Å; Y274-N480 WeakPolarHBondContact CD1-O 3.13Å; S478-N480 PolarHBondContact O-N 2.86Å; N480-S482 PolarHBondContact O-N 3.35Å
481	I	96.6	Very high	96.1	Very high	2 Å²	2	7 Å²	7	1%	0.01	4%	0.035	C	C	.	.	S	Bend	trans	-84	107.6	-176.7	-55.4	-173.6	0	0	0	107.9	T460 E461 I464 L472 S478 Q479 C483 F485	T460-I481 WeakPolarHBondContact O-CD1 3.3Å; T460-I481 WeakPolarHBondContact OG1-CD1 3.41Å; E461-I481 HydrophobicContact CG-CD1 4.29Å; I464-I481 HydrophobicContact CD1-CD1 4.37Å; I464-I481 HydrophobicContact CD1-CG1 4.34Å; I464-I481 HydrophobicContact CG1-CD1 4.25Å; I464-I481 HydrophobicContact CG1-CG1 4.16Å; I464-I481 HydrophobicContact CG1-CG2 4.11Å; L472-I481 HydrophobicContact CD1-CG2 3.99Å; S478-I481 WeakPolarHBondContact O-CB 3.09Å; S478-I481 WeakPolarHBondContact O-CG1 3.25Å; S478-I481 PolarHBondContact O-N 2.78Å; Q479-I481 PolarHBondContact O-N 3.26Å; I481-C483 HydrophobicContact CG2-CB 4.17Å; I481-C483 VanDerWaalsContact CG2-SG 3.53Å; I481-C483 PolarHBondContact O-N 3.18Å; I481-F485 HydrophobicContact CB-CZ 4.43Å; I481-F485 WeakPolarHBondContact O-CE2 3.49Å
482	S	96.1	Very high	96	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.			trans	-73.2	50.6	179.6	-59.3	0	0	0	0	113.5	P273 Y274 K275 N467 N480	P273-S482 VanDerWaalsContact CB-OG 3.27Å; P273-S482 WeakPolarHBondContact CB-OG 3.44Å; Y274-S482 PolarHBondContact N-OG 2.91Å; Y274-S482 VanDerWaalsContact N-OG 3.14Å; K275-S482 PolarHBondContact N-OG 2.86Å; K275-S482 VanDerWaalsContact N-OG 3.08Å; K275-S482 WeakPolarHBondContact O-CB 3.24Å; K275-S482 PolarHBondContact O-OG 3.37Å; N467-S482 WeakPolarHBondContact CB-O 3.37Å; N480-S482 PolarHBondContact O-N 3.35Å
483	C	96.9	Very high	95.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-103.5	166.8	168.8	-65.9	0	0	0	0	109.4	A463 N467 A470 L472 I481 F517	A463-C483 VanDerWaalsContact CB-SG 3.57Å; N467-C483 WeakPolarHBondContact CB-SG 3.29Å; A470-C483 WeakPolarHBondContact O-CB 3.18Å; L472-C483 HydrophobicContact CD1-CB 3.79Å; L472-C483 HydrophobicContact CG-CB 4.24Å; I481-C483 HydrophobicContact CG2-CB 4.17Å; I481-C483 VanDerWaalsContact CG2-SG 3.53Å; I481-C483 PolarHBondContact O-N 3.18Å; C483-F517 WeakPolarHBondContact O-CB 3.49Å
484	F	98.1	Very high	95.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.4	163	-85.4	-101	0	0	0	110.5	P277 M281 F282 A470 E471 L472 F517 L519 P555 S556	P277-F484 HydrophobicContact CB-CD2 4.18Å; P277-F484 HydrophobicContact CB-CE2 3.85Å; P277-F484 HydrophobicContact CG-CD2 4.07Å; P277-F484 HydrophobicContact CG-CE2 3.87Å; M281-F484 HydrophobicContact CB-CD2 4.22Å; M281-F484 HydrophobicContact CB-CE2 3.48Å; M281-F484 VanDerWaalsContact CB-CE2 3.48Å; M281-F484 HydrophobicContact CB-CZ 3.99Å; M281-F484 HydrophobicContact CE-CD2 3.67Å; M281-F484 HydrophobicContact CE-CE2 4.12Å; M281-F484 HydrophobicContact CE-CG 4.16Å; M281-F484 HydrophobicContact CG-CD2 4.49Å; M281-F484 HydrophobicContact CG-CE2 4.16Å; F282-F484 HydrophobicContact CD1-CE1 4.43Å; F282-F484 AromaticContact CD1-CZ 3.64Å; F282-F484 HydrophobicContact CD1-CZ 3.64Å; F282-F484 HydrophobicContact CD2-CE2 4.41Å; F282-F484 HydrophobicContact CD2-CZ 4.21Å; F282-F484 HydrophobicContact CE1-CE1 4.19Å; F282-F484 HydrophobicContact CE1-CE2 4.12Å; F282-F484 AromaticContact CE1-CZ 3.4Å; F282-F484 HydrophobicContact CE1-CZ 3.4Å; F282-F484 VanDerWaalsContact CE1-CZ 3.4Å; F282-F484 AromaticContact CE2-CE2 3.97Å; F282-F484 HydrophobicContact CE2-CE2 3.97Å; F282-F484 AromaticContact CE2-CZ 3.99Å; F282-F484 HydrophobicContact CE2-CZ 3.99Å; F282-F484 HydrophobicContact CG-CZ 4.07Å; F282-F484 AromaticContact CZ-CE2 3.82Å; F282-F484 HydrophobicContact CZ-CE2 3.82Å; F282-F484 AromaticContact CZ-CZ 3.6Å; F282-F484 HydrophobicContact CZ-CZ 3.6Å; A470-F484 PolarHBondContact O-N 2.78Å; A470-F484 VanDerWaalsContact O-N 3.11Å; E471-F484 CarbonylContact C-O 3.58Å; E471-F484 VanDerWaalsContact CA-O 3.29Å; E471-F484 WeakPolarHBondContact CA-O 3.37Å; L472-F484 PolarHBondContact N-O 2.66Å; F484-F517 CarbonylContact C-O 3.52Å; F484-F517 WeakPolarHBondContact CA-O 3.38Å; F484-F517 HydrophobicContact CD1-CB 4.28Å; F484-F517 HydrophobicContact CD2-CB 4.32Å; F484-F517 HydrophobicContact CE1-CB 4.4Å; F484-F517 HydrophobicContact CE2-CB 4.45Å; F484-F517 HydrophobicContact CG-CB 4.25Å; F484-L519 HydrophobicContact CB-CB 4.26Å; F484-L519 HydrophobicContact CD1-CB 4.11Å; F484-P555 HydrophobicContact CE1-CB 4.29Å; F484-S556 VanDerWaalsContact CE1-CB 3.43Å
485	F	98.2	Very high	95.9	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.013	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	172	-72.7	-96.3	0	0	0	109.3	I193 L472 S474 I481 Y515 F517 I518 L519	I193-F485 HydrophobicContact CD1-CB 4.04Å; I193-F485 HydrophobicContact CD1-CD1 4.42Å; L472-F485 HydrophobicContact CB-CD1 3.96Å; L472-F485 HydrophobicContact CB-CE1 4.01Å; L472-F485 HydrophobicContact CD1-CE1 3.81Å; L472-F485 HydrophobicContact CD1-CE2 4.36Å; L472-F485 HydrophobicContact CD1-CZ 3.72Å; L472-F485 CarbonylContact O-C 3.59Å; L472-F485 VanDerWaalsContact O-CA 3.32Å; L472-F485 WeakPolarHBondContact O-CA 3.25Å; S474-F485 WeakPolarHBondContact O-CE1 3.2Å; I481-F485 HydrophobicContact CB-CZ 4.43Å; I481-F485 WeakPolarHBondContact O-CE2 3.49Å; F485-Y515 AromaticContact CD1-CD1 3.84Å; F485-Y515 HydrophobicContact CD1-CD1 3.84Å; F485-Y515 HydrophobicContact CD1-CE1 4.26Å; F485-Y515 AromaticContact CD2-CD1 3.81Å; F485-Y515 HydrophobicContact CD2-CD1 3.81Å; F485-Y515 HydrophobicContact CD2-CG 4.5Å; F485-Y515 AromaticContact CE1-CD1 3.68Å; F485-Y515 HydrophobicContact CE1-CD1 3.68Å; F485-Y515 AromaticContact CE1-CE1 3.75Å; F485-Y515 HydrophobicContact CE1-CE1 3.75Å; F485-Y515 AromaticContact CE2-CD1 3.66Å; F485-Y515 HydrophobicContact CE2-CD1 3.66Å; F485-Y515 HydrophobicContact CE2-CE1 4.29Å; F485-Y515 AromaticContact CG-CD1 3.89Å; F485-Y515 HydrophobicContact CG-CD1 3.89Å; F485-Y515 HydrophobicContact CG-CG 4.42Å; F485-Y515 AromaticContact CZ-CD1 3.59Å; F485-Y515 HydrophobicContact CZ-CD1 3.59Å; F485-Y515 AromaticContact CZ-CE1 3.77Å; F485-Y515 HydrophobicContact CZ-CE1 3.77Å; F485-F517 PolarHBondContact N-O 2.94Å; F485-I518 WeakPolarHBondContact O-CA 3.25Å; F485-L519 PolarHBondContact O-N 3Å
486	R	96.2	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.			trans	-106.4	138	178.8	-166	178.2	60.8	87	2.4	108.6	E471 L472 R473 D489 L519 D521	E471-R486 WeakPolarHBondContact OE1-CD 3.5Å; E471-R486 IonicContact OE1-CZ 2.81Å; E471-R486 IonicContact OE1-NE 3.66Å; E471-R486 PolarHBondContact OE1-NE 2.92Å; E471-R486 IonicContact OE1-NH2 3.06Å; E471-R486 IonicContact OE2-NE 3.21Å; L472-R486 PolarHBondContact O-N 2.91Å; R473-R486 WeakPolarHBondContact CA-O 3.31Å; R486-D489 IonicContact CZ-OD1 3.3Å; R486-D489 IonicContact NH1-OD1 3.64Å; R486-D489 PolarHBondContact NH1-OD1 2.9Å; R486-D489 IonicContact NH2-OD1 3.04Å; R486-D489 PolarHBondContact NH2-OD1 3.13Å; R486-L519 WeakPolarHBondContact CA-O 3.43Å; R486-L519 HydrophobicContact CB-CB 4.26Å; R486-L519 HydrophobicContact CB-CD2 4.33Å; R486-L519 HydrophobicContact CG-CB 4.39Å; R486-L519 HydrophobicContact CG-CD2 4.2Å; R486-L519 HydrophobicContact CG-CG 4.3Å; R486-D521 WeakPolarHBondContact CD-OD1 3.43Å; R486-D521 HydrophobicContact CG-CB 4.13Å; R486-D521 IonicContact CZ-OD1 2.92Å; R486-D521 IonicContact NE-OD1 4Å; R486-D521 IonicContact NH1-OD1 2.71Å; R486-D521 PolarHBondContact NH1-OD1 3.21Å; R486-D521 IonicContact NH1-OD2 2.59Å
487	P	94.9	Very high	95.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	11%	0.114	C	C	.	.			trans	-66.3	170.1	167.4	30.7	-33.1	0	0	0	110.3	T506 I510 L519 D521	P487-T506 HydrophobicContact CB-CG2 3.63Å; P487-T506 HydrophobicContact CG-CG2 4.19Å; P487-I510 HydrophobicContact CB-CD1 4.18Å; P487-L519 WeakPolarHBondContact CD-O 3.07Å; P487-D521 HydrophobicContact CG-CB 4.15Å
488	T	92.2	Very high	95.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.11	C	C	.	.	S	Bend	trans	-55.5	143.1	167.1	-65	0	0	0	0	111.1	I183 Y184 R490	I183-T488 HydrophobicContact CG1-CG2 3.95Å; Y184-T488 HydrophobicContact CD2-CG2 4.35Å; T488-R490 WeakPolarHBondContact O-CG 3.28Å; T488-R490 PolarHBondContact O-N 2.9Å
489	D	91.6	Very high	95.7	Very high	9 Å²	9	20.3 Å²	20.3	5%	0.048	11%	0.11	C	C	.	.			trans	-29.8	126.5	168.7	-74.9	31.1	0	0	0	114.1	Y184 R473 R486 D521 N526 Y528	Y184-D489 HydrophobicContact CD2-CB 4.25Å; R473-D489 IonicContact NH1-OD1 2.81Å; R473-D489 PolarHBondContact NH1-OD1 2.93Å; R486-D489 IonicContact CZ-OD1 3.3Å; R486-D489 IonicContact NH1-OD1 3.64Å; R486-D489 PolarHBondContact NH1-OD1 2.9Å; R486-D489 IonicContact NH2-OD1 3.04Å; R486-D489 PolarHBondContact NH2-OD1 3.13Å; D489-D521 WeakPolarHBondContact CA-OD2 3.49Å; D489-N526 VanDerWaalsContact CB-ND2 3.34Å; D489-N526 WeakPolarHBondContact CB-ND2 3.09Å; D489-N526 PolarHBondContact OD2-ND2 2.85Å; D489-Y528 PolarHBondContact OD2-OH 3.44Å
490	R	92.9	Very high	95.8	Very high	3 Å²	3	20 Å²	20	1%	0.011	11%	0.108	C	C	.	.			trans	-101.1	140.8	-173.7	-62.4	-164.2	79.5	91.7	3.2	112.8	T488 L498 G499 S502 T506 D521 G525 N526 W547	T488-R490 WeakPolarHBondContact O-CG 3.28Å; T488-R490 PolarHBondContact O-N 2.9Å; R490-L498 CarbonylContact C-O 3.57Å; R490-L498 WeakPolarHBondContact CA-O 3.42Å; R490-L498 WeakPolarHBondContact CB-O 3.24Å; R490-L498 PolarHBondContact NE-O 3.01Å; R490-G499 PolarHBondContact NE-O 2.68Å; R490-G499 PolarHBondContact NH2-O 3.43Å; R490-S502 PolarHBondContact NH2-OG 3.41Å; R490-T506 PolarHBondContact NH1-OG1 3Å; R490-D521 WeakPolarHBondContact CB-OD2 3.36Å; R490-D521 HydrophobicContact CG-CB 3.95Å; R490-D521 WeakPolarHBondContact CG-OD2 3.49Å; R490-D521 PolarHBondContact N-OD2 3.46Å; R490-G525 CarbonylContact O-C 3.59Å; R490-G525 WeakPolarHBondContact O-CA 3.37Å; R490-N526 WeakPolarHBondContact O-CB 3.41Å; R490-N526 PolarHBondContact O-N 2.91Å; R490-W547 HydrophobicContact CB-CH2 3.93Å; R490-W547 HydrophobicContact CB-CZ2 3.76Å; R490-W547 HydrophobicContact CG-CZ2 4.5Å
491	D	93.9	Very high	95.8	Very high	30 Å²	30	19.4 Å²	19.4	16%	0.16	10%	0.104	C	C	.	.			trans	-81.9	144	-178.8	-72.2	-35	0	0	0	110.5	Y184 R187 V493 L498 W547	Y184-D491 WeakPolarHBondContact CE2-OD1 3.5Å; Y184-D491 PolarHBondContact OH-OD1 2.96Å; R187-D491 IonicContact CZ-OD2 2.6Å; R187-D491 IonicContact NH2-OD1 3.67Å; R187-D491 IonicContact NH2-OD2 3.49Å; R187-D491 PolarHBondContact NH2-OD2 3.12Å; D491-V493 HydrophobicContact CB-CG2 4Å; D491-V493 PolarHBondContact O-N 3.22Å; D491-L498 HydrophobicContact CB-CB 4.27Å; D491-L498 PolarHBondContact N-O 3.41Å; D491-W547 VanDerWaalsContact O-CH2 3.3Å; D491-W547 WeakPolarHBondContact O-CH2 3.37Å; D491-W547 WeakPolarHBondContact O-CZ3 3.44Å
492	S	94.8	Very high	95.9	Very high	30 Å²	30	19.3 Å²	19.3	21%	0.21	10%	0.103	C	C	.	.	S	Bend	trans	-76	62	-179.2	-62.2	0	0	0	0	112	G524 N526 A527 L543	S492-G524 WeakPolarHBondContact CB-O 3.11Å; S492-G524 PolarHBondContact OG-O 3.06Å; S492-N526 PolarHBondContact OG-N 3.28Å; S492-A527 WeakPolarHBondContact OG-CA 3.39Å; S492-A527 PolarHBondContact OG-N 2.83Å; S492-L543 WeakPolarHBondContact O-CD2 3.33Å
493	V	95.5	Very high	96	Very high	68 Å²	68	19.3 Å²	19.3	41%	0.412	10%	0.103	S	C	.	.	S	Bend	trans	-139.2	159.2	-177.4	-60.3	0	0	0	0	111.2	D491 G499 L500	D491-V493 HydrophobicContact CB-CG2 4Å; D491-V493 PolarHBondContact O-N 3.22Å; V493-G499 CarbonylContact O-C 3.53Å; V493-G499 WeakPolarHBondContact O-CA 3.36Å; V493-L500 PolarHBondContact O-N 3.27Å
494	W	97.1	Very high	96.1	Very high	38 Å²	38	19.4 Å²	19.4	14%	0.144	10%	0.103	C	C	.	.	S	Bend	trans	-75.7	-21	177.9	-66.5	90.1	0	0	0	114.2	L500 K501 E542 L543 R546 P638	W494-L500 HydrophobicContact CE3-CD2 3.82Å; W494-L500 HydrophobicContact CZ3-CD2 3.77Å; W494-K501 VanDerWaalsContact O-CB 3.26Å; W494-K501 WeakPolarHBondContact O-CB 3.08Å; W494-K501 WeakPolarHBondContact O-CD 3.16Å; W494-K501 WeakPolarHBondContact O-CG 3.33Å; W494-K501 PolarHBondContact O-N 2.7Å; W494-E542 HydrophobicContact CH2-CG 4.07Å; W494-E542 HydrophobicContact CZ2-CB 4.27Å; W494-E542 HydrophobicContact CZ2-CG 4.06Å; W494-L543 HydrophobicContact CD2-CD1 3.63Å; W494-L543 HydrophobicContact CE3-CD1 4.05Å; W494-L543 HydrophobicContact CG-CD1 3.89Å; W494-L543 HydrophobicContact CZ2-CB 3.88Å; W494-L543 HydrophobicContact CZ2-CD1 4.28Å; W494-R546 HydrophobicContact CH2-CB 3.97Å; W494-R546 HydrophobicContact CH2-CG 3.69Å; W494-R546 HydrophobicContact CZ3-CB 4.05Å; W494-R546 HydrophobicContact CZ3-CG 4.1Å; W494-P638 HydrophobicContact CD2-CB 4.28Å; W494-P638 HydrophobicContact CD2-CG 4.49Å; W494-P638 HydrophobicContact CZ2-CB 3.88Å
495	G	96.6	Very high	96.1	Very high	29 Å²	29	19.4 Å²	19.4	30%	0.299	10%	0.103	S	C	.	.	S	Bend	trans	-70.8	176.1	-162.7	0	0	0	0	0	117.3	E497 G499 S502	G495-E497 VanDerWaalsContact C-N 3.34Å; G495-G499 CarbonylContact O-C 3.57Å; G495-G499 VanDerWaalsContact O-CA 3.24Å; G495-G499 WeakPolarHBondContact O-CA 3.25Å; G495-G499 PolarHBondContact O-N 3.31Å; G495-S502 PolarHBondContact O-OG 2.81Å
496	Y	97	Very high	96.1	Very high	64 Å²	64	19.4 Å²	19.4	25%	0.251	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.8	174.1	-72.7	-80.3	0	0	0	113.8	V162 Q163 H164 L498 K501 S502 D621	V162-Y496 WeakPolarHBondContact CA-O 3.34Å; Q163-Y496 PolarHBondContact N-O 3.04Å; Q163-Y496 VanDerWaalsContact N-O 3.15Å; Q163-Y496 WeakPolarHBondContact O-CD1 3.12Å; H164-Y496 AromaticContact CE1-CD1 3.67Å; H164-Y496 AromaticContact CE1-CD2 3.56Å; H164-Y496 AromaticContact CE1-CG 3.35Å; H164-Y496 AromaticContact ND1-CD1 3.5Å; H164-Y496 WeakPolarHBondContact ND1-CD1 3.29Å; H164-Y496 AromaticContact ND1-CE1 3.73Å; H164-Y496 AromaticContact ND1-CG 3.7Å; Y496-L498 PolarHBondContact O-N 2.88Å; Y496-K501 HydrophobicContact CD1-CB 3.97Å; Y496-K501 HydrophobicContact CD2-CB 4.28Å; Y496-K501 HydrophobicContact CD2-CD 4.23Å; Y496-K501 HydrophobicContact CE1-CB 3.91Å; Y496-K501 HydrophobicContact CE2-CB 4.22Å; Y496-K501 HydrophobicContact CE2-CD 3.9Å; Y496-K501 HydrophobicContact CG-CB 4.15Å; Y496-S502 WeakPolarHBondContact CA-OG 3.29Å; Y496-S502 WeakPolarHBondContact O-CB 3.42Å; Y496-S502 PolarHBondContact O-OG 3.37Å; Y496-D621 PolarHBondContact OH-OD2 3.02Å
497	E	96	Very high	96.2	Very high	89 Å²	89	19.4 Å²	19.4	42%	0.416	10%	0.104	S	C	.	.	B	Isolated β-bridge	trans	-85.8	105.1	168.8	-166.2	177.2	166	0	0	109.3	A161 V162 R187 G495 G499	A161-E497 HydrophobicContact CB-CG 4.44Å; A161-E497 CarbonylContact O-C 3.47Å; A161-E497 WeakPolarHBondContact O-CA 3.12Å; V162-E497 HydrophobicContact CG2-CB 3.95Å; V162-E497 HydrophobicContact CG2-CG 3.88Å; R187-E497 WeakPolarHBondContact CD-OE1 2.86Å; R187-E497 WeakPolarHBondContact CG-OE1 3.5Å; R187-E497 IonicContact NE-OE1 3.31Å; R187-E497 PolarHBondContact NE-OE1 2.94Å; G495-E497 VanDerWaalsContact C-N 3.34Å; E497-G499 PolarHBondContact O-N 3.11Å
498	L	95.4	Very high	96.4	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	4.7	179.6	-62.4	-179.5	0	0	0	117.6	A161 I183 Y184 R187 R490 D491 Y496	A161-L498 HydrophobicContact CB-CD2 4.37Å; A161-L498 HydrophobicContact CB-CG 4.23Å; A161-L498 PolarHBondContact O-N 2.72Å; I183-L498 HydrophobicContact CD1-CD2 4.2Å; Y184-L498 HydrophobicContact CD2-CD1 4.05Å; Y184-L498 HydrophobicContact CE2-CD1 4.28Å; R187-L498 VanDerWaalsContact CZ-CD1 3.42Å; R490-L498 CarbonylContact C-O 3.57Å; R490-L498 WeakPolarHBondContact CA-O 3.42Å; R490-L498 WeakPolarHBondContact CB-O 3.24Å; R490-L498 PolarHBondContact NE-O 3.01Å; D491-L498 HydrophobicContact CB-CB 4.27Å; D491-L498 PolarHBondContact N-O 3.41Å; Y496-L498 PolarHBondContact O-N 2.88Å
499	G	96.6	Very high	96.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-91	-163.9	-177.6	0	0	0	0	0	114.7	R490 V493 G495 E497 S502	R490-G499 PolarHBondContact NE-O 2.68Å; R490-G499 PolarHBondContact NH2-O 3.43Å; V493-G499 CarbonylContact O-C 3.53Å; V493-G499 WeakPolarHBondContact O-CA 3.36Å; G495-G499 CarbonylContact O-C 3.57Å; G495-G499 VanDerWaalsContact O-CA 3.24Å; G495-G499 WeakPolarHBondContact O-CA 3.25Å; G495-G499 PolarHBondContact O-N 3.31Å; E497-G499 PolarHBondContact O-N 3.11Å; G499-S502 PolarHBondContact O-OG 3.07Å
500	L	98.1	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-64.4	-46.6	-177.2	-178.4	57.4	0	0	0	113	V493 W494 S502 L503 L543 R546 W547 L550 L636	V493-L500 PolarHBondContact O-N 3.27Å; W494-L500 HydrophobicContact CE3-CD2 3.82Å; W494-L500 HydrophobicContact CZ3-CD2 3.77Å; L500-S502 VanDerWaalsContact C-N 3.28Å; L500-S502 PolarHBondContact O-N 3.01Å; L500-L503 VanDerWaalsContact O-CB 3.26Å; L500-L503 WeakPolarHBondContact O-CB 3.44Å; L500-L503 PolarHBondContact O-N 2.99Å; L500-L543 HydrophobicContact CB-CD1 3.93Å; L500-L543 HydrophobicContact CD2-CD1 3.9Å; L500-R546 HydrophobicContact CD2-CB 3.95Å; L500-W547 HydrophobicContact CB-CD2 4.42Å; L500-W547 HydrophobicContact CB-CE3 3.9Å; L500-W547 HydrophobicContact CB-CZ3 4.04Å; L500-W547 HydrophobicContact CD1-CB 4.02Å; L500-W547 HydrophobicContact CD1-CD2 3.85Å; L500-W547 HydrophobicContact CD1-CE3 4.16Å; L500-W547 HydrophobicContact CD1-CG 3.79Å; L500-W547 HydrophobicContact CG-CE3 4.47Å; L500-L550 HydrophobicContact CD1-CD2 3.77Å; L500-L636 HydrophobicContact CD1-CD2 4.34Å; L500-L636 HydrophobicContact CD2-CD2 4.32Å; L500-L636 HydrophobicContact CG-CD2 3.92Å
501	K	97.9	Very high	97.3	Very high	34 Å²	34	18.6 Å²	18.6	15%	0.148	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.4	-177.7	-78.2	171.7	-162.5	-166	0	113.6	W494 Y496 L503 P505 L636 E637	W494-K501 VanDerWaalsContact O-CB 3.26Å; W494-K501 WeakPolarHBondContact O-CB 3.08Å; W494-K501 WeakPolarHBondContact O-CD 3.16Å; W494-K501 WeakPolarHBondContact O-CG 3.33Å; W494-K501 PolarHBondContact O-N 2.7Å; Y496-K501 HydrophobicContact CD1-CB 3.97Å; Y496-K501 HydrophobicContact CD2-CB 4.28Å; Y496-K501 HydrophobicContact CD2-CD 4.23Å; Y496-K501 HydrophobicContact CE1-CB 3.91Å; Y496-K501 HydrophobicContact CE2-CB 4.22Å; Y496-K501 HydrophobicContact CE2-CD 3.9Å; Y496-K501 HydrophobicContact CG-CB 4.15Å; K501-L503 VanDerWaalsContact C-N 3.28Å; K501-L503 PolarHBondContact O-N 3.14Å; K501-P505 VanDerWaalsContact O-CD 3.27Å; K501-P505 WeakPolarHBondContact O-CD 3.41Å; K501-L636 WeakPolarHBondContact CE-O 3.03Å; K501-L636 HydrophobicContact CG-CB 4Å; K501-E637 VanDerWaalsContact CE-CD 3.46Å; K501-E637 WeakPolarHBondContact CE-OE1 3.49Å; K501-E637 WeakPolarHBondContact CE-OE2 3.28Å; K501-E637 IonicContact NZ-OE1 3.04Å; K501-E637 PolarHBondContact NZ-OE1 3.07Å; K501-E637 IonicContact NZ-OE2 2.78Å; K501-E637 PolarHBondContact NZ-OE2 3.08Å
502	S	97.6	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.7	178	42.4	0	0	0	0	114.4	Q163 R490 G495 Y496 G499 L500 P505 T506	Q163-S502 VanDerWaalsContact O-CB 3.29Å; Q163-S502 WeakPolarHBondContact O-CB 3.44Å; R490-S502 PolarHBondContact NH2-OG 3.41Å; G495-S502 PolarHBondContact O-OG 2.81Å; Y496-S502 WeakPolarHBondContact CA-OG 3.29Å; Y496-S502 WeakPolarHBondContact O-CB 3.42Å; Y496-S502 PolarHBondContact O-OG 3.37Å; G499-S502 PolarHBondContact O-OG 3.07Å; L500-S502 VanDerWaalsContact C-N 3.28Å; L500-S502 PolarHBondContact O-N 3.01Å; S502-P505 WeakPolarHBondContact O-CD 3.39Å; S502-T506 WeakPolarHBondContact O-CB 3.33Å; S502-T506 PolarHBondContact O-N 2.86Å; S502-T506 PolarHBondContact O-OG1 2.95Å
503	L	98.4	Very high	97.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-48.3	-178	-178.6	53.8	0	0	0	112.1	L500 K501 T506 V507 P520 L550	L500-L503 VanDerWaalsContact O-CB 3.26Å; L500-L503 WeakPolarHBondContact O-CB 3.44Å; L500-L503 PolarHBondContact O-N 2.99Å; K501-L503 VanDerWaalsContact C-N 3.28Å; K501-L503 PolarHBondContact O-N 3.14Å; L503-T506 PolarHBondContact O-N 3.46Å; L503-V507 HydrophobicContact CD1-CG2 4.03Å; L503-V507 WeakPolarHBondContact O-CG2 3.46Å; L503-V507 PolarHBondContact O-N 2.96Å; L503-P520 HydrophobicContact CD1-CB 3.86Å; L503-P520 WeakPolarHBondContact CD1-O 3.32Å; L503-P520 HydrophobicContact CD2-CB 4.17Å; L503-P520 HydrophobicContact CG-CB 4.43Å; L503-L550 HydrophobicContact CB-CD2 4.18Å; L503-L550 HydrophobicContact CD2-CD2 3.84Å; L503-L550 HydrophobicContact CD2-CG 4.18Å; L503-L550 HydrophobicContact CG-CD2 4.22Å
504	I	98.7	Very high	97.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-51.4	174.8	-67.6	165.1	0	0	0	110.9	T506 V507 L508 L550 M554 D621 F624 P634 L636	I504-T506 VanDerWaalsContact C-N 3.28Å; I504-T506 PolarHBondContact O-N 3.42Å; I504-V507 PolarHBondContact O-N 2.86Å; I504-L508 HydrophobicContact CG2-CD1 3.62Å; I504-L508 HydrophobicContact CG2-CG 3.96Å; I504-L508 WeakPolarHBondContact O-CB 3.46Å; I504-L508 VanDerWaalsContact O-CG 3.3Å; I504-L508 WeakPolarHBondContact O-CG 3.33Å; I504-L508 PolarHBondContact O-N 3Å; I504-L550 HydrophobicContact CD1-CD1 4.07Å; I504-L550 HydrophobicContact CD1-CD2 4.34Å; I504-L550 HydrophobicContact CG1-CD1 4Å; I504-L550 HydrophobicContact CG1-CD2 4.13Å; I504-M554 HydrophobicContact CG1-CE 4.18Å; I504-D621 VanDerWaalsContact CB-O 3.29Å; I504-D621 WeakPolarHBondContact CB-O 3.46Å; I504-D621 WeakPolarHBondContact CG2-O 3Å; I504-F624 HydrophobicContact CD1-CD1 3.68Å; I504-F624 HydrophobicContact CD1-CE1 3.95Å; I504-F624 HydrophobicContact CG1-CD1 3.75Å; I504-F624 HydrophobicContact CG1-CE1 4.04Å; I504-F624 HydrophobicContact CG2-CB 4.3Å; I504-F624 HydrophobicContact CG2-CD1 4.26Å; I504-P634 HydrophobicContact CD1-CG 3.7Å; I504-L636 HydrophobicContact CD1-CD1 4.35Å
505	P	98.8	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-50.2	-41.3	171.4	-34.2	38.2	0	0	0	115.4	Q163 W165 K501 S502 T509 D621	Q163-P505 HydrophobicContact CB-CB 4.32Å; Q163-P505 HydrophobicContact CG-CB 3.62Å; Q163-P505 WeakPolarHBondContact O-CB 3.42Å; W165-P505 HydrophobicContact CB-CB 4.07Å; W165-P505 HydrophobicContact CB-CG 4.13Å; K501-P505 VanDerWaalsContact O-CD 3.27Å; K501-P505 WeakPolarHBondContact O-CD 3.41Å; S502-P505 WeakPolarHBondContact O-CD 3.39Å; P505-T509 VanDerWaalsContact O-CB 3.3Å; P505-T509 WeakPolarHBondContact O-CB 3.5Å; P505-T509 PolarHBondContact O-N 3.28Å; P505-T509 PolarHBondContact O-OG1 3.02Å; P505-D621 HydrophobicContact CG-CB 3.95Å
506	T	98.6	Very high	97.8	Very high	3 Å²	3	10 Å²	10	2%	0.018	5%	0.046	C	C	.	.	H	α-helix	trans	-66.4	-50.1	177.4	-59.6	0	0	0	0	110.7	V159 P487 R490 S502 L503 I504 L508 T509 I510	V159-T506 HydrophobicContact CG1-CG2 4.21Å; P487-T506 HydrophobicContact CB-CG2 3.63Å; P487-T506 HydrophobicContact CG-CG2 4.19Å; R490-T506 PolarHBondContact NH1-OG1 3Å; S502-T506 WeakPolarHBondContact O-CB 3.33Å; S502-T506 PolarHBondContact O-N 2.86Å; S502-T506 PolarHBondContact O-OG1 2.95Å; L503-T506 PolarHBondContact O-N 3.46Å; I504-T506 VanDerWaalsContact C-N 3.28Å; I504-T506 PolarHBondContact O-N 3.42Å; T506-L508 PolarHBondContact O-N 3.2Å; T506-T509 WeakPolarHBondContact O-CB 3.32Å; T506-T509 PolarHBondContact O-N 3.2Å; T506-I510 HydrophobicContact CG2-CD1 3.82Å; T506-I510 HydrophobicContact CG2-CG1 4.45Å; T506-I510 WeakPolarHBondContact O-CG1 3.35Å; T506-I510 PolarHBondContact O-N 3.02Å
507	V	98.7	Very high	97.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-62.8	-43.8	-179.8	173.8	0	0	0	0	111.3	L503 I504 T509 I510 S511 I518 M554 I604	L503-V507 HydrophobicContact CD1-CG2 4.03Å; L503-V507 WeakPolarHBondContact O-CG2 3.46Å; L503-V507 PolarHBondContact O-N 2.96Å; I504-V507 PolarHBondContact O-N 2.86Å; V507-T509 VanDerWaalsContact C-N 3.31Å; V507-T509 PolarHBondContact O-N 3.14Å; V507-I510 PolarHBondContact O-N 3.06Å; V507-S511 VanDerWaalsContact O-CB 3.24Å; V507-S511 WeakPolarHBondContact O-CB 3.36Å; V507-S511 PolarHBondContact O-N 3.15Å; V507-S511 PolarHBondContact O-OG 2.92Å; V507-I518 HydrophobicContact CG1-CD1 3.89Å; V507-I518 HydrophobicContact CG1-CG2 4.31Å; V507-I518 HydrophobicContact CG2-CG2 4.15Å; V507-M554 HydrophobicContact CB-SD 4.3Å; V507-M554 HydrophobicContact CG1-SD 3.88Å; V507-M554 HydrophobicContact CG2-CE 4.37Å; V507-M554 HydrophobicContact CG2-SD 3.91Å; V507-I604 HydrophobicContact CG1-CB 3.91Å; V507-I604 HydrophobicContact CG1-CG1 3.99Å; V507-I604 HydrophobicContact CG1-CG2 3.78Å
508	L	98.8	Very high	98	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.3	-38.9	175.2	-69.6	178.3	0	0	0	111.9	W165 I504 T506 S511 I512 I604 P606 F624	W165-L508 HydrophobicContact CD2-CB 3.97Å; W165-L508 HydrophobicContact CD2-CD1 3.89Å; W165-L508 HydrophobicContact CE3-CB 3.66Å; W165-L508 HydrophobicContact CE3-CD1 4.44Å; W165-L508 HydrophobicContact CG-CD1 3.96Å; W165-L508 HydrophobicContact CH2-CB 3.98Å; W165-L508 HydrophobicContact CZ2-CB 4.28Å; W165-L508 HydrophobicContact CZ2-CD1 4.49Å; W165-L508 HydrophobicContact CZ3-CB 3.67Å; I504-L508 HydrophobicContact CG2-CD1 3.62Å; I504-L508 HydrophobicContact CG2-CG 3.96Å; I504-L508 WeakPolarHBondContact O-CB 3.46Å; I504-L508 VanDerWaalsContact O-CG 3.3Å; I504-L508 WeakPolarHBondContact O-CG 3.33Å; I504-L508 PolarHBondContact O-N 3Å; T506-L508 PolarHBondContact O-N 3.2Å; L508-S511 WeakPolarHBondContact O-CB 3.14Å; L508-I512 WeakPolarHBondContact O-CG1 3.22Å; L508-I512 PolarHBondContact O-N 3.01Å; L508-I512 VanDerWaalsContact O-N 3.14Å; L508-I604 HydrophobicContact CD2-CG2 4.16Å; L508-P606 HydrophobicContact CD1-CB 4.28Å; L508-P606 HydrophobicContact CD2-CB 4.06Å; L508-F624 HydrophobicContact CD2-CB 4.35Å
509	T	98.7	Very high	98.1	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-65.2	-51.2	175.5	-60.2	0	0	0	0	111.2	V159 Q163 P505 T506 V507 S511 I512 L513	V159-T509 HydrophobicContact CG1-CG2 4.36Å; Q163-T509 PolarHBondContact NE2-OG1 2.81Å; P505-T509 VanDerWaalsContact O-CB 3.3Å; P505-T509 WeakPolarHBondContact O-CB 3.5Å; P505-T509 PolarHBondContact O-N 3.28Å; P505-T509 PolarHBondContact O-OG1 3.02Å; T506-T509 WeakPolarHBondContact O-CB 3.32Å; T506-T509 PolarHBondContact O-N 3.2Å; V507-T509 VanDerWaalsContact C-N 3.31Å; V507-T509 PolarHBondContact O-N 3.14Å; T509-S511 VanDerWaalsContact C-N 3.26Å; T509-S511 PolarHBondContact O-N 2.68Å; T509-I512 VanDerWaalsContact O-CG1 3.28Å; T509-I512 WeakPolarHBondContact O-CG1 3.48Å; T509-I512 PolarHBondContact O-N 2.96Å; T509-L513 HydrophobicContact CG2-CD1 3.94Å; T509-L513 VanDerWaalsContact O-CG 3.23Å; T509-L513 WeakPolarHBondContact O-CG 3.24Å; T509-L513 PolarHBondContact O-N 3.49Å; T509-L513 VanDerWaalsContact O-N 3.09Å
510	I	98.6	Very high	98.1	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-57.1	-42.4	177.3	-66.2	170.4	0	0	0	110.9	V159 I193 P487 T506 V507 I512 L513 G514 Y515 I518	V159-I510 HydrophobicContact CG1-CD1 4.08Å; V159-I510 HydrophobicContact CG1-CG1 3.51Å; I193-I510 HydrophobicContact CD1-CD1 3.89Å; I193-I510 HydrophobicContact CD1-CG1 4.14Å; I193-I510 HydrophobicContact CD1-CG2 4.4Å; I193-I510 HydrophobicContact CG2-CG1 4.49Å; P487-I510 HydrophobicContact CB-CD1 4.18Å; T506-I510 HydrophobicContact CG2-CD1 3.82Å; T506-I510 HydrophobicContact CG2-CG1 4.45Å; T506-I510 WeakPolarHBondContact O-CG1 3.35Å; T506-I510 PolarHBondContact O-N 3.02Å; V507-I510 PolarHBondContact O-N 3.06Å; I510-I512 PolarHBondContact O-N 3.12Å; I510-L513 PolarHBondContact O-N 3.3Å; I510-L513 VanDerWaalsContact O-N 3.13Å; I510-G514 PolarHBondContact O-N 2.67Å; I510-Y515 PolarHBondContact O-N 3.43Å; I510-I518 HydrophobicContact CB-CD1 3.97Å; I510-I518 HydrophobicContact CD1-CG2 4.5Å; I510-I518 HydrophobicContact CG2-CD1 3.67Å; I510-I518 HydrophobicContact CG2-CG1 3.76Å
511	S	98.1	Very high	97.9	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.007	1%	0.014	C	C	.	.	H	α-helix	trans	-57.2	-48.9	177.8	-64.3	0	0	0	0	112.7	V507 L508 T509 L513 G514 Q516 I518 I604	V507-S511 VanDerWaalsContact O-CB 3.24Å; V507-S511 WeakPolarHBondContact O-CB 3.36Å; V507-S511 PolarHBondContact O-N 3.15Å; V507-S511 PolarHBondContact O-OG 2.92Å; L508-S511 WeakPolarHBondContact O-CB 3.14Å; T509-S511 VanDerWaalsContact C-N 3.26Å; T509-S511 PolarHBondContact O-N 2.68Å; S511-L513 VanDerWaalsContact C-N 3.3Å; S511-L513 PolarHBondContact O-N 2.86Å; S511-G514 PolarHBondContact O-N 3.45Å; S511-G514 VanDerWaalsContact O-N 3.14Å; S511-Q516 PolarHBondContact O-NE2 3.21Å; S511-Q516 PolarHBondContact O-OE1 2.7Å; S511-I518 WeakPolarHBondContact OG-CD1 3.38Å; S511-I604 WeakPolarHBondContact CB-O 3.35Å; S511-I604 PolarHBondContact OG-O 3.27Å
512	I	98	Very high	97.8	Very high	1 Å²	1	1.1 Å²	1.1	1%	0.005	1%	0.007	C	C	.	.	H	α-helix	trans	-78.1	-10.7	177.6	65.1	161	0	0	0	114.2	G156 W165 H262 F270 L508 T509 I510	G156-I512 VanDerWaalsContact N-CD1 3.34Å; W165-I512 HydrophobicContact CH2-CD1 3.74Å; W165-I512 HydrophobicContact CH2-CG1 4.18Å; W165-I512 HydrophobicContact CH2-CG2 4.04Å; W165-I512 HydrophobicContact CZ3-CD1 3.86Å; W165-I512 HydrophobicContact CZ3-CG1 4.25Å; H262-I512 PolarHBondContact CE1-O 3.08Å; F270-I512 WeakPolarHBondContact CE2-O 3.49Å; L508-I512 WeakPolarHBondContact O-CG1 3.22Å; L508-I512 PolarHBondContact O-N 3.01Å; L508-I512 VanDerWaalsContact O-N 3.14Å; T509-I512 VanDerWaalsContact O-CG1 3.28Å; T509-I512 WeakPolarHBondContact O-CG1 3.48Å; T509-I512 PolarHBondContact O-N 2.96Å; I510-I512 PolarHBondContact O-N 3.12Å
513	L	98.4	Very high	97.8	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.3	167.9	-61.6	170.5	0	0	0	112	I193 E195 F270 Q479 T509 I510 S511 Y515	I193-L513 HydrophobicContact CG2-CD1 4.41Å; E195-L513 HydrophobicContact CB-CD2 3.77Å; E195-L513 HydrophobicContact CG-CB 4.36Å; E195-L513 HydrophobicContact CG-CD2 4.39Å; F270-L513 VanDerWaalsContact CE2-C 3.45Å; F270-L513 WeakPolarHBondContact CE2-O 3.38Å; Q479-L513 PolarHBondContact NE2-O 2.69Å; T509-L513 HydrophobicContact CG2-CD1 3.94Å; T509-L513 VanDerWaalsContact O-CG 3.23Å; T509-L513 WeakPolarHBondContact O-CG 3.24Å; T509-L513 PolarHBondContact O-N 3.49Å; T509-L513 VanDerWaalsContact O-N 3.09Å; I510-L513 PolarHBondContact O-N 3.3Å; I510-L513 VanDerWaalsContact O-N 3.13Å; S511-L513 VanDerWaalsContact C-N 3.3Å; S511-L513 PolarHBondContact O-N 2.86Å; L513-Y515 HydrophobicContact CB-CD2 3.93Å; L513-Y515 HydrophobicContact CB-CE2 4.17Å; L513-Y515 WeakPolarHBondContact O-CD2 3.45Å; L513-Y515 WeakPolarHBondContact O-CE2 3.42Å
514	G	97.4	Very high	97.7	Very high	5 Å²	5	1.1 Å²	1.1	5%	0.052	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	6.7	170.8	0	0	0	0	0	115.2	Q479 I510 S511 Q516	Q479-G514 WeakPolarHBondContact CG-O 3.45Å; I510-G514 PolarHBondContact O-N 2.67Å; S511-G514 PolarHBondContact O-N 3.45Å; S511-G514 VanDerWaalsContact O-N 3.14Å; G514-Q516 PolarHBondContact O-N 2.65Å
515	Y	98.1	Very high	97.4	Very high	2 Å²	2	1.1 Å²	1.1	1%	0.008	1%	0.007	C	C	.	.			trans	-96.8	90.1	-178.2	-62.5	-85.6	0	0	0	109	I193 E195 Y476 Q477 S478 Q479 F485 I510 L513 I518	I193-Y515 HydrophobicContact CG2-CD2 3.71Å; I193-Y515 HydrophobicContact CG2-CE2 3.8Å; I193-Y515 HydrophobicContact CG2-CG 4.34Å; E195-Y515 HydrophobicContact CG-CE2 4.29Å; E195-Y515 PolarHBondContact OE1-OH 3.11Å; E195-Y515 VanDerWaalsContact OE1-OH 3.13Å; Y476-Y515 WeakPolarHBondContact CA-OH 3.4Å; Y476-Y515 PolarHBondContact N-OH 2.99Å; Q477-Y515 PolarHBondContact N-OH 3.17Å; S478-Y515 PolarHBondContact N-OH 3.47Å; Q479-Y515 HydrophobicContact CB-CE1 4.5Å; Q479-Y515 HydrophobicContact CG-CD1 4.15Å; Q479-Y515 HydrophobicContact CG-CD2 4.27Å; Q479-Y515 HydrophobicContact CG-CE1 3.95Å; Q479-Y515 HydrophobicContact CG-CE2 4.06Å; Q479-Y515 HydrophobicContact CG-CG 4.3Å; Q479-Y515 PolarHBondContact NE2-OH 2.81Å; F485-Y515 AromaticContact CD1-CD1 3.84Å; F485-Y515 HydrophobicContact CD1-CD1 3.84Å; F485-Y515 HydrophobicContact CD1-CE1 4.26Å; F485-Y515 AromaticContact CD2-CD1 3.81Å; F485-Y515 HydrophobicContact CD2-CD1 3.81Å; F485-Y515 HydrophobicContact CD2-CG 4.5Å; F485-Y515 AromaticContact CE1-CD1 3.68Å; F485-Y515 HydrophobicContact CE1-CD1 3.68Å; F485-Y515 AromaticContact CE1-CE1 3.75Å; F485-Y515 HydrophobicContact CE1-CE1 3.75Å; F485-Y515 AromaticContact CE2-CD1 3.66Å; F485-Y515 HydrophobicContact CE2-CD1 3.66Å; F485-Y515 HydrophobicContact CE2-CE1 4.29Å; F485-Y515 AromaticContact CG-CD1 3.89Å; F485-Y515 HydrophobicContact CG-CD1 3.89Å; F485-Y515 HydrophobicContact CG-CG 4.42Å; F485-Y515 AromaticContact CZ-CD1 3.59Å; F485-Y515 HydrophobicContact CZ-CD1 3.59Å; F485-Y515 AromaticContact CZ-CE1 3.77Å; F485-Y515 HydrophobicContact CZ-CE1 3.77Å; I510-Y515 PolarHBondContact O-N 3.43Å; L513-Y515 HydrophobicContact CB-CD2 3.93Å; L513-Y515 HydrophobicContact CB-CE2 4.17Å; L513-Y515 WeakPolarHBondContact O-CD2 3.45Å; L513-Y515 WeakPolarHBondContact O-CE2 3.42Å; Y515-I518 WeakPolarHBondContact O-CD1 3.43Å; Y515-I518 WeakPolarHBondContact O-CG1 3.5Å
516	Q	96.4	Very high	97	Very high	6 Å²	6	1.1 Å²	1.1	3%	0.028	1%	0.007	C	C	.	.			trans	-89.5	-18.6	-164.8	-50.4	-52.6	-9.9	0	0	115.7	S511 G514 I518 V596 G600 P602 I603	S511-Q516 PolarHBondContact O-NE2 3.21Å; S511-Q516 PolarHBondContact O-OE1 2.7Å; G514-Q516 PolarHBondContact O-N 2.65Å; Q516-I518 PolarHBondContact O-N 2.72Å; Q516-V596 HydrophobicContact CB-CG1 3.87Å; Q516-V596 HydrophobicContact CB-CG2 3.89Å; Q516-V596 HydrophobicContact CG-CG1 3.75Å; Q516-V596 HydrophobicContact CG-CG2 3.96Å; Q516-G600 PolarHBondContact NE2-O 3.37Å; Q516-P602 VanDerWaalsContact OE1-CA 3.31Å; Q516-I603 HydrophobicContact CB-CD1 4.47Å; Q516-I603 HydrophobicContact CB-CG1 4.29Å
517	F	98.2	Very high	96.4	Very high	4 Å²	4	1.6 Å²	1.6	2%	0.018	1%	0.011	C	C	.	.	S	Bend	trans	-91.1	96.6	172.4	-48.9	-42.4	0	0	0	107.4	P273 P277 F282 C483 F484 F485 A593 I603	P273-F517 HydrophobicContact CB-CD2 4.44Å; P273-F517 HydrophobicContact CB-CE2 3.48Å; P273-F517 VanDerWaalsContact CB-CE2 3.48Å; P273-F517 HydrophobicContact CB-CZ 3.99Å; P273-F517 HydrophobicContact CG-CE2 3.7Å; P273-F517 HydrophobicContact CG-CZ 3.78Å; P277-F517 VanDerWaalsContact CD-CE2 3.43Å; P277-F517 HydrophobicContact CG-CB 4.31Å; P277-F517 HydrophobicContact CG-CD1 4.43Å; P277-F517 HydrophobicContact CG-CD2 3.62Å; P277-F517 HydrophobicContact CG-CE2 4.01Å; P277-F517 HydrophobicContact CG-CG 3.86Å; F282-F517 HydrophobicContact CE1-CD1 4.2Å; F282-F517 AromaticContact CZ-CD1 3.89Å; F282-F517 HydrophobicContact CZ-CD1 3.89Å; F282-F517 HydrophobicContact CZ-CE1 4.33Å; F282-F517 HydrophobicContact CZ-CG 4.48Å; C483-F517 WeakPolarHBondContact O-CB 3.49Å; F484-F517 CarbonylContact C-O 3.52Å; F484-F517 WeakPolarHBondContact CA-O 3.38Å; F484-F517 HydrophobicContact CD1-CB 4.28Å; F484-F517 HydrophobicContact CD2-CB 4.32Å; F484-F517 HydrophobicContact CE1-CB 4.4Å; F484-F517 HydrophobicContact CE2-CB 4.45Å; F484-F517 HydrophobicContact CG-CB 4.25Å; F485-F517 PolarHBondContact N-O 2.94Å; F517-A593 HydrophobicContact CD1-CB 4.47Å; F517-A593 HydrophobicContact CE1-CB 3.78Å; F517-I603 HydrophobicContact CD1-CD1 4.3Å; F517-I603 HydrophobicContact CE1-CD1 4.44Å
518	I	98.1	Very high	95.3	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.025	C	C	.	.	B	Isolated β-bridge	trans	-112.6	129	-170.6	-54.3	174.5	0	0	0	109.7	F485 V507 I510 S511 Y515 Q516 P555	F485-I518 WeakPolarHBondContact O-CA 3.25Å; V507-I518 HydrophobicContact CG1-CD1 3.89Å; V507-I518 HydrophobicContact CG1-CG2 4.31Å; V507-I518 HydrophobicContact CG2-CG2 4.15Å; I510-I518 HydrophobicContact CB-CD1 3.97Å; I510-I518 HydrophobicContact CD1-CG2 4.5Å; I510-I518 HydrophobicContact CG2-CD1 3.67Å; I510-I518 HydrophobicContact CG2-CG1 3.76Å; S511-I518 WeakPolarHBondContact OG-CD1 3.38Å; Y515-I518 WeakPolarHBondContact O-CD1 3.43Å; Y515-I518 WeakPolarHBondContact O-CG1 3.5Å; Q516-I518 PolarHBondContact O-N 2.72Å; I518-P555 HydrophobicContact CB-CG 4.43Å
519	L	97.8	Very high	93.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.			trans	-101.8	118.2	168.5	-177.2	64.7	0	0	0	107.1	I286 E471 F484 F485 R486 P487 D521 Q558	I286-L519 HydrophobicContact CD1-CD1 3.96Å; I286-L519 HydrophobicContact CD1-CD2 4.04Å; E471-L519 HydrophobicContact CB-CD2 4.19Å; E471-L519 WeakPolarHBondContact OE2-CD2 3.36Å; F484-L519 HydrophobicContact CB-CB 4.26Å; F484-L519 HydrophobicContact CD1-CB 4.11Å; F485-L519 PolarHBondContact O-N 3Å; R486-L519 WeakPolarHBondContact CA-O 3.43Å; R486-L519 HydrophobicContact CB-CB 4.26Å; R486-L519 HydrophobicContact CB-CD2 4.33Å; R486-L519 HydrophobicContact CG-CB 4.39Å; R486-L519 HydrophobicContact CG-CD2 4.2Å; R486-L519 HydrophobicContact CG-CG 4.3Å; P487-L519 WeakPolarHBondContact CD-O 3.07Å; L519-D521 PolarHBondContact O-N 2.87Å; L519-Q558 HydrophobicContact CD1-CB 4.03Å
520	P	96.1	Very high	90.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.			trans	-73	14.3	-171.5	32.1	-40.9	0	0	0	115.6	L503 M554 S556	L503-P520 HydrophobicContact CD1-CB 3.86Å; L503-P520 WeakPolarHBondContact CD1-O 3.32Å; L503-P520 HydrophobicContact CD2-CB 4.17Å; L503-P520 HydrophobicContact CG-CB 4.43Å; P520-M554 HydrophobicContact CB-CB 4.08Å; P520-M554 HydrophobicContact CB-CG 3.83Å; P520-M554 HydrophobicContact CG-CB 3.66Å; P520-M554 HydrophobicContact CG-CG 3.9Å; P520-S556 WeakPolarHBondContact CD-O 3.39Å; P520-S556 WeakPolarHBondContact CG-O 3.39Å
521	D	94.6	Very high	88.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.			trans	66.3	175.6	-164.2	-161.9	34	0	0	0	114	R486 P487 D489 R490 L519	R486-D521 WeakPolarHBondContact CD-OD1 3.43Å; R486-D521 HydrophobicContact CG-CB 4.13Å; R486-D521 IonicContact CZ-OD1 2.92Å; R486-D521 IonicContact NE-OD1 4Å; R486-D521 IonicContact NH1-OD1 2.71Å; R486-D521 PolarHBondContact NH1-OD1 3.21Å; R486-D521 IonicContact NH1-OD2 2.59Å; P487-D521 HydrophobicContact CG-CB 4.15Å; D489-D521 WeakPolarHBondContact CA-OD2 3.49Å; R490-D521 WeakPolarHBondContact CB-OD2 3.36Å; R490-D521 HydrophobicContact CG-CB 3.95Å; R490-D521 WeakPolarHBondContact CG-OD2 3.49Å; R490-D521 PolarHBondContact N-OD2 3.46Å; L519-D521 PolarHBondContact O-N 2.87Å
522	M	95.3	Very high	85.4	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-60.7	136.1	-174	-61.9	165.8	-68	0	0	113.4	W290 A291 G524 G525 N526 Q558 S560	W290-M522 HydrophobicContact CB-SD 4.5Å; A291-M522 HydrophobicContact CB-SD 4.13Å; M522-G524 PolarHBondContact O-N 2.81Å; M522-G525 PolarHBondContact O-N 3.05Å; M522-N526 HydrophobicContact CE-CB 4.33Å; M522-N526 VanDerWaalsContact CE-ND2 3.25Å; M522-N526 WeakPolarHBondContact CE-ND2 3.43Å; M522-Q558 WeakPolarHBondContact CA-O 3.17Å; M522-Q558 HydrophobicContact CG-CG 4.23Å; M522-S560 VanDerWaalsContact SD-CB 3.53Å
523	I	98.1	Very high	82.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	125.1	174.4	-68.7	163.9	0	0	0	110.6	G525 Y544 L548 M557 Q558 F559	I523-G525 VanDerWaalsContact C-N 3.33Å; I523-Y544 HydrophobicContact CG2-CD2 4.28Å; I523-Y544 HydrophobicContact CG2-CE1 4.44Å; I523-Y544 HydrophobicContact CG2-CE2 3.89Å; I523-L548 HydrophobicContact CD1-CD1 4.08Å; I523-L548 HydrophobicContact CG2-CB 3.76Å; I523-M557 HydrophobicContact CD1-CB 4.43Å; I523-M557 HydrophobicContact CD1-CE 3.9Å; I523-Q558 WeakPolarHBondContact CG1-O 3.33Å; I523-Q558 PolarHBondContact N-O 3.45Å; I523-F559 HydrophobicContact CB-CD1 4.28Å; I523-F559 HydrophobicContact CB-CE1 4.48Å; I523-F559 HydrophobicContact CD1-CD1 3.8Å; I523-F559 HydrophobicContact CD1-CD2 4.41Å; I523-F559 HydrophobicContact CD1-CE1 3.6Å; I523-F559 HydrophobicContact CD1-CE2 4.23Å; I523-F559 HydrophobicContact CD1-CG 4.21Å; I523-F559 HydrophobicContact CD1-CZ 3.83Å; I523-F559 HydrophobicContact CG2-CD1 4.42Å; I523-F559 HydrophobicContact CG2-CE1 4.26Å
524	G	95.7	Very high	79.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	2.3	-177.1	0	0	0	0	0	115.1	S492 M522 P539 W547	S492-G524 WeakPolarHBondContact CB-O 3.11Å; S492-G524 PolarHBondContact OG-O 3.06Å; M522-G524 PolarHBondContact O-N 2.81Å; G524-P539 WeakPolarHBondContact O-CG 3.17Å; G524-W547 VanDerWaalsContact N-CG 3.3Å
525	G	93.7	Very high	77.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.			trans	70.2	-166.6	-174.8	0	0	0	0	0	113.2	R490 M522 I523	R490-G525 CarbonylContact O-C 3.59Å; R490-G525 WeakPolarHBondContact O-CA 3.37Å; M522-G525 PolarHBondContact O-N 3.05Å; I523-G525 VanDerWaalsContact C-N 3.33Å
526	N	89.3	Confident	75.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.			trans	-88.4	-8.8	-163.9	-135	-53.9	0	0	0	116	W290 K294 D489 R490 S492 M522 Y528	W290-N526 VanDerWaalsContact CD1-OD1 3.3Å; W290-N526 PolarHBondContact NE1-OD1 2.91Å; K294-N526 PolarHBondContact NZ-O 3.29Å; K294-N526 PolarHBondContact NZ-OD1 2.89Å; D489-N526 VanDerWaalsContact CB-ND2 3.34Å; D489-N526 WeakPolarHBondContact CB-ND2 3.09Å; D489-N526 PolarHBondContact OD2-ND2 2.85Å; R490-N526 WeakPolarHBondContact O-CB 3.41Å; R490-N526 PolarHBondContact O-N 2.91Å; S492-N526 PolarHBondContact OG-N 3.28Å; M522-N526 HydrophobicContact CE-CB 4.33Å; M522-N526 VanDerWaalsContact CE-ND2 3.25Å; M522-N526 WeakPolarHBondContact CE-ND2 3.43Å; N526-Y528 VanDerWaalsContact C-N 3.26Å; N526-Y528 HydrophobicContact CB-CD2 3.51Å; N526-Y528 HydrophobicContact CB-CE2 3.39Å; N526-Y528 HydrophobicContact CB-CG 4.15Å; N526-Y528 VanDerWaalsContact ND2-CE2 3.32Å; N526-Y528 WeakPolarHBondContact ND2-CE2 3.33Å; N526-Y528 PolarHBondContact ND2-OH 3.21Å; N526-Y528 PolarHBondContact O-N 3.46Å; N526-Y528 PolarHBondContact OD1-OH 3.44Å
527	A	86.8	Confident	74.6	Confident	14 Å²	14	50.6 Å²	50.6	12%	0.116	28%	0.281	C	S	.	.			trans	47.3	44.7	-172	0	0	0	0	0	113.9	S492 V529 P539 I561	S492-A527 WeakPolarHBondContact OG-CA 3.39Å; S492-A527 PolarHBondContact OG-N 2.83Å; A527-V529 PolarHBondContact O-N 3.44Å; A527-P539 HydrophobicContact CB-CG 4.19Å; A527-I561 HydrophobicContact CB-CD1 3.56Å
528	Y	74.9	Confident	74.2	Confident	72 Å²	72	53.3 Å²	53.3	28%	0.282	30%	0.296	S	S	.	.			trans	-67.5	106.3	170.7	-70	-55.1	0	0	0	109.1	Y184 W290 D489 N526	Y184-Y528 HydrophobicContact CE1-CD2 4.48Å; Y184-Y528 HydrophobicContact CE1-CE2 4.23Å; Y184-Y528 HydrophobicContact CE2-CD2 4.05Å; Y184-Y528 AromaticContact CE2-CE2 3.82Å; Y184-Y528 HydrophobicContact CE2-CE2 3.82Å; Y184-Y528 AromaticContact CZ-CD2 3.61Å; Y184-Y528 AromaticContact CZ-CE2 3.58Å; Y184-Y528 WeakPolarHBondContact OH-CD2 3.36Å; W290-Y528 HydrophobicContact CZ2-CE1 4.07Å; W290-Y528 WeakPolarHBondContact CZ2-OH 3.42Å; W290-Y528 PolarHBondContact NE1-OH 2.81Å; D489-Y528 PolarHBondContact OD2-OH 3.44Å; N526-Y528 VanDerWaalsContact C-N 3.26Å; N526-Y528 HydrophobicContact CB-CD2 3.51Å; N526-Y528 HydrophobicContact CB-CE2 3.39Å; N526-Y528 HydrophobicContact CB-CG 4.15Å; N526-Y528 VanDerWaalsContact ND2-CE2 3.32Å; N526-Y528 WeakPolarHBondContact ND2-CE2 3.33Å; N526-Y528 PolarHBondContact ND2-OH 3.21Å; N526-Y528 PolarHBondContact O-N 3.46Å; N526-Y528 PolarHBondContact OD1-OH 3.44Å
529	V	58.7	Low	74	Confident	46 Å²	46	53.7 Å²	53.7	28%	0.279	30%	0.298	S	S	.	.			trans	-66.5	144.5	-168.8	-166.8	0	0	0	0	111.7	A527 Y531 D535 A537	A527-V529 PolarHBondContact O-N 3.44Å; V529-Y531 PolarHBondContact O-N 3.23Å; V529-Y531 VanDerWaalsContact O-N 3.09Å; V529-D535 WeakPolarHBondContact CG1-O 2.92Å; V529-A537 HydrophobicContact CG1-CB 4.28Å
530	N	47.3	Very low	73.8	Confident	122 Å²	122	57.8 Å²	57.8	65%	0.652	32%	0.32	S	S	*	.			trans	-61.2	107.4	163.5	-165.8	-1.7	0	0	0	108.9	T532	N530-T532 PolarHBondContact O-N 2.96Å; N530-T532 PolarHBondContact OD1-OG1 2.9Å
531	Y	41.8	Very low	73.9	Confident	217 Å²	217	61 Å²	61	85%	0.851	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	6.7	-166.5	-70.7	-84.7	0	0	0	116.8	V529	V529-Y531 PolarHBondContact O-N 3.23Å; V529-Y531 VanDerWaalsContact O-N 3.09Å
532	T	39.9	Very low	74	Confident	121 Å²	121	63 Å²	63	74%	0.742	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-19.7	-173.6	47	0	0	0	0	114.9	N530	N530-T532 PolarHBondContact O-N 2.96Å; N530-T532 PolarHBondContact OD1-OG1 2.9Å
533	S	39.9	Very low	74.2	Confident	75 Å²	75	63.1 Å²	63.1	52%	0.524	34%	0.342	S	S	.	.	S	Bend	trans	-107.5	-10.5	-171.3	56.1	0	0	0	0	116.4	D535	S533-D535 PolarHBondContact O-N 3.07Å
534	G	41	Very low	74.2	Confident	80 Å²	80	63.1 Å²	63.1	83%	0.825	34%	0.342	S	S	*	.			trans	72.4	-27.1	174.7	0	0	0	0	0	116.7
535	D	46.8	Very low	74.3	Confident	129 Å²	129	63.1 Å²	63.1	69%	0.69	34%	0.342	S	S	*	.	S	Bend	trans	-80.2	144.1	177.1	-73	-38	0	0	0	113.3	V529 S533 A537	V529-D535 WeakPolarHBondContact CG1-O 2.92Å; S533-D535 PolarHBondContact O-N 3.07Å; D535-A537 PolarHBondContact O-N 3Å
536	R	59.5	Low	74.5	Confident	128 Å²	128	63.1 Å²	63.1	48%	0.483	34%	0.342	S	S	.	.			trans	-69.9	86.5	175.7	-173	-148.9	-138.4	178.4	12.3	110.2	I292 L538 E565	I292-R536 VanDerWaalsContact CD1-NH2 3.29Å; I292-R536 PolarHBondContact O-NE 3.31Å; I292-R536 PolarHBondContact O-NH2 3.42Å; R536-L538 PolarHBondContact O-N 2.9Å; R536-E565 IonicContact NH1-OE2 2.79Å; R536-E565 PolarHBondContact NH1-OE2 2.71Å
537	A	74.1	Confident	75	Confident	53 Å²	53	63.1 Å²	63.1	44%	0.438	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-68	119.9	176.3	0	0	0	0	0	111.2	V529 D535	V529-A537 HydrophobicContact CG1-CB 4.28Å; D535-A537 PolarHBondContact O-N 3Å
538	L	90	Very high	75.6	Confident	61 Å²	61	62.4 Å²	62.4	32%	0.319	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-66.9	154.1	161.9	-64.4	175.3	0	0	0	109.4	R536 I561 E565 Y566	R536-L538 PolarHBondContact O-N 2.9Å; L538-I561 HydrophobicContact CD2-CG2 3.79Å; L538-E565 HydrophobicContact CD1-CB 4Å; L538-E565 WeakPolarHBondContact CD1-O 3.17Å; L538-E565 HydrophobicContact CD2-CB 4.01Å; L538-Y566 HydrophobicContact CB-CE1 3.99Å; L538-Y566 HydrophobicContact CD1-CD1 4.06Å; L538-Y566 HydrophobicContact CD1-CE1 4.05Å; L538-Y566 HydrophobicContact CD1-CG 4.35Å
539	P	92.5	Very high	76.7	Confident	10 Å²	10	59 Å²	59	7%	0.065	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-51.9	158.4	164.2	-23.1	31.4	0	0	0	111.3	G524 A527 R541 I561 Y566	G524-P539 WeakPolarHBondContact O-CG 3.17Å; A527-P539 HydrophobicContact CB-CG 4.19Å; P539-R541 PolarHBondContact O-N 2.92Å; P539-I561 HydrophobicContact CG-CD1 3.56Å; P539-Y566 VanDerWaalsContact CD-OH 3.3Å; P539-Y566 WeakPolarHBondContact CD-OH 3.25Å; P539-Y566 WeakPolarHBondContact O-CE1 3.33Å; P539-Y566 PolarHBondContact O-OH 2.96Å
540	D	94.6	Very high	78.6	Confident	85 Å²	85	56.8 Å²	56.8	46%	0.455	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-54.9	140.3	168.3	170.2	-105.5	0	0	0	110.9	E542 L543 Y544	D540-E542 WeakPolarHBondContact OD1-CB 3.36Å; D540-E542 PolarHBondContact OD1-N 3.28Å; D540-E542 VanDerWaalsContact OD1-N 3.14Å; D540-L543 HydrophobicContact CB-CB 3.96Å; D540-L543 WeakPolarHBondContact O-CB 3.48Å; D540-L543 PolarHBondContact O-N 3.13Å; D540-L543 PolarHBondContact OD1-N 2.93Å; D540-Y544 PolarHBondContact O-N 2.97Å
541	R	96.7	Very high	81	Confident	67 Å²	67	51 Å²	51	25%	0.253	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-41.8	-172.5	-174.6	-170.7	-174.1	-100.6	10.3	111.8	P539 Y544 I545 Y566 D567 E569 V570	P539-R541 PolarHBondContact O-N 2.92Å; R541-Y544 PolarHBondContact O-N 2.71Å; R541-I545 HydrophobicContact CG-CD1 4.18Å; R541-I545 WeakPolarHBondContact O-CG1 3.23Å; R541-I545 PolarHBondContact O-N 3.33Å; R541-I545 VanDerWaalsContact O-N 3.07Å; R541-Y566 HydrophobicContact CB-CD1 4.28Å; R541-Y566 HydrophobicContact CB-CE1 4.31Å; R541-Y566 HydrophobicContact CG-CD1 4.17Å; R541-D567 IonicContact CZ-OD1 2.96Å; R541-D567 IonicContact CZ-OD2 3.89Å; R541-D567 VanDerWaalsContact CZ-OD2 3.28Å; R541-D567 IonicContact NE-OD1 3.04Å; R541-D567 IonicContact NE-OD2 3.99Å; R541-D567 PolarHBondContact NE-OD2 3.46Å; R541-D567 VanDerWaalsContact NH2-CG 3.27Å; R541-D567 IonicContact NH2-OD1 2.82Å; R541-D567 PolarHBondContact NH2-OD1 3.48Å; R541-D567 IonicContact NH2-OD2 2.92Å; R541-D567 PolarHBondContact NH2-OD2 2.96Å; R541-E569 IonicContact CZ-OE2 3.61Å; R541-E569 IonicContact NH1-OE1 2.76Å; R541-E569 PolarHBondContact NH1-OE1 3.1Å; R541-E569 IonicContact NH1-OE2 3.28Å; R541-E569 IonicContact NH2-OE1 2.9Å; R541-E569 IonicContact NH2-OE2 3.41Å; R541-E569 PolarHBondContact NH2-OE2 2.8Å; R541-V570 HydrophobicContact CG-CG2 3.99Å
542	E	98.1	Very high	83.7	Confident	43 Å²	43	40.7 Å²	40.7	20%	0.201	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-45.7	177	-172.5	-170.5	-179.7	0	0	110	W494 D540 Y544 I545 R546 G639 L675	W494-E542 HydrophobicContact CH2-CG 4.07Å; W494-E542 HydrophobicContact CZ2-CB 4.27Å; W494-E542 HydrophobicContact CZ2-CG 4.06Å; D540-E542 WeakPolarHBondContact OD1-CB 3.36Å; D540-E542 PolarHBondContact OD1-N 3.28Å; D540-E542 VanDerWaalsContact OD1-N 3.14Å; E542-Y544 VanDerWaalsContact C-N 3.31Å; E542-Y544 PolarHBondContact O-N 3.45Å; E542-I545 PolarHBondContact O-N 3.43Å; E542-R546 HydrophobicContact CG-CG 4.28Å; E542-R546 WeakPolarHBondContact O-CG 3.08Å; E542-R546 PolarHBondContact O-N 3.47Å; E542-G639 WeakPolarHBondContact OE1-CA 3.32Å; E542-G639 PolarHBondContact OE1-N 3.28Å; E542-G639 PolarHBondContact OE2-N 3.42Å; E542-L675 HydrophobicContact CG-CD1 4.09Å
543	L	97.9	Very high	86.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-54.5	-46.5	174.5	177.3	69	0	0	0	111.5	S492 W494 L500 D540 R546 W547	S492-L543 WeakPolarHBondContact O-CD2 3.33Å; W494-L543 HydrophobicContact CD2-CD1 3.63Å; W494-L543 HydrophobicContact CE3-CD1 4.05Å; W494-L543 HydrophobicContact CG-CD1 3.89Å; W494-L543 HydrophobicContact CZ2-CB 3.88Å; W494-L543 HydrophobicContact CZ2-CD1 4.28Å; L500-L543 HydrophobicContact CB-CD1 3.93Å; L500-L543 HydrophobicContact CD2-CD1 3.9Å; D540-L543 HydrophobicContact CB-CB 3.96Å; D540-L543 WeakPolarHBondContact O-CB 3.48Å; D540-L543 PolarHBondContact O-N 3.13Å; D540-L543 PolarHBondContact OD1-N 2.93Å; L543-R546 PolarHBondContact O-N 2.88Å; L543-W547 HydrophobicContact CD1-CE3 3.92Å; L543-W547 HydrophobicContact CD1-CZ3 4.27Å; L543-W547 HydrophobicContact CG-CE3 4.13Å; L543-W547 VanDerWaalsContact O-CB 3.23Å; L543-W547 WeakPolarHBondContact O-CB 3.36Å; L543-W547 PolarHBondContact O-N 2.91Å
544	Y	98.4	Very high	89.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-44.7	178.2	-177.3	-89	0	0	0	112	I523 D540 R541 E542 W547 L548 F559 I561 P563 Y566 V570	I523-Y544 HydrophobicContact CG2-CD2 4.28Å; I523-Y544 HydrophobicContact CG2-CE1 4.44Å; I523-Y544 HydrophobicContact CG2-CE2 3.89Å; D540-Y544 PolarHBondContact O-N 2.97Å; R541-Y544 PolarHBondContact O-N 2.71Å; E542-Y544 VanDerWaalsContact C-N 3.31Å; E542-Y544 PolarHBondContact O-N 3.45Å; Y544-W547 PolarHBondContact O-N 3.32Å; Y544-L548 WeakPolarHBondContact O-CB 3.37Å; Y544-L548 PolarHBondContact O-N 3.48Å; Y544-F559 WeakPolarHBondContact OH-CD1 3.47Å; Y544-F559 WeakPolarHBondContact OH-CE1 3.48Å; Y544-I561 HydrophobicContact CE2-CB 4.14Å; Y544-I561 HydrophobicContact CE2-CG2 4.21Å; Y544-I561 WeakPolarHBondContact CE2-O 3.31Å; Y544-I561 PolarHBondContact OH-O 2.96Å; Y544-P563 HydrophobicContact CE1-CB 4.36Å; Y544-Y566 WeakPolarHBondContact CB-OH 3.37Å; Y544-Y566 HydrophobicContact CD1-CD2 4.3Å; Y544-Y566 AromaticContact CD1-CE2 3.77Å; Y544-Y566 HydrophobicContact CD1-CE2 3.77Å; Y544-Y566 AromaticContact CD2-CE2 3.69Å; Y544-Y566 HydrophobicContact CD2-CE2 3.69Å; Y544-Y566 AromaticContact CD2-CZ 3.93Å; Y544-Y566 WeakPolarHBondContact CD2-OH 3.41Å; Y544-Y566 HydrophobicContact CE1-CD2 4.37Å; Y544-Y566 HydrophobicContact CE1-CE2 4Å; Y544-Y566 AromaticContact CE2-CE2 3.91Å; Y544-Y566 HydrophobicContact CE2-CE2 3.91Å; Y544-Y566 AromaticContact CG-CE2 3.6Å; Y544-Y566 HydrophobicContact CG-CE2 3.6Å; Y544-Y566 AromaticContact CG-CZ 3.75Å; Y544-V570 HydrophobicContact CD1-CG1 3.77Å; Y544-V570 HydrophobicContact CE1-CG1 3.62Å
545	I	98.8	Very high	92	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-51.7	177	-69.1	163.7	0	0	0	110.9	R541 E542 W547 L548 E549 V570 I573 L675	R541-I545 HydrophobicContact CG-CD1 4.18Å; R541-I545 WeakPolarHBondContact O-CG1 3.23Å; R541-I545 PolarHBondContact O-N 3.33Å; R541-I545 VanDerWaalsContact O-N 3.07Å; E542-I545 PolarHBondContact O-N 3.43Å; I545-W547 PolarHBondContact O-N 2.78Å; I545-L548 WeakPolarHBondContact O-CB 3.43Å; I545-L548 PolarHBondContact O-N 3.35Å; I545-L548 VanDerWaalsContact O-N 3.13Å; I545-E549 HydrophobicContact CG2-CG 4.4Å; I545-E549 WeakPolarHBondContact CG2-OE1 3.26Å; I545-E549 WeakPolarHBondContact O-CG 3.3Å; I545-E549 PolarHBondContact O-N 2.69Å; I545-V570 HydrophobicContact CD1-CG2 4.22Å; I545-V570 HydrophobicContact CG1-CG2 4.39Å; I545-I573 HydrophobicContact CD1-CD1 3.84Å; I545-I573 HydrophobicContact CG1-CD1 4.16Å; I545-I573 HydrophobicContact CG2-CD1 4.32Å; I545-I573 HydrophobicContact CG2-CG2 4.09Å; I545-L675 HydrophobicContact CB-CD1 4.1Å; I545-L675 HydrophobicContact CD1-CD1 4.16Å; I545-L675 HydrophobicContact CD1-CD2 4.09Å; I545-L675 HydrophobicContact CD1-CG 4.25Å; I545-L675 HydrophobicContact CG2-CD1 3.59Å; I545-L675 HydrophobicContact CG2-CG 4.2Å
546	R	98.6	Very high	94.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-29.4	179.5	-63.1	-48.4	-165.8	178.1	5.4	112.8	W494 L500 E542 L543 E549 L550 K640 V673 D674 E677	W494-R546 HydrophobicContact CH2-CB 3.97Å; W494-R546 HydrophobicContact CH2-CG 3.69Å; W494-R546 HydrophobicContact CZ3-CB 4.05Å; W494-R546 HydrophobicContact CZ3-CG 4.1Å; L500-R546 HydrophobicContact CD2-CB 3.95Å; E542-R546 HydrophobicContact CG-CG 4.28Å; E542-R546 WeakPolarHBondContact O-CG 3.08Å; E542-R546 PolarHBondContact O-N 3.47Å; L543-R546 PolarHBondContact O-N 2.88Å; R546-E549 WeakPolarHBondContact CD-OE2 3.24Å; R546-E549 IonicContact CZ-OE1 3.73Å; R546-E549 IonicContact CZ-OE2 2.8Å; R546-E549 IonicContact NE-OE2 3.48Å; R546-E549 VanDerWaalsContact NH1-CD 3.32Å; R546-E549 IonicContact NH1-OE1 3.92Å; R546-E549 PolarHBondContact NH1-OE1 2.94Å; R546-E549 IonicContact NH1-OE2 3.71Å; R546-E549 PolarHBondContact NH1-OE2 3.25Å; R546-L550 PolarHBondContact O-N 2.63Å; R546-K640 PolarHBondContact NH2-O 3.03Å; R546-V673 PolarHBondContact NH2-O 3.09Å; R546-D674 PolarHBondContact NH1-O 2.74Å; R546-D674 PolarHBondContact NH2-O 3.23Å; R546-E677 PolarHBondContact NH1-O 2.95Å
547	W	98.6	Very high	96.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-72.1	-41.6	173	-153.7	-47.3	0	0	0	112.2	R490 D491 L500 G524 L543 Y544 I545 L550 S551	R490-W547 HydrophobicContact CB-CH2 3.93Å; R490-W547 HydrophobicContact CB-CZ2 3.76Å; R490-W547 HydrophobicContact CG-CZ2 4.5Å; D491-W547 VanDerWaalsContact O-CH2 3.3Å; D491-W547 WeakPolarHBondContact O-CH2 3.37Å; D491-W547 WeakPolarHBondContact O-CZ3 3.44Å; L500-W547 HydrophobicContact CB-CD2 4.42Å; L500-W547 HydrophobicContact CB-CE3 3.9Å; L500-W547 HydrophobicContact CB-CZ3 4.04Å; L500-W547 HydrophobicContact CD1-CB 4.02Å; L500-W547 HydrophobicContact CD1-CD2 3.85Å; L500-W547 HydrophobicContact CD1-CE3 4.16Å; L500-W547 HydrophobicContact CD1-CG 3.79Å; L500-W547 HydrophobicContact CG-CE3 4.47Å; G524-W547 VanDerWaalsContact N-CG 3.3Å; L543-W547 HydrophobicContact CD1-CE3 3.92Å; L543-W547 HydrophobicContact CD1-CZ3 4.27Å; L543-W547 HydrophobicContact CG-CE3 4.13Å; L543-W547 VanDerWaalsContact O-CB 3.23Å; L543-W547 WeakPolarHBondContact O-CB 3.36Å; L543-W547 PolarHBondContact O-N 2.91Å; Y544-W547 PolarHBondContact O-N 3.32Å; I545-W547 PolarHBondContact O-N 2.78Å; W547-L550 PolarHBondContact O-N 2.85Å; W547-S551 WeakPolarHBondContact O-CB 3.19Å; W547-S551 PolarHBondContact O-N 3.07Å; W547-S551 PolarHBondContact O-OG 3.36Å
548	L	98.8	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.4	-47.4	173.6	162.7	64.6	0	0	0	111.4	I523 Y544 I545 L550 S551 A552 M557 F559 I573 A574	I523-L548 HydrophobicContact CD1-CD1 4.08Å; I523-L548 HydrophobicContact CG2-CB 3.76Å; Y544-L548 WeakPolarHBondContact O-CB 3.37Å; Y544-L548 PolarHBondContact O-N 3.48Å; I545-L548 WeakPolarHBondContact O-CB 3.43Å; I545-L548 PolarHBondContact O-N 3.35Å; I545-L548 VanDerWaalsContact O-N 3.13Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 2.85Å; L548-S551 PolarHBondContact O-N 2.81Å; L548-A552 WeakPolarHBondContact O-CB 3.47Å; L548-A552 PolarHBondContact O-N 3.37Å; L548-M557 HydrophobicContact CD1-CE 3.62Å; L548-F559 HydrophobicContact CD1-CE1 3.99Å; L548-F559 HydrophobicContact CD1-CZ 3.74Å; L548-I573 HydrophobicContact CD2-CG2 3.85Å; L548-A574 HydrophobicContact CD2-CB 3.83Å
549	E	98.6	Very high	97.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-53.4	-48.1	174.8	-73.9	171.4	-175.2	0	0	111.3	I545 R546 Y577 D676 I678	I545-E549 HydrophobicContact CG2-CG 4.4Å; I545-E549 WeakPolarHBondContact CG2-OE1 3.26Å; I545-E549 WeakPolarHBondContact O-CG 3.3Å; I545-E549 PolarHBondContact O-N 2.69Å; R546-E549 WeakPolarHBondContact CD-OE2 3.24Å; R546-E549 IonicContact CZ-OE1 3.73Å; R546-E549 IonicContact CZ-OE2 2.8Å; R546-E549 IonicContact NE-OE2 3.48Å; R546-E549 VanDerWaalsContact NH1-CD 3.32Å; R546-E549 IonicContact NH1-OE1 3.92Å; R546-E549 PolarHBondContact NH1-OE1 2.94Å; R546-E549 IonicContact NH1-OE2 3.71Å; R546-E549 PolarHBondContact NH1-OE2 3.25Å; E549-Y577 HydrophobicContact CB-CE1 4.44Å; E549-Y577 HydrophobicContact CG-CD2 4.17Å; E549-Y577 HydrophobicContact CG-CE1 4.18Å; E549-Y577 HydrophobicContact CG-CE2 3.61Å; E549-D676 WeakPolarHBondContact OE1-CA 3.46Å; E549-D676 PolarHBondContact OE1-N 2.98Å; E549-D676 VanDerWaalsContact OE1-N 3.08Å; E549-I678 HydrophobicContact CB-CB 4.34Å; E549-I678 HydrophobicContact CB-CD1 4.32Å; E549-I678 WeakPolarHBondContact O-CD1 3.48Å
550	L	98.8	Very high	98	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.8	-48.5	177.3	177.3	51.3	0	0	0	112.6	L500 L503 I504 R546 W547 L548 A552 F553 M554 F624 P634 L636	L500-L550 HydrophobicContact CD1-CD2 3.77Å; L503-L550 HydrophobicContact CB-CD2 4.18Å; L503-L550 HydrophobicContact CD2-CD2 3.84Å; L503-L550 HydrophobicContact CD2-CG 4.18Å; L503-L550 HydrophobicContact CG-CD2 4.22Å; I504-L550 HydrophobicContact CD1-CD1 4.07Å; I504-L550 HydrophobicContact CD1-CD2 4.34Å; I504-L550 HydrophobicContact CG1-CD1 4Å; I504-L550 HydrophobicContact CG1-CD2 4.13Å; R546-L550 PolarHBondContact O-N 2.63Å; W547-L550 PolarHBondContact O-N 2.85Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 2.85Å; L550-A552 PolarHBondContact O-N 3.02Å; L550-F553 PolarHBondContact O-N 2.83Å; L550-M554 HydrophobicContact CD1-CE 3.46Å; L550-M554 VanDerWaalsContact CD1-CE 3.46Å; L550-M554 HydrophobicContact CG-CE 4.03Å; L550-F624 HydrophobicContact CD1-CE1 3.49Å; L550-F624 VanDerWaalsContact CD1-CE1 3.49Å; L550-F624 HydrophobicContact CD1-CZ 3.97Å; L550-P634 HydrophobicContact CB-CB 4.33Å; L550-P634 HydrophobicContact CD1-CB 4.33Å; L550-P634 HydrophobicContact CD1-CG 3.95Å; L550-P634 HydrophobicContact CD2-CG 4.44Å; L550-L636 HydrophobicContact CD2-CD2 4.11Å
551	S	98.4	Very high	98.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.2	-27.6	-178.8	-73.1	0	0	0	0	113.1	W547 L548 F553 M554	W547-S551 WeakPolarHBondContact O-CB 3.19Å; W547-S551 PolarHBondContact O-N 3.07Å; W547-S551 PolarHBondContact O-OG 3.36Å; L548-S551 PolarHBondContact O-N 2.81Å; S551-F553 PolarHBondContact O-N 2.75Å; S551-M554 WeakPolarHBondContact O-CB 3.45Å; S551-M554 PolarHBondContact O-N 2.74Å; S551-M554 VanDerWaalsContact O-N 3.13Å
552	A	98.6	Very high	98.1	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.8	173.5	0	0	0	0	0	113.5	L548 L550 M557 Y577 H581 V585	L548-A552 WeakPolarHBondContact O-CB 3.47Å; L548-A552 PolarHBondContact O-N 3.37Å; L550-A552 PolarHBondContact O-N 3.02Å; A552-M557 HydrophobicContact CB-CE 3.98Å; A552-M557 HydrophobicContact CB-SD 4.26Å; A552-Y577 HydrophobicContact CB-CD1 3.72Å; A552-Y577 HydrophobicContact CB-CG 4.24Å; A552-H581 HydrophobicContact CB-CB 4.37Å; A552-H581 WeakPolarHBondContact O-CB 3.13Å; A552-H581 PolarHBondContact O-ND1 3.04Å; A552-V585 WeakPolarHBondContact O-CG2 3.5Å
553	F	98.7	Very high	98.1	Very high	0 Å²	0	0.3 Å²	0.3	0%	0	0%	0.002	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	15.6	175.9	-74.5	-99	0	0	0	113.4	L550 S551 Y577 I580 V585 F624 I626 V632 I678 Y680	L550-F553 PolarHBondContact O-N 2.83Å; S551-F553 PolarHBondContact O-N 2.75Å; F553-Y577 HydrophobicContact CE2-CE1 4.34Å; F553-I580 HydrophobicContact CE2-CG2 3.75Å; F553-I580 HydrophobicContact CZ-CG2 3.66Å; F553-V585 HydrophobicContact CD1-CG2 3.63Å; F553-V585 HydrophobicContact CE1-CG2 3.88Å; F553-V585 HydrophobicContact CG-CG2 4.05Å; F553-V585 HydrophobicContact CZ-CG2 4.45Å; F553-F624 HydrophobicContact CB-CE2 4.3Å; F553-F624 HydrophobicContact CB-CZ 3.81Å; F553-F624 VanDerWaalsContact O-CE2 3.32Å; F553-F624 WeakPolarHBondContact O-CE2 3.47Å; F553-I626 HydrophobicContact CB-CD1 4.32Å; F553-I626 HydrophobicContact CD1-CD1 4.28Å; F553-I626 WeakPolarHBondContact O-CD1 3.3Å; F553-V632 HydrophobicContact CB-CG1 3.93Å; F553-V632 HydrophobicContact CB-CG2 4.1Å; F553-V632 HydrophobicContact CD1-CB 4.46Å; F553-V632 HydrophobicContact CD1-CG1 4.04Å; F553-V632 HydrophobicContact CD1-CG2 3.5Å; F553-V632 VanDerWaalsContact CD1-CG2 3.5Å; F553-V632 HydrophobicContact CD2-CG1 4.48Å; F553-V632 HydrophobicContact CE1-CG2 4.26Å; F553-V632 HydrophobicContact CG-CG1 3.89Å; F553-V632 HydrophobicContact CG-CG2 4.06Å; F553-I678 HydrophobicContact CD2-CD1 4.05Å; F553-I678 HydrophobicContact CD2-CG2 4.05Å; F553-I678 HydrophobicContact CE2-CD1 4.48Å; F553-I678 HydrophobicContact CE2-CG2 3.41Å; F553-I678 VanDerWaalsContact CE2-CG2 3.41Å; F553-I678 HydrophobicContact CZ-CG2 4.02Å; F553-Y680 AromaticContact CE1-CD1 3.88Å; F553-Y680 HydrophobicContact CE1-CD1 3.88Å; F553-Y680 HydrophobicContact CE1-CD2 4.42Å; F553-Y680 HydrophobicContact CE1-CE1 4.46Å; F553-Y680 AromaticContact CE1-CG 3.85Å; F553-Y680 HydrophobicContact CE1-CG 3.85Å; F553-Y680 HydrophobicContact CE2-CD1 4.5Å; F553-Y680 AromaticContact CZ-CD1 3.51Å; F553-Y680 HydrophobicContact CZ-CD1 3.51Å; F553-Y680 AromaticContact CZ-CE1 3.88Å; F553-Y680 HydrophobicContact CZ-CE1 3.88Å; F553-Y680 AromaticContact CZ-CG 3.99Å; F553-Y680 HydrophobicContact CZ-CG 3.99Å
554	M	98.3	Very high	98	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.006	C	C	.	.	S	Bend	trans	-99.6	168.4	172.8	-66.6	-68.6	164.6	0	0	111.1	I504 V507 P520 L550 S551 S556 H581 F624	I504-M554 HydrophobicContact CG1-CE 4.18Å; V507-M554 HydrophobicContact CB-SD 4.3Å; V507-M554 HydrophobicContact CG1-SD 3.88Å; V507-M554 HydrophobicContact CG2-CE 4.37Å; V507-M554 HydrophobicContact CG2-SD 3.91Å; P520-M554 HydrophobicContact CB-CB 4.08Å; P520-M554 HydrophobicContact CB-CG 3.83Å; P520-M554 HydrophobicContact CG-CB 3.66Å; P520-M554 HydrophobicContact CG-CG 3.9Å; L550-M554 HydrophobicContact CD1-CE 3.46Å; L550-M554 VanDerWaalsContact CD1-CE 3.46Å; L550-M554 HydrophobicContact CG-CE 4.03Å; S551-M554 WeakPolarHBondContact O-CB 3.45Å; S551-M554 PolarHBondContact O-N 2.74Å; S551-M554 VanDerWaalsContact O-N 3.13Å; M554-S556 PolarHBondContact O-N 2.87Å; M554-S556 VanDerWaalsContact O-N 3.1Å; M554-H581 PolarHBondContact O-CE1 3.13Å; M554-H581 VanDerWaalsContact O-CE1 3.26Å; M554-F624 HydrophobicContact CE-CD1 4.39Å; M554-F624 HydrophobicContact CE-CE1 3.82Å; M554-F624 HydrophobicContact CE-CE2 4.34Å; M554-F624 HydrophobicContact CE-CZ 3.77Å
555	P	98.3	Very high	97.9	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.006	2%	0.021	C	C	.	.	S	Bend	trans	-66.6	-11.2	-176.5	-23	35.1	0	0	0	115.7	F282 F484 I518 V589 I603 I604	F282-P555 VanDerWaalsContact CD1-O 3.25Å; F282-P555 WeakPolarHBondContact CD1-O 3.4Å; F484-P555 HydrophobicContact CE1-CB 4.29Å; I518-P555 HydrophobicContact CB-CG 4.43Å; P555-V589 HydrophobicContact CB-CG1 3.87Å; P555-I603 HydrophobicContact CG-CG2 4.48Å; P555-I604 HydrophobicContact CG-CD1 4.06Å; P555-I604 HydrophobicContact CG-CG1 3.76Å
556	S	98.1	Very high	97.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.029	C	C	.	.			trans	-160.7	155.8	173.7	-174.7	0	0	0	0	109.8	M281 F484 P520 M554	M281-S556 VanDerWaalsContact O-CB 3.28Å; M281-S556 WeakPolarHBondContact O-CB 3.48Å; M281-S556 PolarHBondContact O-OG 2.8Å; F484-S556 VanDerWaalsContact CE1-CB 3.43Å; P520-S556 WeakPolarHBondContact CD-O 3.39Å; P520-S556 WeakPolarHBondContact CG-O 3.39Å; M554-S556 PolarHBondContact O-N 2.87Å; M554-S556 VanDerWaalsContact O-N 3.1Å
557	M	98.4	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.			trans	-111.1	142.5	175	-62.3	179.1	79.4	0	0	110.5	P285 I286 I523 L548 A552 F559 T578 H581	P285-M557 CarbonylContact C-O 3.58Å; P285-M557 WeakPolarHBondContact CA-O 3.41Å; P285-M557 HydrophobicContact CB-CB 3.99Å; I286-M557 PolarHBondContact N-O 3.12Å; I523-M557 HydrophobicContact CD1-CB 4.43Å; I523-M557 HydrophobicContact CD1-CE 3.9Å; L548-M557 HydrophobicContact CD1-CE 3.62Å; A552-M557 HydrophobicContact CB-CE 3.98Å; A552-M557 HydrophobicContact CB-SD 4.26Å; M557-F559 HydrophobicContact CE-CZ 4.37Å; M557-T578 HydrophobicContact CE-CG2 4.07Å; M557-T578 HydrophobicContact SD-CG2 4.16Å; M557-H581 HydrophobicContact SD-CB 3.61Å; M557-H581 VanDerWaalsContact SD-CG 3.55Å
558	Q	98.3	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	115.6	169.8	-176.1	175.7	62.4	0	0	110	I286 E320 E471 L519 M522 I523	I286-Q558 HydrophobicContact CB-CB 4.22Å; I286-Q558 HydrophobicContact CB-CG 4.09Å; I286-Q558 HydrophobicContact CG2-CG 4.25Å; I286-Q558 CarbonylContact O-C 3.57Å; I286-Q558 WeakPolarHBondContact O-CA 3.39Å; E320-Q558 PolarHBondContact OE2-NE2 2.83Å; E471-Q558 PolarHBondContact OE2-NE2 3.29Å; L519-Q558 HydrophobicContact CD1-CB 4.03Å; M522-Q558 WeakPolarHBondContact CA-O 3.17Å; M522-Q558 HydrophobicContact CG-CG 4.23Å; I523-Q558 WeakPolarHBondContact CG1-O 3.33Å; I523-Q558 PolarHBondContact N-O 3.45Å
559	F	98.3	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.2	163.9	-71.3	-73.8	0	0	0	108.9	P285 I286 W287 S288 I523 Y544 L548 M557 A574 T578	P285-F559 HydrophobicContact CB-CD2 3.66Å; P285-F559 HydrophobicContact CB-CE2 3.88Å; P285-F559 HydrophobicContact CG-CD2 4.09Å; P285-F559 HydrophobicContact CG-CE2 4.02Å; I286-F559 PolarHBondContact O-N 3.41Å; W287-F559 HydrophobicContact CD2-CB 4.12Å; W287-F559 HydrophobicContact CD2-CD2 4.28Å; W287-F559 AromaticContact CE2-CD2 3.93Å; W287-F559 HydrophobicContact CE3-CB 3.63Å; W287-F559 HydrophobicContact CE3-CD2 4.26Å; W287-F559 HydrophobicContact CE3-CG 4.2Å; W287-F559 HydrophobicContact CH2-CB 4.23Å; W287-F559 AromaticContact CH2-CD2 3.52Å; W287-F559 HydrophobicContact CH2-CD2 3.52Å; W287-F559 HydrophobicContact CH2-CE2 4.01Å; W287-F559 AromaticContact CH2-CG 3.88Å; W287-F559 HydrophobicContact CH2-CG 3.88Å; W287-F559 AromaticContact CZ2-CD2 3.53Å; W287-F559 HydrophobicContact CZ2-CD2 3.53Å; W287-F559 AromaticContact CZ2-CE2 3.97Å; W287-F559 HydrophobicContact CZ2-CE2 3.97Å; W287-F559 HydrophobicContact CZ2-CG 4.3Å; W287-F559 HydrophobicContact CZ3-CB 3.69Å; W287-F559 AromaticContact CZ3-CD2 3.9Å; W287-F559 HydrophobicContact CZ3-CD2 3.9Å; W287-F559 AromaticContact CZ3-CG 3.83Å; W287-F559 HydrophobicContact CZ3-CG 3.83Å; S288-F559 PolarHBondContact N-O 2.91Å; I523-F559 HydrophobicContact CB-CD1 4.28Å; I523-F559 HydrophobicContact CB-CE1 4.48Å; I523-F559 HydrophobicContact CD1-CD1 3.8Å; I523-F559 HydrophobicContact CD1-CD2 4.41Å; I523-F559 HydrophobicContact CD1-CE1 3.6Å; I523-F559 HydrophobicContact CD1-CE2 4.23Å; I523-F559 HydrophobicContact CD1-CG 4.21Å; I523-F559 HydrophobicContact CD1-CZ 3.83Å; I523-F559 HydrophobicContact CG2-CD1 4.42Å; I523-F559 HydrophobicContact CG2-CE1 4.26Å; Y544-F559 WeakPolarHBondContact OH-CD1 3.47Å; Y544-F559 WeakPolarHBondContact OH-CE1 3.48Å; L548-F559 HydrophobicContact CD1-CE1 3.99Å; L548-F559 HydrophobicContact CD1-CZ 3.74Å; M557-F559 HydrophobicContact CE-CZ 4.37Å; F559-A574 HydrophobicContact CZ-CB 4.2Å; F559-T578 HydrophobicContact CE2-CG2 3.86Å; F559-T578 HydrophobicContact CZ-CG2 4.24Å
560	S	95.5	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-132.2	-44	160.4	-170	0	0	0	0	111.4	S288 W290 A291 I292 Y305 M522 P562	S288-S560 WeakPolarHBondContact O-CA 3.02Å; S288-S560 WeakPolarHBondContact O-CB 3.43Å; S288-S560 PolarHBondContact O-OG 2.85Å; W290-S560 PolarHBondContact N-OG 2.6Å; A291-S560 WeakPolarHBondContact CB-OG 3.5Å; A291-S560 PolarHBondContact N-OG 2.76Å; I292-S560 WeakPolarHBondContact CB-O 3.35Å; I292-S560 WeakPolarHBondContact CG2-O 3.4Å; Y305-S560 PolarHBondContact OH-O 3Å; M522-S560 VanDerWaalsContact SD-CB 3.53Å; S560-P562 WeakPolarHBondContact O-CD 3.5Å
561	I	95.6	Very high	97.6	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	10%	0.102	C	C	.	.	S	Bend	trans	-80.7	113.5	158.3	-56.2	178.7	0	0	0	106.9	A291 A527 L538 P539 Y544 Y566	A291-I561 HydrophobicContact CB-CD1 4.27Å; A291-I561 HydrophobicContact CB-CG1 3.75Å; A527-I561 HydrophobicContact CB-CD1 3.56Å; L538-I561 HydrophobicContact CD2-CG2 3.79Å; P539-I561 HydrophobicContact CG-CD1 3.56Å; Y544-I561 HydrophobicContact CE2-CB 4.14Å; Y544-I561 HydrophobicContact CE2-CG2 4.21Å; Y544-I561 WeakPolarHBondContact CE2-O 3.31Å; Y544-I561 PolarHBondContact OH-O 2.96Å; I561-Y566 HydrophobicContact CG2-CE2 4.14Å
562	P	96.8	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.			trans	-82.1	152.5	-177.5	35.8	-34.8	0	0	0	110.5	W287 Y305 S560 W564 E565	W287-P562 HydrophobicContact CZ3-CB 3.84Å; Y305-P562 HydrophobicContact CE2-CB 4.29Å; Y305-P562 HydrophobicContact CE2-CG 3.96Å; S560-P562 WeakPolarHBondContact O-CD 3.5Å; P562-W564 HydrophobicContact CB-CD2 3.76Å; P562-W564 HydrophobicContact CB-CE3 3.98Å; P562-W564 HydrophobicContact CB-CG 4.48Å; P562-W564 HydrophobicContact CB-CH2 3.5Å; P562-W564 HydrophobicContact CB-CZ2 3.26Å; P562-W564 HydrophobicContact CB-CZ3 3.86Å; P562-W564 HydrophobicContact CG-CD2 4.13Å; P562-W564 VanDerWaalsContact CG-CE2 3.44Å; P562-W564 HydrophobicContact CG-CH2 4.32Å; P562-W564 HydrophobicContact CG-CZ2 3.58Å; P562-W564 PolarHBondContact O-N 3.32Å; P562-W564 VanDerWaalsContact O-N 3.14Å; P562-E565 HydrophobicContact CG-CG 3.82Å; P562-E565 PolarHBondContact O-N 3.48Å
563	P	97.9	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-65.1	-24.1	-170.8	25.2	-35.4	0	0	0	113.6	F314 Y544 E565 Y566 V570 V571 A574	F314-P563 HydrophobicContact CE2-CG 3.82Å; F314-P563 HydrophobicContact CZ-CG 3.65Å; Y544-P563 HydrophobicContact CE1-CB 4.36Å; P563-E565 VanDerWaalsContact C-N 3.26Å; P563-E565 PolarHBondContact O-N 2.72Å; P563-Y566 PolarHBondContact O-N 2.74Å; P563-V570 HydrophobicContact CB-CG1 3.85Å; P563-V571 HydrophobicContact CB-CG2 4.21Å; P563-V571 HydrophobicContact CG-CG2 4.42Å; P563-A574 HydrophobicContact CB-CB 3.72Å; P563-A574 HydrophobicContact CG-CB 3.71Å
564	W	97.4	Very high	97.6	Very high	27 Å²	27	25.7 Å²	25.7	10%	0.102	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-75.9	-2.5	-179.9	60.7	70.9	0	0	0	115.2	W287 Y305 N308 I309 Y312 F314 P562 Y566 V571	W287-W564 HydrophobicContact CE3-CH2 4.04Å; W287-W564 HydrophobicContact CH2-CH2 4.06Å; W287-W564 AromaticContact CH2-CZ3 3.74Å; W287-W564 HydrophobicContact CH2-CZ3 3.74Å; W287-W564 AromaticContact CZ3-CH2 3.47Å; W287-W564 HydrophobicContact CZ3-CH2 3.47Å; W287-W564 VanDerWaalsContact CZ3-CH2 3.47Å; W287-W564 AromaticContact CZ3-CZ3 3.6Å; W287-W564 HydrophobicContact CZ3-CZ3 3.6Å; Y305-W564 HydrophobicContact CD2-CZ2 4.24Å; Y305-W564 HydrophobicContact CE2-CZ2 4.21Å; N308-W564 HydrophobicContact CB-CH2 4.25Å; N308-W564 HydrophobicContact CB-CZ2 3.69Å; I309-W564 HydrophobicContact CB-CH2 4.48Å; I309-W564 HydrophobicContact CG1-CH2 3.66Å; I309-W564 HydrophobicContact CG1-CZ3 4.39Å; Y312-W564 HydrophobicContact CD1-CB 4.21Å; Y312-W564 HydrophobicContact CD2-CB 3.88Å; Y312-W564 AromaticContact CD2-CD2 3.45Å; Y312-W564 HydrophobicContact CD2-CD2 3.45Å; Y312-W564 VanDerWaalsContact CD2-CD2 3.45Å; Y312-W564 AromaticContact CD2-CE3 3.36Å; Y312-W564 HydrophobicContact CD2-CE3 3.36Å; Y312-W564 AromaticContact CD2-CG 3.7Å; Y312-W564 HydrophobicContact CD2-CG 3.7Å; Y312-W564 HydrophobicContact CD2-CZ3 4.14Å; Y312-W564 HydrophobicContact CE1-CB 3.86Å; Y312-W564 HydrophobicContact CE2-CB 3.54Å; Y312-W564 AromaticContact CE2-CD2 3.67Å; Y312-W564 HydrophobicContact CE2-CD2 3.67Å; Y312-W564 HydrophobicContact CE2-CE3 4.08Å; Y312-W564 AromaticContact CE2-CG 3.43Å; Y312-W564 HydrophobicContact CE2-CG 3.43Å; Y312-W564 VanDerWaalsContact CE2-CG 3.43Å; Y312-W564 HydrophobicContact CG-CB 4.23Å; Y312-W564 HydrophobicContact CG-CD2 4.24Å; Y312-W564 AromaticContact CG-CE3 3.8Å; Y312-W564 HydrophobicContact CG-CE3 3.8Å; Y312-W564 HydrophobicContact CG-CG 4.45Å; Y312-W564 AromaticContact CZ-CG 3.95Å; F314-W564 HydrophobicContact CD2-CE3 4.43Å; F314-W564 AromaticContact CD2-CZ3 3.99Å; F314-W564 HydrophobicContact CD2-CZ3 3.99Å; F314-W564 HydrophobicContact CE2-CE3 4.23Å; F314-W564 HydrophobicContact CE2-CZ3 4.2Å; P562-W564 HydrophobicContact CB-CD2 3.76Å; P562-W564 HydrophobicContact CB-CE3 3.98Å; P562-W564 HydrophobicContact CB-CG 4.48Å; P562-W564 HydrophobicContact CB-CH2 3.5Å; P562-W564 HydrophobicContact CB-CZ2 3.26Å; P562-W564 HydrophobicContact CB-CZ3 3.86Å; P562-W564 HydrophobicContact CG-CD2 4.13Å; P562-W564 VanDerWaalsContact CG-CE2 3.44Å; P562-W564 HydrophobicContact CG-CH2 4.32Å; P562-W564 HydrophobicContact CG-CZ2 3.58Å; P562-W564 PolarHBondContact O-N 3.32Å; P562-W564 VanDerWaalsContact O-N 3.14Å; W564-Y566 VanDerWaalsContact C-N 3.25Å; W564-V571 HydrophobicContact CB-CG2 3.85Å
565	E	96	Very high	97.7	Very high	67 Å²	67	30 Å²	30	31%	0.313	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-76.7	-15.3	167.5	-55.8	-71.1	116.5	0	0	112	I292 R536 L538 P562 P563	I292-E565 HydrophobicContact CD1-CG 3.78Å; R536-E565 IonicContact NH1-OE2 2.79Å; R536-E565 PolarHBondContact NH1-OE2 2.71Å; L538-E565 HydrophobicContact CD1-CB 4Å; L538-E565 WeakPolarHBondContact CD1-O 3.17Å; L538-E565 HydrophobicContact CD2-CB 4.01Å; P562-E565 HydrophobicContact CG-CG 3.82Å; P562-E565 PolarHBondContact O-N 3.48Å; P563-E565 VanDerWaalsContact C-N 3.26Å; P563-E565 PolarHBondContact O-N 2.72Å
566	Y	96.1	Very high	97.7	Very high	43 Å²	43	33.7 Å²	33.7	17%	0.169	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-88.3	175.9	-64	-89.9	0	0	0	111	L538 P539 R541 Y544 I561 P563 W564 V570	L538-Y566 HydrophobicContact CB-CE1 3.99Å; L538-Y566 HydrophobicContact CD1-CD1 4.06Å; L538-Y566 HydrophobicContact CD1-CE1 4.05Å; L538-Y566 HydrophobicContact CD1-CG 4.35Å; P539-Y566 VanDerWaalsContact CD-OH 3.3Å; P539-Y566 WeakPolarHBondContact CD-OH 3.25Å; P539-Y566 WeakPolarHBondContact O-CE1 3.33Å; P539-Y566 PolarHBondContact O-OH 2.96Å; R541-Y566 HydrophobicContact CB-CD1 4.28Å; R541-Y566 HydrophobicContact CB-CE1 4.31Å; R541-Y566 HydrophobicContact CG-CD1 4.17Å; Y544-Y566 WeakPolarHBondContact CB-OH 3.37Å; Y544-Y566 HydrophobicContact CD1-CD2 4.3Å; Y544-Y566 AromaticContact CD1-CE2 3.77Å; Y544-Y566 HydrophobicContact CD1-CE2 3.77Å; Y544-Y566 AromaticContact CD2-CE2 3.69Å; Y544-Y566 HydrophobicContact CD2-CE2 3.69Å; Y544-Y566 AromaticContact CD2-CZ 3.93Å; Y544-Y566 WeakPolarHBondContact CD2-OH 3.41Å; Y544-Y566 HydrophobicContact CE1-CD2 4.37Å; Y544-Y566 HydrophobicContact CE1-CE2 4Å; Y544-Y566 AromaticContact CE2-CE2 3.91Å; Y544-Y566 HydrophobicContact CE2-CE2 3.91Å; Y544-Y566 AromaticContact CG-CE2 3.6Å; Y544-Y566 HydrophobicContact CG-CE2 3.6Å; Y544-Y566 AromaticContact CG-CZ 3.75Å; I561-Y566 HydrophobicContact CG2-CE2 4.14Å; P563-Y566 PolarHBondContact O-N 2.74Å; W564-Y566 VanDerWaalsContact C-N 3.25Å; Y566-V570 HydrophobicContact CD2-CG1 3.99Å; Y566-V570 HydrophobicContact CG-CG1 4.32Å; Y566-V570 HydrophobicContact CG-CG2 4.2Å
567	D	96.4	Very high	97.7	Very high	58 Å²	58	33.9 Å²	33.9	31%	0.31	16%	0.157	S	C	.	.			trans	-161.6	175.7	-174.4	59.7	61.9	0	0	0	111.2	R541 E569 V570 V571	R541-D567 IonicContact CZ-OD1 2.96Å; R541-D567 IonicContact CZ-OD2 3.89Å; R541-D567 VanDerWaalsContact CZ-OD2 3.28Å; R541-D567 IonicContact NE-OD1 3.04Å; R541-D567 IonicContact NE-OD2 3.99Å; R541-D567 PolarHBondContact NE-OD2 3.46Å; R541-D567 VanDerWaalsContact NH2-CG 3.27Å; R541-D567 IonicContact NH2-OD1 2.82Å; R541-D567 PolarHBondContact NH2-OD1 3.48Å; R541-D567 IonicContact NH2-OD2 2.92Å; R541-D567 PolarHBondContact NH2-OD2 2.96Å; D567-E569 VanDerWaalsContact C-N 3.31Å; D567-E569 PolarHBondContact O-N 3.42Å; D567-E569 WeakPolarHBondContact OD1-CA 3.34Å; D567-E569 WeakPolarHBondContact OD1-CB 3.49Å; D567-E569 PolarHBondContact OD1-N 2.95Å; D567-V570 PolarHBondContact O-N 2.8Å; D567-V570 PolarHBondContact OD1-N 2.71Å; D567-V571 WeakPolarHBondContact O-CG2 3.35Å; D567-V571 PolarHBondContact O-N 2.94Å
568	N	97.9	Very high	97.7	Very high	130 Å²	130	34.7 Å²	34.7	70%	0.695	16%	0.162	S	C	*	.	H	α-helix	trans	-66.3	-28.4	-178.1	-71.2	-21.3	0	0	0	113.6	V571 E572	N568-V571 PolarHBondContact O-N 3.24Å; N568-E572 WeakPolarHBondContact O-CG 3.22Å; N568-E572 PolarHBondContact O-N 3.09Å
569	E	98.3	Very high	97.7	Very high	102 Å²	102	37 Å²	37	48%	0.477	18%	0.182	S	C	.	.	H	α-helix	trans	-71.2	-43.8	178.9	177.6	-163.2	156.6	0	0	109.6	R541 D567 V571 E572 I573	R541-E569 IonicContact CZ-OE2 3.61Å; R541-E569 IonicContact NH1-OE1 2.76Å; R541-E569 PolarHBondContact NH1-OE1 3.1Å; R541-E569 IonicContact NH1-OE2 3.28Å; R541-E569 IonicContact NH2-OE1 2.9Å; R541-E569 IonicContact NH2-OE2 3.41Å; R541-E569 PolarHBondContact NH2-OE2 2.8Å; D567-E569 VanDerWaalsContact C-N 3.31Å; D567-E569 PolarHBondContact O-N 3.42Å; D567-E569 WeakPolarHBondContact OD1-CA 3.34Å; D567-E569 WeakPolarHBondContact OD1-CB 3.49Å; D567-E569 PolarHBondContact OD1-N 2.95Å; E569-V571 PolarHBondContact O-N 3.17Å; E569-E572 PolarHBondContact O-N 3.28Å; E569-E572 VanDerWaalsContact O-N 3.09Å; E569-I573 HydrophobicContact CG-CD1 4.01Å; E569-I573 VanDerWaalsContact O-CG1 3.23Å; E569-I573 WeakPolarHBondContact O-CG1 3.4Å; E569-I573 PolarHBondContact O-N 2.81Å
570	V	98.5	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-35.5	172.6	-177.9	0	0	0	0	111.8	R541 Y544 I545 P563 Y566 D567 A574	R541-V570 HydrophobicContact CG-CG2 3.99Å; Y544-V570 HydrophobicContact CD1-CG1 3.77Å; Y544-V570 HydrophobicContact CE1-CG1 3.62Å; I545-V570 HydrophobicContact CD1-CG2 4.22Å; I545-V570 HydrophobicContact CG1-CG2 4.39Å; P563-V570 HydrophobicContact CB-CG1 3.85Å; Y566-V570 HydrophobicContact CD2-CG1 3.99Å; Y566-V570 HydrophobicContact CG-CG1 4.32Å; Y566-V570 HydrophobicContact CG-CG2 4.2Å; D567-V570 PolarHBondContact O-N 2.8Å; D567-V570 PolarHBondContact OD1-N 2.71Å; V570-A574 VanDerWaalsContact O-CB 3.28Å; V570-A574 WeakPolarHBondContact O-CB 3.28Å; V570-A574 PolarHBondContact O-N 3.21Å
571	V	98.7	Very high	97.8	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-47.8	172	172	0	0	0	0	111.5	Y312 F314 P563 W564 D567 N568 E569 A574 R575	Y312-V571 HydrophobicContact CD1-CG1 4.1Å; Y312-V571 HydrophobicContact CD1-CG2 4.32Å; F314-V571 HydrophobicContact CE2-CG1 4.21Å; F314-V571 HydrophobicContact CZ-CG1 4.31Å; P563-V571 HydrophobicContact CB-CG2 4.21Å; P563-V571 HydrophobicContact CG-CG2 4.42Å; W564-V571 HydrophobicContact CB-CG2 3.85Å; D567-V571 WeakPolarHBondContact O-CG2 3.35Å; D567-V571 PolarHBondContact O-N 2.94Å; N568-V571 PolarHBondContact O-N 3.24Å; E569-V571 PolarHBondContact O-N 3.17Å; V571-A574 PolarHBondContact O-N 2.96Å; V571-R575 HydrophobicContact CG1-CG 4.47Å; V571-R575 WeakPolarHBondContact O-CG 3.43Å; V571-R575 PolarHBondContact O-N 2.58Å
572	E	98.6	Very high	98	Very high	96 Å²	96	41.7 Å²	41.7	45%	0.449	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-43.5	179.3	-71.6	-57.5	111.5	0	0	112.7	N568 E569 A574 R575 K576	N568-E572 WeakPolarHBondContact O-CG 3.22Å; N568-E572 PolarHBondContact O-N 3.09Å; E569-E572 PolarHBondContact O-N 3.28Å; E569-E572 VanDerWaalsContact O-N 3.09Å; E572-A574 VanDerWaalsContact C-N 3.34Å; E572-A574 PolarHBondContact O-N 2.91Å; E572-R575 PolarHBondContact O-N 3.15Å; E572-R575 IonicContact OE1-CZ 2.97Å; E572-R575 IonicContact OE1-NE 3.87Å; E572-R575 PolarHBondContact OE1-NE 3.21Å; E572-R575 IonicContact OE1-NH2 3.04Å; E572-R575 PolarHBondContact OE1-NH2 3.1Å; E572-R575 IonicContact OE2-CZ 2.65Å; E572-R575 IonicContact OE2-NE 3.96Å; E572-R575 IonicContact OE2-NH2 3.83Å; E572-R575 PolarHBondContact OE2-NH2 3.03Å; E572-K576 WeakPolarHBondContact O-CB 3.32Å; E572-K576 PolarHBondContact O-N 3.49Å
573	I	98.7	Very high	98	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-47.8	172	-65.3	173.3	0	0	0	109.8	I545 L548 E569 R575 K576 Y577 D676	I545-I573 HydrophobicContact CD1-CD1 3.84Å; I545-I573 HydrophobicContact CG1-CD1 4.16Å; I545-I573 HydrophobicContact CG2-CD1 4.32Å; I545-I573 HydrophobicContact CG2-CG2 4.09Å; L548-I573 HydrophobicContact CD2-CG2 3.85Å; E569-I573 HydrophobicContact CG-CD1 4.01Å; E569-I573 VanDerWaalsContact O-CG1 3.23Å; E569-I573 WeakPolarHBondContact O-CG1 3.4Å; E569-I573 PolarHBondContact O-N 2.81Å; I573-R575 PolarHBondContact O-N 3.31Å; I573-K576 WeakPolarHBondContact O-CB 3.47Å; I573-K576 PolarHBondContact O-N 3.41Å; I573-Y577 HydrophobicContact CG2-CD2 3.79Å; I573-Y577 HydrophobicContact CG2-CE2 4.08Å; I573-Y577 WeakPolarHBondContact O-CD2 3.36Å; I573-Y577 PolarHBondContact O-N 2.97Å; I573-D676 HydrophobicContact CD1-CB 4.04Å; I573-D676 HydrophobicContact CG1-CB 3.88Å
574	A	98.8	Very high	97.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.9	0	0	0	0	0	113.2	F314 L548 F559 P563 V570 V571 E572 Y577 T578	F314-A574 HydrophobicContact CE1-CB 3.84Å; F314-A574 HydrophobicContact CZ-CB 3.72Å; L548-A574 HydrophobicContact CD2-CB 3.83Å; F559-A574 HydrophobicContact CZ-CB 4.2Å; P563-A574 HydrophobicContact CB-CB 3.72Å; P563-A574 HydrophobicContact CG-CB 3.71Å; V570-A574 VanDerWaalsContact O-CB 3.28Å; V570-A574 WeakPolarHBondContact O-CB 3.28Å; V570-A574 PolarHBondContact O-N 3.21Å; V571-A574 PolarHBondContact O-N 2.96Å; E572-A574 VanDerWaalsContact C-N 3.34Å; E572-A574 PolarHBondContact O-N 2.91Å; A574-Y577 PolarHBondContact O-N 3.18Å; A574-T578 WeakPolarHBondContact O-CG2 3.25Å; A574-T578 PolarHBondContact O-N 3.37Å; A574-T578 PolarHBondContact O-OG1 3.34Å
575	R	98.6	Very high	98	Very high	90 Å²	90	46.9 Å²	46.9	34%	0.34	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-46.3	174.5	-65.7	-165.6	-43.1	133.9	9.1	110.9	F314 V571 E572 I573 Y577 T578 A579	F314-R575 HydrophobicContact CD1-CG 4.4Å; F314-R575 HydrophobicContact CE1-CB 4.39Å; F314-R575 HydrophobicContact CE1-CG 3.7Å; F314-R575 HydrophobicContact CE2-CG 4.31Å; F314-R575 HydrophobicContact CZ-CG 3.63Å; V571-R575 HydrophobicContact CG1-CG 4.47Å; V571-R575 WeakPolarHBondContact O-CG 3.43Å; V571-R575 PolarHBondContact O-N 2.58Å; E572-R575 PolarHBondContact O-N 3.15Å; E572-R575 IonicContact OE1-CZ 2.97Å; E572-R575 IonicContact OE1-NE 3.87Å; E572-R575 PolarHBondContact OE1-NE 3.21Å; E572-R575 IonicContact OE1-NH2 3.04Å; E572-R575 PolarHBondContact OE1-NH2 3.1Å; E572-R575 IonicContact OE2-CZ 2.65Å; E572-R575 IonicContact OE2-NE 3.96Å; E572-R575 IonicContact OE2-NH2 3.83Å; E572-R575 PolarHBondContact OE2-NH2 3.03Å; I573-R575 PolarHBondContact O-N 3.31Å; R575-Y577 PolarHBondContact O-N 2.59Å; R575-T578 PolarHBondContact O-N 2.85Å; R575-T578 PolarHBondContact O-OG1 2.57Å; R575-A579 WeakPolarHBondContact O-CB 3.36Å; R575-A579 PolarHBondContact O-N 3.4Å
576	K	98.3	Very high	98.1	Very high	79 Å²	79	43.7 Å²	43.7	34%	0.343	23%	0.225	S	C	.	.	H	α-helix	trans	-55.4	-50	175	-175.2	-160.8	-172.4	178.1	0	111.5	E572 I573 A579 I580 D676	E572-K576 WeakPolarHBondContact O-CB 3.32Å; E572-K576 PolarHBondContact O-N 3.49Å; I573-K576 WeakPolarHBondContact O-CB 3.47Å; I573-K576 PolarHBondContact O-N 3.41Å; K576-A579 PolarHBondContact O-N 3.17Å; K576-I580 HydrophobicContact CD-CD1 4.46Å; K576-I580 HydrophobicContact CG-CD1 4Å; K576-I580 WeakPolarHBondContact O-CG1 3.29Å; K576-I580 PolarHBondContact O-N 3.04Å; K576-D676 WeakPolarHBondContact CD-OD1 3.21Å; K576-D676 WeakPolarHBondContact CD-OD2 3.47Å; K576-D676 PolarHBondContact NZ-O 2.8Å; K576-D676 IonicContact NZ-OD1 2.71Å; K576-D676 PolarHBondContact NZ-OD1 2.79Å; K576-D676 IonicContact NZ-OD2 2.72Å; K576-D676 PolarHBondContact NZ-OD2 2.81Å
577	Y	98.6	Very high	98.2	Very high	4 Å²	4	45 Å²	45	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-72.1	-34.7	-177	-84.4	-69	0	0	0	114.3	E549 A552 F553 I573 A574 R575 A579 I580 H581 D676 E677 I678	E549-Y577 HydrophobicContact CB-CE1 4.44Å; E549-Y577 HydrophobicContact CG-CD2 4.17Å; E549-Y577 HydrophobicContact CG-CE1 4.18Å; E549-Y577 HydrophobicContact CG-CE2 3.61Å; A552-Y577 HydrophobicContact CB-CD1 3.72Å; A552-Y577 HydrophobicContact CB-CG 4.24Å; F553-Y577 HydrophobicContact CE2-CE1 4.34Å; I573-Y577 HydrophobicContact CG2-CD2 3.79Å; I573-Y577 HydrophobicContact CG2-CE2 4.08Å; I573-Y577 WeakPolarHBondContact O-CD2 3.36Å; I573-Y577 PolarHBondContact O-N 2.97Å; A574-Y577 PolarHBondContact O-N 3.18Å; R575-Y577 PolarHBondContact O-N 2.59Å; Y577-A579 VanDerWaalsContact C-N 3.34Å; Y577-I580 HydrophobicContact CD1-CD1 4.14Å; Y577-I580 HydrophobicContact CE1-CD1 3.97Å; Y577-I580 PolarHBondContact O-N 2.89Å; Y577-H581 WeakPolarHBondContact O-CB 3.42Å; Y577-H581 PolarHBondContact O-N 2.88Å; Y577-D676 WeakPolarHBondContact CE2-O 3.11Å; Y577-D676 WeakPolarHBondContact CE2-OD1 3.4Å; Y577-D676 PolarHBondContact OH-O 2.7Å; Y577-E677 VanDerWaalsContact OH-C 3.29Å; Y577-E677 WeakPolarHBondContact OH-CA 3.33Å; Y577-I678 HydrophobicContact CE1-CB 4.5Å; Y577-I678 HydrophobicContact CE1-CG2 3.59Å; Y577-I678 PolarHBondContact OH-N 2.94Å
578	T	98.5	Very high	98.3	Very high	16 Å²	16	44.3 Å²	44.3	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-36.8	169.5	54.3	0	0	0	0	112.3	P285 F314 M557 F559 A574 R575 H581 E582	P285-T578 HydrophobicContact CG-CG2 4.05Å; F314-T578 HydrophobicContact CD1-CG2 4.28Å; F314-T578 HydrophobicContact CE1-CG2 4.38Å; M557-T578 HydrophobicContact CE-CG2 4.07Å; M557-T578 HydrophobicContact SD-CG2 4.16Å; F559-T578 HydrophobicContact CE2-CG2 3.86Å; F559-T578 HydrophobicContact CZ-CG2 4.24Å; A574-T578 WeakPolarHBondContact O-CG2 3.25Å; A574-T578 PolarHBondContact O-N 3.37Å; A574-T578 PolarHBondContact O-OG1 3.34Å; R575-T578 PolarHBondContact O-N 2.85Å; R575-T578 PolarHBondContact O-OG1 2.57Å; T578-H581 PolarHBondContact O-N 3.08Å; T578-E582 WeakPolarHBondContact O-CB 3.13Å; T578-E582 PolarHBondContact O-N 3.37Å
579	A	98.4	Very high	98.3	Very high	50 Å²	50	38.1 Å²	38.1	41%	0.413	20%	0.199	S	C	.	.	H	α-helix	trans	-70.3	-38.3	174.9	0	0	0	0	0	112.9	R575 K576 Y577 S583	R575-A579 WeakPolarHBondContact O-CB 3.36Å; R575-A579 PolarHBondContact O-N 3.4Å; K576-A579 PolarHBondContact O-N 3.17Å; Y577-A579 VanDerWaalsContact C-N 3.34Å; A579-S583 VanDerWaalsContact O-CB 3.29Å; A579-S583 WeakPolarHBondContact O-CB 2.94Å; A579-S583 PolarHBondContact O-N 2.86Å; A579-S583 PolarHBondContact O-OG 3.09Å
580	I	97.9	Very high	98.3	Very high	28 Å²	28	34.9 Å²	34.9	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-46	171.7	-74.3	168.6	0	0	0	110.3	F553 K576 Y577 S583 I584	F553-I580 HydrophobicContact CE2-CG2 3.75Å; F553-I580 HydrophobicContact CZ-CG2 3.66Å; K576-I580 HydrophobicContact CD-CD1 4.46Å; K576-I580 HydrophobicContact CG-CD1 4Å; K576-I580 WeakPolarHBondContact O-CG1 3.29Å; K576-I580 PolarHBondContact O-N 3.04Å; Y577-I580 HydrophobicContact CD1-CD1 4.14Å; Y577-I580 HydrophobicContact CE1-CD1 3.97Å; Y577-I580 PolarHBondContact O-N 2.89Å; I580-S583 PolarHBondContact O-N 2.88Å; I580-I584 HydrophobicContact CG2-CD1 4.4Å; I580-I584 WeakPolarHBondContact O-CB 3.2Å; I580-I584 PolarHBondContact O-N 3.39Å
581	H	98.8	Very high	98.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.21	C	C	.	.	I	π-helix	trans	-57.4	-53.6	176.2	-179.5	75.4	0	0	0	110.9	F282 A552 M554 M557 Y577 T578 S583 V585 A586	F282-H581 PolarHBondContact O-NE2 2.9Å; F282-H581 VanDerWaalsContact O-NE2 3.08Å; A552-H581 HydrophobicContact CB-CB 4.37Å; A552-H581 WeakPolarHBondContact O-CB 3.13Å; A552-H581 PolarHBondContact O-ND1 3.04Å; M554-H581 PolarHBondContact O-CE1 3.13Å; M554-H581 VanDerWaalsContact O-CE1 3.26Å; M557-H581 HydrophobicContact SD-CB 3.61Å; M557-H581 VanDerWaalsContact SD-CG 3.55Å; Y577-H581 WeakPolarHBondContact O-CB 3.42Å; Y577-H581 PolarHBondContact O-N 2.88Å; T578-H581 PolarHBondContact O-N 3.08Å; H581-S583 PolarHBondContact O-N 2.97Å; H581-V585 PolarHBondContact O-N 3.19Å; H581-V585 VanDerWaalsContact O-N 3.12Å; H581-A586 WeakPolarHBondContact O-CB 3.24Å; H581-A586 PolarHBondContact O-N 3.29Å
582	E	98.6	Very high	98.3	Very high	71 Å²	71	40 Å²	40	33%	0.332	21%	0.207	S	C	.	.	I	π-helix	trans	-61.6	-39	-178.9	-173	176.1	152.3	0	0	113.4	H284 N315 T578	H284-E582 VanDerWaalsContact CE1-CD 3.41Å; H284-E582 IonicContact CE1-OE1 2.69Å; H284-E582 IonicContact CE1-OE2 2.99Å; H284-E582 PolarHBondContact CE1-OE2 2.81Å; H284-E582 IonicContact ND1-OE2 2.65Å; H284-E582 PolarHBondContact ND1-OE2 2.71Å; N315-E582 PolarHBondContact ND2-OE2 3.08Å; T578-E582 WeakPolarHBondContact O-CB 3.13Å; T578-E582 PolarHBondContact O-N 3.37Å
583	S	97.5	Very high	98.3	Very high	82 Å²	82	35.4 Å²	35.4	57%	0.573	19%	0.186	S	C	*	.	I	π-helix	trans	-93.5	-26.6	-172.2	62.4	0	0	0	0	115.6	A579 I580 H581	A579-S583 VanDerWaalsContact O-CB 3.29Å; A579-S583 WeakPolarHBondContact O-CB 2.94Å; A579-S583 PolarHBondContact O-N 2.86Å; A579-S583 PolarHBondContact O-OG 3.09Å; I580-S583 PolarHBondContact O-N 2.88Å; H581-S583 PolarHBondContact O-N 2.97Å
584	I	96.4	Very high	98.2	Very high	54 Å²	54	36.6 Å²	36.6	28%	0.277	20%	0.2	S	C	.	.	I	π-helix	trans	-114.6	-48.1	-175.2	-59.8	178.3	0	0	0	111.2	I580 L630	I580-I584 HydrophobicContact CG2-CD1 4.4Å; I580-I584 WeakPolarHBondContact O-CB 3.2Å; I580-I584 PolarHBondContact O-N 3.39Å; I584-L630 HydrophobicContact CG2-CD2 4.37Å
585	V	98.5	Very high	98.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-85.3	-51	-169.3	178.3	0	0	0	0	111.3	A552 F553 H581 P587 R588 V589 I626	A552-V585 WeakPolarHBondContact O-CG2 3.5Å; F553-V585 HydrophobicContact CD1-CG2 3.63Å; F553-V585 HydrophobicContact CE1-CG2 3.88Å; F553-V585 HydrophobicContact CG-CG2 4.05Å; F553-V585 HydrophobicContact CZ-CG2 4.45Å; H581-V585 PolarHBondContact O-N 3.19Å; H581-V585 VanDerWaalsContact O-N 3.12Å; V585-P587 VanDerWaalsContact C-CD 3.49Å; V585-R588 PolarHBondContact O-N 3.3Å; V585-V589 HydrophobicContact CG1-CG2 3.81Å; V585-V589 WeakPolarHBondContact O-CB 3.48Å; V585-V589 WeakPolarHBondContact O-CG2 3.42Å; V585-V589 PolarHBondContact O-N 2.9Å; V585-I626 HydrophobicContact CG1-CD1 3.84Å; V585-I626 HydrophobicContact CG2-CD1 4.45Å
586	A	98.6	Very high	98.1	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-53.5	-45.7	-178.3	0	0	0	0	0	113.5	F282 E283 H581 R588 V589 L590	F282-A586 WeakPolarHBondContact O-CB 3.27Å; E283-A586 HydrophobicContact CB-CB 4.43Å; E283-A586 HydrophobicContact CG-CB 4.16Å; H581-A586 WeakPolarHBondContact O-CB 3.24Å; H581-A586 PolarHBondContact O-N 3.29Å; A586-R588 PolarHBondContact O-N 2.87Å; A586-V589 PolarHBondContact O-N 3.08Å; A586-L590 VanDerWaalsContact O-CB 3.28Å; A586-L590 WeakPolarHBondContact O-CB 3.41Å; A586-L590 WeakPolarHBondContact O-CD1 3.25Å; A586-L590 WeakPolarHBondContact O-CG 3.28Å; A586-L590 PolarHBondContact O-N 2.89Å
587	P	98.1	Very high	98	Very high	70 Å²	70	34.8 Å²	34.8	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-43	-179.7	-22.3	35.5	0	0	0	112.4	V585 L590 E591	V585-P587 VanDerWaalsContact C-CD 3.49Å; P587-L590 PolarHBondContact O-N 3.24Å; P587-E591 PolarHBondContact O-N 2.87Å; P587-E591 VanDerWaalsContact O-N 3.11Å
588	R	97.9	Very high	97.9	Very high	43 Å²	43	41 Å²	41	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-41.3	-179.8	-172.1	58.8	177.4	129.8	5.9	111.8	V585 A586 L590 E591 L592 E595 I626 D629	V585-R588 PolarHBondContact O-N 3.3Å; A586-R588 PolarHBondContact O-N 2.87Å; R588-L590 VanDerWaalsContact C-N 3.32Å; R588-L590 PolarHBondContact O-N 3.5Å; R588-E591 WeakPolarHBondContact CD-OE2 3.4Å; R588-E591 IonicContact CZ-OE2 3.22Å; R588-E591 IonicContact NE-OE2 3.24Å; R588-E591 IonicContact NH1-OE1 2.91Å; R588-E591 IonicContact NH1-OE2 2.72Å; R588-E591 PolarHBondContact NH1-OE2 3.35Å; R588-E591 PolarHBondContact O-N 3.07Å; R588-L592 HydrophobicContact CG-CD1 4.08Å; R588-L592 WeakPolarHBondContact O-CB 3.45Å; R588-L592 WeakPolarHBondContact O-CD1 3.2Å; R588-L592 VanDerWaalsContact O-CG 3.23Å; R588-L592 WeakPolarHBondContact O-CG 3.24Å; R588-L592 PolarHBondContact O-N 2.64Å; R588-E595 IonicContact NH1-OE1 3.76Å; R588-I626 HydrophobicContact CG-CG2 4.49Å; R588-D629 IonicContact CZ-OD1 3.86Å; R588-D629 VanDerWaalsContact CZ-OD1 3.3Å; R588-D629 IonicContact CZ-OD2 2.77Å; R588-D629 IonicContact NE-OD1 3.71Å; R588-D629 PolarHBondContact NE-OD1 2.67Å; R588-D629 IonicContact NE-OD2 2.67Å; R588-D629 PolarHBondContact NE-OD2 3.21Å; R588-D629 IonicContact NH2-OD1 3.79Å; R588-D629 PolarHBondContact NH2-OD1 3.38Å; R588-D629 IonicContact NH2-OD2 2.71Å
589	V	98.4	Very high	97.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-40.1	174.4	169.2	0	0	0	0	111.4	F282 P555 V585 A586 L592 A593 I603 I626	F282-V589 HydrophobicContact CD1-CG1 3.4Å; F282-V589 VanDerWaalsContact CD1-CG1 3.4Å; F282-V589 HydrophobicContact CE1-CG1 3.85Å; F282-V589 HydrophobicContact CG-CG1 4.42Å; P555-V589 HydrophobicContact CB-CG1 3.87Å; V585-V589 HydrophobicContact CG1-CG2 3.81Å; V585-V589 WeakPolarHBondContact O-CB 3.48Å; V585-V589 WeakPolarHBondContact O-CG2 3.42Å; V585-V589 PolarHBondContact O-N 2.9Å; A586-V589 PolarHBondContact O-N 3.08Å; V589-L592 PolarHBondContact O-N 2.65Å; V589-A593 VanDerWaalsContact O-CB 3.24Å; V589-A593 WeakPolarHBondContact O-CB 3.38Å; V589-A593 PolarHBondContact O-N 3.09Å; V589-I603 HydrophobicContact CB-CG2 4.42Å; V589-I603 HydrophobicContact CG1-CD1 4.39Å; V589-I603 HydrophobicContact CG1-CG2 4.12Å; V589-I603 HydrophobicContact CG2-CG2 4.09Å; V589-I626 HydrophobicContact CG2-CG2 3.73Å
590	L	98.3	Very high	97.7	Very high	34 Å²	34	39.4 Å²	39.4	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-67.8	-38.4	178.2	-77.7	165.3	0	0	0	113.2	K279 F282 E283 A586 P587 R588 A593 G594	K279-L590 HydrophobicContact CB-CD2 4.47Å; K279-L590 HydrophobicContact CD-CD1 4.21Å; K279-L590 HydrophobicContact CG-CD1 3.5Å; K279-L590 HydrophobicContact CG-CD2 3.82Å; K279-L590 HydrophobicContact CG-CG 4.34Å; F282-L590 HydrophobicContact CB-CD1 4.36Å; F282-L590 HydrophobicContact CB-CD2 3.83Å; F282-L590 HydrophobicContact CB-CG 3.86Å; F282-L590 HydrophobicContact CD2-CD2 3.41Å; F282-L590 VanDerWaalsContact CD2-CD2 3.41Å; F282-L590 HydrophobicContact CD2-CG 4.35Å; F282-L590 HydrophobicContact CE2-CD2 4.03Å; F282-L590 HydrophobicContact CG-CD2 3.68Å; F282-L590 HydrophobicContact CG-CG 4.14Å; E283-L590 HydrophobicContact CG-CD1 4.1Å; A586-L590 VanDerWaalsContact O-CB 3.28Å; A586-L590 WeakPolarHBondContact O-CB 3.41Å; A586-L590 WeakPolarHBondContact O-CD1 3.25Å; A586-L590 WeakPolarHBondContact O-CG 3.28Å; A586-L590 PolarHBondContact O-N 2.89Å; P587-L590 PolarHBondContact O-N 3.24Å; R588-L590 VanDerWaalsContact C-N 3.32Å; R588-L590 PolarHBondContact O-N 3.5Å; L590-A593 PolarHBondContact O-N 3.24Å; L590-G594 PolarHBondContact O-N 2.87Å
591	E	98.1	Very high	97.7	Very high	113 Å²	113	38.5 Å²	38.5	53%	0.528	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-53.2	172.3	-177.4	-177.3	-156.6	0	0	110.6	P587 R588 A593 G594 E595	P587-E591 PolarHBondContact O-N 2.87Å; P587-E591 VanDerWaalsContact O-N 3.11Å; R588-E591 WeakPolarHBondContact CD-OE2 3.4Å; R588-E591 IonicContact CZ-OE2 3.22Å; R588-E591 IonicContact NE-OE2 3.24Å; R588-E591 IonicContact NH1-OE1 2.91Å; R588-E591 IonicContact NH1-OE2 2.72Å; R588-E591 PolarHBondContact NH1-OE2 3.35Å; R588-E591 PolarHBondContact O-N 3.07Å; E591-A593 VanDerWaalsContact C-N 3.28Å; E591-A593 PolarHBondContact O-N 3.18Å; E591-G594 WeakPolarHBondContact O-CA 3.09Å; E591-G594 PolarHBondContact O-N 3.43Å; E591-E595 PolarHBondContact O-N 2.89Å
592	L	98.6	Very high	97.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-36.2	177.1	-66.7	165.9	0	0	0	112.2	R588 V589 G594 E595 V596 I603 I626 G627	R588-L592 HydrophobicContact CG-CD1 4.08Å; R588-L592 WeakPolarHBondContact O-CB 3.45Å; R588-L592 WeakPolarHBondContact O-CD1 3.2Å; R588-L592 VanDerWaalsContact O-CG 3.23Å; R588-L592 WeakPolarHBondContact O-CG 3.24Å; R588-L592 PolarHBondContact O-N 2.64Å; V589-L592 PolarHBondContact O-N 2.65Å; L592-G594 PolarHBondContact O-N 3.5Å; L592-E595 WeakPolarHBondContact O-CB 3.38Å; L592-E595 PolarHBondContact O-N 3.42Å; L592-E595 VanDerWaalsContact O-N 3.09Å; L592-V596 VanDerWaalsContact O-CG2 3.29Å; L592-V596 WeakPolarHBondContact O-CG2 3.38Å; L592-V596 PolarHBondContact O-N 3.48Å; L592-I603 HydrophobicContact CB-CG1 4.07Å; L592-I603 HydrophobicContact CB-CG2 4.26Å; L592-I603 HydrophobicContact CD1-CG2 4.05Å; L592-I626 HydrophobicContact CD1-CG2 3.97Å; L592-G627 VanDerWaalsContact CD1-N 3.32Å
593	A	98.3	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-30.7	175.1	0	0	0	0	0	112.6	V276 F282 F517 V589 L590 E591 I603	V276-A593 HydrophobicContact CG1-CB 3.78Å; V276-A593 HydrophobicContact CG2-CB 4.17Å; V276-A593 WeakPolarHBondContact CG2-O 3.33Å; F282-A593 HydrophobicContact CE1-CB 4.33Å; F282-A593 HydrophobicContact CZ-CB 4.19Å; F517-A593 HydrophobicContact CD1-CB 4.47Å; F517-A593 HydrophobicContact CE1-CB 3.78Å; V589-A593 VanDerWaalsContact O-CB 3.24Å; V589-A593 WeakPolarHBondContact O-CB 3.38Å; V589-A593 PolarHBondContact O-N 3.09Å; L590-A593 PolarHBondContact O-N 3.24Å; E591-A593 VanDerWaalsContact C-N 3.28Å; E591-A593 PolarHBondContact O-N 3.18Å; A593-I603 HydrophobicContact CB-CD1 4.01Å
594	G	98	Very high	97.7	Very high	31 Å²	31	31.3 Å²	31.3	32%	0.32	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-49	168.1	0	0	0	0	0	112.2	L590 E591 L592 V596 L597	L590-G594 PolarHBondContact O-N 2.87Å; E591-G594 WeakPolarHBondContact O-CA 3.09Å; E591-G594 PolarHBondContact O-N 3.43Å; L592-G594 PolarHBondContact O-N 3.5Å; G594-V596 PolarHBondContact O-N 3.31Å; G594-L597 WeakPolarHBondContact O-CB 3.43Å; G594-L597 WeakPolarHBondContact O-CG 3.45Å; G594-L597 PolarHBondContact O-N 2.92Å
595	E	97.4	Very high	97.8	Very high	75 Å²	75	28.9 Å²	28.9	35%	0.35	16%	0.158	S	C	.	.	H	α-helix	trans	-58.6	-34.1	178	-62.2	178.3	-155.5	0	0	113.2	R588 E591 L592 L597 D598 T599	R588-E595 IonicContact NH1-OE1 3.76Å; E591-E595 PolarHBondContact O-N 2.89Å; L592-E595 WeakPolarHBondContact O-CB 3.38Å; L592-E595 PolarHBondContact O-N 3.42Å; L592-E595 VanDerWaalsContact O-N 3.09Å; E595-L597 PolarHBondContact O-N 2.73Å; E595-D598 PolarHBondContact O-N 2.68Å; E595-T599 WeakPolarHBondContact O-CB 3.46Å; E595-T599 WeakPolarHBondContact O-CG2 3.42Å; E595-T599 PolarHBondContact O-N 3.34Å; E595-T599 PolarHBondContact O-OG1 2.78Å
596	V	97.3	Very high	97.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-34.3	178.8	163.6	0	0	0	0	112.2	P273 Q516 L592 G594 D598 G600 D601 I603	P273-V596 HydrophobicContact CG-CG1 3.58Å; Q516-V596 HydrophobicContact CB-CG1 3.87Å; Q516-V596 HydrophobicContact CB-CG2 3.89Å; Q516-V596 HydrophobicContact CG-CG1 3.75Å; Q516-V596 HydrophobicContact CG-CG2 3.96Å; L592-V596 VanDerWaalsContact O-CG2 3.29Å; L592-V596 WeakPolarHBondContact O-CG2 3.38Å; L592-V596 PolarHBondContact O-N 3.48Å; G594-V596 PolarHBondContact O-N 3.31Å; V596-D598 VanDerWaalsContact C-N 3.27Å; V596-D598 PolarHBondContact O-N 3.41Å; V596-G600 WeakPolarHBondContact O-CA 3.23Å; V596-G600 PolarHBondContact O-N 3.02Å; V596-D601 WeakPolarHBondContact CG2-O 3.49Å; V596-I603 HydrophobicContact CG2-CD1 4.25Å; V596-I603 HydrophobicContact CG2-CG1 3.78Å
597	L	96.8	Very high	97.8	Very high	55 Å²	55	28.9 Å²	28.9	29%	0.288	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-38.1	-177.3	-53.2	-173.3	0	0	0	111.6	K272 P273 V276 G594 E595	K272-L597 VanDerWaalsContact CD-O 3.24Å; K272-L597 WeakPolarHBondContact CD-O 3.28Å; P273-L597 HydrophobicContact CB-CD2 4.28Å; P273-L597 HydrophobicContact CG-CD2 4.07Å; P273-L597 WeakPolarHBondContact O-CD2 3.33Å; V276-L597 HydrophobicContact CG2-CD1 4.21Å; V276-L597 HydrophobicContact CG2-CD2 4.38Å; V276-L597 HydrophobicContact CG2-CG 4.43Å; G594-L597 WeakPolarHBondContact O-CB 3.43Å; G594-L597 WeakPolarHBondContact O-CG 3.45Å; G594-L597 PolarHBondContact O-N 2.92Å; E595-L597 PolarHBondContact O-N 2.73Å
598	D	95.9	Very high	97.7	Very high	133 Å²	133	25.5 Å²	25.5	71%	0.711	14%	0.136	S	C	*	.	H	α-helix	trans	-92.3	-43.2	179.6	-71	-46.1	0	0	0	112.7	K272 E595 V596	K272-D598 WeakPolarHBondContact CE-O 3.47Å; K272-D598 PolarHBondContact NZ-O 2.85Å; E595-D598 PolarHBondContact O-N 2.68Å; V596-D598 VanDerWaalsContact C-N 3.27Å; V596-D598 PolarHBondContact O-N 3.41Å
599	T	96.2	Very high	97.7	Very high	31 Å²	31	23.9 Å²	23.9	19%	0.19	13%	0.129	C	C	.	.	H	α-helix	trans	-89.1	-42.6	-170.3	64.9	0	0	0	0	113	R267 E595 D601	R267-T599 VanDerWaalsContact CG-O 3.22Å; R267-T599 WeakPolarHBondContact CG-O 3.47Å; E595-T599 WeakPolarHBondContact O-CB 3.46Å; E595-T599 WeakPolarHBondContact O-CG2 3.42Å; E595-T599 PolarHBondContact O-N 3.34Å; E595-T599 PolarHBondContact O-OG1 2.78Å; T599-D601 PolarHBondContact O-N 2.87Å; T599-D601 PolarHBondContact OG1-N 3.29Å
600	G	96.4	Very high	97.7	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	14%	0.142	C	C	.	.			trans	69.4	4.8	-162.1	0	0	0	0	0	114.5	V266 Q516 V596	V266-G600 WeakPolarHBondContact CG1-O 3.23Å; Q516-G600 PolarHBondContact NE2-O 3.37Å; V596-G600 WeakPolarHBondContact O-CA 3.23Å; V596-G600 PolarHBondContact O-N 3.02Å
601	D	97.3	Very high	97.6	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.043	14%	0.139	C	C	.	.			trans	-64.1	141.4	179	-72.2	-6.3	0	0	0	109.5	K263 R267 V596 T599 W609	K263-D601 WeakPolarHBondContact CD-OD2 3.33Å; K263-D601 WeakPolarHBondContact CE-OD2 3.49Å; K263-D601 WeakPolarHBondContact CG-OD1 3.39Å; K263-D601 IonicContact NZ-OD2 2.68Å; K263-D601 PolarHBondContact NZ-OD2 2.97Å; R267-D601 IonicContact CZ-OD1 3.15Å; R267-D601 VanDerWaalsContact CZ-OD1 3.24Å; R267-D601 IonicContact CZ-OD2 2.62Å; R267-D601 IonicContact NH1-OD1 2.83Å; R267-D601 PolarHBondContact NH1-OD1 3.21Å; R267-D601 IonicContact NH1-OD2 3.24Å; R267-D601 IonicContact NH2-OD1 3.78Å; R267-D601 PolarHBondContact NH2-OD1 2.82Å; R267-D601 IonicContact NH2-OD2 2.79Å; R267-D601 PolarHBondContact NH2-OD2 2.78Å; V596-D601 WeakPolarHBondContact CG2-O 3.49Å; T599-D601 PolarHBondContact O-N 2.87Å; T599-D601 PolarHBondContact OG1-N 3.29Å; D601-W609 HydrophobicContact CB-CH2 4.19Å; D601-W609 HydrophobicContact CB-CZ2 4Å
602	P	97.8	Very high	97.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.129	C	C	.	.			trans	-63.6	155.3	-173.3	-25.6	36.4	0	0	0	114.9	Q516 I604 R605 W609	Q516-P602 VanDerWaalsContact OE1-CA 3.31Å; P602-I604 WeakPolarHBondContact CB-O 2.98Å; P602-R605 HydrophobicContact CB-CG 4.41Å; P602-R605 PolarHBondContact O-NE 3.32Å; P602-R605 PolarHBondContact O-NH2 2.8Å; P602-R605 VanDerWaalsContact O-NH2 3.07Å; P602-W609 HydrophobicContact CG-CH2 4.34Å; P602-W609 HydrophobicContact CG-CZ3 4.27Å
603	I	98.6	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-80.7	-55.9	169.5	-61.6	-177.2	0	0	0	109.1	Q516 F517 P555 V589 L592 A593 V596 I626 G627	Q516-I603 HydrophobicContact CB-CD1 4.47Å; Q516-I603 HydrophobicContact CB-CG1 4.29Å; F517-I603 HydrophobicContact CD1-CD1 4.3Å; F517-I603 HydrophobicContact CE1-CD1 4.44Å; P555-I603 HydrophobicContact CG-CG2 4.48Å; V589-I603 HydrophobicContact CB-CG2 4.42Å; V589-I603 HydrophobicContact CG1-CD1 4.39Å; V589-I603 HydrophobicContact CG1-CG2 4.12Å; V589-I603 HydrophobicContact CG2-CG2 4.09Å; L592-I603 HydrophobicContact CB-CG1 4.07Å; L592-I603 HydrophobicContact CB-CG2 4.26Å; L592-I603 HydrophobicContact CD1-CG2 4.05Å; A593-I603 HydrophobicContact CB-CD1 4.01Å; V596-I603 HydrophobicContact CG2-CD1 4.25Å; V596-I603 HydrophobicContact CG2-CG1 3.78Å; I603-I626 HydrophobicContact CG2-CG2 4.39Å; I603-G627 PolarHBondContact O-N 3.13Å
604	I	98.7	Very high	96.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122	173.8	-54	-57.9	0	0	0	108.2	V507 L508 S511 P555 P602 F624 L625 I626	V507-I604 HydrophobicContact CG1-CB 3.91Å; V507-I604 HydrophobicContact CG1-CG1 3.99Å; V507-I604 HydrophobicContact CG1-CG2 3.78Å; L508-I604 HydrophobicContact CD2-CG2 4.16Å; S511-I604 WeakPolarHBondContact CB-O 3.35Å; S511-I604 PolarHBondContact OG-O 3.27Å; P555-I604 HydrophobicContact CG-CD1 4.06Å; P555-I604 HydrophobicContact CG-CG1 3.76Å; P602-I604 WeakPolarHBondContact CB-O 2.98Å; I604-F624 HydrophobicContact CD1-CD2 4.33Å; I604-F624 HydrophobicContact CD1-CE2 4.24Å; I604-F624 HydrophobicContact CG2-CB 4.06Å; I604-F624 HydrophobicContact CG2-CD2 3.69Å; I604-F624 HydrophobicContact CG2-CE2 4.43Å; I604-F624 HydrophobicContact CG2-CG 4.09Å; I604-L625 CarbonylContact C-O 3.54Å; I604-L625 WeakPolarHBondContact CA-O 3.42Å; I604-I626 HydrophobicContact CD1-CD1 4.43Å; I604-I626 HydrophobicContact CD1-CG1 3.91Å; I604-I626 HydrophobicContact CD1-CG2 4.41Å
605	R	98.5	Very high	96.6	Very high	4 Å²	4	30 Å²	30	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.2	-170.7	-35.1	-164.1	172.6	153.7	-3.8	111.8	P602 W609 L625 G627 D628	P602-R605 HydrophobicContact CB-CG 4.41Å; P602-R605 PolarHBondContact O-NE 3.32Å; P602-R605 PolarHBondContact O-NH2 2.8Å; P602-R605 VanDerWaalsContact O-NH2 3.07Å; R605-W609 HydrophobicContact CB-CB 3.98Å; R605-W609 HydrophobicContact CB-CD2 4.34Å; R605-W609 HydrophobicContact CB-CG 3.95Å; R605-W609 VanDerWaalsContact CD-CE2 3.5Å; R605-W609 VanDerWaalsContact CD-NE1 3.25Å; R605-W609 HydrophobicContact CG-CG 4.45Å; R605-L625 HydrophobicContact CB-CB 4.12Å; R605-L625 PolarHBondContact N-O 2.82Å; R605-L625 PolarHBondContact O-N 3.18Å; R605-G627 WeakPolarHBondContact CD-O 3.35Å; R605-G627 WeakPolarHBondContact CG-O 3.5Å; R605-D628 IonicContact CZ-OD1 3.21Å; R605-D628 IonicContact NH1-OD1 3.13Å; R605-D628 PolarHBondContact NH1-OD1 2.68Å; R605-D628 IonicContact NH1-OD2 3.56Å; R605-D628 PolarHBondContact NH1-OD2 3.05Å
606	P	98.4	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.			trans	-73.8	154.5	171.6	31.9	-35.3	0	0	0	110.3	W165 L508 W608 W609	W165-P606 HydrophobicContact CH2-CB 4.47Å; W165-P606 HydrophobicContact CH2-CG 4.42Å; W165-P606 HydrophobicContact CZ2-CB 3.46Å; W165-P606 VanDerWaalsContact CZ2-CB 3.46Å; W165-P606 HydrophobicContact CZ2-CG 3.7Å; L508-P606 HydrophobicContact CD1-CB 4.28Å; L508-P606 HydrophobicContact CD2-CB 4.06Å; P606-W608 HydrophobicContact CB-CD2 4.24Å; P606-W608 HydrophobicContact CB-CG 4.29Å; P606-W608 HydrophobicContact CB-CZ2 4.29Å; P606-W608 HydrophobicContact CG-CD2 3.69Å; P606-W608 HydrophobicContact CG-CE3 4.15Å; P606-W608 HydrophobicContact CG-CG 4.25Å; P606-W608 HydrophobicContact CG-CH2 3.8Å; P606-W608 HydrophobicContact CG-CZ2 3.36Å; P606-W608 HydrophobicContact CG-CZ3 4.17Å; P606-W608 PolarHBondContact O-N 3.31Å; P606-W609 WeakPolarHBondContact O-CB 3.42Å; P606-W609 PolarHBondContact O-N 2.88Å
607	L	98.3	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.9	-26.6	-174.3	-86.4	71.8	0	0	0	114.4	W609 I610 A611 A617 I620 Q623 L625 M631 Y646 P648	L607-W609 PolarHBondContact O-N 3.17Å; L607-W609 VanDerWaalsContact O-N 3.08Å; L607-I610 PolarHBondContact O-N 3.41Å; L607-A611 WeakPolarHBondContact O-CB 3.35Å; L607-A611 PolarHBondContact O-N 3Å; L607-A617 HydrophobicContact CB-CB 4.34Å; L607-I620 HydrophobicContact CD1-CG2 4.32Å; L607-I620 HydrophobicContact CD2-CD1 3.92Å; L607-I620 HydrophobicContact CD2-CG2 4.36Å; L607-Q623 VanDerWaalsContact CD1-C 3.47Å; L607-Q623 HydrophobicContact CD1-CB 3.75Å; L607-Q623 WeakPolarHBondContact CD1-O 3.17Å; L607-Q623 HydrophobicContact CD2-CB 4.23Å; L607-L625 HydrophobicContact CD1-CG 4.46Å; L607-L625 HydrophobicContact CG-CG 4.49Å; L607-M631 HydrophobicContact CD2-CG 4.42Å; L607-M631 HydrophobicContact CD2-SD 3.7Å; L607-M631 HydrophobicContact CG-SD 4.35Å; L607-Y646 HydrophobicContact CD2-CD1 3.72Å; L607-Y646 HydrophobicContact CD2-CE1 4.16Å; L607-P648 HydrophobicContact CD2-CG 4.48Å
608	W	97.6	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-62.4	-12.2	172	60.5	-111.8	0	0	0	113.5	Y155 W165 L199 V258 P606 I610 A611 T612 A617 Y618	Y155-W608 HydrophobicContact CD2-CZ2 4.31Å; Y155-W608 AromaticContact CE1-NE1 3.6Å; Y155-W608 HydrophobicContact CE2-CZ2 4.41Å; Y155-W608 AromaticContact CE2-NE1 3.75Å; Y155-W608 AromaticContact CZ-CD1 3.93Å; Y155-W608 AromaticContact CZ-NE1 3.37Å; W165-W608 AromaticContact CE2-NE1 3.85Å; W165-W608 HydrophobicContact CH2-CZ2 4.27Å; W165-W608 AromaticContact CZ2-CE2 3.88Å; W165-W608 AromaticContact CZ2-CZ2 3.83Å; W165-W608 HydrophobicContact CZ2-CZ2 3.83Å; W165-W608 AromaticContact CZ2-NE1 3.4Å; W165-W608 AromaticContact NE1-NE1 3.76Å; L199-W608 HydrophobicContact CD2-CH2 3.49Å; L199-W608 VanDerWaalsContact CD2-CH2 3.49Å; L199-W608 HydrophobicContact CD2-CZ2 3.87Å; L199-W608 HydrophobicContact CD2-CZ3 4.39Å; V258-W608 HydrophobicContact CB-CD2 4.43Å; V258-W608 HydrophobicContact CB-CE3 3.81Å; V258-W608 HydrophobicContact CB-CZ3 4.01Å; V258-W608 HydrophobicContact CG1-CD2 3.95Å; V258-W608 HydrophobicContact CG1-CE3 3.56Å; V258-W608 HydrophobicContact CG1-CH2 3.76Å; V258-W608 HydrophobicContact CG1-CZ2 4.04Å; V258-W608 HydrophobicContact CG1-CZ3 3.49Å; V258-W608 VanDerWaalsContact CG1-CZ3 3.49Å; P606-W608 HydrophobicContact CB-CD2 4.24Å; P606-W608 HydrophobicContact CB-CG 4.29Å; P606-W608 HydrophobicContact CB-CZ2 4.29Å; P606-W608 HydrophobicContact CG-CD2 3.69Å; P606-W608 HydrophobicContact CG-CE3 4.15Å; P606-W608 HydrophobicContact CG-CG 4.25Å; P606-W608 HydrophobicContact CG-CH2 3.8Å; P606-W608 HydrophobicContact CG-CZ2 3.36Å; P606-W608 HydrophobicContact CG-CZ3 4.17Å; P606-W608 PolarHBondContact O-N 3.31Å; W608-I610 VanDerWaalsContact C-N 3.33Å; W608-I610 PolarHBondContact O-N 3.17Å; W608-A611 CarbonylContact O-C 3.49Å; W608-T612 VanDerWaalsContact O-CA 3.26Å; W608-T612 WeakPolarHBondContact O-CA 3.37Å; W608-T612 WeakPolarHBondContact O-CG2 3.39Å; W608-T612 PolarHBondContact O-N 3.47Å; W608-A617 HydrophobicContact CB-CB 4.2Å; W608-Y618 HydrophobicContact CB-CD1 3.55Å; W608-Y618 HydrophobicContact CB-CE1 3.89Å; W608-Y618 HydrophobicContact CG-CD1 4.02Å
609	W	97.9	Very high	96.7	Very high	8 Å²	8	28.3 Å²	28.3	3%	0.03	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-59.2	-43.4	177.5	-174.6	-93.2	0	0	0	112.6	T259 H262 K263 D601 P602 R605 P606 L607 T612 L625 D628	T259-W609 HydrophobicContact CG2-CD2 3.77Å; T259-W609 HydrophobicContact CG2-CE3 3.92Å; T259-W609 HydrophobicContact CG2-CG 4.37Å; T259-W609 HydrophobicContact CG2-CH2 4.17Å; T259-W609 HydrophobicContact CG2-CZ2 4.05Å; T259-W609 HydrophobicContact CG2-CZ3 4.11Å; T259-W609 VanDerWaalsContact OG1-CA 3.28Å; T259-W609 WeakPolarHBondContact OG1-CA 3.42Å; T259-W609 PolarHBondContact OG1-O 2.91Å; H262-W609 AromaticContact CD2-CZ3 3.59Å; K263-W609 HydrophobicContact CD-CH2 4.49Å; K263-W609 HydrophobicContact CD-CZ2 4.39Å; K263-W609 HydrophobicContact CG-CH2 3.9Å; K263-W609 HydrophobicContact CG-CZ2 4.29Å; D601-W609 HydrophobicContact CB-CH2 4.19Å; D601-W609 HydrophobicContact CB-CZ2 4Å; P602-W609 HydrophobicContact CG-CH2 4.34Å; P602-W609 HydrophobicContact CG-CZ3 4.27Å; R605-W609 HydrophobicContact CB-CB 3.98Å; R605-W609 HydrophobicContact CB-CD2 4.34Å; R605-W609 HydrophobicContact CB-CG 3.95Å; R605-W609 VanDerWaalsContact CD-CE2 3.5Å; R605-W609 VanDerWaalsContact CD-NE1 3.25Å; R605-W609 HydrophobicContact CG-CG 4.45Å; P606-W609 WeakPolarHBondContact O-CB 3.42Å; P606-W609 PolarHBondContact O-N 2.88Å; L607-W609 PolarHBondContact O-N 3.17Å; L607-W609 VanDerWaalsContact O-N 3.08Å; W609-T612 VanDerWaalsContact O-CG2 3.29Å; W609-T612 WeakPolarHBondContact O-CG2 3.38Å; W609-L625 HydrophobicContact CB-CD1 4.48Å; W609-D628 PolarHBondContact NE1-OD1 2.85Å
610	I	97.1	Very high	96.8	Very high	51 Å²	51	27.9 Å²	27.9	26%	0.262	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-29.5	173.7	66.4	-177	0	0	0	111.9	L607 W608 T612 L625 D628 P648 W652 W683	L607-I610 PolarHBondContact O-N 3.41Å; W608-I610 VanDerWaalsContact C-N 3.33Å; W608-I610 PolarHBondContact O-N 3.17Å; I610-T612 PolarHBondContact O-N 3.36Å; I610-L625 HydrophobicContact CD1-CD1 3.76Å; I610-L625 HydrophobicContact CD1-CD2 3.92Å; I610-L625 HydrophobicContact CG1-CD1 3.87Å; I610-L625 HydrophobicContact CG2-CD1 4.16Å; I610-D628 HydrophobicContact CG2-CB 4.02Å; I610-P648 HydrophobicContact CD1-CG 4.18Å; I610-P648 HydrophobicContact CG1-CG 4.34Å; I610-W652 HydrophobicContact CD1-CH2 3.79Å; I610-W652 HydrophobicContact CD1-CZ2 3.75Å; I610-W683 HydrophobicContact CD1-CZ3 4.24Å
611	A	96.4	Very high	96.8	Very high	15 Å²	15	29.2 Å²	29.2	12%	0.124	16%	0.157	C	C	.	.			trans	-96.1	56.9	177.3	0	0	0	0	0	111.7	L607 W608 G613 D614 A617 P648	L607-A611 WeakPolarHBondContact O-CB 3.35Å; L607-A611 PolarHBondContact O-N 3Å; W608-A611 CarbonylContact O-C 3.49Å; A611-G613 PolarHBondContact O-N 3.44Å; A611-D614 HydrophobicContact CB-CB 4.33Å; A611-D614 PolarHBondContact O-N 3.49Å; A611-D614 VanDerWaalsContact O-N 3.17Å; A611-A617 HydrophobicContact CB-CB 3.67Å; A611-P648 HydrophobicContact CB-CB 4.25Å; A611-P648 HydrophobicContact CB-CG 4.38Å
612	T	93.9	Very high	96.9	Very high	52 Å²	52	30.2 Å²	30.2	32%	0.319	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	2.1	-166.3	70	0	0	0	0	116.2	T259 W608 W609 I610 Y618	T259-T612 WeakPolarHBondContact OG1-CG2 3.44Å; W608-T612 VanDerWaalsContact O-CA 3.26Å; W608-T612 WeakPolarHBondContact O-CA 3.37Å; W608-T612 WeakPolarHBondContact O-CG2 3.39Å; W608-T612 PolarHBondContact O-N 3.47Å; W609-T612 VanDerWaalsContact O-CG2 3.29Å; W609-T612 WeakPolarHBondContact O-CG2 3.38Å; I610-T612 PolarHBondContact O-N 3.36Å; T612-Y618 PolarHBondContact O-OH 3.49Å; T612-Y618 VanDerWaalsContact O-OH 3.07Å
613	G	90.1	Very high	96.9	Very high	66 Å²	66	30.2 Å²	30.2	68%	0.68	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.6	4.7	179.1	0	0	0	0	0	114.3	A611 Y618	A611-G613 PolarHBondContact O-N 3.44Å; G613-Y618 WeakPolarHBondContact CA-OH 3.34Å
614	D	94.6	Very high	96.9	Very high	27 Å²	27	30.2 Å²	30.2	14%	0.144	16%	0.164	C	C	.	.			trans	-98.8	117	-177.9	-161.5	-51.2	0	0	0	112.4	A611 R616 A617 Y618 Y646 P665	A611-D614 HydrophobicContact CB-CB 4.33Å; A611-D614 PolarHBondContact O-N 3.49Å; A611-D614 VanDerWaalsContact O-N 3.17Å; D614-R616 PolarHBondContact O-N 2.91Å; D614-R616 VanDerWaalsContact O-N 3.15Å; D614-R616 WeakPolarHBondContact OD1-CA 3.26Å; D614-R616 WeakPolarHBondContact OD1-CB 3.13Å; D614-R616 WeakPolarHBondContact OD1-CG 3.47Å; D614-R616 IonicContact OD1-CZ 2.72Å; D614-R616 PolarHBondContact OD1-N 3.4Å; D614-R616 IonicContact OD1-NE 3.73Å; D614-R616 PolarHBondContact OD1-NE 2.85Å; D614-R616 IonicContact OD1-NH2 3.59Å; D614-R616 IonicContact OD2-CZ 3.84Å; D614-R616 VanDerWaalsContact OD2-CZ 3.31Å; D614-R616 IonicContact OD2-NE 2.71Å; D614-R616 PolarHBondContact OD2-NE 2.76Å; D614-R616 IonicContact OD2-NH2 3.84Å; D614-R616 PolarHBondContact OD2-NH2 3.44Å; D614-A617 HydrophobicContact CB-CB 4.08Å; D614-A617 WeakPolarHBondContact O-CB 3.32Å; D614-A617 PolarHBondContact O-N 2.69Å; D614-Y618 PolarHBondContact O-N 3.26Å; D614-Y646 VanDerWaalsContact CG-OH 3.27Å; D614-Y646 PolarHBondContact OD2-OH 3.49Å; D614-P665 WeakPolarHBondContact OD2-CG 3.48Å
615	E	94.1	Very high	96.9	Very high	99 Å²	99	30.1 Å²	30.1	46%	0.463	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	176.6	-84.6	-67.6	148	0	0	115	H153 Y618 K619	H153-E615 IonicContact NE2-OE2 3.43Å; E615-Y618 HydrophobicContact CG-CD2 4.37Å; E615-Y618 HydrophobicContact CG-CE2 4.31Å; E615-Y618 WeakPolarHBondContact OE1-CE2 3.34Å; E615-K619 WeakPolarHBondContact O-CD 3.35Å; E615-K619 WeakPolarHBondContact O-CE 3.08Å; E615-K619 PolarHBondContact O-NZ 2.65Å; E615-K619 IonicContact OE2-NZ 3.9Å; E615-K619 PolarHBondContact OE2-NZ 2.92Å
616	R	95.8	Very high	96.9	Very high	118 Å²	118	30 Å²	30	45%	0.445	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-47.2	172.4	-59	167.5	-77.4	-170.8	-4.3	109.7	D614 Y618 K619 Y646	D614-R616 PolarHBondContact O-N 2.91Å; D614-R616 VanDerWaalsContact O-N 3.15Å; D614-R616 WeakPolarHBondContact OD1-CA 3.26Å; D614-R616 WeakPolarHBondContact OD1-CB 3.13Å; D614-R616 WeakPolarHBondContact OD1-CG 3.47Å; D614-R616 IonicContact OD1-CZ 2.72Å; D614-R616 PolarHBondContact OD1-N 3.4Å; D614-R616 IonicContact OD1-NE 3.73Å; D614-R616 PolarHBondContact OD1-NE 2.85Å; D614-R616 IonicContact OD1-NH2 3.59Å; D614-R616 IonicContact OD2-CZ 3.84Å; D614-R616 VanDerWaalsContact OD2-CZ 3.31Å; D614-R616 IonicContact OD2-NE 2.71Å; D614-R616 PolarHBondContact OD2-NE 2.76Å; D614-R616 IonicContact OD2-NH2 3.84Å; D614-R616 PolarHBondContact OD2-NH2 3.44Å; R616-Y618 PolarHBondContact O-N 2.78Å; R616-K619 PolarHBondContact O-N 3.25Å; R616-Y646 HydrophobicContact CB-CD2 4.34Å; R616-Y646 HydrophobicContact CB-CE2 4.01Å
617	A	97.4	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.8	-179	0	0	0	0	0	113.4	L607 W608 A611 D614 K619 Y646	L607-A617 HydrophobicContact CB-CB 4.34Å; W608-A617 HydrophobicContact CB-CB 4.2Å; A611-A617 HydrophobicContact CB-CB 3.67Å; D614-A617 HydrophobicContact CB-CB 4.08Å; D614-A617 WeakPolarHBondContact O-CB 3.32Å; D614-A617 PolarHBondContact O-N 2.69Å; A617-K619 PolarHBondContact O-N 3.22Å; A617-Y646 HydrophobicContact CB-CE1 4.13Å
618	Y	97.8	Very high	96.8	Very high	16 Å²	16	33 Å²	33	6%	0.063	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.3	171.8	-60.8	-31.3	0	0	0	114.6	Y155 S201 V258 W608 T612 G613 D614 E615 R616	Y155-Y618 WeakPolarHBondContact OH-CA 3.18Å; Y155-Y618 WeakPolarHBondContact OH-CB 3.3Å; Y155-Y618 PolarHBondContact OH-O 3.04Å; S201-Y618 VanDerWaalsContact CB-CD2 3.48Å; S201-Y618 PolarHBondContact O-OH 3.35Å; V258-Y618 HydrophobicContact CG2-CE1 3.85Å; W608-Y618 HydrophobicContact CB-CD1 3.55Å; W608-Y618 HydrophobicContact CB-CE1 3.89Å; W608-Y618 HydrophobicContact CG-CD1 4.02Å; T612-Y618 PolarHBondContact O-OH 3.49Å; T612-Y618 VanDerWaalsContact O-OH 3.07Å; G613-Y618 WeakPolarHBondContact CA-OH 3.34Å; D614-Y618 PolarHBondContact O-N 3.26Å; E615-Y618 HydrophobicContact CG-CD2 4.37Å; E615-Y618 HydrophobicContact CG-CE2 4.31Å; E615-Y618 WeakPolarHBondContact OE1-CE2 3.34Å; R616-Y618 PolarHBondContact O-N 2.78Å
619	K	97.3	Very high	96.8	Very high	94 Å²	94	35.2 Å²	35.2	41%	0.409	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-110.8	-2.7	-169.8	-62.6	166.4	-172.2	123.9	0	114	H153 E615 R616 A617 D621	H153-K619 VanDerWaalsContact CE1-CE 3.44Å; H153-K619 WeakPolarHBondContact CE1-CE 3.45Å; H153-K619 WeakPolarHBondContact NE2-CE 3.36Å; E615-K619 WeakPolarHBondContact O-CD 3.35Å; E615-K619 WeakPolarHBondContact O-CE 3.08Å; E615-K619 PolarHBondContact O-NZ 2.65Å; E615-K619 IonicContact OE2-NZ 3.9Å; E615-K619 PolarHBondContact OE2-NZ 2.92Å; R616-K619 PolarHBondContact O-N 3.25Å; A617-K619 PolarHBondContact O-N 3.22Å; K619-D621 PolarHBondContact O-N 2.97Å
620	I	98.2	Very high	96.8	Very high	21 Å²	21	35 Å²	35	11%	0.108	19%	0.191	C	C	.	.			trans	-79.9	111.6	-175.7	-66.9	169.8	0	0	0	109.5	W165 L607 Q623 Y646	W165-I620 VanDerWaalsContact CD1-O 3.23Å; L607-I620 HydrophobicContact CD1-CG2 4.32Å; L607-I620 HydrophobicContact CD2-CD1 3.92Å; L607-I620 HydrophobicContact CD2-CG2 4.36Å; I620-Q623 HydrophobicContact CG2-CB 3.61Å; I620-Q623 HydrophobicContact CG2-CG 3.73Å; I620-Y646 HydrophobicContact CD1-CD1 3.15Å; I620-Y646 HydrophobicContact CD1-CD2 4.42Å; I620-Y646 HydrophobicContact CD1-CE1 3.82Å; I620-Y646 HydrophobicContact CD1-CG 3.5Å
621	D	97.3	Very high	96.9	Very high	31 Å²	31	32.6 Å²	32.6	17%	0.166	18%	0.178	C	C	.	.			trans	-104.3	-16.7	175.2	56.7	-2	0	0	0	113.4	W165 Y496 I504 P505 K619	W165-D621 HydrophobicContact CB-CB 3.87Å; Y496-D621 PolarHBondContact OH-OD2 3.02Å; I504-D621 VanDerWaalsContact CB-O 3.29Å; I504-D621 WeakPolarHBondContact CB-O 3.46Å; I504-D621 WeakPolarHBondContact CG2-O 3Å; P505-D621 HydrophobicContact CG-CB 3.95Å; K619-D621 PolarHBondContact O-N 2.97Å
622	S	98.3	Very high	97	Very high	29 Å²	29	31.9 Å²	31.9	20%	0.203	17%	0.172	C	C	.	.	S	Bend	trans	-99	5.9	-176.4	63.6	0	0	0	0	114.5	R643	S622-R643 PolarHBondContact O-NH1 3.01Å; S622-R643 PolarHBondContact OG-NH2 2.89Å
623	Q	98.7	Very high	97.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	16%	0.157	C	C	.	.			trans	-140.2	154.4	175	-44.1	-177.1	142.6	0	0	109.7	L607 I620 V632 A633 I645 Y646	L607-Q623 VanDerWaalsContact CD1-C 3.47Å; L607-Q623 HydrophobicContact CD1-CB 3.75Å; L607-Q623 WeakPolarHBondContact CD1-O 3.17Å; L607-Q623 HydrophobicContact CD2-CB 4.23Å; I620-Q623 HydrophobicContact CG2-CB 3.61Å; I620-Q623 HydrophobicContact CG2-CG 3.73Å; Q623-V632 WeakPolarHBondContact CA-O 3.12Å; Q623-V632 WeakPolarHBondContact CB-O 3.5Å; Q623-A633 HydrophobicContact CG-CB 3.93Å; Q623-I645 VanDerWaalsContact OE1-CA 3.25Å; Q623-Y646 PolarHBondContact NE2-O 2.6Å
624	F	98.9	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	171	175.8	61.9	-83.4	0	0	0	111.1	I504 L508 L550 F553 M554 I604 I626 M631 V632	I504-F624 HydrophobicContact CD1-CD1 3.68Å; I504-F624 HydrophobicContact CD1-CE1 3.95Å; I504-F624 HydrophobicContact CG1-CD1 3.75Å; I504-F624 HydrophobicContact CG1-CE1 4.04Å; I504-F624 HydrophobicContact CG2-CB 4.3Å; I504-F624 HydrophobicContact CG2-CD1 4.26Å; L508-F624 HydrophobicContact CD2-CB 4.35Å; L550-F624 HydrophobicContact CD1-CE1 3.49Å; L550-F624 VanDerWaalsContact CD1-CE1 3.49Å; L550-F624 HydrophobicContact CD1-CZ 3.97Å; F553-F624 HydrophobicContact CB-CE2 4.3Å; F553-F624 HydrophobicContact CB-CZ 3.81Å; F553-F624 VanDerWaalsContact O-CE2 3.32Å; F553-F624 WeakPolarHBondContact O-CE2 3.47Å; M554-F624 HydrophobicContact CE-CD1 4.39Å; M554-F624 HydrophobicContact CE-CE1 3.82Å; M554-F624 HydrophobicContact CE-CE2 4.34Å; M554-F624 HydrophobicContact CE-CZ 3.77Å; I604-F624 HydrophobicContact CD1-CD2 4.33Å; I604-F624 HydrophobicContact CD1-CE2 4.24Å; I604-F624 HydrophobicContact CG2-CB 4.06Å; I604-F624 HydrophobicContact CG2-CD2 3.69Å; I604-F624 HydrophobicContact CG2-CE2 4.43Å; I604-F624 HydrophobicContact CG2-CG 4.09Å; F624-I626 HydrophobicContact CD2-CG1 4.23Å; F624-I626 HydrophobicContact CE2-CD1 4.23Å; F624-I626 HydrophobicContact CE2-CG1 3.88Å; F624-M631 CarbonylContact O-C 3.46Å; F624-M631 WeakPolarHBondContact O-CA 3.49Å; F624-V632 HydrophobicContact CD1-CB 4.26Å; F624-V632 HydrophobicContact CD2-CB 4.36Å; F624-V632 HydrophobicContact CD2-CG2 4.42Å; F624-V632 HydrophobicContact CE1-CB 3.77Å; F624-V632 HydrophobicContact CE1-CG1 3.9Å; F624-V632 HydrophobicContact CE2-CB 3.9Å; F624-V632 HydrophobicContact CE2-CG1 4.5Å; F624-V632 HydrophobicContact CE2-CG2 3.83Å; F624-V632 HydrophobicContact CZ-CB 3.6Å; F624-V632 HydrophobicContact CZ-CG1 3.76Å; F624-V632 HydrophobicContact CZ-CG2 3.93Å; F624-V632 PolarHBondContact N-O 3.05Å; F624-V632 PolarHBondContact O-N 2.94Å
625	L	98.8	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.4	172.1	-62.8	159	0	0	0	109.5	I604 R605 L607 W609 I610 G627 L630 M631 W652	I604-L625 CarbonylContact C-O 3.54Å; I604-L625 WeakPolarHBondContact CA-O 3.42Å; R605-L625 HydrophobicContact CB-CB 4.12Å; R605-L625 PolarHBondContact N-O 2.82Å; R605-L625 PolarHBondContact O-N 3.18Å; L607-L625 HydrophobicContact CD1-CG 4.46Å; L607-L625 HydrophobicContact CG-CG 4.49Å; W609-L625 HydrophobicContact CB-CD1 4.48Å; I610-L625 HydrophobicContact CD1-CD1 3.76Å; I610-L625 HydrophobicContact CD1-CD2 3.92Å; I610-L625 HydrophobicContact CG1-CD1 3.87Å; I610-L625 HydrophobicContact CG2-CD1 4.16Å; L625-G627 WeakPolarHBondContact CB-O 3.16Å; L625-L630 CarbonylContact C-O 3.5Å; L625-L630 VanDerWaalsContact CA-O 3.29Å; L625-L630 WeakPolarHBondContact CA-O 3.02Å; L625-M631 HydrophobicContact CD2-CB 3.71Å; L625-M631 HydrophobicContact CD2-CG 3.88Å; L625-W652 HydrophobicContact CD2-CH2 3.99Å
626	I	98.8	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.6	161.4	-46.9	-174.6	0	0	0	105.5	F553 V585 R588 V589 L592 I603 I604 F624 L630 V632	F553-I626 HydrophobicContact CB-CD1 4.32Å; F553-I626 HydrophobicContact CD1-CD1 4.28Å; F553-I626 WeakPolarHBondContact O-CD1 3.3Å; V585-I626 HydrophobicContact CG1-CD1 3.84Å; V585-I626 HydrophobicContact CG2-CD1 4.45Å; R588-I626 HydrophobicContact CG-CG2 4.49Å; V589-I626 HydrophobicContact CG2-CG2 3.73Å; L592-I626 HydrophobicContact CD1-CG2 3.97Å; I603-I626 HydrophobicContact CG2-CG2 4.39Å; I604-I626 HydrophobicContact CD1-CD1 4.43Å; I604-I626 HydrophobicContact CD1-CG1 3.91Å; I604-I626 HydrophobicContact CD1-CG2 4.41Å; F624-I626 HydrophobicContact CD2-CG1 4.23Å; F624-I626 HydrophobicContact CE2-CD1 4.23Å; F624-I626 HydrophobicContact CE2-CG1 3.88Å; I626-L630 HydrophobicContact CB-CB 4.23Å; I626-L630 HydrophobicContact CB-CD2 4.27Å; I626-L630 HydrophobicContact CB-CG 4.29Å; I626-L630 HydrophobicContact CD1-CD2 3.91Å; I626-L630 HydrophobicContact CD1-CG 4.34Å; I626-L630 HydrophobicContact CG1-CD2 4.36Å; I626-L630 HydrophobicContact CG1-CG 4.36Å; I626-L630 PolarHBondContact N-O 3.06Å; I626-L630 PolarHBondContact O-N 3.12Å; I626-V632 HydrophobicContact CD1-CG2 4.4Å; I626-V632 HydrophobicContact CG1-CG2 4.41Å
627	G	98	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-142.9	-166.8	0	0	0	0	0	111.7	L592 I603 R605 L625	L592-G627 VanDerWaalsContact CD1-N 3.32Å; I603-G627 PolarHBondContact O-N 3.13Å; R605-G627 WeakPolarHBondContact CD-O 3.35Å; R605-G627 WeakPolarHBondContact CG-O 3.5Å; L625-G627 WeakPolarHBondContact CB-O 3.16Å
628	D	96.5	Very high	98.1	Very high	63 Å²	63	23.1 Å²	23.1	34%	0.337	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-4.9	176	-66.4	-40.9	0	0	0	112.3	R605 W609 I610	R605-D628 IonicContact CZ-OD1 3.21Å; R605-D628 IonicContact NH1-OD1 3.13Å; R605-D628 PolarHBondContact NH1-OD1 2.68Å; R605-D628 IonicContact NH1-OD2 3.56Å; R605-D628 PolarHBondContact NH1-OD2 3.05Å; W609-D628 PolarHBondContact NE1-OD1 2.85Å; I610-D628 HydrophobicContact CG2-CB 4.02Å
629	D	96.6	Very high	98.1	Very high	48 Å²	48	25.2 Å²	25.2	26%	0.257	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-10.9	-152.1	54.5	-53.5	0	0	0	115	R588 L682 W683	R588-D629 IonicContact CZ-OD1 3.86Å; R588-D629 VanDerWaalsContact CZ-OD1 3.3Å; R588-D629 IonicContact CZ-OD2 2.77Å; R588-D629 IonicContact NE-OD1 3.71Å; R588-D629 PolarHBondContact NE-OD1 2.67Å; R588-D629 IonicContact NE-OD2 2.67Å; R588-D629 PolarHBondContact NE-OD2 3.21Å; R588-D629 IonicContact NH2-OD1 3.79Å; R588-D629 PolarHBondContact NH2-OD1 3.38Å; R588-D629 IonicContact NH2-OD2 2.71Å; D629-L682 CarbonylContact O-C 3.56Å; D629-L682 WeakPolarHBondContact O-CA 3.32Å; D629-W683 HydrophobicContact CB-CB 4.02Å; D629-W683 PolarHBondContact O-N 3.42Å
630	L	98.4	Very high	98.1	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103	173.1	170.1	54.5	0	0	0	110	I584 L625 I626 V632 Y680 L682	I584-L630 HydrophobicContact CG2-CD2 4.37Å; L625-L630 CarbonylContact C-O 3.5Å; L625-L630 VanDerWaalsContact CA-O 3.29Å; L625-L630 WeakPolarHBondContact CA-O 3.02Å; I626-L630 HydrophobicContact CB-CB 4.23Å; I626-L630 HydrophobicContact CB-CD2 4.27Å; I626-L630 HydrophobicContact CB-CG 4.29Å; I626-L630 HydrophobicContact CD1-CD2 3.91Å; I626-L630 HydrophobicContact CD1-CG 4.34Å; I626-L630 HydrophobicContact CG1-CD2 4.36Å; I626-L630 HydrophobicContact CG1-CG 4.36Å; I626-L630 PolarHBondContact N-O 3.06Å; I626-L630 PolarHBondContact O-N 3.12Å; L630-V632 HydrophobicContact CD1-CG2 4.43Å; L630-V632 HydrophobicContact CG-CG2 4.35Å; L630-Y680 HydrophobicContact CD1-CD2 3.71Å; L630-Y680 HydrophobicContact CD1-CG 4.23Å; L630-L682 HydrophobicContact CB-CD2 4.21Å; L630-L682 HydrophobicContact CD1-CD2 3.87Å; L630-L682 HydrophobicContact CG-CD2 4.49Å
631	M	98.7	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.3	175.5	-163.5	-169.8	76.8	0	0	111.1	L607 F624 L625 I645 L647 W652 Y680 F681	L607-M631 HydrophobicContact CD2-CG 4.42Å; L607-M631 HydrophobicContact CD2-SD 3.7Å; L607-M631 HydrophobicContact CG-SD 4.35Å; F624-M631 CarbonylContact O-C 3.46Å; F624-M631 WeakPolarHBondContact O-CA 3.49Å; L625-M631 HydrophobicContact CD2-CB 3.71Å; L625-M631 HydrophobicContact CD2-CG 3.88Å; M631-I645 HydrophobicContact CE-CG2 3.95Å; M631-L647 HydrophobicContact CE-CD2 3.5Å; M631-L647 VanDerWaalsContact CE-CD2 3.5Å; M631-L647 HydrophobicContact CE-CG 4.43Å; M631-L647 HydrophobicContact SD-CD2 4.28Å; M631-W652 HydrophobicContact CB-CH2 4.04Å; M631-W652 HydrophobicContact CB-CZ3 3.79Å; M631-Y680 CarbonylContact O-C 3.6Å; M631-Y680 WeakPolarHBondContact O-CA 3.38Å; M631-Y680 WeakPolarHBondContact O-CB 3.41Å; M631-F681 HydrophobicContact CB-CB 4.42Å; M631-F681 HydrophobicContact CE-CD2 3.53Å; M631-F681 HydrophobicContact CE-CE2 4Å; M631-F681 HydrophobicContact CE-CG 4.21Å; M631-F681 PolarHBondContact N-O 3.09Å; M631-F681 PolarHBondContact O-N 2.79Å
632	V	98.9	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.1	-177	-169.1	0	0	0	0	110.4	F553 Q623 F624 I626 L630 I678	F553-V632 HydrophobicContact CB-CG1 3.93Å; F553-V632 HydrophobicContact CB-CG2 4.1Å; F553-V632 HydrophobicContact CD1-CB 4.46Å; F553-V632 HydrophobicContact CD1-CG1 4.04Å; F553-V632 HydrophobicContact CD1-CG2 3.5Å; F553-V632 VanDerWaalsContact CD1-CG2 3.5Å; F553-V632 HydrophobicContact CD2-CG1 4.48Å; F553-V632 HydrophobicContact CE1-CG2 4.26Å; F553-V632 HydrophobicContact CG-CG1 3.89Å; F553-V632 HydrophobicContact CG-CG2 4.06Å; Q623-V632 WeakPolarHBondContact CA-O 3.12Å; Q623-V632 WeakPolarHBondContact CB-O 3.5Å; F624-V632 HydrophobicContact CD1-CB 4.26Å; F624-V632 HydrophobicContact CD2-CB 4.36Å; F624-V632 HydrophobicContact CD2-CG2 4.42Å; F624-V632 HydrophobicContact CE1-CB 3.77Å; F624-V632 HydrophobicContact CE1-CG1 3.9Å; F624-V632 HydrophobicContact CE2-CB 3.9Å; F624-V632 HydrophobicContact CE2-CG1 4.5Å; F624-V632 HydrophobicContact CE2-CG2 3.83Å; F624-V632 HydrophobicContact CZ-CB 3.6Å; F624-V632 HydrophobicContact CZ-CG1 3.76Å; F624-V632 HydrophobicContact CZ-CG2 3.93Å; F624-V632 PolarHBondContact N-O 3.05Å; F624-V632 PolarHBondContact O-N 2.94Å; I626-V632 HydrophobicContact CD1-CG2 4.4Å; I626-V632 HydrophobicContact CG1-CG2 4.41Å; L630-V632 HydrophobicContact CD1-CG2 4.43Å; L630-V632 HydrophobicContact CG-CG2 4.35Å; V632-I678 HydrophobicContact CG1-CD1 3.67Å; V632-I678 HydrophobicContact CG1-CG1 4.1Å
633	A	98.7	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	82.4	-176.5	0	0	0	0	0	110.4	Q623 R643 I645 A679	Q623-A633 HydrophobicContact CG-CB 3.93Å; A633-R643 WeakPolarHBondContact O-CD 3.46Å; A633-I645 HydrophobicContact CB-CD1 4.14Å; A633-I645 HydrophobicContact CB-CG1 4.14Å; A633-I645 HydrophobicContact CB-CG2 4.41Å; A633-A679 HydrophobicContact CB-CB 4.24Å; A633-A679 PolarHBondContact N-O 2.82Å
634	P	98.4	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.			trans	-68.4	156.3	178.6	31.7	-40.8	0	0	0	113.5	I504 L550 L636 R643 I678	I504-P634 HydrophobicContact CD1-CG 3.7Å; L550-P634 HydrophobicContact CB-CB 4.33Å; L550-P634 HydrophobicContact CD1-CB 4.33Å; L550-P634 HydrophobicContact CD1-CG 3.95Å; L550-P634 HydrophobicContact CD2-CG 4.44Å; P634-L636 HydrophobicContact CB-CD2 4.05Å; P634-L636 HydrophobicContact CB-CG 4.45Å; P634-L636 HydrophobicContact CG-CD1 4.28Å; P634-L636 HydrophobicContact CG-CD2 3.73Å; P634-L636 HydrophobicContact CG-CG 3.97Å; P634-R643 VanDerWaalsContact O-CD 3.32Å; P634-R643 WeakPolarHBondContact O-CD 3.4Å; P634-R643 PolarHBondContact O-NH1 3Å; P634-I678 HydrophobicContact CB-CD1 3.85Å; P634-I678 HydrophobicContact CB-CG1 4.37Å
635	V	98.6	Very high	98.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	19%	0.188	C	C	.	.			trans	-77.5	127.4	163.5	177.7	0	0	0	0	108.8	K640 R643 V673	V635-K640 HydrophobicContact CG1-CB 3.73Å; V635-R643 HydrophobicContact CG2-CG 4.42Å; V635-V673 HydrophobicContact CG2-CB 3.87Å; V635-V673 HydrophobicContact CG2-CG1 3.83Å
636	L	98.1	Very high	98	Very high	15 Å²	15	35 Å²	35	8%	0.079	19%	0.19	C	C	.	.			trans	-122.8	12.4	-175.1	-57.3	175.1	0	0	0	112.9	L500 K501 I504 L550 P634	L500-L636 HydrophobicContact CD1-CD2 4.34Å; L500-L636 HydrophobicContact CD2-CD2 4.32Å; L500-L636 HydrophobicContact CG-CD2 3.92Å; K501-L636 WeakPolarHBondContact CE-O 3.03Å; K501-L636 HydrophobicContact CG-CB 4Å; I504-L636 HydrophobicContact CD1-CD1 4.35Å; L550-L636 HydrophobicContact CD2-CD2 4.11Å; P634-L636 HydrophobicContact CB-CD2 4.05Å; P634-L636 HydrophobicContact CB-CG 4.45Å; P634-L636 HydrophobicContact CG-CD1 4.28Å; P634-L636 HydrophobicContact CG-CD2 3.73Å; P634-L636 HydrophobicContact CG-CG 3.97Å
637	E	97.5	Very high	98	Very high	90 Å²	90	35 Å²	35	42%	0.421	19%	0.19	S	C	.	.	S	Bend	trans	-123.1	138.9	-178.4	-62.6	-63.9	163.8	0	0	109.7	K501 K640	K501-E637 VanDerWaalsContact CE-CD 3.46Å; K501-E637 WeakPolarHBondContact CE-OE1 3.49Å; K501-E637 WeakPolarHBondContact CE-OE2 3.28Å; K501-E637 IonicContact NZ-OE1 3.04Å; K501-E637 PolarHBondContact NZ-OE1 3.07Å; K501-E637 IonicContact NZ-OE2 2.78Å; K501-E637 PolarHBondContact NZ-OE2 3.08Å; E637-K640 HydrophobicContact CB-CB 4.29Å; E637-K640 HydrophobicContact CB-CG 3.87Å
638	P	97.7	Very high	97.9	Very high	70 Å²	70	35.2 Å²	35.2	46%	0.455	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	144.4	178.6	27.6	-34.2	0	0	0	112.3	W494 K640	W494-P638 HydrophobicContact CD2-CB 4.28Å; W494-P638 HydrophobicContact CD2-CG 4.49Å; W494-P638 HydrophobicContact CZ2-CB 3.88Å; P638-K640 PolarHBondContact O-N 3.08Å
639	G	97.9	Very high	97.8	Very high	61 Å²	61	34 Å²	34	63%	0.629	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	13.3	179.7	0	0	0	0	0	114.6	E542	E542-G639 WeakPolarHBondContact OE1-CA 3.32Å; E542-G639 PolarHBondContact OE1-N 3.28Å; E542-G639 PolarHBondContact OE2-N 3.42Å
640	K	97.8	Very high	97.8	Very high	83 Å²	83	32.2 Å²	32.2	36%	0.361	18%	0.182	S	C	.	.			trans	-101.4	135.7	-176.1	-77.6	-58.8	-158.1	171.1	0	112.6	R546 V635 E637 P638 E642	R546-K640 PolarHBondContact NH2-O 3.03Å; V635-K640 HydrophobicContact CG1-CB 3.73Å; E637-K640 HydrophobicContact CB-CB 4.29Å; E637-K640 HydrophobicContact CB-CG 3.87Å; P638-K640 PolarHBondContact O-N 3.08Å; K640-E642 HydrophobicContact CD-CG 4.44Å; K640-E642 IonicContact NZ-OE1 2.65Å; K640-E642 PolarHBondContact NZ-OE1 3.14Å
641	Q	97.5	Very high	97.7	Very high	105 Å²	105	36.6 Å²	36.6	49%	0.491	20%	0.203	S	C	.	.	S	Bend	trans	-126	21.2	173.7	-66.8	-169.7	84.6	0	0	111.7	V673 L675	Q641-V673 CarbonylContact C-O 3.59Å; Q641-V673 WeakPolarHBondContact CA-O 3.41Å; Q641-V673 CarbonylContact O-C 3.47Å; Q641-V673 VanDerWaalsContact O-C 3.29Å; Q641-V673 PolarHBondContact O-N 2.8Å; Q641-L675 VanDerWaalsContact OE1-N 3.15Å
642	E	97.9	Very high	97.7	Very high	74 Å²	74	36.6 Å²	36.6	35%	0.346	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.2	178.7	73.9	-153.2	161.7	0	0	107.6	K640 D670 Y671	K640-E642 HydrophobicContact CD-CG 4.44Å; K640-E642 IonicContact NZ-OE1 2.65Å; K640-E642 PolarHBondContact NZ-OE1 3.14Å; E642-D670 HydrophobicContact CG-CB 4.5Å; E642-Y671 CarbonylContact C-O 3.52Å; E642-Y671 VanDerWaalsContact CA-O 3.25Å; E642-Y671 WeakPolarHBondContact CA-O 3.3Å
643	R	97.8	Very high	97.6	Very high	34 Å²	34	41.4 Å²	41.4	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	158.8	168.9	60.7	159.2	-66.5	166.1	2.3	113	S622 A633 P634 V635 I645 Y671 V673	S622-R643 PolarHBondContact O-NH1 3.01Å; S622-R643 PolarHBondContact OG-NH2 2.89Å; A633-R643 WeakPolarHBondContact O-CD 3.46Å; P634-R643 VanDerWaalsContact O-CD 3.32Å; P634-R643 WeakPolarHBondContact O-CD 3.4Å; P634-R643 PolarHBondContact O-NH1 3Å; V635-R643 HydrophobicContact CG2-CG 4.42Å; R643-I645 HydrophobicContact CG-CD1 4.33Å; R643-I645 HydrophobicContact CG-CG1 4.03Å; R643-Y671 PolarHBondContact N-O 2.88Å; R643-Y671 WeakPolarHBondContact O-CB 3.45Å; R643-Y671 PolarHBondContact O-N 2.72Å; R643-V673 HydrophobicContact CG-CG2 4.26Å
644	D	98.1	Very high	97.6	Very high	76 Å²	76	41.7 Å²	41.7	41%	0.406	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.4	167.7	-64.9	-21.1	0	0	0	110.9	L668 T669 D670	D644-L668 CarbonylContact C-O 3.49Å; D644-L668 WeakPolarHBondContact CA-O 3.35Å; D644-T669 VanDerWaalsContact OD1-CA 3.26Å; D644-T669 WeakPolarHBondContact OD1-CA 3.42Å; D644-D670 PolarHBondContact OD1-N 2.79Å; D644-D670 VanDerWaalsContact OD1-N 3.08Å
645	I	98.5	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.1	-177.8	-60.2	-177.8	0	0	0	109.2	Q623 M631 A633 R643 L647 H667 L668 Y671 A679 F681	Q623-I645 VanDerWaalsContact OE1-CA 3.25Å; M631-I645 HydrophobicContact CE-CG2 3.95Å; A633-I645 HydrophobicContact CB-CD1 4.14Å; A633-I645 HydrophobicContact CB-CG1 4.14Å; A633-I645 HydrophobicContact CB-CG2 4.41Å; R643-I645 HydrophobicContact CG-CD1 4.33Å; R643-I645 HydrophobicContact CG-CG1 4.03Å; I645-L647 HydrophobicContact CG2-CG 4.44Å; I645-H667 CarbonylContact O-C 3.59Å; I645-H667 WeakPolarHBondContact O-CA 3.44Å; I645-H667 PolarHBondContact O-ND1 2.94Å; I645-L668 HydrophobicContact CB-CB 4.28Å; I645-L668 PolarHBondContact N-O 2.96Å; I645-L668 PolarHBondContact O-N 2.91Å; I645-Y671 HydrophobicContact CD1-CD1 3.46Å; I645-Y671 VanDerWaalsContact CD1-CD1 3.46Å; I645-Y671 HydrophobicContact CD1-CE1 4.11Å; I645-Y671 HydrophobicContact CD1-CG 3.78Å; I645-A679 HydrophobicContact CD1-CB 3.5Å; I645-F681 HydrophobicContact CD1-CE2 3.95Å; I645-F681 HydrophobicContact CD1-CZ 4.02Å; I645-F681 HydrophobicContact CG2-CE2 3.8Å; I645-F681 HydrophobicContact CG2-CZ 4.02Å
646	Y	98.2	Very high	97.4	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125	171.6	165.3	-87.6	0	0	0	109.7	L607 D614 R616 A617 I620 Q623 P648 P665	L607-Y646 HydrophobicContact CD2-CD1 3.72Å; L607-Y646 HydrophobicContact CD2-CE1 4.16Å; D614-Y646 VanDerWaalsContact CG-OH 3.27Å; D614-Y646 PolarHBondContact OD2-OH 3.49Å; R616-Y646 HydrophobicContact CB-CD2 4.34Å; R616-Y646 HydrophobicContact CB-CE2 4.01Å; A617-Y646 HydrophobicContact CB-CE1 4.13Å; I620-Y646 HydrophobicContact CD1-CD1 3.15Å; I620-Y646 HydrophobicContact CD1-CD2 4.42Å; I620-Y646 HydrophobicContact CD1-CE1 3.82Å; I620-Y646 HydrophobicContact CD1-CG 3.5Å; Q623-Y646 PolarHBondContact NE2-O 2.6Å; Y646-P648 HydrophobicContact CE1-CG 3.87Å; Y646-P665 HydrophobicContact CE2-CB 3.55Å
647	L	97.9	Very high	97.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.8	174.5	-71.6	169.5	0	0	0	109.4	M631 I645 W652 F660 L662 P665 L666 L668 F681	M631-L647 HydrophobicContact CE-CD2 3.5Å; M631-L647 VanDerWaalsContact CE-CD2 3.5Å; M631-L647 HydrophobicContact CE-CG 4.43Å; M631-L647 HydrophobicContact SD-CD2 4.28Å; I645-L647 HydrophobicContact CG2-CG 4.44Å; L647-W652 HydrophobicContact CD2-CB 4.39Å; L647-W652 HydrophobicContact CD2-CD2 4.31Å; L647-W652 HydrophobicContact CD2-CG 4.09Å; L647-F660 HydrophobicContact CD1-CB 4.36Å; L647-F660 HydrophobicContact CD1-CD1 4.19Å; L647-F660 HydrophobicContact CD1-CD2 4.18Å; L647-F660 HydrophobicContact CD1-CG 3.98Å; L647-L662 HydrophobicContact CB-CD1 3.61Å; L647-L662 HydrophobicContact CD1-CD1 4.2Å; L647-P665 CarbonylContact O-C 3.49Å; L647-P665 WeakPolarHBondContact O-CA 3.29Å; L647-P665 WeakPolarHBondContact O-CB 3.47Å; L647-L666 HydrophobicContact CB-CB 4.47Å; L647-L666 PolarHBondContact N-O 3.36Å; L647-L666 PolarHBondContact O-N 3.14Å; L647-L668 HydrophobicContact CD1-CD1 3.69Å; L647-L668 HydrophobicContact CD1-CG 4.24Å; L647-L668 HydrophobicContact CG-CD1 4.48Å; L647-F681 HydrophobicContact CD1-CD1 4.39Å; L647-F681 HydrophobicContact CD1-CE1 4.15Å; L647-F681 HydrophobicContact CD2-CB 4.29Å; L647-F681 HydrophobicContact CD2-CD1 3.77Å; L647-F681 HydrophobicContact CD2-CD2 4.14Å; L647-F681 HydrophobicContact CD2-CE1 4.1Å; L647-F681 HydrophobicContact CD2-CE2 4.45Å; L647-F681 HydrophobicContact CD2-CG 3.8Å; L647-F681 HydrophobicContact CD2-CZ 4.44Å
648	P	96.5	Very high	97.4	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.026	27%	0.267	C	S	.	.			trans	-55.6	157.3	167.2	-23.9	33.9	0	0	0	112.5	L607 I610 A611 Y646 G650 W652	L607-P648 HydrophobicContact CD2-CG 4.48Å; I610-P648 HydrophobicContact CD1-CG 4.18Å; I610-P648 HydrophobicContact CG1-CG 4.34Å; A611-P648 HydrophobicContact CB-CB 4.25Å; A611-P648 HydrophobicContact CB-CG 4.38Å; Y646-P648 HydrophobicContact CE1-CG 3.87Å; P648-G650 PolarHBondContact O-N 3.4Å; P648-W652 HydrophobicContact CB-CZ2 4.3Å; P648-W652 HydrophobicContact CG-CZ2 4.1Å; P648-W652 PolarHBondContact O-NE1 2.87Å
649	A	95.1	Very high	97.4	Very high	39 Å²	39	55 Å²	55	32%	0.322	28%	0.279	S	S	.	.	S	Bend	trans	-55.6	138.2	165.3	0	0	0	0	0	110.1	L662 P665	A649-L662 CarbonylContact C-O 3.47Å; A649-L662 WeakPolarHBondContact CA-O 3.27Å; A649-P665 HydrophobicContact CB-CG 4.31Å
650	G	94.8	Very high	97.4	Very high	9 Å²	9	53.5 Å²	53.5	9%	0.093	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.4	-175.2	-167.5	0	0	0	0	0	113.2	P648 L662	P648-G650 PolarHBondContact O-N 3.4Å; G650-L662 PolarHBondContact N-O 3.14Å; G650-L662 WeakPolarHBondContact O-CB 3.33Å; G650-L662 PolarHBondContact O-N 2.94Å
651	H	97.1	Very high	97.3	Very high	95 Å²	95	54.9 Å²	54.9	44%	0.44	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.2	177	-64.6	-77.5	0	0	0	108.4	D661 W683 V684	H651-D661 IonicContact CE1-OD1 3.22Å; H651-D661 IonicContact CG-OD1 3.48Å; H651-D661 IonicContact ND1-OD1 3.5Å; H651-D661 PolarHBondContact ND1-OD1 3.23Å; H651-W683 VanDerWaalsContact O-CA 3.32Å; H651-W683 WeakPolarHBondContact O-CA 3.16Å; H651-V684 HydrophobicContact CB-CG2 4.17Å; H651-V684 WeakPolarHBondContact CB-O 3.4Å; H651-V684 PolarHBondContact O-N 2.73Å
652	W	98	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.9	-175.2	-61	97.6	0	0	0	111.7	I610 L625 M631 L647 P648 R659 F660 F681 L682 W683	I610-W652 HydrophobicContact CD1-CH2 3.79Å; I610-W652 HydrophobicContact CD1-CZ2 3.75Å; L625-W652 HydrophobicContact CD2-CH2 3.99Å; M631-W652 HydrophobicContact CB-CH2 4.04Å; M631-W652 HydrophobicContact CB-CZ3 3.79Å; L647-W652 HydrophobicContact CD2-CB 4.39Å; L647-W652 HydrophobicContact CD2-CD2 4.31Å; L647-W652 HydrophobicContact CD2-CG 4.09Å; P648-W652 HydrophobicContact CB-CZ2 4.3Å; P648-W652 HydrophobicContact CG-CZ2 4.1Å; P648-W652 PolarHBondContact O-NE1 2.87Å; W652-R659 CarbonylContact O-C 3.55Å; W652-R659 WeakPolarHBondContact O-CA 3.35Å; W652-F660 HydrophobicContact CB-CB 4.33Å; W652-F660 PolarHBondContact N-O 3.23Å; W652-F660 PolarHBondContact O-N 2.83Å; W652-F681 HydrophobicContact CE3-CB 3.88Å; W652-L682 CarbonylContact C-O 3.6Å; W652-L682 WeakPolarHBondContact CA-O 3.14Å; W652-W683 HydrophobicContact CD2-CE3 4.3Å; W652-W683 AromaticContact CE2-CE3 3.79Å; W652-W683 AromaticContact CE2-CZ3 3.93Å; W652-W683 HydrophobicContact CE3-CB 4.48Å; W652-W683 HydrophobicContact CE3-CE3 4.44Å; W652-W683 AromaticContact CH2-CE3 3.68Å; W652-W683 HydrophobicContact CH2-CE3 3.68Å; W652-W683 HydrophobicContact CH2-CZ3 4.21Å; W652-W683 AromaticContact CZ2-CE3 3.48Å; W652-W683 HydrophobicContact CZ2-CE3 3.48Å; W652-W683 VanDerWaalsContact CZ2-CE3 3.48Å; W652-W683 AromaticContact CZ2-CZ3 3.61Å; W652-W683 HydrophobicContact CZ2-CZ3 3.61Å; W652-W683 HydrophobicContact CZ3-CB 4.35Å; W652-W683 HydrophobicContact CZ3-CE3 4.15Å
653	R	98.3	Very high	97	Very high	102 Å²	102	57.2 Å²	57.2	39%	0.385	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.3	169.3	178.3	-178.1	57.5	-176.5	-8.2	110.1	E658 F681 L682 V684	R653-E658 CarbonylContact C-O 3.48Å; R653-E658 WeakPolarHBondContact CA-O 2.96Å; R653-F681 CarbonylContact O-C 3.59Å; R653-F681 VanDerWaalsContact O-CA 3.31Å; R653-F681 WeakPolarHBondContact O-CA 3.44Å; R653-L682 PolarHBondContact N-O 2.88Å; R653-L682 PolarHBondContact O-N 2.95Å; R653-V684 HydrophobicContact CB-CG1 3.68Å; R653-V684 HydrophobicContact CB-CG2 4.18Å
654	S	98.1	Very high	96.9	Very high	5 Å²	5	62.7 Å²	62.7	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	159.8	175.2	73.2	0	0	0	0	111.4	K656 G657 E658	S654-K656 PolarHBondContact O-N 3.41Å; S654-K656 PolarHBondContact OG-N 3.39Å; S654-G657 WeakPolarHBondContact O-CA 3.33Å; S654-G657 PolarHBondContact O-N 2.91Å; S654-G657 PolarHBondContact OG-N 3.43Å; S654-E658 WeakPolarHBondContact CB-OE2 3.38Å; S654-E658 PolarHBondContact N-O 2.9Å; S654-E658 WeakPolarHBondContact OG-CB 3.26Å; S654-E658 PolarHBondContact OG-N 2.96Å; S654-E658 PolarHBondContact OG-OE2 2.76Å
655	Y	96.3	Very high	96.7	Very high	51 Å²	51	60.2 Å²	60.2	20%	0.2	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.6	167.7	73.4	-74.1	0	0	0	113.8	G657 Y671 P672 E677 A679 Y680	Y655-G657 VanDerWaalsContact C-N 3.26Å; Y655-Y671 AromaticContact CE1-CE1 3.91Å; Y655-Y671 HydrophobicContact CE1-CE1 3.91Å; Y655-P672 PolarHBondContact OH-O 3.25Å; Y655-E677 HydrophobicContact CE2-CB 4.34Å; Y655-E677 HydrophobicContact CE2-CG 4.38Å; Y655-E677 PolarHBondContact OH-OE2 2.74Å; Y655-A679 VanDerWaalsContact CE1-CA 3.48Å; Y655-A679 HydrophobicContact CE1-CB 3.96Å; Y655-Y680 HydrophobicContact CG-CD1 4.21Å; Y655-Y680 HydrophobicContact CG-CE1 4.07Å; Y655-Y680 PolarHBondContact N-O 3.46Å
656	K	96.6	Very high	96.6	Very high	88 Å²	88	63.1 Å²	63.1	38%	0.383	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.5	173.2	-70.2	178.3	170.4	166.5	0	113.1	S654 P672 E677	S654-K656 PolarHBondContact O-N 3.41Å; S654-K656 PolarHBondContact OG-N 3.39Å; K656-P672 PolarHBondContact NZ-O 3.09Å; K656-E677 WeakPolarHBondContact CE-OE1 3.27Å; K656-E677 VanDerWaalsContact CE-OE2 3.29Å; K656-E677 WeakPolarHBondContact CE-OE2 3.44Å; K656-E677 IonicContact NZ-OE1 4Å; K656-E677 PolarHBondContact NZ-OE1 2.74Å; K656-E677 IonicContact NZ-OE2 2.76Å; K656-E677 PolarHBondContact NZ-OE2 3.33Å
657	G	97.2	Very high	96.6	Very high	46 Å²	46	67.3 Å²	67.3	47%	0.474	33%	0.325	S	S	.	.	S	Bend	trans	89.1	-0.6	174.5	0	0	0	0	0	115.2	S654 Y655	S654-G657 WeakPolarHBondContact O-CA 3.33Å; S654-G657 PolarHBondContact O-N 2.91Å; S654-G657 PolarHBondContact OG-N 3.43Å; Y655-G657 VanDerWaalsContact C-N 3.26Å
658	E	97.8	Very high	96.5	Very high	84 Å²	84	68.6 Å²	68.6	39%	0.393	33%	0.332	S	S	.	.			trans	-65.5	150.5	175.6	-55.6	153.2	112.3	0	0	110.3	R653 S654 F660 Y671	R653-E658 CarbonylContact C-O 3.48Å; R653-E658 WeakPolarHBondContact CA-O 2.96Å; S654-E658 WeakPolarHBondContact CB-OE2 3.38Å; S654-E658 PolarHBondContact N-O 2.9Å; S654-E658 WeakPolarHBondContact OG-CB 3.26Å; S654-E658 PolarHBondContact OG-N 2.96Å; S654-E658 PolarHBondContact OG-OE2 2.76Å; E658-F660 HydrophobicContact CB-CE2 3.74Å; E658-F660 HydrophobicContact CB-CZ 3.94Å; E658-Y671 PolarHBondContact OE2-OH 2.92Å; E658-Y671 VanDerWaalsContact OE2-OH 3.11Å
659	R	97.8	Very high	96.6	Very high	189 Å²	189	73 Å²	73	71%	0.713	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.1	179.4	-62.3	-173.9	-175.4	-162	0.5	111.2	W652	W652-R659 CarbonylContact O-C 3.55Å; W652-R659 WeakPolarHBondContact O-CA 3.35Å
660	F	97.6	Very high	96.7	Very high	29 Å²	29	75.7 Å²	75.7	13%	0.127	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	101.4	-179.5	-55	-90.7	0	0	0	108.8	L647 W652 E658 L662 L666 L668 F681	L647-F660 HydrophobicContact CD1-CB 4.36Å; L647-F660 HydrophobicContact CD1-CD1 4.19Å; L647-F660 HydrophobicContact CD1-CD2 4.18Å; L647-F660 HydrophobicContact CD1-CG 3.98Å; W652-F660 HydrophobicContact CB-CB 4.33Å; W652-F660 PolarHBondContact N-O 3.23Å; W652-F660 PolarHBondContact O-N 2.83Å; E658-F660 HydrophobicContact CB-CE2 3.74Å; E658-F660 HydrophobicContact CB-CZ 3.94Å; F660-L662 HydrophobicContact CB-CD1 4.13Å; F660-L662 HydrophobicContact CB-CD2 4.08Å; F660-L662 HydrophobicContact CB-CG 3.88Å; F660-L662 PolarHBondContact O-N 3.31Å; F660-L666 HydrophobicContact CD1-CD2 4.02Å; F660-L666 HydrophobicContact CE1-CD2 4.48Å; F660-L668 HydrophobicContact CE1-CD1 4.18Å; F660-L668 HydrophobicContact CE1-CD2 3.96Å; F660-L668 HydrophobicContact CZ-CD1 4.14Å; F660-F681 HydrophobicContact CD2-CE1 4.46Å; F660-F681 HydrophobicContact CE2-CD1 4.36Å; F660-F681 AromaticContact CE2-CE1 3.95Å; F660-F681 HydrophobicContact CE2-CE1 3.95Å
661	D	96.9	Very high	96.8	Very high	113 Å²	113	75.9 Å²	75.9	60%	0.604	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	85.6	176.1	-65.8	-54.2	0	0	0	109.4	H651	H651-D661 IonicContact CE1-OD1 3.22Å; H651-D661 IonicContact CG-OD1 3.48Å; H651-D661 IonicContact ND1-OD1 3.5Å; H651-D661 PolarHBondContact ND1-OD1 3.23Å
662	L	95.3	Very high	96.9	Very high	29 Å²	29	74.8 Å²	74.8	15%	0.152	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.4	-164.4	-58.7	-177.1	0	0	0	112.2	L647 A649 G650 F660 L666	L647-L662 HydrophobicContact CB-CD1 3.61Å; L647-L662 HydrophobicContact CD1-CD1 4.2Å; A649-L662 CarbonylContact C-O 3.47Å; A649-L662 WeakPolarHBondContact CA-O 3.27Å; G650-L662 PolarHBondContact N-O 3.14Å; G650-L662 WeakPolarHBondContact O-CB 3.33Å; G650-L662 PolarHBondContact O-N 2.94Å; F660-L662 HydrophobicContact CB-CD1 4.13Å; F660-L662 HydrophobicContact CB-CD2 4.08Å; F660-L662 HydrophobicContact CB-CG 3.88Å; F660-L662 PolarHBondContact O-N 3.31Å; L662-L666 HydrophobicContact CD1-CB 3.65Å; L662-L666 HydrophobicContact CD1-CD2 4.46Å; L662-L666 HydrophobicContact CD2-CB 3.93Å; L662-L666 HydrophobicContact CD2-CD2 3.89Å; L662-L666 HydrophobicContact CG-CB 4.43Å
663	K	93.8	Very high	96.9	Very high	199 Å²	199	74.8 Å²	74.8	87%	0.865	37%	0.367	S	S	*	.	S	Bend	trans	-73.5	-29.6	168.5	-67.9	-175.7	178.9	179.3	0	113.1
664	E	94.3	Very high	96.8	Very high	148 Å²	148	73.8 Å²	73.8	69%	0.692	37%	0.37	S	S	*	.	S	Bend	trans	-132.1	150.8	179.9	-70	-63.9	162	0	0	108.5	L666	E664-L666 PolarHBondContact O-N 3.45Å
665	P	95.5	Very high	96.5	Very high	24 Å²	24	76.1 Å²	76.1	16%	0.156	38%	0.381	C	S	.	.			trans	-63.3	134.7	-177.2	-22.5	34.3	0	0	0	113.1	D614 Y646 L647 A649	D614-P665 WeakPolarHBondContact OD2-CG 3.48Å; Y646-P665 HydrophobicContact CE2-CB 3.55Å; L647-P665 CarbonylContact O-C 3.49Å; L647-P665 WeakPolarHBondContact O-CA 3.29Å; L647-P665 WeakPolarHBondContact O-CB 3.47Å; A649-P665 HydrophobicContact CB-CG 4.31Å
666	L	96.5	Very high	96.4	Very high	61 Å²	61	75.7 Å²	75.7	32%	0.319	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	145.1	-177.9	-178.9	60.7	0	0	0	110.9	L647 F660 L662 E664 L668	L647-L666 HydrophobicContact CB-CB 4.47Å; L647-L666 PolarHBondContact N-O 3.36Å; L647-L666 PolarHBondContact O-N 3.14Å; F660-L666 HydrophobicContact CD1-CD2 4.02Å; F660-L666 HydrophobicContact CE1-CD2 4.48Å; L662-L666 HydrophobicContact CD1-CB 3.65Å; L662-L666 HydrophobicContact CD1-CD2 4.46Å; L662-L666 HydrophobicContact CD2-CB 3.93Å; L662-L666 HydrophobicContact CD2-CD2 3.89Å; L662-L666 HydrophobicContact CG-CB 4.43Å; E664-L666 PolarHBondContact O-N 3.45Å; L666-L668 HydrophobicContact CD2-CD2 3.62Å; L666-L668 HydrophobicContact CD2-CG 4.34Å; L666-L668 HydrophobicContact CG-CD2 4.06Å; L666-L668 HydrophobicContact CG-CG 4.46Å
667	H	96.5	Very high	96.4	Very high	98 Å²	98	73.5 Å²	73.5	45%	0.454	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.9	166.8	-164.8	51.6	0	0	0	108.3	I645	I645-H667 CarbonylContact O-C 3.59Å; I645-H667 WeakPolarHBondContact O-CA 3.44Å; I645-H667 PolarHBondContact O-ND1 2.94Å
668	L	97.5	Very high	96.4	Very high	28 Å²	28	71.5 Å²	71.5	15%	0.147	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.8	171.5	-58.4	173.4	0	0	0	106.9	D644 I645 L647 F660 L666 Y671 F681	D644-L668 CarbonylContact C-O 3.49Å; D644-L668 WeakPolarHBondContact CA-O 3.35Å; I645-L668 HydrophobicContact CB-CB 4.28Å; I645-L668 PolarHBondContact N-O 2.96Å; I645-L668 PolarHBondContact O-N 2.91Å; L647-L668 HydrophobicContact CD1-CD1 3.69Å; L647-L668 HydrophobicContact CD1-CG 4.24Å; L647-L668 HydrophobicContact CG-CD1 4.48Å; F660-L668 HydrophobicContact CE1-CD1 4.18Å; F660-L668 HydrophobicContact CE1-CD2 3.96Å; F660-L668 HydrophobicContact CZ-CD1 4.14Å; L666-L668 HydrophobicContact CD2-CD2 3.62Å; L666-L668 HydrophobicContact CD2-CG 4.34Å; L666-L668 HydrophobicContact CG-CD2 4.06Å; L666-L668 HydrophobicContact CG-CG 4.46Å; L668-Y671 HydrophobicContact CB-CD2 4.47Å; L668-Y671 HydrophobicContact CD1-CD2 3.81Å; L668-Y671 HydrophobicContact CD1-CE2 4.23Å; L668-F681 HydrophobicContact CD1-CE1 4.36Å; L668-F681 HydrophobicContact CD1-CZ 4.27Å
669	T	97.2	Very high	96.4	Very high	95 Å²	95	67.5 Å²	67.5	58%	0.583	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.9	176.2	52.5	0	0	0	0	110.3	D644 Y671	D644-T669 VanDerWaalsContact OD1-CA 3.26Å; D644-T669 WeakPolarHBondContact OD1-CA 3.42Å; T669-Y671 PolarHBondContact O-N 3.21Å; T669-Y671 VanDerWaalsContact O-N 3.16Å
670	D	96.7	Very high	96.5	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.3	39.2	176.5	-53.4	-51.6	0	0	0	113.3	E642 D644 P672	E642-D670 HydrophobicContact CG-CB 4.5Å; D644-D670 PolarHBondContact OD1-N 2.79Å; D644-D670 VanDerWaalsContact OD1-N 3.08Å; D670-P672 WeakPolarHBondContact O-CD 3.3Å
671	Y	98.3	Very high	96.5	Very high	14 Å²	14	58.8 Å²	58.8	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.8	-178.3	179.1	-85.1	0	0	0	109.9	E642 R643 I645 Y655 E658 L668 T669 V673 A679 F681	E642-Y671 CarbonylContact C-O 3.52Å; E642-Y671 VanDerWaalsContact CA-O 3.25Å; E642-Y671 WeakPolarHBondContact CA-O 3.3Å; R643-Y671 PolarHBondContact N-O 2.88Å; R643-Y671 WeakPolarHBondContact O-CB 3.45Å; R643-Y671 PolarHBondContact O-N 2.72Å; I645-Y671 HydrophobicContact CD1-CD1 3.46Å; I645-Y671 VanDerWaalsContact CD1-CD1 3.46Å; I645-Y671 HydrophobicContact CD1-CE1 4.11Å; I645-Y671 HydrophobicContact CD1-CG 3.78Å; Y655-Y671 AromaticContact CE1-CE1 3.91Å; Y655-Y671 HydrophobicContact CE1-CE1 3.91Å; E658-Y671 PolarHBondContact OE2-OH 2.92Å; E658-Y671 VanDerWaalsContact OE2-OH 3.11Å; L668-Y671 HydrophobicContact CB-CD2 4.47Å; L668-Y671 HydrophobicContact CD1-CD2 3.81Å; L668-Y671 HydrophobicContact CD1-CE2 4.23Å; T669-Y671 PolarHBondContact O-N 3.21Å; T669-Y671 VanDerWaalsContact O-N 3.16Å; Y671-V673 HydrophobicContact CD1-CG2 3.75Å; Y671-V673 HydrophobicContact CE1-CG2 4.1Å; Y671-V673 PolarHBondContact O-N 2.85Å; Y671-A679 HydrophobicContact CD1-CB 4.36Å; Y671-A679 HydrophobicContact CE1-CB 4.07Å; Y671-F681 HydrophobicContact CE2-CZ 4.46Å
672	P	98.1	Very high	96.5	Very high	72 Å²	72	55.8 Å²	55.8	47%	0.468	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128	-173.8	-24	35.1	0	0	0	114.3	Y655 K656 D670	Y655-P672 PolarHBondContact OH-O 3.25Å; K656-P672 PolarHBondContact NZ-O 3.09Å; D670-P672 WeakPolarHBondContact O-CD 3.3Å
673	V	97.8	Very high	96.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.			trans	-144.8	86.2	179.8	-172.4	0	0	0	0	108.2	R546 V635 Q641 R643 Y671 E677 A679	R546-V673 PolarHBondContact NH2-O 3.09Å; V635-V673 HydrophobicContact CG2-CB 3.87Å; V635-V673 HydrophobicContact CG2-CG1 3.83Å; Q641-V673 CarbonylContact C-O 3.59Å; Q641-V673 WeakPolarHBondContact CA-O 3.41Å; Q641-V673 CarbonylContact O-C 3.47Å; Q641-V673 VanDerWaalsContact O-C 3.29Å; Q641-V673 PolarHBondContact O-N 2.8Å; R643-V673 HydrophobicContact CG-CG2 4.26Å; Y671-V673 HydrophobicContact CD1-CG2 3.75Å; Y671-V673 HydrophobicContact CE1-CG2 4.1Å; Y671-V673 PolarHBondContact O-N 2.85Å; V673-E677 HydrophobicContact CG1-CB 3.98Å; V673-E677 WeakPolarHBondContact CG1-O 2.95Å; V673-A679 HydrophobicContact CG2-CB 3.78Å
674	D	97.2	Very high	96.3	Very high	80 Å²	80	55 Å²	55	43%	0.428	28%	0.284	S	S	.	.			trans	-60.5	166.9	-176.1	-65.4	-25.6	0	0	0	111.9	R546 D676 E677	R546-D674 PolarHBondContact NH1-O 2.74Å; R546-D674 PolarHBondContact NH2-O 3.23Å; D674-D676 PolarHBondContact O-N 3.05Å; D674-E677 HydrophobicContact CB-CG 4.19Å; D674-E677 PolarHBondContact N-OE2 3.31Å; D674-E677 VanDerWaalsContact N-OE2 3.15Å; D674-E677 WeakPolarHBondContact O-CB 3.44Å; D674-E677 PolarHBondContact O-N 3.42Å
675	L	92.5	Very high	96.4	Very high	54 Å²	54	50.4 Å²	50.4	28%	0.283	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	132.8	166.3	-169.9	67.4	0	0	0	108.4	E542 I545 Q641	E542-L675 HydrophobicContact CG-CD1 4.09Å; I545-L675 HydrophobicContact CB-CD1 4.1Å; I545-L675 HydrophobicContact CD1-CD1 4.16Å; I545-L675 HydrophobicContact CD1-CD2 4.09Å; I545-L675 HydrophobicContact CD1-CG 4.25Å; I545-L675 HydrophobicContact CG2-CD1 3.59Å; I545-L675 HydrophobicContact CG2-CG 4.2Å; Q641-L675 VanDerWaalsContact OE1-N 3.15Å
676	D	93.1	Very high	96.4	Very high	43 Å²	43	51.7 Å²	51.7	23%	0.23	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	0.8	-164.1	-170.6	42	0	0	0	114.9	E549 I573 K576 Y577 D674	E549-D676 WeakPolarHBondContact OE1-CA 3.46Å; E549-D676 PolarHBondContact OE1-N 2.98Å; E549-D676 VanDerWaalsContact OE1-N 3.08Å; I573-D676 HydrophobicContact CD1-CB 4.04Å; I573-D676 HydrophobicContact CG1-CB 3.88Å; K576-D676 WeakPolarHBondContact CD-OD1 3.21Å; K576-D676 WeakPolarHBondContact CD-OD2 3.47Å; K576-D676 PolarHBondContact NZ-O 2.8Å; K576-D676 IonicContact NZ-OD1 2.71Å; K576-D676 PolarHBondContact NZ-OD1 2.79Å; K576-D676 IonicContact NZ-OD2 2.72Å; K576-D676 PolarHBondContact NZ-OD2 2.81Å; Y577-D676 WeakPolarHBondContact CE2-O 3.11Å; Y577-D676 WeakPolarHBondContact CE2-OD1 3.4Å; Y577-D676 PolarHBondContact OH-O 2.7Å; D674-D676 PolarHBondContact O-N 3.05Å
677	E	96.7	Very high	96.4	Very high	42 Å²	42	51.2 Å²	51.2	20%	0.196	27%	0.267	C	S	.	.			trans	-110.2	148.5	168.6	-63.9	-166.6	129	0	0	113	R546 Y577 Y655 K656 V673 D674	R546-E677 PolarHBondContact NH1-O 2.95Å; Y577-E677 VanDerWaalsContact OH-C 3.29Å; Y577-E677 WeakPolarHBondContact OH-CA 3.33Å; Y655-E677 HydrophobicContact CE2-CB 4.34Å; Y655-E677 HydrophobicContact CE2-CG 4.38Å; Y655-E677 PolarHBondContact OH-OE2 2.74Å; K656-E677 WeakPolarHBondContact CE-OE1 3.27Å; K656-E677 VanDerWaalsContact CE-OE2 3.29Å; K656-E677 WeakPolarHBondContact CE-OE2 3.44Å; K656-E677 IonicContact NZ-OE1 4Å; K656-E677 PolarHBondContact NZ-OE1 2.74Å; K656-E677 IonicContact NZ-OE2 2.76Å; K656-E677 PolarHBondContact NZ-OE2 3.33Å; V673-E677 HydrophobicContact CG1-CB 3.98Å; V673-E677 WeakPolarHBondContact CG1-O 2.95Å; D674-E677 HydrophobicContact CB-CG 4.19Å; D674-E677 PolarHBondContact N-OE2 3.31Å; D674-E677 VanDerWaalsContact N-OE2 3.15Å; D674-E677 WeakPolarHBondContact O-CB 3.44Å; D674-E677 PolarHBondContact O-N 3.42Å
678	I	97.3	Very high	96.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	26%	0.256	C	S	.	.			trans	-130.7	132.3	166.1	-177.2	163.9	0	0	0	109.3	E549 F553 Y577 V632 P634 Y680	E549-I678 HydrophobicContact CB-CB 4.34Å; E549-I678 HydrophobicContact CB-CD1 4.32Å; E549-I678 WeakPolarHBondContact O-CD1 3.48Å; F553-I678 HydrophobicContact CD2-CD1 4.05Å; F553-I678 HydrophobicContact CD2-CG2 4.05Å; F553-I678 HydrophobicContact CE2-CD1 4.48Å; F553-I678 HydrophobicContact CE2-CG2 3.41Å; F553-I678 VanDerWaalsContact CE2-CG2 3.41Å; F553-I678 HydrophobicContact CZ-CG2 4.02Å; Y577-I678 HydrophobicContact CE1-CB 4.5Å; Y577-I678 HydrophobicContact CE1-CG2 3.59Å; Y577-I678 PolarHBondContact OH-N 2.94Å; V632-I678 HydrophobicContact CG1-CD1 3.67Å; V632-I678 HydrophobicContact CG1-CG1 4.1Å; P634-I678 HydrophobicContact CB-CD1 3.85Å; P634-I678 HydrophobicContact CB-CG1 4.37Å; I678-Y680 HydrophobicContact CG2-CD1 4.43Å; I678-Y680 PolarHBondContact O-N 3.04Å
679	A	98.4	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.6	176.8	0	0	0	0	0	111.1	A633 I645 Y655 Y671 V673 F681	A633-A679 HydrophobicContact CB-CB 4.24Å; A633-A679 PolarHBondContact N-O 2.82Å; I645-A679 HydrophobicContact CD1-CB 3.5Å; Y655-A679 VanDerWaalsContact CE1-CA 3.48Å; Y655-A679 HydrophobicContact CE1-CB 3.96Å; Y671-A679 HydrophobicContact CD1-CB 4.36Å; Y671-A679 HydrophobicContact CE1-CB 4.07Å; V673-A679 HydrophobicContact CG2-CB 3.78Å; A679-F681 HydrophobicContact CB-CE2 4.11Å
680	Y	98.5	Very high	96.3	Very high	35 Å²	35	46.7 Å²	46.7	14%	0.137	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.6	166.8	70.3	-90.5	0	0	0	111.5	F553 L630 M631 Y655 I678	F553-Y680 AromaticContact CE1-CD1 3.88Å; F553-Y680 HydrophobicContact CE1-CD1 3.88Å; F553-Y680 HydrophobicContact CE1-CD2 4.42Å; F553-Y680 HydrophobicContact CE1-CE1 4.46Å; F553-Y680 AromaticContact CE1-CG 3.85Å; F553-Y680 HydrophobicContact CE1-CG 3.85Å; F553-Y680 HydrophobicContact CE2-CD1 4.5Å; F553-Y680 AromaticContact CZ-CD1 3.51Å; F553-Y680 HydrophobicContact CZ-CD1 3.51Å; F553-Y680 AromaticContact CZ-CE1 3.88Å; F553-Y680 HydrophobicContact CZ-CE1 3.88Å; F553-Y680 AromaticContact CZ-CG 3.99Å; F553-Y680 HydrophobicContact CZ-CG 3.99Å; L630-Y680 HydrophobicContact CD1-CD2 3.71Å; L630-Y680 HydrophobicContact CD1-CG 4.23Å; M631-Y680 CarbonylContact O-C 3.6Å; M631-Y680 WeakPolarHBondContact O-CA 3.38Å; M631-Y680 WeakPolarHBondContact O-CB 3.41Å; Y655-Y680 HydrophobicContact CG-CD1 4.21Å; Y655-Y680 HydrophobicContact CG-CE1 4.07Å; Y655-Y680 PolarHBondContact N-O 3.46Å; I678-Y680 HydrophobicContact CG2-CD1 4.43Å; I678-Y680 PolarHBondContact O-N 3.04Å
681	F	98.5	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.7	-174.4	-58.1	-102.2	0	0	0	109.4	M631 I645 L647 W652 R653 F660 L668 Y671 A679	M631-F681 HydrophobicContact CB-CB 4.42Å; M631-F681 HydrophobicContact CE-CD2 3.53Å; M631-F681 HydrophobicContact CE-CE2 4Å; M631-F681 HydrophobicContact CE-CG 4.21Å; M631-F681 PolarHBondContact N-O 3.09Å; M631-F681 PolarHBondContact O-N 2.79Å; I645-F681 HydrophobicContact CD1-CE2 3.95Å; I645-F681 HydrophobicContact CD1-CZ 4.02Å; I645-F681 HydrophobicContact CG2-CE2 3.8Å; I645-F681 HydrophobicContact CG2-CZ 4.02Å; L647-F681 HydrophobicContact CD1-CD1 4.39Å; L647-F681 HydrophobicContact CD1-CE1 4.15Å; L647-F681 HydrophobicContact CD2-CB 4.29Å; L647-F681 HydrophobicContact CD2-CD1 3.77Å; L647-F681 HydrophobicContact CD2-CD2 4.14Å; L647-F681 HydrophobicContact CD2-CE1 4.1Å; L647-F681 HydrophobicContact CD2-CE2 4.45Å; L647-F681 HydrophobicContact CD2-CG 3.8Å; L647-F681 HydrophobicContact CD2-CZ 4.44Å; W652-F681 HydrophobicContact CE3-CB 3.88Å; R653-F681 CarbonylContact O-C 3.59Å; R653-F681 VanDerWaalsContact O-CA 3.31Å; R653-F681 WeakPolarHBondContact O-CA 3.44Å; F660-F681 HydrophobicContact CD2-CE1 4.46Å; F660-F681 HydrophobicContact CE2-CD1 4.36Å; F660-F681 AromaticContact CE2-CE1 3.95Å; F660-F681 HydrophobicContact CE2-CE1 3.95Å; L668-F681 HydrophobicContact CD1-CE1 4.36Å; L668-F681 HydrophobicContact CD1-CZ 4.27Å; Y671-F681 HydrophobicContact CE2-CZ 4.46Å; A679-F681 HydrophobicContact CB-CE2 4.11Å
682	L	97.6	Very high	96.1	Very high	50 Å²	50	45.5 Å²	45.5	26%	0.262	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.4	174.9	-67.8	168.5	0	0	0	109.6	D629 L630 W652 R653	D629-L682 CarbonylContact O-C 3.56Å; D629-L682 WeakPolarHBondContact O-CA 3.32Å; L630-L682 HydrophobicContact CB-CD2 4.21Å; L630-L682 HydrophobicContact CD1-CD2 3.87Å; L630-L682 HydrophobicContact CG-CD2 4.49Å; W652-L682 CarbonylContact C-O 3.6Å; W652-L682 WeakPolarHBondContact CA-O 3.14Å; R653-L682 PolarHBondContact N-O 2.88Å; R653-L682 PolarHBondContact O-N 2.95Å
683	W	93.9	Very high	96	Very high	110 Å²	110	43.3 Å²	43.3	42%	0.417	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.5	164.8	-163.8	-68.8	0	0	0	109.2	I610 D629 H651 W652	I610-W683 HydrophobicContact CD1-CZ3 4.24Å; D629-W683 HydrophobicContact CB-CB 4.02Å; D629-W683 PolarHBondContact O-N 3.42Å; H651-W683 VanDerWaalsContact O-CA 3.32Å; H651-W683 WeakPolarHBondContact O-CA 3.16Å; W652-W683 HydrophobicContact CD2-CE3 4.3Å; W652-W683 AromaticContact CE2-CE3 3.79Å; W652-W683 AromaticContact CE2-CZ3 3.93Å; W652-W683 HydrophobicContact CE3-CB 4.48Å; W652-W683 HydrophobicContact CE3-CE3 4.44Å; W652-W683 AromaticContact CH2-CE3 3.68Å; W652-W683 HydrophobicContact CH2-CE3 3.68Å; W652-W683 HydrophobicContact CH2-CZ3 4.21Å; W652-W683 AromaticContact CZ2-CE3 3.48Å; W652-W683 HydrophobicContact CZ2-CE3 3.48Å; W652-W683 VanDerWaalsContact CZ2-CE3 3.48Å; W652-W683 AromaticContact CZ2-CZ3 3.61Å; W652-W683 HydrophobicContact CZ2-CZ3 3.61Å; W652-W683 HydrophobicContact CZ3-CB 4.35Å; W652-W683 HydrophobicContact CZ3-CE3 4.15Å
684	V	90	Very high	95.8	Very high	102 Å²	102	47.2 Å²	47.2	62%	0.618	24%	0.235	S	C	*	.			trans	-133.6	0	-173.4	-69.4	0	0	0	0	114.4	H651 R653	H651-V684 HydrophobicContact CB-CG2 4.17Å; H651-V684 WeakPolarHBondContact CB-O 3.4Å; H651-V684 PolarHBondContact O-N 2.73Å; R653-V684 HydrophobicContact CB-CG1 3.68Å; R653-V684 HydrophobicContact CB-CG2 4.18Å

Retrieved 684 of 684 residues in 894.9 ms (Link to these results)

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