A0A077ZBG9_TRITR Loading...

Gram pos anchor and C-term anchor and Big 3 domai n containing protein

AlphaFold DB , UniProt , Accession A0A077ZBG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 662 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	37.9	Very low	40.1	Very low	241 Å²	241	148 Å²	148	100%	1.187	84%	0.839	S	S	*	*				0	77.9	0	-179.4	-178.5	172.6	0	0	109.2
2	V	37.1	Very low	40.6	Very low	127 Å²	127	145.5 Å²	145.5	77%	0.77	83%	0.832	S	S	*	*			trans	-151.5	126.4	161.3	179.9	0	0	0	0	105
3	P	42.4	Very low	40.8	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85.8	136.3	173.4	33	-30.8	0	0	0	110.5
4	L	41	Very low	40.7	Very low	164 Å²	164	143.7 Å²	143.7	86%	0.859	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.8	130.4	167.1	-89	69.1	0	0	0	109
5	Q	41.3	Very low	40.8	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.7	138.8	170.2	-69.2	173.3	-82.4	0	0	109.8	E7	Q5-E7 PolarHBondContact O-N 3.37Å
6	T	41.1	Very low	41	Very low	131 Å²	131	144.2 Å²	144.2	80%	0.804	82%	0.822	S	S	*	*			trans	-86.2	96.1	174.2	50.7	0	0	0	0	110	T8	T6-T8 PolarHBondContact O-N 3Å
7	E	40.7	Very low	41.1	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	82%	0.824	S	S	*	*			trans	-73.6	109	170.2	-68.3	-170	145.6	0	0	110.3	Q5 S9	Q5-E7 PolarHBondContact O-N 3.37Å; E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 3.27Å
8	T	40.5	Very low	41.4	Very low	129 Å²	129	148.2 Å²	148.2	79%	0.791	82%	0.824	S	S	*	*			trans	-77.3	83	173.6	51.6	0	0	0	0	110	T6 S10	T6-T8 PolarHBondContact O-N 3Å; T8-S10 PolarHBondContact O-N 3.11Å; T8-S10 VanDerWaalsContact O-N 3.11Å
9	S	40.1	Very low	42.1	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	81%	0.811	S	S	*	*			trans	-62.2	109.4	174	-175.7	0	0	0	0	110.7	E7 T11	E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 3.27Å; S9-T11 PolarHBondContact O-N 3.26Å
10	S	40.3	Very low	43.2	Very low	108 Å²	108	140 Å²	140	76%	0.755	80%	0.797	S	S	*	*			trans	-77.1	101.8	174.4	55.6	0	0	0	0	110	T8 P12	T8-S10 PolarHBondContact O-N 3.11Å; T8-S10 VanDerWaalsContact O-N 3.11Å; S10-P12 WeakPolarHBondContact O-CD 3.37Å
11	T	38.7	Very low	45.3	Very low	130 Å²	130	137.4 Å²	137.4	80%	0.798	78%	0.781	S	S	*	*			trans	-61.6	119.4	171.6	25.5	0	0	0	0	110.3	S9 S13	S9-T11 PolarHBondContact O-N 3.26Å; T11-S13 PolarHBondContact O-N 3.14Å
12	P	46.1	Very low	47.9	Very low	118 Å²	118	127 Å²	127	77%	0.766	73%	0.73	S	S	*	*			trans	-69.1	123.1	175.2	28.4	-32.7	0	0	0	109.2	S10 I14	S10-P12 WeakPolarHBondContact O-CD 3.37Å; P12-I14 PolarHBondContact O-N 3.31Å; P12-I14 VanDerWaalsContact O-N 3.14Å
13	S	42.9	Very low	50.6	Low	115 Å²	115	125.1 Å²	125.1	80%	0.804	72%	0.715	S	S	*	*			trans	-61.9	114.1	172.6	52.2	0	0	0	0	109.5	T11	T11-S13 PolarHBondContact O-N 3.14Å
14	I	39.5	Very low	53.1	Low	151 Å²	151	123.5 Å²	123.5	77%	0.774	71%	0.712	S	S	*	*			trans	-55.8	128.1	165.3	-61	173.2	0	0	0	106.3	P12 E16	P12-I14 PolarHBondContact O-N 3.31Å; P12-I14 VanDerWaalsContact O-N 3.14Å; I14-E16 PolarHBondContact O-N 2.8Å
15	P	42.9	Very low	55.6	Low	112 Å²	112	116.8 Å²	116.8	73%	0.727	68%	0.675	S	S	*	*			trans	-65.1	113	177.9	26.5	-32.8	0	0	0	108.3	T17	P15-T17 PolarHBondContact O-N 3.23Å
16	E	43.5	Very low	58.3	Low	183 Å²	183	108 Å²	108	86%	0.855	63%	0.634	S	S	*	*			trans	-53.3	128	167.6	-68	-177.7	134.3	0	0	107.9	I14 R18	I14-E16 PolarHBondContact O-N 2.8Å; E16-R18 PolarHBondContact O-N 3.03Å
17	T	42.6	Very low	60.9	Low	140 Å²	140	104.9 Å²	104.9	86%	0.859	62%	0.616	S	S	*	*			trans	-66.3	85.7	170.8	44.9	0	0	0	0	107.7	P15 A19	P15-T17 PolarHBondContact O-N 3.23Å; T17-A19 PolarHBondContact O-N 3.48Å
18	R	46.5	Very low	63.6	Low	220 Å²	220	96.5 Å²	96.5	83%	0.83	58%	0.577	S	S	*	*			trans	-41.9	112.3	-179.3	177.7	-178.8	177	-170.5	-2.2	108.6	E16 A20	E16-R18 PolarHBondContact O-N 3.03Å; R18-A20 PolarHBondContact O-N 3.42Å
19	A	55.1	Low	66.3	Low	68 Å²	68	94 Å²	94	56%	0.562	56%	0.563	S	S	*	*			trans	-50.2	128.2	-179.1	0	0	0	0	0	109	T17 D21	T17-A19 PolarHBondContact O-N 3.48Å; A19-D21 PolarHBondContact O-N 3.04Å
20	A	64.5	Low	69	Low	65 Å²	65	90.2 Å²	90.2	54%	0.537	54%	0.536	S	S	.	.			trans	-60	122.8	-174.8	0	0	0	0	0	109	R18 I22 W25	R18-A20 PolarHBondContact O-N 3.42Å; A20-I22 PolarHBondContact O-N 3.25Å; A20-I22 VanDerWaalsContact O-N 3.1Å; A20-W25 PolarHBondContact O-NE1 3.33Å
21	D	87.4	Confident	71.7	Confident	86 Å²	86	85.1 Å²	85.1	46%	0.46	50%	0.5	S	S	.	.			trans	-45.1	118.4	-175.4	-173	-21	0	0	0	110.1	A19 N23 A24 W25	A19-D21 PolarHBondContact O-N 3.04Å; D21-N23 PolarHBondContact O-N 2.63Å; D21-N23 VanDerWaalsContact O-N 3.14Å; D21-N23 WeakPolarHBondContact OD1-CB 3.41Å; D21-N23 PolarHBondContact OD1-N 2.98Å; D21-N23 VanDerWaalsContact OD1-N 3.11Å; D21-N23 PolarHBondContact OD1-ND2 2.71Å; D21-A24 HydrophobicContact CB-CB 4.49Å; D21-A24 VanDerWaalsContact O-CB 3.28Å; D21-A24 WeakPolarHBondContact O-CB 3.49Å; D21-A24 PolarHBondContact O-N 2.69Å; D21-W25 PolarHBondContact O-NE1 2.88Å
22	I	92.3	Very high	74.5	Confident	23 Å²	23	79.3 Å²	79.3	12%	0.118	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-56.8	-33.8	-173.8	-172.3	169.4	0	0	0	111.6	A20 A24 W25 I26 Q32 K43 L46	A20-I22 PolarHBondContact O-N 3.25Å; A20-I22 VanDerWaalsContact O-N 3.1Å; I22-A24 PolarHBondContact O-N 2.79Å; I22-A24 VanDerWaalsContact O-N 3.14Å; I22-W25 HydrophobicContact CB-CZ2 4.45Å; I22-W25 HydrophobicContact CG1-CH2 4.46Å; I22-W25 HydrophobicContact CG1-CZ2 4.07Å; I22-W25 PolarHBondContact O-N 2.91Å; I22-W25 VanDerWaalsContact O-N 3.08Å; I22-I26 HydrophobicContact CG1-CB 4.29Å; I22-I26 CarbonylContact O-C 3.38Å; I22-I26 PolarHBondContact O-N 3.11Å; I22-I26 VanDerWaalsContact O-O 3.1Å; I22-Q32 HydrophobicContact CD1-CB 3.96Å; I22-Q32 HydrophobicContact CD1-CG 3.58Å; I22-Q32 HydrophobicContact CG1-CG 3.82Å; I22-K43 HydrophobicContact CD1-CB 4.3Å; I22-K43 WeakPolarHBondContact CD1-O 3.4Å; I22-L46 HydrophobicContact CD1-CB 4.04Å; I22-L46 HydrophobicContact CD1-CD1 3.73Å
23	N	94	Very high	76.9	Confident	86 Å²	86	78 Å²	78	46%	0.46	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-65.2	-18.9	178.7	-53.2	-73.2	0	0	0	113.1	D21 P27 Q32	D21-N23 PolarHBondContact O-N 2.63Å; D21-N23 VanDerWaalsContact O-N 3.14Å; D21-N23 WeakPolarHBondContact OD1-CB 3.41Å; D21-N23 PolarHBondContact OD1-N 2.98Å; D21-N23 VanDerWaalsContact OD1-N 3.11Å; D21-N23 PolarHBondContact OD1-ND2 2.71Å; N23-P27 WeakPolarHBondContact O-CA 3.37Å; N23-Q32 PolarHBondContact OD1-NE2 3.31Å
24	A	93.3	Very high	79.4	Confident	84 Å²	84	73 Å²	73	69%	0.694	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-81.6	-13.7	176.9	0	0	0	0	0	113.7	D21 I22	D21-A24 HydrophobicContact CB-CB 4.49Å; D21-A24 VanDerWaalsContact O-CB 3.28Å; D21-A24 WeakPolarHBondContact O-CB 3.49Å; D21-A24 PolarHBondContact O-N 2.69Å; I22-A24 PolarHBondContact O-N 2.79Å; I22-A24 VanDerWaalsContact O-N 3.14Å
25	W	94.5	Very high	82.2	Confident	23 Å²	23	65.8 Å²	65.8	9%	0.087	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-26.3	-179	56.3	-84.6	0	0	0	114.9	A20 D21 I22 L46 Q48 M51 G71 L74	A20-W25 PolarHBondContact O-NE1 3.33Å; D21-W25 PolarHBondContact O-NE1 2.88Å; I22-W25 HydrophobicContact CB-CZ2 4.45Å; I22-W25 HydrophobicContact CG1-CH2 4.46Å; I22-W25 HydrophobicContact CG1-CZ2 4.07Å; I22-W25 PolarHBondContact O-N 2.91Å; I22-W25 VanDerWaalsContact O-N 3.08Å; W25-L46 HydrophobicContact CH2-CB 4.21Å; W25-Q48 HydrophobicContact CD2-CG 3.57Å; W25-Q48 HydrophobicContact CE3-CG 3.74Å; W25-Q48 HydrophobicContact CG-CG 4.02Å; W25-Q48 VanDerWaalsContact CG-NE2 3.3Å; W25-Q48 HydrophobicContact CH2-CG 4.32Å; W25-Q48 HydrophobicContact CZ2-CG 4.17Å; W25-Q48 HydrophobicContact CZ3-CG 4.11Å; W25-M51 HydrophobicContact CZ3-CG 3.77Å; W25-M51 HydrophobicContact CZ3-SD 3.91Å; W25-G71 WeakPolarHBondContact O-CA 3.43Å; W25-L74 HydrophobicContact CE3-CD1 3.74Å; W25-L74 HydrophobicContact CZ3-CD1 4.37Å
26	I	96.9	Very high	84.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.34	C	S	.	.			trans	-119.8	91.4	158.3	-61.1	170.9	0	0	0	107.5	I22 D28 L31 Q32 V35 M51	I22-I26 HydrophobicContact CG1-CB 4.29Å; I22-I26 CarbonylContact O-C 3.38Å; I22-I26 PolarHBondContact O-N 3.11Å; I22-I26 VanDerWaalsContact O-O 3.1Å; I26-D28 VanDerWaalsContact C-N 3.31Å; I26-D28 PolarHBondContact O-N 2.66Å; I26-L31 HydrophobicContact CG2-CB 3.89Å; I26-L31 HydrophobicContact CG2-CD2 3.92Å; I26-L31 HydrophobicContact CG2-CG 3.82Å; I26-Q32 HydrophobicContact CB-CG 4.06Å; I26-Q32 HydrophobicContact CG2-CG 3.65Å; I26-Q32 PolarHBondContact O-NE2 3.2Å; I26-V35 HydrophobicContact CD1-CG1 4.23Å; I26-M51 HydrophobicContact CD1-CE 4.04Å; I26-M51 HydrophobicContact CD1-SD 3.96Å
27	P	96.6	Very high	87.3	Confident	65 Å²	65	59.4 Å²	59.4	42%	0.422	33%	0.333	S	S	.	.			trans	-71.2	-21.9	-175.8	-20.5	34.2	0	0	0	114.6	N23 K70	N23-P27 WeakPolarHBondContact O-CA 3.37Å; P27-K70 WeakPolarHBondContact CD-O 3.47Å; P27-K70 HydrophobicContact CG-CB 4.39Å; P27-K70 HydrophobicContact CG-CG 4Å
28	D	97.6	Very high	89.9	Confident	11 Å²	11	55.4 Å²	55.4	6%	0.059	31%	0.314	C	S	.	.			trans	-86.9	116.3	-178.2	-173.9	-56.1	0	0	0	110.8	I26 V30 L31 Q32 A67 S68	I26-D28 VanDerWaalsContact C-N 3.31Å; I26-D28 PolarHBondContact O-N 2.66Å; D28-V30 VanDerWaalsContact C-N 3.26Å; D28-V30 PolarHBondContact O-N 2.89Å; D28-V30 WeakPolarHBondContact OD1-CA 3.38Å; D28-V30 WeakPolarHBondContact OD1-CB 3.47Å; D28-V30 PolarHBondContact OD1-N 3.05Å; D28-L31 HydrophobicContact CB-CB 3.92Å; D28-L31 PolarHBondContact O-N 3.26Å; D28-L31 PolarHBondContact OD1-N 3.28Å; D28-Q32 WeakPolarHBondContact O-CG 3.46Å; D28-Q32 PolarHBondContact O-N 3.24Å; D28-A67 PolarHBondContact OD2-N 3.07Å; D28-S68 PolarHBondContact OD2-N 3.14Å
29	P	96.4	Very high	92.3	Very high	77 Å²	77	46.6 Å²	46.6	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-70.5	-20.3	-175.1	29.8	-35.9	0	0	0	113.4	E33	P29-E33 WeakPolarHBondContact O-CG 3.38Å; P29-E33 PolarHBondContact O-N 3.18Å
30	V	96.8	Very high	94.2	Very high	30 Å²	30	46.6 Å²	46.6	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-76.4	-42.6	174.1	-168.1	0	0	0	0	108.9	D28 Q32 E33 I34 D63 A65 I66	D28-V30 VanDerWaalsContact C-N 3.26Å; D28-V30 PolarHBondContact O-N 2.89Å; D28-V30 WeakPolarHBondContact OD1-CA 3.38Å; D28-V30 WeakPolarHBondContact OD1-CB 3.47Å; D28-V30 PolarHBondContact OD1-N 3.05Å; V30-Q32 VanDerWaalsContact C-N 3.29Å; V30-Q32 PolarHBondContact O-N 3.46Å; V30-E33 PolarHBondContact O-N 2.84Å; V30-I34 HydrophobicContact CG1-CD1 4.17Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.38Å; V30-I34 PolarHBondContact O-N 3.21Å; V30-D63 HydrophobicContact CG1-CB 4.17Å; V30-A65 HydrophobicContact CG2-CB 3.94Å; V30-I66 HydrophobicContact CB-CB 3.97Å; V30-I66 HydrophobicContact CB-CG1 4.47Å; V30-I66 HydrophobicContact CG1-CB 4.04Å
31	L	97.6	Very high	95.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-38.6	172.6	-173.9	57.4	0	0	0	112.1	I26 D28 E33 I34 V35 L57 I66	I26-L31 HydrophobicContact CG2-CB 3.89Å; I26-L31 HydrophobicContact CG2-CD2 3.92Å; I26-L31 HydrophobicContact CG2-CG 3.82Å; D28-L31 HydrophobicContact CB-CB 3.92Å; D28-L31 PolarHBondContact O-N 3.26Å; D28-L31 PolarHBondContact OD1-N 3.28Å; L31-E33 PolarHBondContact O-N 2.8Å; L31-I34 PolarHBondContact O-N 3.23Å; L31-V35 HydrophobicContact CD1-CG2 3.79Å; L31-V35 HydrophobicContact CG-CG2 4.13Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.43Å; L31-V35 VanDerWaalsContact O-CG2 3.27Å; L31-V35 WeakPolarHBondContact O-CG2 3.23Å; L31-V35 PolarHBondContact O-N 3.14Å; L31-L57 HydrophobicContact CD1-CD2 4.25Å; L31-I66 HydrophobicContact CB-CD1 3.82Å; L31-I66 HydrophobicContact CB-CG1 4.47Å; L31-I66 HydrophobicContact CD1-CD1 4.02Å; L31-I66 HydrophobicContact CG-CD1 4.42Å
32	Q	97.4	Very high	96	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-48	173.4	-66.4	175.7	15.5	0	0	111.9	I22 N23 I26 D28 V30 A36 K43	I22-Q32 HydrophobicContact CD1-CB 3.96Å; I22-Q32 HydrophobicContact CD1-CG 3.58Å; I22-Q32 HydrophobicContact CG1-CG 3.82Å; N23-Q32 PolarHBondContact OD1-NE2 3.31Å; I26-Q32 HydrophobicContact CB-CG 4.06Å; I26-Q32 HydrophobicContact CG2-CG 3.65Å; I26-Q32 PolarHBondContact O-NE2 3.2Å; D28-Q32 WeakPolarHBondContact O-CG 3.46Å; D28-Q32 PolarHBondContact O-N 3.24Å; V30-Q32 VanDerWaalsContact C-N 3.29Å; V30-Q32 PolarHBondContact O-N 3.46Å; Q32-A36 WeakPolarHBondContact O-CB 3.45Å; Q32-A36 PolarHBondContact O-N 2.78Å; Q32-K43 HydrophobicContact CB-CB 4.22Å
33	E	96.1	Very high	96	Very high	89 Å²	89	49 Å²	49	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-41.4	-179.8	-63.3	-73.8	-168.9	0	0	112.1	P29 V30 L31 A36 K37 K43	P29-E33 WeakPolarHBondContact O-CG 3.38Å; P29-E33 PolarHBondContact O-N 3.18Å; V30-E33 PolarHBondContact O-N 2.84Å; L31-E33 PolarHBondContact O-N 2.8Å; E33-A36 PolarHBondContact O-N 3.46Å; E33-K37 WeakPolarHBondContact O-CB 3.48Å; E33-K37 PolarHBondContact O-N 2.86Å; E33-K43 WeakPolarHBondContact OE1-CD 3.15Å; E33-K43 WeakPolarHBondContact OE1-CE 3.43Å; E33-K43 IonicContact OE1-NZ 3.76Å; E33-K43 PolarHBondContact OE1-NZ 3.21Å
34	I	97	Very high	95.8	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-47	177.4	-58.7	163.2	0	0	0	110.4	V30 L31 K37 A38 L57 Y58 I59 D63 I66	V30-I34 HydrophobicContact CG1-CD1 4.17Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.38Å; V30-I34 PolarHBondContact O-N 3.21Å; L31-I34 PolarHBondContact O-N 3.23Å; I34-K37 PolarHBondContact O-N 2.85Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 3.38Å; I34-L57 HydrophobicContact CG2-CD1 3.53Å; I34-Y58 WeakPolarHBondContact CG2-O 3.32Å; I34-I59 HydrophobicContact CD1-CG1 4.33Å; I34-D63 HydrophobicContact CD1-CB 3.91Å; I34-D63 HydrophobicContact CG1-CB 4.47Å; I34-I66 HydrophobicContact CD1-CD1 4.04Å
35	V	97.9	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-42.8	179.3	168.8	0	0	0	0	111.1	I26 L31 K37 A38 I39 L46 M51 L54 L57	I26-V35 HydrophobicContact CD1-CG1 4.23Å; L31-V35 HydrophobicContact CD1-CG2 3.79Å; L31-V35 HydrophobicContact CG-CG2 4.13Å; L31-V35 VanDerWaalsContact O-CB 3.3Å; L31-V35 WeakPolarHBondContact O-CB 3.43Å; L31-V35 VanDerWaalsContact O-CG2 3.27Å; L31-V35 WeakPolarHBondContact O-CG2 3.23Å; L31-V35 PolarHBondContact O-N 3.14Å; V35-K37 PolarHBondContact O-N 3.34Å; V35-A38 PolarHBondContact O-N 2.74Å; V35-I39 HydrophobicContact CG1-CD1 3.63Å; V35-I39 WeakPolarHBondContact O-CB 3.38Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 2.91Å; V35-L46 HydrophobicContact CB-CD1 4.39Å; V35-L46 HydrophobicContact CG1-CD1 3.93Å; V35-L46 HydrophobicContact CG1-CD2 4.27Å; V35-M51 HydrophobicContact CG1-CE 4.2Å; V35-M51 HydrophobicContact CG1-SD 3.6Å; V35-L54 HydrophobicContact CG2-CD2 4.4Å; V35-L57 HydrophobicContact CG2-CD1 4.32Å
36	A	97	Very high	95.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-48.8	176.1	0	0	0	0	0	111.3	Q32 E33 A38 I39 G40 K41 K43 L46	Q32-A36 WeakPolarHBondContact O-CB 3.45Å; Q32-A36 PolarHBondContact O-N 2.78Å; E33-A36 PolarHBondContact O-N 3.46Å; A36-A38 PolarHBondContact O-N 3.49Å; A36-I39 PolarHBondContact O-N 3.11Å; A36-G40 PolarHBondContact O-N 3.37Å; A36-K41 CarbonylContact C-O 3.6Å; A36-K41 WeakPolarHBondContact CB-O 3.37Å; A36-K41 PolarHBondContact O-N 3.48Å; A36-K41 VanDerWaalsContact O-O 3.12Å; A36-K43 HydrophobicContact CB-CB 4.33Å; A36-L46 HydrophobicContact CB-CD1 3.81Å; A36-L46 HydrophobicContact CB-CG 4.12Å
37	K	96.3	Very high	95.8	Very high	161 Å²	161	51.3 Å²	51.3	70%	0.7	30%	0.296	S	S	*	.	H	α-helix	trans	-61.4	-41.2	176.7	179.3	-177.3	174.8	-171.6	0	112.8	E33 I34 V35 G40	E33-K37 WeakPolarHBondContact O-CB 3.48Å; E33-K37 PolarHBondContact O-N 2.86Å; I34-K37 PolarHBondContact O-N 2.85Å; V35-K37 PolarHBondContact O-N 3.34Å; K37-G40 PolarHBondContact O-N 3.14Å
38	A	97	Very high	95.7	Very high	56 Å²	56	53 Å²	53	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-34.7	178	0	0	0	0	0	112.8	I34 V35 A36 L54	I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 3.38Å; V35-A38 PolarHBondContact O-N 2.74Å; A36-A38 PolarHBondContact O-N 3.49Å; A38-L54 HydrophobicContact CB-CD1 3.56Å
39	I	96.3	Very high	95.6	Very high	34 Å²	34	59.4 Å²	59.4	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-84.2	-16.5	178.9	-70.1	169.7	0	0	0	112.3	V35 A36 K41 L46 D50 L54	V35-I39 HydrophobicContact CG1-CD1 3.63Å; V35-I39 WeakPolarHBondContact O-CB 3.38Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 2.91Å; A36-I39 PolarHBondContact O-N 3.11Å; I39-K41 HydrophobicContact CG2-CB 4.47Å; I39-K41 HydrophobicContact CG2-CD 3.99Å; I39-K41 HydrophobicContact CG2-CG 4.13Å; I39-L46 HydrophobicContact CB-CD2 4.34Å; I39-L46 HydrophobicContact CD1-CD2 3.82Å; I39-L46 HydrophobicContact CG2-CD2 4.25Å; I39-D50 HydrophobicContact CD1-CB 4.07Å; I39-D50 WeakPolarHBondContact CD1-O 3.29Å; I39-D50 HydrophobicContact CG2-CB 4.08Å; I39-L54 HydrophobicContact CG1-CD1 4.31Å
40	G	96.3	Very high	95.6	Very high	69 Å²	69	55.9 Å²	55.9	71%	0.711	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	33.4	-177.6	0	0	0	0	0	113.9	A36 K37	A36-G40 PolarHBondContact O-N 3.37Å; K37-G40 PolarHBondContact O-N 3.14Å
41	K	95.3	Very high	95.6	Very high	79 Å²	79	54.5 Å²	54.5	34%	0.343	30%	0.297	S	S	.	.	S	Bend	trans	-125.3	172.2	-179.8	-78.3	-176.3	157	-161.8	0	111.4	A36 I39 A45 L46 D50	A36-K41 CarbonylContact C-O 3.6Å; A36-K41 WeakPolarHBondContact CB-O 3.37Å; A36-K41 PolarHBondContact O-N 3.48Å; A36-K41 VanDerWaalsContact O-O 3.12Å; I39-K41 HydrophobicContact CG2-CB 4.47Å; I39-K41 HydrophobicContact CG2-CD 3.99Å; I39-K41 HydrophobicContact CG2-CG 4.13Å; K41-A45 HydrophobicContact CB-CB 4.47Å; K41-A45 WeakPolarHBondContact CD-O 3.45Å; K41-A45 WeakPolarHBondContact CE-O 3.47Å; K41-A45 PolarHBondContact NZ-O 3.36Å; K41-L46 HydrophobicContact CB-CD2 4.37Å; K41-L46 HydrophobicContact CD-CD2 4.29Å; K41-D50 WeakPolarHBondContact CE-OD1 3.32Å; K41-D50 IonicContact NZ-OD1 3.78Å; K41-D50 PolarHBondContact NZ-OD1 3.49Å; K41-D50 IonicContact NZ-OD2 3.93Å; K41-D50 PolarHBondContact NZ-OD2 2.93Å
42	T	94.3	Very high	95.5	Very high	82 Å²	82	56.7 Å²	56.7	50%	0.503	31%	0.312	S	S	.	.			trans	-88.2	159.2	157.8	80.6	0	0	0	0	109.4	E44 A45 L46	T42-E44 WeakPolarHBondContact CB-OE2 3.35Å; T42-E44 PolarHBondContact O-N 3.27Å; T42-E44 PolarHBondContact OG1-OE2 2.74Å; T42-A45 PolarHBondContact O-N 2.99Å; T42-L46 PolarHBondContact O-N 3.03Å
43	K	91.8	Very high	95.5	Very high	62 Å²	62	61.8 Å²	61.8	27%	0.27	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.8	-32	-180	64.5	-172.3	170.3	-157.5	0	113.4	I22 Q32 E33 A36 A45 L46	I22-K43 HydrophobicContact CD1-CB 4.3Å; I22-K43 WeakPolarHBondContact CD1-O 3.4Å; Q32-K43 HydrophobicContact CB-CB 4.22Å; E33-K43 WeakPolarHBondContact OE1-CD 3.15Å; E33-K43 WeakPolarHBondContact OE1-CE 3.43Å; E33-K43 IonicContact OE1-NZ 3.76Å; E33-K43 PolarHBondContact OE1-NZ 3.21Å; A36-K43 HydrophobicContact CB-CB 4.33Å; K43-A45 PolarHBondContact O-N 3.34Å; K43-L46 PolarHBondContact O-N 3.34Å
44	E	90.3	Very high	95.6	Very high	135 Å²	135	57.8 Å²	57.8	63%	0.631	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-70.4	-19.6	177.1	-52	75.9	-165.3	0	0	112.5	T42	T42-E44 WeakPolarHBondContact CB-OE2 3.35Å; T42-E44 PolarHBondContact O-N 3.27Å; T42-E44 PolarHBondContact OG1-OE2 2.74Å
45	A	93.7	Very high	95.7	Very high	46 Å²	46	60.7 Å²	60.7	38%	0.38	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-99.6	-1.1	178.9	0	0	0	0	0	113.5	K41 T42 K43	K41-A45 HydrophobicContact CB-CB 4.47Å; K41-A45 WeakPolarHBondContact CD-O 3.45Å; K41-A45 WeakPolarHBondContact CE-O 3.47Å; K41-A45 PolarHBondContact NZ-O 3.36Å; T42-A45 PolarHBondContact O-N 2.99Å; K43-A45 PolarHBondContact O-N 3.34Å
46	L	94.2	Very high	95.7	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	35%	0.347	C	S	.	.			trans	-72.5	143.4	175.8	-80	178.9	0	0	0	111.9	I22 W25 V35 A36 I39 K41 T42 K43 D50	I22-L46 HydrophobicContact CD1-CB 4.04Å; I22-L46 HydrophobicContact CD1-CD1 3.73Å; W25-L46 HydrophobicContact CH2-CB 4.21Å; V35-L46 HydrophobicContact CB-CD1 4.39Å; V35-L46 HydrophobicContact CG1-CD1 3.93Å; V35-L46 HydrophobicContact CG1-CD2 4.27Å; A36-L46 HydrophobicContact CB-CD1 3.81Å; A36-L46 HydrophobicContact CB-CG 4.12Å; I39-L46 HydrophobicContact CB-CD2 4.34Å; I39-L46 HydrophobicContact CD1-CD2 3.82Å; I39-L46 HydrophobicContact CG2-CD2 4.25Å; K41-L46 HydrophobicContact CB-CD2 4.37Å; K41-L46 HydrophobicContact CD-CD2 4.29Å; T42-L46 PolarHBondContact O-N 3.03Å; K43-L46 PolarHBondContact O-N 3.34Å; L46-D50 HydrophobicContact CD2-CB 4.37Å
47	T	95.1	Very high	95.7	Very high	54 Å²	54	62.5 Å²	62.5	33%	0.331	35%	0.347	S	S	.	.			trans	-133.2	161.7	172.9	69.7	0	0	0	0	110.1	E49 D50	T47-E49 PolarHBondContact O-N 2.95Å; T47-D50 WeakPolarHBondContact CB-OD2 3.17Å; T47-D50 PolarHBondContact N-OD2 3.31Å; T47-D50 WeakPolarHBondContact O-CB 3.43Å; T47-D50 PolarHBondContact O-N 3.22Å; T47-D50 PolarHBondContact OG1-N 3.05Å; T47-D50 PolarHBondContact OG1-OD2 2.67Å
48	Q	95.5	Very high	95.7	Very high	101 Å²	101	60 Å²	60	47%	0.472	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-61.6	-28.6	176.3	-65.3	-178.4	-3.7	0	0	112.6	W25 D50 M51 L74	W25-Q48 HydrophobicContact CD2-CG 3.57Å; W25-Q48 HydrophobicContact CE3-CG 3.74Å; W25-Q48 HydrophobicContact CG-CG 4.02Å; W25-Q48 VanDerWaalsContact CG-NE2 3.3Å; W25-Q48 HydrophobicContact CH2-CG 4.32Å; W25-Q48 HydrophobicContact CZ2-CG 4.17Å; W25-Q48 HydrophobicContact CZ3-CG 4.11Å; Q48-D50 VanDerWaalsContact C-N 3.31Å; Q48-D50 PolarHBondContact O-N 2.9Å; Q48-M51 WeakPolarHBondContact O-CB 3.29Å; Q48-M51 PolarHBondContact O-N 3.3Å; Q48-L74 HydrophobicContact CB-CD1 4.24Å; Q48-L74 HydrophobicContact CG-CD1 3.9Å
49	E	94.5	Very high	95.7	Very high	146 Å²	146	57.3 Å²	57.3	68%	0.682	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-65.3	-35	174.3	-168.7	-171.5	150.1	0	0	111.8	T47 M51 S52	T47-E49 PolarHBondContact O-N 2.95Å; E49-M51 PolarHBondContact O-N 2.98Å; E49-S52 WeakPolarHBondContact O-CB 3.15Å; E49-S52 PolarHBondContact O-N 2.9Å; E49-S52 PolarHBondContact O-OG 3.32Å
50	D	96.3	Very high	95.4	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-65.2	-24.8	178.6	-61.9	-68.2	0	0	0	113.1	I39 K41 L46 T47 Q48 S52 K53	I39-D50 HydrophobicContact CD1-CB 4.07Å; I39-D50 WeakPolarHBondContact CD1-O 3.29Å; I39-D50 HydrophobicContact CG2-CB 4.08Å; K41-D50 WeakPolarHBondContact CE-OD1 3.32Å; K41-D50 IonicContact NZ-OD1 3.78Å; K41-D50 PolarHBondContact NZ-OD1 3.49Å; K41-D50 IonicContact NZ-OD2 3.93Å; K41-D50 PolarHBondContact NZ-OD2 2.93Å; L46-D50 HydrophobicContact CD2-CB 4.37Å; T47-D50 WeakPolarHBondContact CB-OD2 3.17Å; T47-D50 PolarHBondContact N-OD2 3.31Å; T47-D50 WeakPolarHBondContact O-CB 3.43Å; T47-D50 PolarHBondContact O-N 3.22Å; T47-D50 PolarHBondContact OG1-N 3.05Å; T47-D50 PolarHBondContact OG1-OD2 2.67Å; Q48-D50 VanDerWaalsContact C-N 3.31Å; Q48-D50 PolarHBondContact O-N 2.9Å; D50-S52 PolarHBondContact O-N 2.99Å; D50-K53 HydrophobicContact CB-CD 4.4Å; D50-K53 VanDerWaalsContact O-CB 3.23Å; D50-K53 WeakPolarHBondContact O-CB 3.22Å; D50-K53 WeakPolarHBondContact O-CG 3.27Å; D50-K53 PolarHBondContact O-N 3.49Å; D50-K53 IonicContact OD1-NZ 3.94Å; D50-K53 PolarHBondContact OD1-NZ 3.49Å
51	M	97.2	Very high	95	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59.6	-30.6	177.7	-60.7	-59.7	-73.3	0	0	112.1	W25 I26 V35 Q48 E49 K53 L54 L74 A75	W25-M51 HydrophobicContact CZ3-CG 3.77Å; W25-M51 HydrophobicContact CZ3-SD 3.91Å; I26-M51 HydrophobicContact CD1-CE 4.04Å; I26-M51 HydrophobicContact CD1-SD 3.96Å; V35-M51 HydrophobicContact CG1-CE 4.2Å; V35-M51 HydrophobicContact CG1-SD 3.6Å; Q48-M51 WeakPolarHBondContact O-CB 3.29Å; Q48-M51 PolarHBondContact O-N 3.3Å; E49-M51 PolarHBondContact O-N 2.98Å; M51-K53 PolarHBondContact O-N 2.9Å; M51-K53 VanDerWaalsContact O-N 3.11Å; M51-L54 WeakPolarHBondContact O-CB 3.33Å; M51-L54 PolarHBondContact O-N 2.95Å; M51-L54 VanDerWaalsContact O-N 3.14Å; M51-L74 HydrophobicContact CB-CB 3.68Å; M51-L74 WeakPolarHBondContact CB-O 3.16Å; M51-L74 HydrophobicContact CE-CB 4.48Å; M51-L74 HydrophobicContact CG-CB 3.8Å; M51-L74 HydrophobicContact CG-CD1 4.33Å; M51-A75 HydrophobicContact CE-CB 4.39Å; M51-A75 WeakPolarHBondContact O-CA 3.34Å
52	S	96.3	Very high	94.7	Very high	46 Å²	46	62.1 Å²	62.1	32%	0.322	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64	-12.8	174.2	71.3	0	0	0	0	114.2	E49 D50 N77	E49-S52 WeakPolarHBondContact O-CB 3.15Å; E49-S52 PolarHBondContact O-N 2.9Å; E49-S52 PolarHBondContact O-OG 3.32Å; D50-S52 PolarHBondContact O-N 2.99Å; S52-N77 PolarHBondContact O-ND2 2.71Å
53	K	97.2	Very high	94.6	Very high	116 Å²	116	59.4 Å²	59.4	50%	0.504	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-91.6	-12.1	179.2	-53.2	168.3	-170.3	168.4	0	112.3	D50 M51 T55	D50-K53 HydrophobicContact CB-CD 4.4Å; D50-K53 VanDerWaalsContact O-CB 3.23Å; D50-K53 WeakPolarHBondContact O-CB 3.22Å; D50-K53 WeakPolarHBondContact O-CG 3.27Å; D50-K53 PolarHBondContact O-N 3.49Å; D50-K53 IonicContact OD1-NZ 3.94Å; D50-K53 PolarHBondContact OD1-NZ 3.49Å; M51-K53 PolarHBondContact O-N 2.9Å; M51-K53 VanDerWaalsContact O-N 3.11Å; K53-T55 PolarHBondContact O-N 3.44Å
54	L	98	Very high	94.5	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	32%	0.324	C	S	.	.			trans	-81.3	98.1	-177.8	-169.9	74.5	0	0	0	110.3	V35 A38 I39 M51 S56 L57 L72 A75 N77 L78	V35-L54 HydrophobicContact CG2-CD2 4.4Å; A38-L54 HydrophobicContact CB-CD1 3.56Å; I39-L54 HydrophobicContact CG1-CD1 4.31Å; M51-L54 WeakPolarHBondContact O-CB 3.33Å; M51-L54 PolarHBondContact O-N 2.95Å; M51-L54 VanDerWaalsContact O-N 3.14Å; L54-S56 WeakPolarHBondContact CD1-O 3.41Å; L54-L57 HydrophobicContact CD1-CD1 4.46Å; L54-L57 HydrophobicContact CD2-CB 4.46Å; L54-L57 HydrophobicContact CD2-CD1 4.32Å; L54-L72 HydrophobicContact CD2-CD1 3.83Å; L54-A75 HydrophobicContact CB-CB 4.23Å; L54-A75 HydrophobicContact CD2-CB 3.88Å; L54-N77 CarbonylContact O-C 3.51Å; L54-L78 HydrophobicContact CD2-CD1 4.02Å; L54-L78 HydrophobicContact CG-CD1 3.85Å; L54-L78 WeakPolarHBondContact O-CA 3.46Å; L54-L78 PolarHBondContact O-N 3.36Å
55	T	98	Very high	94.7	Very high	71 Å²	71	55.5 Å²	55.5	44%	0.436	32%	0.317	S	S	.	.			trans	-90.4	-30.2	175.4	57.5	0	0	0	0	113	K53 L78 D79 Y80	K53-T55 PolarHBondContact O-N 3.44Å; T55-L78 CarbonylContact O-C 3.31Å; T55-L78 WeakPolarHBondContact O-CA 3.49Å; T55-D79 PolarHBondContact O-N 2.76Å; T55-Y80 PolarHBondContact O-N 3.09Å
56	S	98.2	Very high	94.9	Very high	40 Å²	40	53.3 Å²	53.3	28%	0.28	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.4	176.7	57	0	0	0	0	112.1	L54 Y80	L54-S56 WeakPolarHBondContact CD1-O 3.41Å; S56-Y80 VanDerWaalsContact CA-O 3.27Å; S56-Y80 WeakPolarHBondContact CA-O 3.47Å
57	L	98	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.9	177.2	-174.4	65.9	0	0	0	109.8	L31 I34 V35 L54 L72 L78 Y80 F81 Y82	L31-L57 HydrophobicContact CD1-CD2 4.25Å; I34-L57 HydrophobicContact CG2-CD1 3.53Å; V35-L57 HydrophobicContact CG2-CD1 4.32Å; L54-L57 HydrophobicContact CD1-CD1 4.46Å; L54-L57 HydrophobicContact CD2-CB 4.46Å; L54-L57 HydrophobicContact CD2-CD1 4.32Å; L57-L72 HydrophobicContact CD2-CD1 3.76Å; L57-L72 HydrophobicContact CD2-CD2 3.8Å; L57-L72 HydrophobicContact CD2-CG 4.47Å; L57-L78 HydrophobicContact CB-CD1 3.87Å; L57-Y80 PolarHBondContact N-O 3.44Å; L57-F81 HydrophobicContact CB-CD2 4.43Å; L57-F81 HydrophobicContact CD2-CD2 4.09Å; L57-F81 HydrophobicContact CD2-CE2 3.93Å; L57-Y82 PolarHBondContact O-N 3Å
58	Y	96.9	Very high	95.1	Very high	108 Å²	108	54.6 Å²	54.6	42%	0.424	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.1	-178.1	-65.8	-93.8	0	0	0	110.4	I34 Y80 Y82	I34-Y58 WeakPolarHBondContact CG2-O 3.32Å; Y58-Y80 HydrophobicContact CD1-CE1 4.26Å; Y58-Y80 HydrophobicContact CE1-CD1 4.21Å; Y58-Y80 AromaticContact CE1-CE1 3.45Å; Y58-Y80 HydrophobicContact CE1-CE1 3.45Å; Y58-Y80 VanDerWaalsContact CE1-CE1 3.45Å; Y58-Y80 HydrophobicContact CE2-CD1 4.43Å; Y58-Y80 HydrophobicContact CE2-CE1 4.44Å; Y58-Y80 AromaticContact CZ-CD1 3.9Å; Y58-Y80 AromaticContact CZ-CE1 3.54Å; Y58-Y80 WeakPolarHBondContact OH-CE1 3.3Å; Y58-Y82 CarbonylContact C-O 3.58Å; Y58-Y82 WeakPolarHBondContact CA-O 3.49Å; Y58-Y82 AromaticContact CD1-CD1 3.91Å; Y58-Y82 HydrophobicContact CD1-CD1 3.91Å; Y58-Y82 AromaticContact CD1-CG 3.97Å; Y58-Y82 HydrophobicContact CD1-CG 3.97Å; Y58-Y82 HydrophobicContact CE1-CG 4.36Å
59	I	96	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.4	172	-53.8	174.9	0	0	0	107.6	I34 D63 I66 L69 F81 Y82 M83 N84 I89	I34-I59 HydrophobicContact CD1-CG1 4.33Å; I59-D63 HydrophobicContact CG2-CB 4.05Å; I59-I66 HydrophobicContact CD1-CD1 4.18Å; I59-I66 HydrophobicContact CG2-CG2 3.93Å; I59-L69 HydrophobicContact CD1-CD2 3.88Å; I59-F81 HydrophobicContact CD1-CE2 4.03Å; I59-F81 HydrophobicContact CD1-CZ 3.62Å; I59-Y82 PolarHBondContact N-O 3.45Å; I59-M83 HydrophobicContact CB-CB 4.24Å; I59-M83 HydrophobicContact CB-CG 4.12Å; I59-M83 HydrophobicContact CD1-CG 4.47Å; I59-M83 HydrophobicContact CG2-CG 4.24Å; I59-N84 PolarHBondContact O-N 3.06Å; I59-I89 HydrophobicContact CD1-CD1 3.99Å
60	Q	89.9	Confident	95.3	Very high	83 Å²	83	48 Å²	48	39%	0.388	28%	0.28	S	S	.	.			trans	-105.9	167	-173.4	-60.1	-68.4	-22	0	0	111.2	A62 D63 S85	Q60-A62 PolarHBondContact O-N 3.44Å; Q60-D63 WeakPolarHBondContact CB-OD2 3.09Å; Q60-D63 PolarHBondContact N-OD2 3.02Å; Q60-D63 WeakPolarHBondContact O-CB 3.39Å; Q60-D63 PolarHBondContact O-N 2.9Å; Q60-S85 WeakPolarHBondContact O-CB 3.44Å
61	N	87.5	Confident	95.3	Very high	106 Å²	106	47.9 Å²	47.9	57%	0.567	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-56.7	-21.4	174.4	-80.7	-64.1	0	0	0	114.7	D63 N84	N61-D63 VanDerWaalsContact C-N 3.3Å; N61-N84 VanDerWaalsContact CG-O 3.31Å; N61-N84 PolarHBondContact N-O 2.98Å; N61-N84 PolarHBondContact ND2-O 2.71Å; N61-N84 VanDerWaalsContact ND2-O 3.14Å; N61-N84 PolarHBondContact OD1-O 3.1Å
62	A	89.2	Confident	95.4	Very high	93 Å²	93	47.9 Å²	47.9	77%	0.769	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-73.9	-20.8	173.9	0	0	0	0	0	113.3	Q60 S64	Q60-A62 PolarHBondContact O-N 3.44Å; A62-S64 VanDerWaalsContact C-N 3.31Å; A62-S64 PolarHBondContact O-N 2.98Å
63	D	91.8	Very high	95.4	Very high	26 Å²	26	48.7 Å²	48.7	14%	0.139	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-94.3	17.6	-173.3	-50.8	-49.5	0	0	0	112.1	V30 I34 I59 Q60 N61 A65 I66	V30-D63 HydrophobicContact CG1-CB 4.17Å; I34-D63 HydrophobicContact CD1-CB 3.91Å; I34-D63 HydrophobicContact CG1-CB 4.47Å; I59-D63 HydrophobicContact CG2-CB 4.05Å; Q60-D63 WeakPolarHBondContact CB-OD2 3.09Å; Q60-D63 PolarHBondContact N-OD2 3.02Å; Q60-D63 WeakPolarHBondContact O-CB 3.39Å; Q60-D63 PolarHBondContact O-N 2.9Å; N61-D63 VanDerWaalsContact C-N 3.3Å; D63-A65 PolarHBondContact O-N 2.86Å; D63-I66 VanDerWaalsContact O-CG2 3.26Å; D63-I66 WeakPolarHBondContact O-CG2 3.4Å; D63-I66 PolarHBondContact O-N 2.95Å
64	S	91.5	Very high	95.4	Very high	58 Å²	58	45.8 Å²	45.8	41%	0.406	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-8.2	-170.2	57.8	0	0	0	0	116.4	A62 N87	A62-S64 VanDerWaalsContact C-N 3.31Å; A62-S64 PolarHBondContact O-N 2.98Å; S64-N87 WeakPolarHBondContact O-CA 3.44Å
65	A	94.2	Very high	95.4	Very high	57 Å²	57	45.6 Å²	45.6	47%	0.471	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.8	172.6	0	0	0	0	0	114.3	V30 D63 A67	V30-A65 HydrophobicContact CG2-CB 3.94Å; D63-A65 PolarHBondContact O-N 2.86Å; A65-A67 PolarHBondContact O-N 2.83Å
66	I	96.6	Very high	95.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.			trans	-63.9	131.7	175	-169.6	170.1	0	0	0	110.8	V30 L31 I34 I59 D63 L69 N87 Q88 I89	V30-I66 HydrophobicContact CB-CB 3.97Å; V30-I66 HydrophobicContact CB-CG1 4.47Å; V30-I66 HydrophobicContact CG1-CB 4.04Å; L31-I66 HydrophobicContact CB-CD1 3.82Å; L31-I66 HydrophobicContact CB-CG1 4.47Å; L31-I66 HydrophobicContact CD1-CD1 4.02Å; L31-I66 HydrophobicContact CG-CD1 4.42Å; I34-I66 HydrophobicContact CD1-CD1 4.04Å; I59-I66 HydrophobicContact CD1-CD1 4.18Å; I59-I66 HydrophobicContact CG2-CG2 3.93Å; D63-I66 VanDerWaalsContact O-CG2 3.26Å; D63-I66 WeakPolarHBondContact O-CG2 3.4Å; D63-I66 PolarHBondContact O-N 2.95Å; I66-L69 HydrophobicContact CD1-CD2 4.14Å; I66-N87 HydrophobicContact CG2-CB 3.7Å; I66-Q88 CarbonylContact O-C 3.56Å; I66-Q88 WeakPolarHBondContact O-CA 3.3Å; I66-Q88 WeakPolarHBondContact O-CB 3.39Å; I66-Q88 PolarHBondContact O-N 2.89Å; I66-I89 HydrophobicContact CD1-CD1 4.22Å; I66-I89 HydrophobicContact CG1-CD1 4.2Å; I66-I89 HydrophobicContact CG1-CG1 4.25Å; I66-I89 HydrophobicContact CG2-CD1 3.86Å; I66-I89 HydrophobicContact CG2-CG1 4.09Å; I66-I89 PolarHBondContact O-N 2.84Å
67	A	96.4	Very high	95.3	Very high	43 Å²	43	46.8 Å²	46.8	36%	0.355	27%	0.27	S	S	.	.			trans	-124	-19.3	-176	0	0	0	0	0	113.4	D28 A65 Q88	D28-A67 PolarHBondContact OD2-N 3.07Å; A65-A67 PolarHBondContact O-N 2.83Å; A67-Q88 HydrophobicContact CB-CB 3.86Å
68	S	97.3	Very high	95.3	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	27%	0.27	S	S	.	.			trans	-139.8	143.6	178.1	-165.9	0	0	0	0	113.5	D28 K70	D28-S68 PolarHBondContact OD2-N 3.14Å; S68-K70 WeakPolarHBondContact OG-CB 3.47Å; S68-K70 PolarHBondContact OG-N 3.37Å
69	L	97.8	Very high	95.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	27%	0.265	C	S	.	.			trans	-95.1	9.9	169.8	-63.5	179.1	0	0	0	113.1	I59 I66 G71 L72 F81 I89 F92 V94 L95	I59-L69 HydrophobicContact CD1-CD2 3.88Å; I66-L69 HydrophobicContact CD1-CD2 4.14Å; L69-G71 PolarHBondContact O-N 2.81Å; L69-L72 HydrophobicContact CD2-CD2 4.48Å; L69-L72 WeakPolarHBondContact O-CB 3.39Å; L69-L72 PolarHBondContact O-N 3.16Å; L69-L72 VanDerWaalsContact O-N 3.12Å; L69-F81 HydrophobicContact CD1-CE2 4.08Å; L69-F81 HydrophobicContact CD1-CZ 3.89Å; L69-F81 HydrophobicContact CD2-CE2 4.14Å; L69-F81 HydrophobicContact CD2-CZ 4.26Å; L69-I89 HydrophobicContact CD1-CD1 4.3Å; L69-I89 HydrophobicContact CD1-CG2 4.32Å; L69-I89 HydrophobicContact CD2-CD1 3.7Å; L69-I89 HydrophobicContact CG-CD1 3.86Å; L69-I89 HydrophobicContact CG-CG1 4.49Å; L69-I89 HydrophobicContact CG-CG2 4.18Å; L69-F92 HydrophobicContact CD1-CD1 3.76Å; L69-F92 HydrophobicContact CD1-CE1 4.35Å; L69-V94 HydrophobicContact CB-CG1 3.46Å; L69-V94 VanDerWaalsContact CB-CG1 3.46Å; L69-V94 HydrophobicContact CD1-CG1 4.29Å; L69-L95 HydrophobicContact CD1-CD1 4.18Å; L69-L95 HydrophobicContact CD1-CD2 4.23Å; L69-L95 HydrophobicContact CD1-CG 4.14Å
70	K	97.6	Very high	95.5	Very high	106 Å²	106	46.3 Å²	46.3	46%	0.461	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	129.6	-177.7	-178.4	59.2	176	173.4	0	111.7	P27 S68 E73	P27-K70 WeakPolarHBondContact CD-O 3.47Å; P27-K70 HydrophobicContact CG-CB 4.39Å; P27-K70 HydrophobicContact CG-CG 4Å; S68-K70 WeakPolarHBondContact OG-CB 3.47Å; S68-K70 PolarHBondContact OG-N 3.37Å; K70-E73 WeakPolarHBondContact CE-OE1 3.43Å; K70-E73 IonicContact NZ-OE1 2.67Å; K70-E73 PolarHBondContact NZ-OE1 2.62Å
71	G	96.6	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.9	-19.8	-172.8	0	0	0	0	0	113	W25 L69 E73 L74	W25-G71 WeakPolarHBondContact O-CA 3.43Å; L69-G71 PolarHBondContact O-N 2.81Å; G71-E73 VanDerWaalsContact C-OE2 3.27Å; G71-E73 VanDerWaalsContact CA-OE2 3.23Å; G71-E73 WeakPolarHBondContact CA-OE2 3.29Å; G71-E73 PolarHBondContact N-OE2 2.77Å; G71-E73 PolarHBondContact O-N 3.2Å; G71-L74 WeakPolarHBondContact O-CB 3.37Å; G71-L74 PolarHBondContact O-N 3.01Å
72	L	97.6	Very high	96.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67.8	-19	179.5	-167.2	59.2	0	0	0	112.8	L54 L57 L69 L74 A75 L78 F81 V94 L95 L98	L54-L72 HydrophobicContact CD2-CD1 3.83Å; L57-L72 HydrophobicContact CD2-CD1 3.76Å; L57-L72 HydrophobicContact CD2-CD2 3.8Å; L57-L72 HydrophobicContact CD2-CG 4.47Å; L69-L72 HydrophobicContact CD2-CD2 4.48Å; L69-L72 WeakPolarHBondContact O-CB 3.39Å; L69-L72 PolarHBondContact O-N 3.16Å; L69-L72 VanDerWaalsContact O-N 3.12Å; L72-L74 PolarHBondContact O-N 2.94Å; L72-A75 HydrophobicContact CD1-CB 3.81Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 3.05Å; L72-L78 HydrophobicContact CD1-CD2 4.28Å; L72-L78 HydrophobicContact CD2-CD2 4.34Å; L72-L78 HydrophobicContact CG-CD2 4.45Å; L72-F81 HydrophobicContact CD2-CD2 4.12Å; L72-F81 HydrophobicContact CD2-CE2 3.98Å; L72-V94 HydrophobicContact CB-CG1 4.48Å; L72-V94 HydrophobicContact CB-CG2 4.26Å; L72-L95 HydrophobicContact CD2-CD2 3.6Å; L72-L98 HydrophobicContact CD2-CD1 4.46Å; L72-L98 HydrophobicContact CG-CD1 4.24Å; L72-L98 VanDerWaalsContact O-CD2 3.29Å; L72-L98 WeakPolarHBondContact O-CD2 3.14Å
73	E	97	Very high	96.8	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.294	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-56.6	-20.3	171.6	62	-96.3	-136.8	0	0	114	K70 G71 A75 V94	K70-E73 WeakPolarHBondContact CE-OE1 3.43Å; K70-E73 IonicContact NZ-OE1 2.67Å; K70-E73 PolarHBondContact NZ-OE1 2.62Å; G71-E73 VanDerWaalsContact C-OE2 3.27Å; G71-E73 VanDerWaalsContact CA-OE2 3.23Å; G71-E73 WeakPolarHBondContact CA-OE2 3.29Å; G71-E73 PolarHBondContact N-OE2 2.77Å; G71-E73 PolarHBondContact O-N 3.2Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-V94 HydrophobicContact CB-CG2 3.89Å
74	L	96.9	Very high	96.5	Very high	56 Å²	56	36.6 Å²	36.6	29%	0.293	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-79.2	-15.2	175.9	-58	177.9	0	0	0	112.9	W25 Q48 M51 G71 L72 T76	W25-L74 HydrophobicContact CE3-CD1 3.74Å; W25-L74 HydrophobicContact CZ3-CD1 4.37Å; Q48-L74 HydrophobicContact CB-CD1 4.24Å; Q48-L74 HydrophobicContact CG-CD1 3.9Å; M51-L74 HydrophobicContact CB-CB 3.68Å; M51-L74 WeakPolarHBondContact CB-O 3.16Å; M51-L74 HydrophobicContact CE-CB 4.48Å; M51-L74 HydrophobicContact CG-CB 3.8Å; M51-L74 HydrophobicContact CG-CD1 4.33Å; G71-L74 WeakPolarHBondContact O-CB 3.37Å; G71-L74 PolarHBondContact O-N 3.01Å; L72-L74 PolarHBondContact O-N 2.94Å; L74-T76 PolarHBondContact O-N 2.95Å
75	A	97.8	Very high	95.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.			trans	-81.2	62	178.2	0	0	0	0	0	111.3	M51 L54 L72 E73 N77 L78	M51-A75 HydrophobicContact CE-CB 4.39Å; M51-A75 WeakPolarHBondContact O-CA 3.34Å; L54-A75 HydrophobicContact CB-CB 4.23Å; L54-A75 HydrophobicContact CD2-CB 3.88Å; L72-A75 HydrophobicContact CD1-CB 3.81Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 3.05Å; E73-A75 VanDerWaalsContact C-N 3.33Å; A75-N77 PolarHBondContact O-N 3.12Å; A75-L78 HydrophobicContact CB-CB 4.09Å; A75-L78 VanDerWaalsContact O-CB 3.29Å; A75-L78 WeakPolarHBondContact O-CB 3.45Å; A75-L78 PolarHBondContact O-N 2.86Å
76	T	96.9	Very high	95.1	Very high	63 Å²	63	36 Å²	36	39%	0.387	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.5	-173.3	55.4	0	0	0	0	114.3	L74 N100	L74-T76 PolarHBondContact O-N 2.95Å; T76-N100 PolarHBondContact O-ND2 3.21Å
77	N	98.2	Very high	94.9	Very high	73 Å²	73	36.5 Å²	36.5	39%	0.39	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.9	177.1	-68.5	-32.5	0	0	0	114.1	S52 L54 A75 D79	S52-N77 PolarHBondContact O-ND2 2.71Å; L54-N77 CarbonylContact O-C 3.51Å; A75-N77 PolarHBondContact O-N 3.12Å; N77-D79 PolarHBondContact O-N 3.37Å
78	L	98.5	Very high	94.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.			trans	-66.1	114.1	177.4	-165.7	80.7	0	0	0	110.3	L54 T55 L57 L72 A75 F81 L98 N100 L101	L54-L78 HydrophobicContact CD2-CD1 4.02Å; L54-L78 HydrophobicContact CG-CD1 3.85Å; L54-L78 WeakPolarHBondContact O-CA 3.46Å; L54-L78 PolarHBondContact O-N 3.36Å; T55-L78 CarbonylContact O-C 3.31Å; T55-L78 WeakPolarHBondContact O-CA 3.49Å; L57-L78 HydrophobicContact CB-CD1 3.87Å; L72-L78 HydrophobicContact CD1-CD2 4.28Å; L72-L78 HydrophobicContact CD2-CD2 4.34Å; L72-L78 HydrophobicContact CG-CD2 4.45Å; A75-L78 HydrophobicContact CB-CB 4.09Å; A75-L78 VanDerWaalsContact O-CB 3.29Å; A75-L78 WeakPolarHBondContact O-CB 3.45Å; A75-L78 PolarHBondContact O-N 2.86Å; L78-F81 HydrophobicContact CD2-CB 4.35Å; L78-F81 HydrophobicContact CD2-CD2 4.36Å; L78-L98 HydrophobicContact CB-CD1 4.28Å; L78-L98 HydrophobicContact CD2-CD1 3.54Å; L78-L98 HydrophobicContact CG-CD1 4.5Å; L78-N100 CarbonylContact O-C 3.56Å; L78-N100 VanDerWaalsContact O-C 3.31Å; L78-L101 HydrophobicContact CD2-CD1 4.2Å; L78-L101 HydrophobicContact CG-CD1 4.4Å; L78-L101 WeakPolarHBondContact O-CA 3.38Å; L78-L101 PolarHBondContact O-N 2.91Å; L78-L101 VanDerWaalsContact O-N 3.09Å
79	D	98.2	Very high	94.7	Very high	59 Å²	59	38.6 Å²	38.6	32%	0.316	19%	0.191	S	C	.	.			trans	-101.3	-25.5	176	77.1	81.7	0	0	0	112.8	T55 N77 K102 Q103	T55-D79 PolarHBondContact O-N 2.76Å; N77-D79 PolarHBondContact O-N 3.37Å; D79-K102 PolarHBondContact O-N 3.45Å; D79-Q103 PolarHBondContact O-N 2.64Å
80	Y	98.7	Very high	94.5	Very high	38 Å²	38	42.7 Å²	42.7	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.2	-173.3	-172.4	-85.6	0	0	0	112.3	T55 S56 L57 Y58 Y82 Q103 Y105	T55-Y80 PolarHBondContact O-N 3.09Å; S56-Y80 VanDerWaalsContact CA-O 3.27Å; S56-Y80 WeakPolarHBondContact CA-O 3.47Å; L57-Y80 PolarHBondContact N-O 3.44Å; Y58-Y80 HydrophobicContact CD1-CE1 4.26Å; Y58-Y80 HydrophobicContact CE1-CD1 4.21Å; Y58-Y80 AromaticContact CE1-CE1 3.45Å; Y58-Y80 HydrophobicContact CE1-CE1 3.45Å; Y58-Y80 VanDerWaalsContact CE1-CE1 3.45Å; Y58-Y80 HydrophobicContact CE2-CD1 4.43Å; Y58-Y80 HydrophobicContact CE2-CE1 4.44Å; Y58-Y80 AromaticContact CZ-CD1 3.9Å; Y58-Y80 AromaticContact CZ-CE1 3.54Å; Y58-Y80 WeakPolarHBondContact OH-CE1 3.3Å; Y80-Y82 HydrophobicContact CE1-CG 4.4Å; Y80-Q103 HydrophobicContact CD2-CB 3.59Å; Y80-Q103 HydrophobicContact CD2-CG 4.27Å; Y80-Q103 HydrophobicContact CE2-CB 4.12Å; Y80-Q103 HydrophobicContact CG-CB 4.4Å; Y80-Y105 HydrophobicContact CD2-CE2 4.45Å; Y80-Y105 HydrophobicContact CE2-CD2 4.07Å; Y80-Y105 AromaticContact CE2-CE2 3.53Å; Y80-Y105 HydrophobicContact CE2-CE2 3.53Å; Y80-Y105 AromaticContact CZ-CD2 3.94Å; Y80-Y105 AromaticContact CZ-CE2 3.77Å
81	F	98.4	Very high	94.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.4	171.6	-178.3	-83.9	0	0	0	110.1	L57 I59 L69 L72 L78 M83 L95 L101 Q103 Y105 L106	L57-F81 HydrophobicContact CB-CD2 4.43Å; L57-F81 HydrophobicContact CD2-CD2 4.09Å; L57-F81 HydrophobicContact CD2-CE2 3.93Å; I59-F81 HydrophobicContact CD1-CE2 4.03Å; I59-F81 HydrophobicContact CD1-CZ 3.62Å; L69-F81 HydrophobicContact CD1-CE2 4.08Å; L69-F81 HydrophobicContact CD1-CZ 3.89Å; L69-F81 HydrophobicContact CD2-CE2 4.14Å; L69-F81 HydrophobicContact CD2-CZ 4.26Å; L72-F81 HydrophobicContact CD2-CD2 4.12Å; L72-F81 HydrophobicContact CD2-CE2 3.98Å; L78-F81 HydrophobicContact CD2-CB 4.35Å; L78-F81 HydrophobicContact CD2-CD2 4.36Å; F81-M83 HydrophobicContact CE1-CB 3.76Å; F81-M83 HydrophobicContact CZ-CB 4.33Å; F81-L95 HydrophobicContact CD1-CD1 3.93Å; F81-L95 HydrophobicContact CD2-CD1 4.28Å; F81-L95 HydrophobicContact CD2-CD2 3.52Å; F81-L95 HydrophobicContact CE1-CD1 3.87Å; F81-L95 HydrophobicContact CE2-CD1 4.22Å; F81-L95 HydrophobicContact CE2-CD2 3.72Å; F81-L95 HydrophobicContact CG-CD1 4.14Å; F81-L95 HydrophobicContact CG-CD2 3.99Å; F81-L95 HydrophobicContact CZ-CD1 4.01Å; F81-L95 HydrophobicContact CZ-CD2 4.33Å; F81-L101 HydrophobicContact CB-CD1 3.98Å; F81-Q103 PolarHBondContact N-O 3.01Å; F81-Y105 PolarHBondContact O-N 2.97Å; F81-L106 HydrophobicContact CD1-CD2 4.3Å; F81-L106 HydrophobicContact CE1-CD2 3.64Å; F81-L106 HydrophobicContact CE1-CG 4.4Å; F81-L106 HydrophobicContact CZ-CD2 4.5Å
82	Y	98	Very high	94.5	Very high	47 Å²	47	42 Å²	42	18%	0.184	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.5	176.1	178.8	-79.8	0	0	0	112.1	L57 Y58 I59 Y80 N84 Y105 M107	L57-Y82 PolarHBondContact O-N 3Å; Y58-Y82 CarbonylContact C-O 3.58Å; Y58-Y82 WeakPolarHBondContact CA-O 3.49Å; Y58-Y82 AromaticContact CD1-CD1 3.91Å; Y58-Y82 HydrophobicContact CD1-CD1 3.91Å; Y58-Y82 AromaticContact CD1-CG 3.97Å; Y58-Y82 HydrophobicContact CD1-CG 3.97Å; Y58-Y82 HydrophobicContact CE1-CG 4.36Å; I59-Y82 PolarHBondContact N-O 3.45Å; Y80-Y82 HydrophobicContact CE1-CG 4.4Å; Y82-N84 HydrophobicContact CE1-CB 3.56Å; Y82-N84 WeakPolarHBondContact OH-CB 3.43Å; Y82-N84 PolarHBondContact OH-ND2 3.19Å; Y82-N84 VanDerWaalsContact OH-ND2 3.15Å; Y82-Y105 HydrophobicContact CD2-CD1 4.22Å; Y82-Y105 HydrophobicContact CD2-CD2 4.15Å; Y82-Y105 AromaticContact CD2-CG 3.75Å; Y82-Y105 HydrophobicContact CD2-CG 3.75Å; Y82-Y105 HydrophobicContact CE2-CD1 4.42Å; Y82-Y105 HydrophobicContact CE2-CG 4.37Å; Y82-M107 HydrophobicContact CD2-CE 4.2Å; Y82-M107 HydrophobicContact CE2-CE 3.44Å; Y82-M107 VanDerWaalsContact CE2-CE 3.44Å
83	M	95.9	Very high	94.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.4	172.7	-178.1	-175.8	86.4	0	0	109	I59 F81 N87 I89 F92 Y105 L106 M107 V111	I59-M83 HydrophobicContact CB-CB 4.24Å; I59-M83 HydrophobicContact CB-CG 4.12Å; I59-M83 HydrophobicContact CD1-CG 4.47Å; I59-M83 HydrophobicContact CG2-CG 4.24Å; F81-M83 HydrophobicContact CE1-CB 3.76Å; F81-M83 HydrophobicContact CZ-CB 4.33Å; M83-N87 PolarHBondContact SD-ND2 3.38Å; M83-I89 HydrophobicContact SD-CD1 4.21Å; M83-F92 HydrophobicContact CE-CE1 3.9Å; M83-F92 HydrophobicContact CE-CZ 3.83Å; M83-F92 HydrophobicContact SD-CE1 3.69Å; M83-F92 HydrophobicContact SD-CZ 4.09Å; M83-Y105 PolarHBondContact N-O 3.33Å; M83-L106 HydrophobicContact CE-CD2 3.9Å; M83-L106 HydrophobicContact SD-CD2 4.27Å; M83-M107 WeakPolarHBondContact O-CB 3.49Å; M83-M107 PolarHBondContact O-N 3.31Å; M83-V111 HydrophobicContact CE-CG2 3.51Å
84	N	85.7	Confident	94.5	Very high	58 Å²	58	43 Å²	43	31%	0.31	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	77.6	171.7	-172.9	-5.4	0	0	0	108.5	I59 N61 Y82 M107	I59-N84 PolarHBondContact O-N 3.06Å; N61-N84 VanDerWaalsContact CG-O 3.31Å; N61-N84 PolarHBondContact N-O 2.98Å; N61-N84 PolarHBondContact ND2-O 2.71Å; N61-N84 VanDerWaalsContact ND2-O 3.14Å; N61-N84 PolarHBondContact OD1-O 3.1Å; Y82-N84 HydrophobicContact CE1-CB 3.56Å; Y82-N84 WeakPolarHBondContact OH-CB 3.43Å; Y82-N84 PolarHBondContact OH-ND2 3.19Å; Y82-N84 VanDerWaalsContact OH-ND2 3.15Å; N84-M107 WeakPolarHBondContact CA-O 3.21Å; N84-M107 HydrophobicContact CB-CB 4.43Å; N84-M107 HydrophobicContact CB-CE 3.92Å
85	S	75.3	Confident	94.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	22%	0.221	C	C	.	.	S	Bend	trans	-166	132.1	-171.1	59.9	0	0	0	0	110.9	Q60 N87 M107	Q60-S85 WeakPolarHBondContact O-CB 3.44Å; S85-N87 VanDerWaalsContact C-N 3.27Å; S85-N87 PolarHBondContact O-N 3.44Å; S85-N87 PolarHBondContact OG-ND2 3.37Å; S85-M107 PolarHBondContact N-O 2.95Å
86	N	80.9	Confident	94.5	Very high	100 Å²	100	42.3 Å²	42.3	54%	0.535	24%	0.237	S	C	.	.			trans	-74.7	86.6	162.9	-68.9	-15.5	0	0	0	108.3	G108 T109	N86-G108 WeakPolarHBondContact OD1-CA 3.43Å; N86-T109 PolarHBondContact OD1-N 3.01Å; N86-T109 PolarHBondContact OD1-OG1 3.42Å
87	N	92.2	Very high	94.4	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.064	24%	0.241	C	C	.	.			trans	-104.7	-171.2	178.5	64.9	39.5	0	0	0	111.1	S64 I66 M83 S85 I89 N110	S64-N87 WeakPolarHBondContact O-CA 3.44Å; I66-N87 HydrophobicContact CG2-CB 3.7Å; M83-N87 PolarHBondContact SD-ND2 3.38Å; S85-N87 VanDerWaalsContact C-N 3.27Å; S85-N87 PolarHBondContact O-N 3.44Å; S85-N87 PolarHBondContact OG-ND2 3.37Å; N87-I89 WeakPolarHBondContact OD1-CB 3.17Å; N87-I89 WeakPolarHBondContact OD1-CG1 3.28Å; N87-I89 PolarHBondContact OD1-N 3.04Å; N87-N110 PolarHBondContact OD1-ND2 3.44Å
88	Q	93.8	Very high	94.4	Very high	130 Å²	130	39.2 Å²	39.2	61%	0.607	22%	0.224	S	C	*	.	S	Bend	trans	-100.5	6.7	-174.7	-58.2	178.3	39.4	0	0	113	I66 A67 S90	I66-Q88 CarbonylContact O-C 3.56Å; I66-Q88 WeakPolarHBondContact O-CA 3.3Å; I66-Q88 WeakPolarHBondContact O-CB 3.39Å; I66-Q88 PolarHBondContact O-N 2.89Å; A67-Q88 HydrophobicContact CB-CB 3.86Å; Q88-S90 PolarHBondContact O-N 2.89Å
89	I	96	Very high	94.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.247	C	C	.	.			trans	-68.1	121.2	179.6	-56.8	165.6	0	0	0	109.2	I59 I66 L69 M83 N87 D91 F92 N110	I59-I89 HydrophobicContact CD1-CD1 3.99Å; I66-I89 HydrophobicContact CD1-CD1 4.22Å; I66-I89 HydrophobicContact CG1-CD1 4.2Å; I66-I89 HydrophobicContact CG1-CG1 4.25Å; I66-I89 HydrophobicContact CG2-CD1 3.86Å; I66-I89 HydrophobicContact CG2-CG1 4.09Å; I66-I89 PolarHBondContact O-N 2.84Å; L69-I89 HydrophobicContact CD1-CD1 4.3Å; L69-I89 HydrophobicContact CD1-CG2 4.32Å; L69-I89 HydrophobicContact CD2-CD1 3.7Å; L69-I89 HydrophobicContact CG-CD1 3.86Å; L69-I89 HydrophobicContact CG-CG1 4.49Å; L69-I89 HydrophobicContact CG-CG2 4.18Å; M83-I89 HydrophobicContact SD-CD1 4.21Å; N87-I89 WeakPolarHBondContact OD1-CB 3.17Å; N87-I89 WeakPolarHBondContact OD1-CG1 3.28Å; N87-I89 PolarHBondContact OD1-N 3.04Å; I89-D91 WeakPolarHBondContact CG2-O 3.47Å; I89-F92 HydrophobicContact CB-CE1 3.83Å; I89-F92 HydrophobicContact CB-CZ 3.87Å; I89-F92 HydrophobicContact CD1-CE1 4.22Å; I89-F92 HydrophobicContact CG2-CD1 3.76Å; I89-F92 HydrophobicContact CG2-CE1 3.38Å; I89-F92 HydrophobicContact CG2-CE2 4.25Å; I89-F92 HydrophobicContact CG2-CG 4.33Å; I89-F92 HydrophobicContact CG2-CZ 3.65Å; I89-N110 PolarHBondContact O-ND2 3.33Å
90	S	94.5	Very high	94.2	Very high	88 Å²	88	43.6 Å²	43.6	62%	0.615	25%	0.251	S	S	*	.			trans	-105.7	-22.6	174.6	57.1	0	0	0	0	113.3	Q88 N115	Q88-S90 PolarHBondContact O-N 2.89Å; S90-N115 WeakPolarHBondContact O-CB 2.96Å; S90-N115 PolarHBondContact O-ND2 3.17Å
91	D	97	Very high	94.2	Very high	91 Å²	91	41.8 Å²	41.8	49%	0.487	24%	0.244	S	C	.	.			trans	-119.2	117.4	-179.5	178.1	20.3	0	0	0	111.5	I89 S93	I89-D91 WeakPolarHBondContact CG2-O 3.47Å; D91-S93 VanDerWaalsContact CG-OG 3.31Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.9Å; D91-S93 PolarHBondContact OD1-OG 3.14Å; D91-S93 PolarHBondContact OD2-OG 3.47Å
92	F	97.3	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.			trans	-106.6	2.7	175.7	-59.5	-77.9	0	0	0	113	L69 M83 I89 V94 L95 L106 V111 N115 P117	L69-F92 HydrophobicContact CD1-CD1 3.76Å; L69-F92 HydrophobicContact CD1-CE1 4.35Å; M83-F92 HydrophobicContact CE-CE1 3.9Å; M83-F92 HydrophobicContact CE-CZ 3.83Å; M83-F92 HydrophobicContact SD-CE1 3.69Å; M83-F92 HydrophobicContact SD-CZ 4.09Å; I89-F92 HydrophobicContact CB-CE1 3.83Å; I89-F92 HydrophobicContact CB-CZ 3.87Å; I89-F92 HydrophobicContact CD1-CE1 4.22Å; I89-F92 HydrophobicContact CG2-CD1 3.76Å; I89-F92 HydrophobicContact CG2-CE1 3.38Å; I89-F92 HydrophobicContact CG2-CE2 4.25Å; I89-F92 HydrophobicContact CG2-CG 4.33Å; I89-F92 HydrophobicContact CG2-CZ 3.65Å; F92-V94 PolarHBondContact O-N 2.97Å; F92-V94 VanDerWaalsContact O-N 3.07Å; F92-L95 HydrophobicContact CB-CD1 4.27Å; F92-L95 HydrophobicContact CD1-CD1 4.34Å; F92-L95 WeakPolarHBondContact O-CB 3.36Å; F92-L95 WeakPolarHBondContact O-CG 3.3Å; F92-L95 PolarHBondContact O-N 3.08Å; F92-L106 HydrophobicContact CD1-CD2 3.5Å; F92-L106 VanDerWaalsContact CD1-CD2 3.5Å; F92-L106 HydrophobicContact CE1-CD2 3.58Å; F92-L106 HydrophobicContact CG-CD2 4.14Å; F92-L106 HydrophobicContact CZ-CD2 4.27Å; F92-V111 HydrophobicContact CE2-CG2 3.85Å; F92-V111 HydrophobicContact CZ-CG2 3.84Å; F92-N115 HydrophobicContact CD2-CB 4.09Å; F92-P117 HydrophobicContact CB-CG 3.67Å; F92-P117 WeakPolarHBondContact O-CG 3.49Å
93	S	97	Very high	94.2	Very high	67 Å²	67	45.2 Å²	45.2	47%	0.469	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.7	-170.3	62.8	0	0	0	0	114	D91 L95 A96	D91-S93 VanDerWaalsContact CG-OG 3.31Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.9Å; D91-S93 PolarHBondContact OD1-OG 3.14Å; D91-S93 PolarHBondContact OD2-OG 3.47Å; S93-L95 PolarHBondContact O-N 2.65Å; S93-L95 VanDerWaalsContact O-N 3.14Å; S93-A96 PolarHBondContact O-N 2.79Å
94	V	97.2	Very high	94.3	Very high	20 Å²	20	45.2 Å²	45.2	12%	0.121	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-53.1	-33.1	174.6	68.8	0	0	0	0	113	L69 L72 E73 F92 A96 S97	L69-V94 HydrophobicContact CB-CG1 3.46Å; L69-V94 VanDerWaalsContact CB-CG1 3.46Å; L69-V94 HydrophobicContact CD1-CG1 4.29Å; L72-V94 HydrophobicContact CB-CG1 4.48Å; L72-V94 HydrophobicContact CB-CG2 4.26Å; E73-V94 HydrophobicContact CB-CG2 3.89Å; F92-V94 PolarHBondContact O-N 2.97Å; F92-V94 VanDerWaalsContact O-N 3.07Å; V94-A96 VanDerWaalsContact C-N 3.28Å; V94-A96 PolarHBondContact O-N 3.1Å; V94-S97 WeakPolarHBondContact O-CB 3.39Å; V94-S97 PolarHBondContact O-N 2.78Å; V94-S97 PolarHBondContact O-OG 3.27Å
95	L	98.2	Very high	94.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.9	-29.4	-179.5	-58.4	179.6	0	0	0	112.5	L69 L72 F81 F92 S93 S97 L98 L101 L106 F119	L69-L95 HydrophobicContact CD1-CD1 4.18Å; L69-L95 HydrophobicContact CD1-CD2 4.23Å; L69-L95 HydrophobicContact CD1-CG 4.14Å; L72-L95 HydrophobicContact CD2-CD2 3.6Å; F81-L95 HydrophobicContact CD1-CD1 3.93Å; F81-L95 HydrophobicContact CD2-CD1 4.28Å; F81-L95 HydrophobicContact CD2-CD2 3.52Å; F81-L95 HydrophobicContact CE1-CD1 3.87Å; F81-L95 HydrophobicContact CE2-CD1 4.22Å; F81-L95 HydrophobicContact CE2-CD2 3.72Å; F81-L95 HydrophobicContact CG-CD1 4.14Å; F81-L95 HydrophobicContact CG-CD2 3.99Å; F81-L95 HydrophobicContact CZ-CD1 4.01Å; F81-L95 HydrophobicContact CZ-CD2 4.33Å; F92-L95 HydrophobicContact CB-CD1 4.27Å; F92-L95 HydrophobicContact CD1-CD1 4.34Å; F92-L95 WeakPolarHBondContact O-CB 3.36Å; F92-L95 WeakPolarHBondContact O-CG 3.3Å; F92-L95 PolarHBondContact O-N 3.08Å; S93-L95 PolarHBondContact O-N 2.65Å; S93-L95 VanDerWaalsContact O-N 3.14Å; L95-S97 PolarHBondContact O-N 3.12Å; L95-L98 HydrophobicContact CD2-CD1 4.04Å; L95-L98 PolarHBondContact O-N 3.4Å; L95-L101 HydrophobicContact CB-CD2 4.04Å; L95-L101 VanDerWaalsContact O-CD2 3.23Å; L95-L101 WeakPolarHBondContact O-CD2 3.23Å; L95-L106 HydrophobicContact CD1-CD1 4.34Å; L95-L106 HydrophobicContact CD1-CD2 4.17Å; L95-F119 HydrophobicContact CB-CE1 3.68Å; L95-F119 HydrophobicContact CB-CZ 4.14Å
96	A	96.7	Very high	95.9	Very high	39 Å²	39	44.5 Å²	44.5	32%	0.322	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-74.1	-13.8	174	0	0	0	0	0	113.4	S93 V94 P117 D118 F119	S93-A96 PolarHBondContact O-N 2.79Å; V94-A96 VanDerWaalsContact C-N 3.28Å; V94-A96 PolarHBondContact O-N 3.1Å; A96-P117 HydrophobicContact CB-CB 3.84Å; A96-D118 WeakPolarHBondContact CB-O 3.27Å; A96-F119 HydrophobicContact CB-CD1 4.3Å
97	S	95.4	Very high	96.5	Very high	69 Å²	69	40.8 Å²	40.8	48%	0.483	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-82.9	-12.3	175.1	76.7	0	0	0	0	114	V94 L95 P99	V94-S97 WeakPolarHBondContact O-CB 3.39Å; V94-S97 PolarHBondContact O-N 2.78Å; V94-S97 PolarHBondContact O-OG 3.27Å; L95-S97 PolarHBondContact O-N 3.12Å; S97-P99 WeakPolarHBondContact O-CD 3.49Å
98	L	97.5	Very high	96.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	23%	0.233	C	C	.	.			trans	-82.3	112.6	-171.5	-56.2	-176.8	0	0	0	110.8	L72 L78 L95 N100 L101	L72-L98 HydrophobicContact CD2-CD1 4.46Å; L72-L98 HydrophobicContact CG-CD1 4.24Å; L72-L98 VanDerWaalsContact O-CD2 3.29Å; L72-L98 WeakPolarHBondContact O-CD2 3.14Å; L78-L98 HydrophobicContact CB-CD1 4.28Å; L78-L98 HydrophobicContact CD2-CD1 3.54Å; L78-L98 HydrophobicContact CG-CD1 4.5Å; L95-L98 HydrophobicContact CD2-CD1 4.04Å; L95-L98 PolarHBondContact O-N 3.4Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-N100 PolarHBondContact O-N 3.03Å; L98-L101 HydrophobicContact CB-CB 3.92Å; L98-L101 HydrophobicContact CB-CD2 4.46Å; L98-L101 HydrophobicContact CD1-CD2 4.38Å; L98-L101 PolarHBondContact O-N 3.39Å
99	P	95.3	Very high	96.4	Very high	77 Å²	77	38.4 Å²	38.4	50%	0.5	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.1	-166.7	27.6	-35.6	0	0	0	113.2	S97	S97-P99 WeakPolarHBondContact O-CD 3.49Å
100	N	97	Very high	96.2	Very high	73 Å²	73	40 Å²	40	39%	0.39	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.1	-177.5	-74.9	-52.2	0	0	0	114.1	T76 L78 L98 K102	T76-N100 PolarHBondContact O-ND2 3.21Å; L78-N100 CarbonylContact O-C 3.56Å; L78-N100 VanDerWaalsContact O-C 3.31Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-N100 PolarHBondContact O-N 3.03Å; N100-K102 WeakPolarHBondContact O-CG 3.29Å; N100-K102 PolarHBondContact O-N 3.38Å; N100-K102 PolarHBondContact O-NZ 3.37Å
101	L	98.4	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.208	C	C	.	.			trans	-60.9	128.7	-175.2	-169.3	65.5	0	0	0	111.4	L78 F81 L95 L98 V104 F119	L78-L101 HydrophobicContact CD2-CD1 4.2Å; L78-L101 HydrophobicContact CG-CD1 4.4Å; L78-L101 WeakPolarHBondContact O-CA 3.38Å; L78-L101 PolarHBondContact O-N 2.91Å; L78-L101 VanDerWaalsContact O-N 3.09Å; F81-L101 HydrophobicContact CB-CD1 3.98Å; L95-L101 HydrophobicContact CB-CD2 4.04Å; L95-L101 VanDerWaalsContact O-CD2 3.23Å; L95-L101 WeakPolarHBondContact O-CD2 3.23Å; L98-L101 HydrophobicContact CB-CB 3.92Å; L98-L101 HydrophobicContact CB-CD2 4.46Å; L98-L101 HydrophobicContact CD1-CD2 4.38Å; L98-L101 PolarHBondContact O-N 3.39Å; L101-V104 HydrophobicContact CD1-CG2 4.21Å; L101-V104 HydrophobicContact CD2-CG2 3.58Å; L101-V104 HydrophobicContact CG-CG2 3.77Å; L101-F119 HydrophobicContact CD2-CD1 4.42Å; L101-F119 HydrophobicContact CD2-CE1 3.98Å
102	K	98.6	Very high	96.3	Very high	66 Å²	66	33.3 Å²	33.3	29%	0.287	20%	0.196	S	C	.	.			trans	-124	-34.1	-178.5	-63.1	-66	147.2	-95.5	0	112.9	D79 N100 T122 I123 T124 R125	D79-K102 PolarHBondContact O-N 3.45Å; N100-K102 WeakPolarHBondContact O-CG 3.29Å; N100-K102 PolarHBondContact O-N 3.38Å; N100-K102 PolarHBondContact O-NZ 3.37Å; K102-T122 WeakPolarHBondContact CD-O 3.41Å; K102-T122 WeakPolarHBondContact CE-O 3.23Å; K102-T122 PolarHBondContact NZ-O 3.17Å; K102-I123 WeakPolarHBondContact O-CB 3.45Å; K102-T124 HydrophobicContact CD-CG2 4.46Å; K102-T124 PolarHBondContact O-N 3.12Å; K102-T124 PolarHBondContact O-OG1 2.71Å; K102-R125 PolarHBondContact O-N 3Å
103	Q	98.7	Very high	96.4	Very high	53 Å²	53	34.6 Å²	34.6	25%	0.248	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.7	-170.3	-60.1	-178.1	88.4	0	0	109.3	D79 Y80 F81 Y105 R125	D79-Q103 PolarHBondContact O-N 2.64Å; Y80-Q103 HydrophobicContact CD2-CB 3.59Å; Y80-Q103 HydrophobicContact CD2-CG 4.27Å; Y80-Q103 HydrophobicContact CE2-CB 4.12Å; Y80-Q103 HydrophobicContact CG-CB 4.4Å; F81-Q103 PolarHBondContact N-O 3.01Å; Q103-Y105 HydrophobicContact CB-CE2 4.31Å; Q103-R125 HydrophobicContact CB-CB 4.43Å; Q103-R125 HydrophobicContact CG-CB 4.18Å; Q103-R125 HydrophobicContact CG-CG 4.31Å
104	V	98.6	Very high	96.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116.7	-174.6	179.7	0	0	0	0	109.6	L101 L106 F119 I123 R125 L126 D127	L101-V104 HydrophobicContact CD1-CG2 4.21Å; L101-V104 HydrophobicContact CD2-CG2 3.58Å; L101-V104 HydrophobicContact CG-CG2 3.77Å; V104-L106 HydrophobicContact CG1-CD1 3.54Å; V104-L106 HydrophobicContact CG1-CG 3.7Å; V104-F119 HydrophobicContact CB-CZ 4.43Å; V104-F119 HydrophobicContact CG1-CE2 4.24Å; V104-F119 HydrophobicContact CG1-CZ 3.81Å; V104-F119 HydrophobicContact CG2-CE1 4.08Å; V104-F119 HydrophobicContact CG2-CZ 4.1Å; V104-I123 HydrophobicContact CG2-CG2 4.01Å; V104-R125 PolarHBondContact N-O 3.21Å; V104-L126 HydrophobicContact CB-CD1 4.02Å; V104-L126 HydrophobicContact CG1-CD1 3.99Å; V104-L126 CarbonylContact O-C 3.46Å; V104-L126 WeakPolarHBondContact O-CA 3.41Å; V104-D127 PolarHBondContact O-N 2.92Å
105	Y	98	Very high	96.4	Very high	45 Å²	45	39.7 Å²	39.7	18%	0.176	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.9	171.8	-59.8	-106.6	0	0	0	108.1	Y80 F81 Y82 M83 Q103 M107 D127	Y80-Y105 HydrophobicContact CD2-CE2 4.45Å; Y80-Y105 HydrophobicContact CE2-CD2 4.07Å; Y80-Y105 AromaticContact CE2-CE2 3.53Å; Y80-Y105 HydrophobicContact CE2-CE2 3.53Å; Y80-Y105 AromaticContact CZ-CD2 3.94Å; Y80-Y105 AromaticContact CZ-CE2 3.77Å; F81-Y105 PolarHBondContact O-N 2.97Å; Y82-Y105 HydrophobicContact CD2-CD1 4.22Å; Y82-Y105 HydrophobicContact CD2-CD2 4.15Å; Y82-Y105 AromaticContact CD2-CG 3.75Å; Y82-Y105 HydrophobicContact CD2-CG 3.75Å; Y82-Y105 HydrophobicContact CE2-CD1 4.42Å; Y82-Y105 HydrophobicContact CE2-CG 4.37Å; M83-Y105 PolarHBondContact N-O 3.33Å; Q103-Y105 HydrophobicContact CB-CE2 4.31Å; Y105-M107 HydrophobicContact CD1-CE 4.29Å; Y105-D127 HydrophobicContact CD1-CB 3.29Å; Y105-D127 WeakPolarHBondContact CD1-OD2 3.44Å; Y105-D127 HydrophobicContact CE1-CB 3.79Å; Y105-D127 HydrophobicContact CG-CB 3.92Å
106	L	96.1	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	71.1	-176.5	-79	168.1	0	0	0	109	F81 M83 F92 L95 V104 V111 F119 D127 L128	F81-L106 HydrophobicContact CD1-CD2 4.3Å; F81-L106 HydrophobicContact CE1-CD2 3.64Å; F81-L106 HydrophobicContact CE1-CG 4.4Å; F81-L106 HydrophobicContact CZ-CD2 4.5Å; M83-L106 HydrophobicContact CE-CD2 3.9Å; M83-L106 HydrophobicContact SD-CD2 4.27Å; F92-L106 HydrophobicContact CD1-CD2 3.5Å; F92-L106 VanDerWaalsContact CD1-CD2 3.5Å; F92-L106 HydrophobicContact CE1-CD2 3.58Å; F92-L106 HydrophobicContact CG-CD2 4.14Å; F92-L106 HydrophobicContact CZ-CD2 4.27Å; L95-L106 HydrophobicContact CD1-CD1 4.34Å; L95-L106 HydrophobicContact CD1-CD2 4.17Å; V104-L106 HydrophobicContact CG1-CD1 3.54Å; V104-L106 HydrophobicContact CG1-CG 3.7Å; L106-V111 HydrophobicContact CB-CG1 4.33Å; L106-V111 HydrophobicContact CB-CG2 4.21Å; L106-F119 HydrophobicContact CD1-CZ 4.31Å; L106-D127 PolarHBondContact N-O 3Å; L106-L128 HydrophobicContact CB-CD2 3.94Å
107	M	93.3	Very high	96.4	Very high	22 Å²	22	38.1 Å²	38.1	11%	0.108	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.3	179.5	-60.2	176.4	-87.7	0	0	110.7	Y82 M83 N84 S85 Y105 S129	Y82-M107 HydrophobicContact CD2-CE 4.2Å; Y82-M107 HydrophobicContact CE2-CE 3.44Å; Y82-M107 VanDerWaalsContact CE2-CE 3.44Å; M83-M107 WeakPolarHBondContact O-CB 3.49Å; M83-M107 PolarHBondContact O-N 3.31Å; N84-M107 WeakPolarHBondContact CA-O 3.21Å; N84-M107 HydrophobicContact CB-CB 4.43Å; N84-M107 HydrophobicContact CB-CE 3.92Å; S85-M107 PolarHBondContact N-O 2.95Å; Y105-M107 HydrophobicContact CD1-CE 4.29Å; M107-S129 WeakPolarHBondContact CA-O 3.37Å; M107-S129 VanDerWaalsContact CB-O 3.22Å; M107-S129 WeakPolarHBondContact CB-O 3.4Å; M107-S129 VanDerWaalsContact CG-O 3.26Å; M107-S129 WeakPolarHBondContact CG-O 3.48Å
108	G	90.6	Very high	96.5	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	155.9	144.4	-179.6	0	0	0	0	0	111.7	N86 N110 V111 S131	N86-G108 WeakPolarHBondContact OD1-CA 3.43Å; G108-N110 PolarHBondContact O-N 3.05Å; G108-N110 VanDerWaalsContact O-N 3.1Å; G108-V111 WeakPolarHBondContact O-CB 3.3Å; G108-V111 PolarHBondContact O-N 3.14Å; G108-S131 WeakPolarHBondContact O-CA 3.33Å
109	T	92.2	Very high	96.4	Very high	86 Å²	86	38.2 Å²	38.2	53%	0.528	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.7	-172.6	57.7	0	0	0	0	114.4	N86 V111	N86-T109 PolarHBondContact OD1-N 3.01Å; N86-T109 PolarHBondContact OD1-OG1 3.42Å; T109-V111 VanDerWaalsContact C-N 3.33Å
110	N	93	Very high	96.4	Very high	34 Å²	34	35.6 Å²	35.6	18%	0.182	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.4	170.6	58.1	-53.2	0	0	0	114.1	N87 I89 G108 N115	N87-N110 PolarHBondContact OD1-ND2 3.44Å; I89-N110 PolarHBondContact O-ND2 3.33Å; G108-N110 PolarHBondContact O-N 3.05Å; G108-N110 VanDerWaalsContact O-N 3.1Å; N110-N115 PolarHBondContact O-ND2 2.87Å
111	V	96.5	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.			trans	-86.3	128.5	175.4	178.4	0	0	0	0	109.6	M83 F92 L106 G108 T109 V116 L128 N132	M83-V111 HydrophobicContact CE-CG2 3.51Å; F92-V111 HydrophobicContact CE2-CG2 3.85Å; F92-V111 HydrophobicContact CZ-CG2 3.84Å; L106-V111 HydrophobicContact CB-CG1 4.33Å; L106-V111 HydrophobicContact CB-CG2 4.21Å; G108-V111 WeakPolarHBondContact O-CB 3.3Å; G108-V111 PolarHBondContact O-N 3.14Å; T109-V111 VanDerWaalsContact C-N 3.33Å; V111-V116 HydrophobicContact CG1-CG2 3.53Å; V111-L128 HydrophobicContact CG1-CD2 3.94Å; V111-N132 CarbonylContact O-C 3.55Å; V111-N132 WeakPolarHBondContact O-CA 3.48Å; V111-N132 PolarHBondContact O-N 2.93Å
112	T	97.2	Very high	96.2	Very high	39 Å²	39	38 Å²	38	24%	0.239	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-146.3	164.5	-169.9	62.9	0	0	0	0	111.4	Q114 N115 V116 N132	T112-Q114 PolarHBondContact O-N 2.8Å; T112-N115 PolarHBondContact N-OD1 3.18Å; T112-N115 PolarHBondContact O-N 2.83Å; T112-N115 VanDerWaalsContact O-N 3.13Å; T112-N115 PolarHBondContact O-OD1 2.9Å; T112-N115 VanDerWaalsContact O-OD1 3.1Å; T112-N115 PolarHBondContact OG1-OD1 3.17Å; T112-V116 WeakPolarHBondContact O-CG2 3.28Å; T112-V116 PolarHBondContact O-N 2.99Å; T112-N132 HydrophobicContact CG2-CB 4.34Å
113	D	98.4	Very high	96.2	Very high	27 Å²	27	34.8 Å²	34.8	14%	0.144	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-33.3	177.6	-62.2	-7.2	0	0	0	113.4	V133 T134 K140	D113-V133 WeakPolarHBondContact OD1-CA 3.35Å; D113-V133 VanDerWaalsContact OD1-CB 3.23Å; D113-V133 WeakPolarHBondContact OD1-CB 3.42Å; D113-T134 PolarHBondContact OD1-N 3.25Å; D113-T134 WeakPolarHBondContact OD2-CB 3.42Å; D113-T134 PolarHBondContact OD2-N 3.17Å; D113-T134 PolarHBondContact OD2-OG1 3.27Å; D113-K140 PolarHBondContact O-NZ 2.94Å
114	Q	97.7	Very high	96.2	Very high	166 Å²	166	33.8 Å²	33.8	78%	0.776	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-45.9	-177.9	-62	-57.2	-34.1	0	0	112.4	T112 K140	T112-Q114 PolarHBondContact O-N 2.8Å; Q114-K140 PolarHBondContact O-NZ 2.67Å
115	N	97.2	Very high	96.2	Very high	28 Å²	28	37.2 Å²	37.2	15%	0.15	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-11.6	-172.9	67.4	-0.5	0	0	0	115.6	S90 F92 N110 T112 P117	S90-N115 WeakPolarHBondContact O-CB 2.96Å; S90-N115 PolarHBondContact O-ND2 3.17Å; F92-N115 HydrophobicContact CD2-CB 4.09Å; N110-N115 PolarHBondContact O-ND2 2.87Å; T112-N115 PolarHBondContact N-OD1 3.18Å; T112-N115 PolarHBondContact O-N 2.83Å; T112-N115 VanDerWaalsContact O-N 3.13Å; T112-N115 PolarHBondContact O-OD1 2.9Å; T112-N115 VanDerWaalsContact O-OD1 3.1Å; T112-N115 PolarHBondContact OG1-OD1 3.17Å; N115-P117 WeakPolarHBondContact O-CD 3.44Å
116	V	98	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-54.9	125	162	169.6	0	0	0	0	108.7	V111 T112 L128 V133 V137 K140	V111-V116 HydrophobicContact CG1-CG2 3.53Å; T112-V116 WeakPolarHBondContact O-CG2 3.28Å; T112-V116 PolarHBondContact O-N 2.99Å; V116-L128 HydrophobicContact CG2-CD1 4.39Å; V116-L128 HydrophobicContact CG2-CD2 3.86Å; V116-V133 HydrophobicContact CG2-CG1 4Å; V116-V137 HydrophobicContact CB-CG2 4.16Å; V116-V137 HydrophobicContact CG1-CG2 3.94Å; V116-V137 HydrophobicContact CG2-CG2 4.22Å; V116-K140 WeakPolarHBondContact O-CD 3.4Å; V116-K140 WeakPolarHBondContact O-CE 3.33Å; V116-K140 PolarHBondContact O-NZ 3.22Å
117	P	97.4	Very high	96.3	Very high	8 Å²	8	36 Å²	36	5%	0.052	20%	0.199	C	C	.	.			trans	-71	156.1	-177.9	-22.8	35.3	0	0	0	114.1	F92 A96 N115 F119	F92-P117 HydrophobicContact CB-CG 3.67Å; F92-P117 WeakPolarHBondContact O-CG 3.49Å; A96-P117 HydrophobicContact CB-CB 3.84Å; N115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-F119 HydrophobicContact CB-CD1 4.37Å; P117-F119 HydrophobicContact CB-CD2 4.32Å; P117-F119 HydrophobicContact CB-CE1 4.02Å; P117-F119 HydrophobicContact CB-CE2 3.97Å; P117-F119 HydrophobicContact CB-CZ 3.8Å; P117-F119 HydrophobicContact CG-CE1 4.11Å; P117-F119 HydrophobicContact CG-CE2 4.05Å; P117-F119 HydrophobicContact CG-CZ 3.61Å; P117-F119 WeakPolarHBondContact O-CD2 3.45Å; P117-F119 PolarHBondContact O-N 2.87Å
118	D	95.8	Very high	96.6	Very high	68 Å²	68	35 Å²	35	36%	0.364	19%	0.193	S	C	.	.			trans	-82.3	92.6	161.9	-167.6	-19.9	0	0	0	108.7	A96 G120 K140 K143	A96-D118 WeakPolarHBondContact CB-O 3.27Å; D118-G120 PolarHBondContact O-N 3.08Å; D118-G120 PolarHBondContact OD1-N 2.97Å; D118-G120 VanDerWaalsContact OD1-N 3.17Å; D118-K140 HydrophobicContact CB-CG 4.42Å; D118-K143 WeakPolarHBondContact OD1-CD 3.46Å; D118-K143 WeakPolarHBondContact OD2-CD 3.39Å; D118-K143 WeakPolarHBondContact OD2-CE 3.5Å; D118-K143 IonicContact OD2-NZ 2.77Å; D118-K143 PolarHBondContact OD2-NZ 2.69Å
119	F	97.1	Very high	96.9	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.022	20%	0.196	C	C	.	.			trans	-71.6	-5.1	-179.3	-68	-73.1	0	0	0	113.9	L95 A96 L101 V104 L106 P117 T121 T122 I123 L126 M144	L95-F119 HydrophobicContact CB-CE1 3.68Å; L95-F119 HydrophobicContact CB-CZ 4.14Å; A96-F119 HydrophobicContact CB-CD1 4.3Å; L101-F119 HydrophobicContact CD2-CD1 4.42Å; L101-F119 HydrophobicContact CD2-CE1 3.98Å; V104-F119 HydrophobicContact CB-CZ 4.43Å; V104-F119 HydrophobicContact CG1-CE2 4.24Å; V104-F119 HydrophobicContact CG1-CZ 3.81Å; V104-F119 HydrophobicContact CG2-CE1 4.08Å; V104-F119 HydrophobicContact CG2-CZ 4.1Å; L106-F119 HydrophobicContact CD1-CZ 4.31Å; P117-F119 HydrophobicContact CB-CD1 4.37Å; P117-F119 HydrophobicContact CB-CD2 4.32Å; P117-F119 HydrophobicContact CB-CE1 4.02Å; P117-F119 HydrophobicContact CB-CE2 3.97Å; P117-F119 HydrophobicContact CB-CZ 3.8Å; P117-F119 HydrophobicContact CG-CE1 4.11Å; P117-F119 HydrophobicContact CG-CE2 4.05Å; P117-F119 HydrophobicContact CG-CZ 3.61Å; P117-F119 WeakPolarHBondContact O-CD2 3.45Å; P117-F119 PolarHBondContact O-N 2.87Å; F119-T121 PolarHBondContact O-N 3.15Å; F119-T122 PolarHBondContact O-N 2.96Å; F119-T122 PolarHBondContact O-OG1 3Å; F119-I123 HydrophobicContact CB-CD1 4.05Å; F119-I123 HydrophobicContact CB-CG1 4.07Å; F119-I123 HydrophobicContact CB-CG2 4.12Å; F119-I123 HydrophobicContact CD1-CG2 4.12Å; F119-I123 HydrophobicContact CD2-CD1 3.82Å; F119-I123 HydrophobicContact CG-CD1 3.98Å; F119-I123 HydrophobicContact CG-CG1 4.47Å; F119-I123 HydrophobicContact CG-CG2 4.15Å; F119-L126 HydrophobicContact CE2-CD1 4.33Å; F119-M144 HydrophobicContact CB-CE 4.15Å; F119-M144 HydrophobicContact CD2-CE 3.69Å; F119-M144 HydrophobicContact CD2-SD 4.39Å; F119-M144 HydrophobicContact CG-CE 4.41Å
120	G	94.9	Very high	97	Very high	23 Å²	23	32.9 Å²	32.9	24%	0.237	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	-138.2	-169.9	0	0	0	0	0	111.2	D118 M144	D118-G120 PolarHBondContact O-N 3.08Å; D118-G120 PolarHBondContact OD1-N 2.97Å; D118-G120 VanDerWaalsContact OD1-N 3.17Å; G120-M144 VanDerWaalsContact O-CA 3.28Å; G120-M144 WeakPolarHBondContact O-CA 3.43Å
121	T	96.4	Very high	97.1	Very high	77 Å²	77	31.8 Å²	31.8	47%	0.472	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	13.9	-174.4	65.8	0	0	0	0	114.5	F119 T145 N146	F119-T121 PolarHBondContact O-N 3.15Å; T121-T145 WeakPolarHBondContact CG2-OG1 3.34Å; T121-N146 PolarHBondContact O-ND2 2.71Å
122	T	94.3	Very high	97.1	Very high	45 Å²	45	35.8 Å²	35.8	28%	0.276	20%	0.203	S	C	.	.			trans	-80.2	-37.6	-170.1	57.2	0	0	0	0	114.1	K102 F119	K102-T122 WeakPolarHBondContact CD-O 3.41Å; K102-T122 WeakPolarHBondContact CE-O 3.23Å; K102-T122 PolarHBondContact NZ-O 3.17Å; F119-T122 PolarHBondContact O-N 2.96Å; F119-T122 PolarHBondContact O-OG1 3Å
123	I	98.2	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.			trans	-88	153.5	-170.4	68.5	168.9	0	0	0	113.8	K102 V104 F119 L126 M144 N146 L147	K102-I123 WeakPolarHBondContact O-CB 3.45Å; V104-I123 HydrophobicContact CG2-CG2 4.01Å; F119-I123 HydrophobicContact CB-CD1 4.05Å; F119-I123 HydrophobicContact CB-CG1 4.07Å; F119-I123 HydrophobicContact CB-CG2 4.12Å; F119-I123 HydrophobicContact CD1-CG2 4.12Å; F119-I123 HydrophobicContact CD2-CD1 3.82Å; F119-I123 HydrophobicContact CG-CD1 3.98Å; F119-I123 HydrophobicContact CG-CG1 4.47Å; F119-I123 HydrophobicContact CG-CG2 4.15Å; I123-L126 HydrophobicContact CD1-CB 3.92Å; I123-L126 HydrophobicContact CD1-CD1 4.27Å; I123-L126 HydrophobicContact CD1-CD2 4.39Å; I123-L126 HydrophobicContact CD1-CG 4.42Å; I123-M144 HydrophobicContact CD1-SD 3.68Å; I123-M144 HydrophobicContact CG1-CG 4.46Å; I123-M144 HydrophobicContact CG1-SD 4.17Å; I123-N146 CarbonylContact O-C 3.34Å; I123-L147 HydrophobicContact CD1-CD1 4.15Å; I123-L147 HydrophobicContact CG1-CD1 4.16Å
124	T	98.7	Very high	97.1	Very high	31 Å²	31	35.3 Å²	35.3	19%	0.19	20%	0.201	C	C	.	.	S	Bend	trans	-118.2	-20.6	175.7	61	0	0	0	0	113	K102 E148 S149	K102-T124 HydrophobicContact CD-CG2 4.46Å; K102-T124 PolarHBondContact O-N 3.12Å; K102-T124 PolarHBondContact O-OG1 2.71Å; T124-E148 WeakPolarHBondContact O-CB 3.33Å; T124-E148 PolarHBondContact O-N 2.98Å; T124-S149 PolarHBondContact O-N 3.14Å; T124-S149 VanDerWaalsContact O-N 3.14Å
125	R	98.9	Very high	97.1	Very high	72 Å²	72	29.8 Å²	29.8	27%	0.272	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.4	173.8	-57.1	-167.1	164.6	-97.9	-11.1	111.7	K102 Q103 V104 S149 E172	K102-R125 PolarHBondContact O-N 3Å; Q103-R125 HydrophobicContact CB-CB 4.43Å; Q103-R125 HydrophobicContact CG-CB 4.18Å; Q103-R125 HydrophobicContact CG-CG 4.31Å; V104-R125 PolarHBondContact N-O 3.21Å; R125-S149 WeakPolarHBondContact CA-O 3.48Å; R125-S149 PolarHBondContact NH1-OG 3.19Å; R125-S149 VanDerWaalsContact NH1-OG 3.16Å; R125-E172 IonicContact CZ-OE2 2.98Å; R125-E172 IonicContact NH1-OE2 2.71Å; R125-E172 PolarHBondContact NH1-OE2 3.11Å; R125-E172 IonicContact NH2-OE2 2.69Å
126	L	98.7	Very high	97.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.3	175.2	-177.8	60.9	0	0	0	110.4	V104 F119 I123 L128 I141 M144 L147 S149 L150 V151	V104-L126 HydrophobicContact CB-CD1 4.02Å; V104-L126 HydrophobicContact CG1-CD1 3.99Å; V104-L126 CarbonylContact O-C 3.46Å; V104-L126 WeakPolarHBondContact O-CA 3.41Å; F119-L126 HydrophobicContact CE2-CD1 4.33Å; I123-L126 HydrophobicContact CD1-CB 3.92Å; I123-L126 HydrophobicContact CD1-CD1 4.27Å; I123-L126 HydrophobicContact CD1-CD2 4.39Å; I123-L126 HydrophobicContact CD1-CG 4.42Å; L126-L128 HydrophobicContact CD1-CD2 4.24Å; L126-L128 HydrophobicContact CD1-CG 4.28Å; L126-L128 HydrophobicContact CD2-CD1 4.08Å; L126-L128 HydrophobicContact CD2-CG 4.41Å; L126-L128 HydrophobicContact CG-CD1 4.33Å; L126-L128 HydrophobicContact CG-CG 4.13Å; L126-I141 HydrophobicContact CD2-CD1 3.88Å; L126-I141 HydrophobicContact CD2-CG1 3.87Å; L126-M144 HydrophobicContact CD2-CE 4.25Å; L126-M144 HydrophobicContact CD2-SD 3.8Å; L126-L147 HydrophobicContact CB-CD1 3.8Å; L126-S149 PolarHBondContact N-O 2.92Å; L126-S149 VanDerWaalsContact N-O 3.08Å; L126-L150 HydrophobicContact CB-CD1 4.08Å; L126-L150 HydrophobicContact CD2-CD1 4.09Å; L126-L150 HydrophobicContact CG-CD1 4.17Å; L126-L150 WeakPolarHBondContact O-CA 3.26Å; L126-V151 PolarHBondContact O-N 3.12Å
127	D	98.5	Very high	97.2	Very high	18 Å²	18	30.2 Å²	30.2	10%	0.096	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.2	174.6	-166	-27	0	0	0	110.3	V104 Y105 L106 S129 V151	V104-D127 PolarHBondContact O-N 2.92Å; Y105-D127 HydrophobicContact CD1-CB 3.29Å; Y105-D127 WeakPolarHBondContact CD1-OD2 3.44Å; Y105-D127 HydrophobicContact CE1-CB 3.79Å; Y105-D127 HydrophobicContact CG-CB 3.92Å; L106-D127 PolarHBondContact N-O 3Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 3.04Å; D127-S129 PolarHBondContact OD1-OG 2.92Å; D127-V151 HydrophobicContact CB-CB 3.98Å; D127-V151 HydrophobicContact CB-CG2 4.24Å; D127-V151 VanDerWaalsContact CG-CB 3.48Å
128	L	98.1	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.187	C	C	.	.			trans	-121	26.2	179.7	-62.3	172.2	0	0	0	110.7	L106 V111 V116 L126 G130 S131 V133 V137 I141 V151 F152 N155	L106-L128 HydrophobicContact CB-CD2 3.94Å; V111-L128 HydrophobicContact CG1-CD2 3.94Å; V116-L128 HydrophobicContact CG2-CD1 4.39Å; V116-L128 HydrophobicContact CG2-CD2 3.86Å; L126-L128 HydrophobicContact CD1-CD2 4.24Å; L126-L128 HydrophobicContact CD1-CG 4.28Å; L126-L128 HydrophobicContact CD2-CD1 4.08Å; L126-L128 HydrophobicContact CD2-CG 4.41Å; L126-L128 HydrophobicContact CG-CD1 4.33Å; L126-L128 HydrophobicContact CG-CG 4.13Å; L128-G130 PolarHBondContact O-N 2.89Å; L128-S131 VanDerWaalsContact O-CB 3.29Å; L128-S131 WeakPolarHBondContact O-CB 3.47Å; L128-S131 PolarHBondContact O-N 3.21Å; L128-S131 PolarHBondContact O-OG 3.23Å; L128-V133 HydrophobicContact CD1-CG1 4.47Å; L128-V137 HydrophobicContact CD1-CG2 4.2Å; L128-I141 HydrophobicContact CD1-CD1 4Å; L128-V151 PolarHBondContact N-O 3.07Å; L128-F152 HydrophobicContact CB-CD1 4.12Å; L128-F152 HydrophobicContact CD1-CD1 4.22Å; L128-F152 HydrophobicContact CD1-CE1 3.76Å; L128-N155 PolarHBondContact O-ND2 3.29Å; L128-N155 PolarHBondContact O-OD1 3.09Å
129	S	97.2	Very high	97.4	Very high	15 Å²	15	32.8 Å²	32.8	11%	0.105	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	135.4	-177	-58.5	0	0	0	0	112.5	M107 D127 S131 V151 Q153	M107-S129 WeakPolarHBondContact CA-O 3.37Å; M107-S129 VanDerWaalsContact CB-O 3.22Å; M107-S129 WeakPolarHBondContact CB-O 3.4Å; M107-S129 VanDerWaalsContact CG-O 3.26Å; M107-S129 WeakPolarHBondContact CG-O 3.48Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 3.04Å; D127-S129 PolarHBondContact OD1-OG 2.92Å; S129-S131 PolarHBondContact O-N 3.14Å; S129-V151 WeakPolarHBondContact OG-CG1 3.22Å; S129-Q153 CarbonylContact C-O 3.56Å; S129-Q153 VanDerWaalsContact CA-O 3.25Å; S129-Q153 WeakPolarHBondContact CA-O 3.42Å; S129-Q153 PolarHBondContact OG-N 2.94Å
130	G	94.5	Very high	97.4	Very high	32 Å²	32	34.4 Å²	34.4	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	18.1	-178.5	0	0	0	0	0	114.8	L128 Q153	L128-G130 PolarHBondContact O-N 2.89Å; G130-Q153 PolarHBondContact N-O 2.75Å
131	S	95.9	Very high	97.6	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.084	20%	0.197	C	C	.	.			trans	-78.9	-175	170.7	80.1	0	0	0	0	112.1	G108 L128 S129 V133 N155	G108-S131 WeakPolarHBondContact O-CA 3.33Å; L128-S131 VanDerWaalsContact O-CB 3.29Å; L128-S131 WeakPolarHBondContact O-CB 3.47Å; L128-S131 PolarHBondContact O-N 3.21Å; L128-S131 PolarHBondContact O-OG 3.23Å; S129-S131 PolarHBondContact O-N 3.14Å; S131-V133 WeakPolarHBondContact OG-CG1 3.44Å; S131-V133 WeakPolarHBondContact OG-CG2 3.42Å; S131-V133 PolarHBondContact OG-N 3.02Å; S131-N155 VanDerWaalsContact C-OD1 3.25Å; S131-N155 PolarHBondContact N-OD1 3.15Å; S131-N155 PolarHBondContact O-OD1 2.78Å; S131-N155 VanDerWaalsContact O-OD1 3.05Å; S131-N155 PolarHBondContact OG-OD1 2.81Å
132	N	95.4	Very high	97.7	Very high	84 Å²	84	31.6 Å²	31.6	45%	0.449	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-118.9	49.4	172.5	-172.6	38.7	0	0	0	110.3	V111 T112	V111-N132 CarbonylContact O-C 3.55Å; V111-N132 WeakPolarHBondContact O-CA 3.48Å; V111-N132 PolarHBondContact O-N 2.93Å; T112-N132 HydrophobicContact CG2-CB 4.34Å
133	V	98	Very high	97.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.192	C	C	.	.			trans	-87.2	153.4	171.4	-61.3	0	0	0	0	112	D113 V116 L128 S131 V137 F152 N155 I158	D113-V133 WeakPolarHBondContact OD1-CA 3.35Å; D113-V133 VanDerWaalsContact OD1-CB 3.23Å; D113-V133 WeakPolarHBondContact OD1-CB 3.42Å; V116-V133 HydrophobicContact CG2-CG1 4Å; L128-V133 HydrophobicContact CD1-CG1 4.47Å; S131-V133 WeakPolarHBondContact OG-CG1 3.44Å; S131-V133 WeakPolarHBondContact OG-CG2 3.42Å; S131-V133 PolarHBondContact OG-N 3.02Å; V133-V137 HydrophobicContact CB-CB 4.12Å; V133-V137 HydrophobicContact CB-CG1 4.18Å; V133-V137 HydrophobicContact CB-CG2 4.45Å; V133-V137 HydrophobicContact CG1-CB 4.29Å; V133-V137 HydrophobicContact CG1-CG2 4.11Å; V133-V137 HydrophobicContact CG2-CG1 4.29Å; V133-F152 HydrophobicContact CG2-CD1 3.96Å; V133-F152 HydrophobicContact CG2-CE1 3.96Å; V133-N155 HydrophobicContact CG2-CB 4.29Å; V133-N155 WeakPolarHBondContact CG2-OD1 3.48Å; V133-I158 HydrophobicContact CG2-CD1 4.14Å; V133-I158 HydrophobicContact CG2-CG1 4.21Å
134	T	98	Very high	97.8	Very high	54 Å²	54	34 Å²	34	33%	0.331	19%	0.192	S	C	.	.			trans	-118.8	-177.2	171.8	86.4	0	0	0	0	109.5	D113 G136 V137 N157 I158	D113-T134 PolarHBondContact OD1-N 3.25Å; D113-T134 WeakPolarHBondContact OD2-CB 3.42Å; D113-T134 PolarHBondContact OD2-N 3.17Å; D113-T134 PolarHBondContact OD2-OG1 3.27Å; T134-G136 PolarHBondContact O-N 3.18Å; T134-G136 PolarHBondContact OG1-N 3.14Å; T134-G136 VanDerWaalsContact OG1-N 3.1Å; T134-V137 VanDerWaalsContact O-CG1 3.26Å; T134-V137 WeakPolarHBondContact O-CG1 3.46Å; T134-V137 PolarHBondContact O-N 3.42Å; T134-V137 VanDerWaalsContact O-N 3.13Å; T134-N157 WeakPolarHBondContact CA-O 3.47Å; T134-N157 HydrophobicContact CG2-CB 3.96Å; T134-I158 WeakPolarHBondContact O-CD1 3.35Å
135	N	98.2	Very high	97.8	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.273	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-52.3	-21.3	170.9	-61.2	-32.1	0	0	0	113.8	V137 Y138 N157 T159	N135-V137 PolarHBondContact O-N 3.27Å; N135-Y138 HydrophobicContact CB-CD2 4.23Å; N135-Y138 HydrophobicContact CB-CE2 4.35Å; N135-Y138 WeakPolarHBondContact O-CB 3.46Å; N135-Y138 WeakPolarHBondContact O-CD2 3.38Å; N135-Y138 PolarHBondContact O-N 3.14Å; N135-Y138 VanDerWaalsContact O-N 3.15Å; N135-N157 PolarHBondContact N-O 2.75Å; N135-T159 PolarHBondContact ND2-OG1 2.98Å; N135-T159 PolarHBondContact OD1-N 3.47Å
136	G	98.4	Very high	97.7	Very high	37 Å²	37	34.8 Å²	34.8	38%	0.381	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-60.6	-20.7	176.1	0	0	0	0	0	115.2	T134 Y138	T134-G136 PolarHBondContact O-N 3.18Å; T134-G136 PolarHBondContact OG1-N 3.14Å; T134-G136 VanDerWaalsContact OG1-N 3.1Å; G136-Y138 PolarHBondContact O-N 2.86Å
137	V	98.5	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-66.9	-18.1	175	76	0	0	0	0	113.4	V116 L128 V133 T134 N135 D139 K140 I141 F152 I158	V116-V137 HydrophobicContact CB-CG2 4.16Å; V116-V137 HydrophobicContact CG1-CG2 3.94Å; V116-V137 HydrophobicContact CG2-CG2 4.22Å; L128-V137 HydrophobicContact CD1-CG2 4.2Å; V133-V137 HydrophobicContact CB-CB 4.12Å; V133-V137 HydrophobicContact CB-CG1 4.18Å; V133-V137 HydrophobicContact CB-CG2 4.45Å; V133-V137 HydrophobicContact CG1-CB 4.29Å; V133-V137 HydrophobicContact CG1-CG2 4.11Å; V133-V137 HydrophobicContact CG2-CG1 4.29Å; T134-V137 VanDerWaalsContact O-CG1 3.26Å; T134-V137 WeakPolarHBondContact O-CG1 3.46Å; T134-V137 PolarHBondContact O-N 3.42Å; T134-V137 VanDerWaalsContact O-N 3.13Å; N135-V137 PolarHBondContact O-N 3.27Å; V137-D139 VanDerWaalsContact C-N 3.27Å; V137-D139 PolarHBondContact O-N 2.76Å; V137-K140 PolarHBondContact O-N 3.11Å; V137-K140 VanDerWaalsContact O-N 3.12Å; V137-I141 HydrophobicContact CG1-CD1 3.95Å; V137-I141 HydrophobicContact CG2-CD1 3.93Å; V137-I141 HydrophobicContact CG2-CG1 4.35Å; V137-I141 PolarHBondContact O-N 2.84Å; V137-F152 HydrophobicContact CG1-CE1 3.81Å; V137-F152 HydrophobicContact CG1-CZ 3.96Å; V137-I158 HydrophobicContact CG1-CD1 4.07Å
138	Y	98.7	Very high	97.7	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-25.6	-177.4	-69.9	-50.2	0	0	0	113.9	N135 G136 K140 I141 T142 F152 I158 T160 P163 L164	N135-Y138 HydrophobicContact CB-CD2 4.23Å; N135-Y138 HydrophobicContact CB-CE2 4.35Å; N135-Y138 WeakPolarHBondContact O-CB 3.46Å; N135-Y138 WeakPolarHBondContact O-CD2 3.38Å; N135-Y138 PolarHBondContact O-N 3.14Å; N135-Y138 VanDerWaalsContact O-N 3.15Å; G136-Y138 PolarHBondContact O-N 2.86Å; Y138-K140 PolarHBondContact O-N 3.4Å; Y138-K140 VanDerWaalsContact O-N 3.07Å; Y138-I141 HydrophobicContact CD1-CB 4.43Å; Y138-I141 HydrophobicContact CD1-CG2 4.49Å; Y138-I141 PolarHBondContact O-N 3.31Å; Y138-T142 WeakPolarHBondContact O-CB 3.4Å; Y138-T142 VanDerWaalsContact O-CG2 3.23Å; Y138-T142 WeakPolarHBondContact O-CG2 3.41Å; Y138-T142 PolarHBondContact O-N 3Å; Y138-T142 PolarHBondContact O-OG1 3.23Å; Y138-F152 HydrophobicContact CD1-CZ 4.48Å; Y138-F152 AromaticContact CE1-CE2 3.72Å; Y138-F152 HydrophobicContact CE1-CE2 3.72Å; Y138-F152 AromaticContact CE1-CZ 3.64Å; Y138-F152 HydrophobicContact CE1-CZ 3.64Å; Y138-I158 HydrophobicContact CE2-CD1 4.3Å; Y138-I158 VanDerWaalsContact OH-CG2 3.26Å; Y138-I158 WeakPolarHBondContact OH-CG2 3.25Å; Y138-T160 HydrophobicContact CE2-CG2 4.26Å; Y138-T160 PolarHBondContact OH-O 2.84Å; Y138-P163 HydrophobicContact CD1-CB 4.3Å; Y138-P163 HydrophobicContact CD2-CB 4.12Å; Y138-P163 HydrophobicContact CD2-CG 3.77Å; Y138-P163 HydrophobicContact CE2-CG 4.43Å; Y138-P163 HydrophobicContact CG-CB 3.81Å; Y138-P163 HydrophobicContact CG-CG 3.98Å; Y138-L164 HydrophobicContact CD1-CD2 3.93Å; Y138-L164 HydrophobicContact CD1-CG 4.41Å; Y138-L164 HydrophobicContact CE1-CD1 4.25Å; Y138-L164 HydrophobicContact CE1-CD2 3.65Å; Y138-L164 HydrophobicContact CE1-CG 3.86Å
139	D	98.1	Very high	97.8	Very high	123 Å²	123	37.5 Å²	37.5	66%	0.658	22%	0.216	S	C	*	.	H	α-helix	trans	-60.6	-17.7	173.4	-78	5.9	0	0	0	113.7	V137 K143	V137-D139 VanDerWaalsContact C-N 3.27Å; V137-D139 PolarHBondContact O-N 2.76Å; D139-K143 WeakPolarHBondContact O-CE 3.39Å; D139-K143 PolarHBondContact O-NZ 2.79Å
140	K	98.2	Very high	97.9	Very high	40 Å²	40	36.8 Å²	36.8	17%	0.174	21%	0.211	C	C	.	.	H	α-helix	trans	-101.7	-46.9	173.9	-62.5	173.8	179.3	172.4	0	110.3	D113 Q114 V116 D118 V137 Y138 T142 K143 M144	D113-K140 PolarHBondContact O-NZ 2.94Å; Q114-K140 PolarHBondContact O-NZ 2.67Å; V116-K140 WeakPolarHBondContact O-CD 3.4Å; V116-K140 WeakPolarHBondContact O-CE 3.33Å; V116-K140 PolarHBondContact O-NZ 3.22Å; D118-K140 HydrophobicContact CB-CG 4.42Å; V137-K140 PolarHBondContact O-N 3.11Å; V137-K140 VanDerWaalsContact O-N 3.12Å; Y138-K140 PolarHBondContact O-N 3.4Å; Y138-K140 VanDerWaalsContact O-N 3.07Å; K140-T142 VanDerWaalsContact C-N 3.34Å; K140-T142 PolarHBondContact O-N 2.83Å; K140-K143 WeakPolarHBondContact O-CB 3.26Å; K140-K143 PolarHBondContact O-N 3.07Å; K140-M144 HydrophobicContact CB-CE 4.28Å
141	I	98.6	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-33.6	-175.1	-69	176.6	0	0	0	113	L126 L128 V137 Y138 K143 M144 L147 L150 F152 L164 L167	L126-I141 HydrophobicContact CD2-CD1 3.88Å; L126-I141 HydrophobicContact CD2-CG1 3.87Å; L128-I141 HydrophobicContact CD1-CD1 4Å; V137-I141 HydrophobicContact CG1-CD1 3.95Å; V137-I141 HydrophobicContact CG2-CD1 3.93Å; V137-I141 HydrophobicContact CG2-CG1 4.35Å; V137-I141 PolarHBondContact O-N 2.84Å; Y138-I141 HydrophobicContact CD1-CB 4.43Å; Y138-I141 HydrophobicContact CD1-CG2 4.49Å; Y138-I141 PolarHBondContact O-N 3.31Å; I141-K143 PolarHBondContact O-N 3.17Å; I141-M144 HydrophobicContact CB-SD 4.38Å; I141-M144 HydrophobicContact CG1-CE 3.96Å; I141-M144 HydrophobicContact CG1-SD 4.06Å; I141-M144 VanDerWaalsContact O-CB 3.3Å; I141-M144 WeakPolarHBondContact O-CB 3.47Å; I141-M144 PolarHBondContact O-N 2.87Å; I141-L147 HydrophobicContact CG2-CD2 4.2Å; I141-L150 HydrophobicContact CD1-CD1 4.15Å; I141-L150 HydrophobicContact CG2-CD2 3.83Å; I141-F152 HydrophobicContact CD1-CE1 3.94Å; I141-F152 HydrophobicContact CD1-CZ 3.54Å; I141-L164 HydrophobicContact CG2-CD2 3.85Å; I141-L167 HydrophobicContact CG2-CD1 3.99Å
142	T	98.2	Very high	98.1	Very high	40 Å²	40	35.1 Å²	35.1	25%	0.245	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.1	176	48.4	0	0	0	0	114.1	Y138 K140 M144 P163 V166	Y138-T142 WeakPolarHBondContact O-CB 3.4Å; Y138-T142 VanDerWaalsContact O-CG2 3.23Å; Y138-T142 WeakPolarHBondContact O-CG2 3.41Å; Y138-T142 PolarHBondContact O-N 3Å; Y138-T142 PolarHBondContact O-OG1 3.23Å; K140-T142 VanDerWaalsContact C-N 3.34Å; K140-T142 PolarHBondContact O-N 2.83Å; T142-M144 VanDerWaalsContact C-N 3.31Å; T142-P163 HydrophobicContact CG2-CB 4Å; T142-P163 WeakPolarHBondContact CG2-O 3.2Å; T142-V166 HydrophobicContact CG2-CG2 3.91Å
143	K	97.8	Very high	98.2	Very high	95 Å²	95	33.8 Å²	33.8	41%	0.413	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.2	176.2	-60.6	162.5	-178.3	151.3	0	113	D118 D139 K140 I141 T145	D118-K143 WeakPolarHBondContact OD1-CD 3.46Å; D118-K143 WeakPolarHBondContact OD2-CD 3.39Å; D118-K143 WeakPolarHBondContact OD2-CE 3.5Å; D118-K143 IonicContact OD2-NZ 2.77Å; D118-K143 PolarHBondContact OD2-NZ 2.69Å; D139-K143 WeakPolarHBondContact O-CE 3.39Å; D139-K143 PolarHBondContact O-NZ 2.79Å; K140-K143 WeakPolarHBondContact O-CB 3.26Å; K140-K143 PolarHBondContact O-N 3.07Å; I141-K143 PolarHBondContact O-N 3.17Å; K143-T145 PolarHBondContact O-N 3.46Å
144	M	97.9	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.			trans	-81.2	58.5	-176.8	-53	175	-168.5	0	0	110.5	F119 G120 I123 L126 K140 I141 T142 N146 L147 L167	F119-M144 HydrophobicContact CB-CE 4.15Å; F119-M144 HydrophobicContact CD2-CE 3.69Å; F119-M144 HydrophobicContact CD2-SD 4.39Å; F119-M144 HydrophobicContact CG-CE 4.41Å; G120-M144 VanDerWaalsContact O-CA 3.28Å; G120-M144 WeakPolarHBondContact O-CA 3.43Å; I123-M144 HydrophobicContact CD1-SD 3.68Å; I123-M144 HydrophobicContact CG1-CG 4.46Å; I123-M144 HydrophobicContact CG1-SD 4.17Å; L126-M144 HydrophobicContact CD2-CE 4.25Å; L126-M144 HydrophobicContact CD2-SD 3.8Å; K140-M144 HydrophobicContact CB-CE 4.28Å; I141-M144 HydrophobicContact CB-SD 4.38Å; I141-M144 HydrophobicContact CG1-CE 3.96Å; I141-M144 HydrophobicContact CG1-SD 4.06Å; I141-M144 VanDerWaalsContact O-CB 3.3Å; I141-M144 WeakPolarHBondContact O-CB 3.47Å; I141-M144 PolarHBondContact O-N 2.87Å; T142-M144 VanDerWaalsContact C-N 3.31Å; M144-N146 PolarHBondContact O-N 3.04Å; M144-L147 HydrophobicContact CB-CB 4.07Å; M144-L147 WeakPolarHBondContact O-CB 3.05Å; M144-L147 PolarHBondContact O-N 3.25Å; M144-L167 WeakPolarHBondContact O-CD2 3.18Å
145	T	97.4	Very high	98.1	Very high	71 Å²	71	34.6 Å²	34.6	44%	0.436	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7	-171.1	64	0	0	0	0	114.9	T121 K143	T121-T145 WeakPolarHBondContact CG2-OG1 3.34Å; K143-T145 PolarHBondContact O-N 3.46Å
146	N	98	Very high	97.9	Very high	50 Å²	50	35.6 Å²	35.6	27%	0.267	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	1.2	170.8	-76.1	-41.3	0	0	0	114	T121 I123 M144 E148 K169	T121-N146 PolarHBondContact O-ND2 2.71Å; I123-N146 CarbonylContact O-C 3.34Å; M144-N146 PolarHBondContact O-N 3.04Å; N146-E148 PolarHBondContact O-N 3.46Å; N146-K169 PolarHBondContact OD1-NZ 2.81Å
147	L	98.7	Very high	97.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.193	C	C	.	.			trans	-65.8	125	-179.3	-163.2	71.3	0	0	0	111	I123 L126 I141 M144 L150 L167 K169 L170	I123-L147 HydrophobicContact CD1-CD1 4.15Å; I123-L147 HydrophobicContact CG1-CD1 4.16Å; L126-L147 HydrophobicContact CB-CD1 3.8Å; I141-L147 HydrophobicContact CG2-CD2 4.2Å; M144-L147 HydrophobicContact CB-CB 4.07Å; M144-L147 WeakPolarHBondContact O-CB 3.05Å; M144-L147 PolarHBondContact O-N 3.25Å; L147-L150 HydrophobicContact CD2-CB 3.91Å; L147-L150 HydrophobicContact CD2-CD1 4.17Å; L147-L150 HydrophobicContact CD2-CD2 4.16Å; L147-L150 HydrophobicContact CD2-CG 4.31Å; L147-L167 HydrophobicContact CB-CD1 4.41Å; L147-L167 HydrophobicContact CD2-CD1 3.96Å; L147-K169 CarbonylContact O-C 3.4Å; L147-L170 HydrophobicContact CD2-CD1 4.15Å; L147-L170 HydrophobicContact CG-CD1 4.06Å; L147-L170 WeakPolarHBondContact O-CA 3.37Å; L147-L170 PolarHBondContact O-N 3.18Å
148	E	98.8	Very high	97.7	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	19%	0.193	S	C	.	.			trans	-106.8	-31.4	-178.3	-76.7	173.6	-168.7	0	0	111.5	T124 N146 K169 N171 E172	T124-E148 WeakPolarHBondContact O-CB 3.33Å; T124-E148 PolarHBondContact O-N 2.98Å; N146-E148 PolarHBondContact O-N 3.46Å; E148-K169 HydrophobicContact CG-CB 4.37Å; E148-N171 WeakPolarHBondContact CB-ND2 3.5Å; E148-N171 PolarHBondContact O-N 2.86Å; E148-N171 PolarHBondContact O-ND2 2.9Å; E148-N171 VanDerWaalsContact O-ND2 3.11Å; E148-E172 PolarHBondContact O-N 3.42Å; E148-E172 VanDerWaalsContact O-N 3.12Å
149	S	98.8	Very high	97.7	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.5	178.8	-174.2	0	0	0	0	111.7	T124 R125 L126 E172	T124-S149 PolarHBondContact O-N 3.14Å; T124-S149 VanDerWaalsContact O-N 3.14Å; R125-S149 WeakPolarHBondContact CA-O 3.48Å; R125-S149 PolarHBondContact NH1-OG 3.19Å; R125-S149 VanDerWaalsContact NH1-OG 3.16Å; L126-S149 PolarHBondContact N-O 2.92Å; L126-S149 VanDerWaalsContact N-O 3.08Å; S149-E172 WeakPolarHBondContact CA-O 3.44Å; S149-E172 VanDerWaalsContact CB-OE2 3.3Å; S149-E172 WeakPolarHBondContact CB-OE2 3.1Å; S149-E172 VanDerWaalsContact OG-CD 3.24Å; S149-E172 PolarHBondContact OG-OE2 3.25Å
150	L	98.8	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.4	178.6	-179.9	56.6	0	0	0	111.1	L126 I141 L147 F152 L164 L170 E172 L173 R174	L126-L150 HydrophobicContact CB-CD1 4.08Å; L126-L150 HydrophobicContact CD2-CD1 4.09Å; L126-L150 HydrophobicContact CG-CD1 4.17Å; L126-L150 WeakPolarHBondContact O-CA 3.26Å; I141-L150 HydrophobicContact CD1-CD1 4.15Å; I141-L150 HydrophobicContact CG2-CD2 3.83Å; L147-L150 HydrophobicContact CD2-CB 3.91Å; L147-L150 HydrophobicContact CD2-CD1 4.17Å; L147-L150 HydrophobicContact CD2-CD2 4.16Å; L147-L150 HydrophobicContact CD2-CG 4.31Å; L150-F152 HydrophobicContact CD1-CD2 4.41Å; L150-F152 HydrophobicContact CD1-CE2 4.04Å; L150-F152 HydrophobicContact CD1-CZ 4.18Å; L150-F152 HydrophobicContact CD2-CD2 4.26Å; L150-F152 HydrophobicContact CD2-CE2 3.53Å; L150-F152 HydrophobicContact CD2-CZ 4.11Å; L150-F152 HydrophobicContact CG-CD2 4.05Å; L150-F152 HydrophobicContact CG-CE2 3.76Å; L150-F152 HydrophobicContact CG-CZ 4.37Å; L150-L164 HydrophobicContact CD2-CD1 3.9Å; L150-L164 HydrophobicContact CD2-CD2 3.47Å; L150-L164 VanDerWaalsContact CD2-CD2 3.47Å; L150-L164 HydrophobicContact CD2-CG 4.36Å; L150-L170 HydrophobicContact CB-CD1 3.73Å; L150-L170 HydrophobicContact CB-CD2 4.44Å; L150-E172 PolarHBondContact N-O 3.36Å; L150-L173 HydrophobicContact CB-CD1 4.12Å; L150-L173 HydrophobicContact CD2-CD1 4.26Å; L150-L173 HydrophobicContact CG-CD1 4.19Å; L150-L173 WeakPolarHBondContact O-CA 3.45Å; L150-R174 PolarHBondContact O-N 3.43Å
151	V	98.7	Very high	97.7	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.2	-176.8	-166.8	0	0	0	0	110.4	L126 D127 L128 S129 Q153 R174	L126-V151 PolarHBondContact O-N 3.12Å; D127-V151 HydrophobicContact CB-CB 3.98Å; D127-V151 HydrophobicContact CB-CG2 4.24Å; D127-V151 VanDerWaalsContact CG-CB 3.48Å; L128-V151 PolarHBondContact N-O 3.07Å; S129-V151 WeakPolarHBondContact OG-CG1 3.22Å; V151-Q153 HydrophobicContact CG1-CG 3.84Å; V151-R174 CarbonylContact C-O 3.57Å; V151-R174 WeakPolarHBondContact CA-O 3.35Å; V151-R174 HydrophobicContact CB-CB 4.15Å; V151-R174 HydrophobicContact CG1-CB 3.71Å; V151-R174 HydrophobicContact CG2-CB 4.09Å; V151-R174 HydrophobicContact CG2-CG 4.46Å
152	F	97.9	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.			trans	-132.7	29.6	178.6	-70.3	-70.4	0	0	0	111.5	L128 V133 V137 Y138 I141 L150 S154 N155 I158 R174 V175 C178	L128-F152 HydrophobicContact CB-CD1 4.12Å; L128-F152 HydrophobicContact CD1-CD1 4.22Å; L128-F152 HydrophobicContact CD1-CE1 3.76Å; V133-F152 HydrophobicContact CG2-CD1 3.96Å; V133-F152 HydrophobicContact CG2-CE1 3.96Å; V137-F152 HydrophobicContact CG1-CE1 3.81Å; V137-F152 HydrophobicContact CG1-CZ 3.96Å; Y138-F152 HydrophobicContact CD1-CZ 4.48Å; Y138-F152 AromaticContact CE1-CE2 3.72Å; Y138-F152 HydrophobicContact CE1-CE2 3.72Å; Y138-F152 AromaticContact CE1-CZ 3.64Å; Y138-F152 HydrophobicContact CE1-CZ 3.64Å; I141-F152 HydrophobicContact CD1-CE1 3.94Å; I141-F152 HydrophobicContact CD1-CZ 3.54Å; L150-F152 HydrophobicContact CD1-CD2 4.41Å; L150-F152 HydrophobicContact CD1-CE2 4.04Å; L150-F152 HydrophobicContact CD1-CZ 4.18Å; L150-F152 HydrophobicContact CD2-CD2 4.26Å; L150-F152 HydrophobicContact CD2-CE2 3.53Å; L150-F152 HydrophobicContact CD2-CZ 4.11Å; L150-F152 HydrophobicContact CG-CD2 4.05Å; L150-F152 HydrophobicContact CG-CE2 3.76Å; L150-F152 HydrophobicContact CG-CZ 4.37Å; F152-S154 PolarHBondContact O-N 2.79Å; F152-N155 WeakPolarHBondContact CA-ND2 3.5Å; F152-N155 HydrophobicContact CB-CB 4.42Å; F152-N155 WeakPolarHBondContact O-CB 3.36Å; F152-N155 PolarHBondContact O-N 2.58Å; F152-N155 VanDerWaalsContact O-N 3.1Å; F152-N155 PolarHBondContact O-ND2 2.9Å; F152-I158 HydrophobicContact CD1-CD1 4.17Å; F152-I158 HydrophobicContact CD1-CG1 4.03Å; F152-I158 HydrophobicContact CE1-CD1 3.88Å; F152-I158 HydrophobicContact CE1-CG1 4.27Å; F152-I158 HydrophobicContact CG-CG1 4.24Å; F152-I158 HydrophobicContact CZ-CD1 4.07Å; F152-R174 PolarHBondContact N-O 2.81Å; F152-V175 HydrophobicContact CB-CG1 4.29Å; F152-V175 HydrophobicContact CD2-CG1 4.02Å; F152-C178 PolarHBondContact O-SG 2.97Å
153	Q	96.7	Very high	97.7	Very high	57 Å²	57	36.3 Å²	36.3	27%	0.266	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	134.1	-171.4	-64.9	175.5	29.3	0	0	111.8	S129 G130 V151 N155 R174 Q176	S129-Q153 CarbonylContact C-O 3.56Å; S129-Q153 VanDerWaalsContact CA-O 3.25Å; S129-Q153 WeakPolarHBondContact CA-O 3.42Å; S129-Q153 PolarHBondContact OG-N 2.94Å; G130-Q153 PolarHBondContact N-O 2.75Å; V151-Q153 HydrophobicContact CG1-CG 3.84Å; Q153-N155 VanDerWaalsContact C-N 3.32Å; Q153-N155 PolarHBondContact O-N 2.92Å; Q153-N155 PolarHBondContact O-ND2 3.13Å; Q153-R174 HydrophobicContact CG-CB 4.5Å; Q153-Q176 CarbonylContact C-O 3.55Å; Q153-Q176 WeakPolarHBondContact CA-O 3.23Å; Q153-Q176 HydrophobicContact CG-CB 4.4Å; Q153-Q176 VanDerWaalsContact NE2-NE2 3.18Å
154	S	96.4	Very high	97.8	Very high	69 Å²	69	31.8 Å²	31.8	48%	0.483	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	22.7	-177.3	-49.8	0	0	0	0	116.4	F152 M156 Q176	F152-S154 PolarHBondContact O-N 2.79Å; S154-M156 PolarHBondContact O-N 2.86Å; S154-Q176 PolarHBondContact N-O 3.26Å
155	N	96.5	Very high	97.8	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	18%	0.177	C	C	.	.			trans	-94.3	82.9	168.8	-65.4	-91.3	0	0	0	110.4	L128 S131 V133 F152 Q153 N157 I158	L128-N155 PolarHBondContact O-ND2 3.29Å; L128-N155 PolarHBondContact O-OD1 3.09Å; S131-N155 VanDerWaalsContact C-OD1 3.25Å; S131-N155 PolarHBondContact N-OD1 3.15Å; S131-N155 PolarHBondContact O-OD1 2.78Å; S131-N155 VanDerWaalsContact O-OD1 3.05Å; S131-N155 PolarHBondContact OG-OD1 2.81Å; V133-N155 HydrophobicContact CG2-CB 4.29Å; V133-N155 WeakPolarHBondContact CG2-OD1 3.48Å; F152-N155 WeakPolarHBondContact CA-ND2 3.5Å; F152-N155 HydrophobicContact CB-CB 4.42Å; F152-N155 WeakPolarHBondContact O-CB 3.36Å; F152-N155 PolarHBondContact O-N 2.58Å; F152-N155 VanDerWaalsContact O-N 3.1Å; F152-N155 PolarHBondContact O-ND2 2.9Å; Q153-N155 VanDerWaalsContact C-N 3.32Å; Q153-N155 PolarHBondContact O-N 2.92Å; Q153-N155 PolarHBondContact O-ND2 3.13Å; N155-N157 PolarHBondContact O-N 3.14Å; N155-I158 HydrophobicContact CB-CB 4.5Å; N155-I158 HydrophobicContact CB-CG1 3.88Å; N155-I158 WeakPolarHBondContact O-CB 3.15Å; N155-I158 PolarHBondContact O-N 2.78Å
156	M	94.3	Very high	97.8	Very high	71 Å²	71	32.4 Å²	32.4	35%	0.35	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.6	-176	-164.5	171.3	72.2	0	0	114.1	S154 I158 R204 N205	S154-M156 PolarHBondContact O-N 2.86Å; M156-I158 VanDerWaalsContact C-N 3.34Å; M156-R204 WeakPolarHBondContact SD-CD 3.37Å; M156-N205 PolarHBondContact O-ND2 2.76Å
157	N	96.1	Very high	97.8	Very high	55 Å²	55	30.2 Å²	30.2	29%	0.294	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.7	179.6	-59.1	-23.6	0	0	0	114.1	T134 N135 N155 N205	T134-N157 WeakPolarHBondContact CA-O 3.47Å; T134-N157 HydrophobicContact CG2-CB 3.96Å; N135-N157 PolarHBondContact N-O 2.75Å; N155-N157 PolarHBondContact O-N 3.14Å; N157-N205 PolarHBondContact OD1-ND2 2.79Å
158	I	97.9	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.			trans	-85.6	108.8	163	-65	-69.7	0	0	0	107.5	V133 T134 V137 Y138 F152 N155 M156 C178 G179 I180	V133-I158 HydrophobicContact CG2-CD1 4.14Å; V133-I158 HydrophobicContact CG2-CG1 4.21Å; T134-I158 WeakPolarHBondContact O-CD1 3.35Å; V137-I158 HydrophobicContact CG1-CD1 4.07Å; Y138-I158 HydrophobicContact CE2-CD1 4.3Å; Y138-I158 VanDerWaalsContact OH-CG2 3.26Å; Y138-I158 WeakPolarHBondContact OH-CG2 3.25Å; F152-I158 HydrophobicContact CD1-CD1 4.17Å; F152-I158 HydrophobicContact CD1-CG1 4.03Å; F152-I158 HydrophobicContact CE1-CD1 3.88Å; F152-I158 HydrophobicContact CE1-CG1 4.27Å; F152-I158 HydrophobicContact CG-CG1 4.24Å; F152-I158 HydrophobicContact CZ-CD1 4.07Å; N155-I158 HydrophobicContact CB-CB 4.5Å; N155-I158 HydrophobicContact CB-CG1 3.88Å; N155-I158 WeakPolarHBondContact O-CB 3.15Å; N155-I158 PolarHBondContact O-N 2.78Å; M156-I158 VanDerWaalsContact C-N 3.34Å; I158-C178 HydrophobicContact CB-CB 4.38Å; I158-G179 WeakPolarHBondContact O-CA 3.2Å; I158-G179 PolarHBondContact O-N 3.16Å; I158-I180 HydrophobicContact CG2-CD1 4.32Å; I158-I180 HydrophobicContact CG2-CG1 4.27Å
159	T	97.2	Very high	97.8	Very high	32 Å²	32	37.2 Å²	37.2	20%	0.196	20%	0.195	C	C	.	.			trans	-117.8	-3.2	-173.7	65.3	0	0	0	0	114.3	N135 G179 I180 T181	N135-T159 PolarHBondContact ND2-OG1 2.98Å; N135-T159 PolarHBondContact OD1-N 3.47Å; T159-G179 WeakPolarHBondContact CA-O 3.16Å; T159-I180 WeakPolarHBondContact O-CA 3.09Å; T159-T181 PolarHBondContact O-N 3.39Å
160	T	98	Very high	97.8	Very high	39 Å²	39	37.1 Å²	37.1	24%	0.239	19%	0.194	C	C	.	.			trans	-139.3	161.4	173.9	-175	0	0	0	0	111.2	Y138 E162	Y138-T160 HydrophobicContact CE2-CG2 4.26Å; Y138-T160 PolarHBondContact OH-O 2.84Å; T160-E162 WeakPolarHBondContact OG1-CB 3.36Å; T160-E162 PolarHBondContact OG1-N 3.06Å; T160-E162 VanDerWaalsContact OG1-N 3.14Å
161	I	98.6	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.			trans	-123.6	5.5	168.8	58.2	167	0	0	0	112.4	L164 L173 I180 F183 P185 I186	I161-L164 HydrophobicContact CB-CD1 4.22Å; I161-L164 HydrophobicContact CG2-CD1 4.31Å; I161-L164 WeakPolarHBondContact O-CB 3.24Å; I161-L164 PolarHBondContact O-N 2.65Å; I161-L164 VanDerWaalsContact O-N 3.09Å; I161-L173 HydrophobicContact CB-CD2 4.46Å; I161-L173 HydrophobicContact CD1-CD2 4.43Å; I161-L173 HydrophobicContact CG2-CD2 4.09Å; I161-I180 HydrophobicContact CG1-CG2 4.46Å; I161-I180 HydrophobicContact CG2-CD1 3.58Å; I161-I180 HydrophobicContact CG2-CG1 4.17Å; I161-I180 HydrophobicContact CG2-CG2 4.28Å; I161-F183 HydrophobicContact CD1-CD1 3.87Å; I161-F183 HydrophobicContact CD1-CE1 4.4Å; I161-P185 HydrophobicContact CG1-CB 4.28Å; I161-P185 HydrophobicContact CG1-CG 4.32Å; I161-I186 HydrophobicContact CD1-CG2 3.61Å
162	E	98.5	Very high	97.8	Very high	106 Å²	106	39.6 Å²	39.6	50%	0.495	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.1	-40.4	-176.7	-174.9	-79.1	165.3	0	0	113.9	T160 L164 T165 P185	T160-E162 WeakPolarHBondContact OG1-CB 3.36Å; T160-E162 PolarHBondContact OG1-N 3.06Å; T160-E162 VanDerWaalsContact OG1-N 3.14Å; E162-L164 PolarHBondContact O-N 3.05Å; E162-L164 VanDerWaalsContact O-N 3.13Å; E162-T165 WeakPolarHBondContact O-CB 3.38Å; E162-T165 WeakPolarHBondContact O-CG2 3.46Å; E162-T165 PolarHBondContact O-N 2.8Å; E162-T165 VanDerWaalsContact O-N 3.11Å; E162-T165 PolarHBondContact O-OG1 3.19Å; E162-P185 HydrophobicContact CB-CB 4.39Å; E162-P185 HydrophobicContact CB-CG 3.96Å; E162-P185 HydrophobicContact CG-CG 4.42Å
163	P	98.7	Very high	97.8	Very high	29 Å²	29	39.6 Å²	39.6	19%	0.188	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.5	177.1	-27.8	37.8	0	0	0	114	Y138 T142 T165	Y138-P163 HydrophobicContact CD1-CB 4.3Å; Y138-P163 HydrophobicContact CD2-CB 4.12Å; Y138-P163 HydrophobicContact CD2-CG 3.77Å; Y138-P163 HydrophobicContact CE2-CG 4.43Å; Y138-P163 HydrophobicContact CG-CB 3.81Å; Y138-P163 HydrophobicContact CG-CG 3.98Å; T142-P163 HydrophobicContact CG2-CB 4Å; T142-P163 WeakPolarHBondContact CG2-O 3.2Å; P163-T165 PolarHBondContact O-N 2.93Å
164	L	98.8	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-70.7	-11.2	179.4	-59.3	178.3	0	0	0	113.1	Y138 I141 L150 I161 E162 V166 L167 L170 L173 M189	Y138-L164 HydrophobicContact CD1-CD2 3.93Å; Y138-L164 HydrophobicContact CD1-CG 4.41Å; Y138-L164 HydrophobicContact CE1-CD1 4.25Å; Y138-L164 HydrophobicContact CE1-CD2 3.65Å; Y138-L164 HydrophobicContact CE1-CG 3.86Å; I141-L164 HydrophobicContact CG2-CD2 3.85Å; L150-L164 HydrophobicContact CD2-CD1 3.9Å; L150-L164 HydrophobicContact CD2-CD2 3.47Å; L150-L164 VanDerWaalsContact CD2-CD2 3.47Å; L150-L164 HydrophobicContact CD2-CG 4.36Å; I161-L164 HydrophobicContact CB-CD1 4.22Å; I161-L164 HydrophobicContact CG2-CD1 4.31Å; I161-L164 WeakPolarHBondContact O-CB 3.24Å; I161-L164 PolarHBondContact O-N 2.65Å; I161-L164 VanDerWaalsContact O-N 3.09Å; E162-L164 PolarHBondContact O-N 3.05Å; E162-L164 VanDerWaalsContact O-N 3.13Å; L164-V166 PolarHBondContact O-N 3.03Å; L164-V166 VanDerWaalsContact O-N 3.12Å; L164-L167 HydrophobicContact CD2-CD1 3.87Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.05Å; L164-L170 HydrophobicContact CB-CD2 4.45Å; L164-L170 HydrophobicContact CD1-CD2 4.39Å; L164-L173 HydrophobicContact CD1-CD1 3.74Å; L164-L173 HydrophobicContact CD1-CD2 3.81Å; L164-L173 HydrophobicContact CD1-CG 4.47Å; L164-M189 HydrophobicContact CB-CE 3.7Å; L164-M189 HydrophobicContact CB-SD 4.42Å
165	T	98.4	Very high	98	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.067	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-58.3	-23.6	177	57.5	0	0	0	0	113.4	E162 P163 L167 K168 P185 Q188 M189	E162-T165 WeakPolarHBondContact O-CB 3.38Å; E162-T165 WeakPolarHBondContact O-CG2 3.46Å; E162-T165 PolarHBondContact O-N 2.8Å; E162-T165 VanDerWaalsContact O-N 3.11Å; E162-T165 PolarHBondContact O-OG1 3.19Å; P163-T165 PolarHBondContact O-N 2.93Å; T165-L167 VanDerWaalsContact C-N 3.35Å; T165-K168 WeakPolarHBondContact O-CE 3.39Å; T165-K168 PolarHBondContact O-NZ 3.23Å; T165-P185 HydrophobicContact CG2-CB 3.84Å; T165-Q188 HydrophobicContact CG2-CB 3.9Å; T165-M189 HydrophobicContact CG2-CG 4.23Å
166	V	98.1	Very high	98.1	Very high	73 Å²	73	37.9 Å²	37.9	44%	0.442	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-73.4	-22.7	175.7	-52.6	0	0	0	0	113.5	T142 L164 K168	T142-V166 HydrophobicContact CG2-CG2 3.91Å; L164-V166 PolarHBondContact O-N 3.03Å; L164-V166 VanDerWaalsContact O-N 3.12Å; V166-K168 WeakPolarHBondContact O-CG 3.24Å; V166-K168 PolarHBondContact O-N 3.2Å
167	L	98.3	Very high	98.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	19%	0.193	C	C	.	.			trans	-81.6	77.7	-172.8	-60.7	-174.2	0	0	0	112.1	I141 M144 L147 L164 T165 K169 L170	I141-L167 HydrophobicContact CG2-CD1 3.99Å; M144-L167 WeakPolarHBondContact O-CD2 3.18Å; L147-L167 HydrophobicContact CB-CD1 4.41Å; L147-L167 HydrophobicContact CD2-CD1 3.96Å; L164-L167 HydrophobicContact CD2-CD1 3.87Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.05Å; T165-L167 VanDerWaalsContact C-N 3.35Å; L167-K169 PolarHBondContact O-N 3.32Å; L167-L170 HydrophobicContact CB-CB 4.03Å; L167-L170 WeakPolarHBondContact O-CB 3.3Å; L167-L170 PolarHBondContact O-N 3.13Å
168	K	97.7	Very high	98.3	Very high	122 Å²	122	36.9 Å²	36.9	53%	0.53	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-3.3	-171.5	-53.8	-48	-175.1	-175.9	0	116.1	T165 V166 A191	T165-K168 WeakPolarHBondContact O-CE 3.39Å; T165-K168 PolarHBondContact O-NZ 3.23Å; V166-K168 WeakPolarHBondContact O-CG 3.24Å; V166-K168 PolarHBondContact O-N 3.2Å; K168-A191 WeakPolarHBondContact O-CB 3.37Å
169	K	98.5	Very high	98.2	Very high	97 Å²	97	37 Å²	37	42%	0.422	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-8.9	172.9	-65.5	-165	-173.9	175.5	0	114.7	N146 L147 E148 L167 N171	N146-K169 PolarHBondContact OD1-NZ 2.81Å; L147-K169 CarbonylContact O-C 3.4Å; E148-K169 HydrophobicContact CG-CB 4.37Å; L167-K169 PolarHBondContact O-N 3.32Å; K169-N171 PolarHBondContact O-N 2.83Å; K169-N171 PolarHBondContact O-ND2 3.46Å
170	L	98.8	Very high	98.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.171	C	C	.	.			trans	-66.6	110.2	-174.6	-167.1	74.4	0	0	0	109.8	L147 L150 L164 L167 L173 M189 A191 L192	L147-L170 HydrophobicContact CD2-CD1 4.15Å; L147-L170 HydrophobicContact CG-CD1 4.06Å; L147-L170 WeakPolarHBondContact O-CA 3.37Å; L147-L170 PolarHBondContact O-N 3.18Å; L150-L170 HydrophobicContact CB-CD1 3.73Å; L150-L170 HydrophobicContact CB-CD2 4.44Å; L164-L170 HydrophobicContact CB-CD2 4.45Å; L164-L170 HydrophobicContact CD1-CD2 4.39Å; L167-L170 HydrophobicContact CB-CB 4.03Å; L167-L170 WeakPolarHBondContact O-CB 3.3Å; L167-L170 PolarHBondContact O-N 3.13Å; L170-L173 HydrophobicContact CD2-CD1 4.48Å; L170-M189 HydrophobicContact CD2-CE 3.71Å; L170-A191 CarbonylContact O-C 3.35Å; L170-L192 HydrophobicContact CG-CD1 4.38Å; L170-L192 WeakPolarHBondContact O-CA 3.22Å; L170-L192 PolarHBondContact O-N 2.98Å
171	N	98.5	Very high	98.2	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	17%	0.169	C	C	.	.			trans	-105	-22.9	-178.9	63.7	84.3	0	0	0	113.1	E148 K169 A191 T193 Q194	E148-N171 WeakPolarHBondContact CB-ND2 3.5Å; E148-N171 PolarHBondContact O-N 2.86Å; E148-N171 PolarHBondContact O-ND2 2.9Å; E148-N171 VanDerWaalsContact O-ND2 3.11Å; K169-N171 PolarHBondContact O-N 2.83Å; K169-N171 PolarHBondContact O-ND2 3.46Å; N171-A191 VanDerWaalsContact CA-O 3.29Å; N171-A191 WeakPolarHBondContact CA-O 3.21Å; N171-A191 WeakPolarHBondContact CB-O 3.36Å; N171-T193 PolarHBondContact O-N 3.44Å; N171-Q194 PolarHBondContact O-N 3.2Å
172	E	98.8	Very high	98.2	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.7	-179.2	180	177.6	-150.6	0	0	111	R125 E148 S149 L150 R174 Q194	R125-E172 IonicContact CZ-OE2 2.98Å; R125-E172 IonicContact NH1-OE2 2.71Å; R125-E172 PolarHBondContact NH1-OE2 3.11Å; R125-E172 IonicContact NH2-OE2 2.69Å; E148-E172 PolarHBondContact O-N 3.42Å; E148-E172 VanDerWaalsContact O-N 3.12Å; S149-E172 WeakPolarHBondContact CA-O 3.44Å; S149-E172 VanDerWaalsContact CB-OE2 3.3Å; S149-E172 WeakPolarHBondContact CB-OE2 3.1Å; S149-E172 VanDerWaalsContact OG-CD 3.24Å; S149-E172 PolarHBondContact OG-OE2 3.25Å; L150-E172 PolarHBondContact N-O 3.36Å; E172-R174 HydrophobicContact CG-CG 4.31Å; E172-R174 IonicContact OE1-CZ 2.74Å; E172-R174 IonicContact OE1-NE 3.95Å; E172-R174 PolarHBondContact OE1-NE 2.77Å; E172-R174 IonicContact OE1-NH2 3.86Å; E172-R174 PolarHBondContact OE1-NH2 2.95Å; E172-Q194 HydrophobicContact CB-CB 4.38Å; E172-Q194 HydrophobicContact CG-CB 4.37Å
173	L	98.9	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.3	174.5	-177.9	58.6	0	0	0	110.1	L150 I161 L164 L170 V175 L192 Q194 L195 A196	L150-L173 HydrophobicContact CB-CD1 4.12Å; L150-L173 HydrophobicContact CD2-CD1 4.26Å; L150-L173 HydrophobicContact CG-CD1 4.19Å; L150-L173 WeakPolarHBondContact O-CA 3.45Å; I161-L173 HydrophobicContact CB-CD2 4.46Å; I161-L173 HydrophobicContact CD1-CD2 4.43Å; I161-L173 HydrophobicContact CG2-CD2 4.09Å; L164-L173 HydrophobicContact CD1-CD1 3.74Å; L164-L173 HydrophobicContact CD1-CD2 3.81Å; L164-L173 HydrophobicContact CD1-CG 4.47Å; L170-L173 HydrophobicContact CD2-CD1 4.48Å; L173-V175 HydrophobicContact CD1-CG1 3.63Å; L173-V175 HydrophobicContact CD2-CG1 4.42Å; L173-V175 HydrophobicContact CG-CG1 3.84Å; L173-L192 HydrophobicContact CB-CD1 3.75Å; L173-L192 HydrophobicContact CB-CD2 4.47Å; L173-Q194 PolarHBondContact N-O 2.9Å; L173-L195 HydrophobicContact CB-CD1 4.04Å; L173-L195 HydrophobicContact CD2-CD1 3.95Å; L173-L195 HydrophobicContact CG-CD1 3.98Å; L173-L195 WeakPolarHBondContact O-CA 3.29Å; L173-A196 PolarHBondContact O-N 3.05Å
174	R	98.8	Very high	98.2	Very high	81 Å²	81	36.4 Å²	36.4	31%	0.306	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	98.5	-175.4	-68.9	-174.9	-177.8	-92.7	-4.5	110.6	L150 V151 F152 Q153 E172 A196	L150-R174 PolarHBondContact O-N 3.43Å; V151-R174 CarbonylContact C-O 3.57Å; V151-R174 WeakPolarHBondContact CA-O 3.35Å; V151-R174 HydrophobicContact CB-CB 4.15Å; V151-R174 HydrophobicContact CG1-CB 3.71Å; V151-R174 HydrophobicContact CG2-CB 4.09Å; V151-R174 HydrophobicContact CG2-CG 4.46Å; F152-R174 PolarHBondContact N-O 2.81Å; Q153-R174 HydrophobicContact CG-CB 4.5Å; E172-R174 HydrophobicContact CG-CG 4.31Å; E172-R174 IonicContact OE1-CZ 2.74Å; E172-R174 IonicContact OE1-NE 3.95Å; E172-R174 PolarHBondContact OE1-NE 2.77Å; E172-R174 IonicContact OE1-NH2 3.86Å; E172-R174 PolarHBondContact OE1-NH2 2.95Å; R174-A196 CarbonylContact C-O 3.58Å; R174-A196 WeakPolarHBondContact CA-O 3.03Å; R174-A196 HydrophobicContact CG-CB 4.17Å
175	V	98.6	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.			trans	-127.3	32.1	-169.3	-66.1	0	0	0	0	111.6	F152 L173 C178 I180 F183 L195 A196 A197 Q200	F152-V175 HydrophobicContact CB-CG1 4.29Å; F152-V175 HydrophobicContact CD2-CG1 4.02Å; L173-V175 HydrophobicContact CD1-CG1 3.63Å; L173-V175 HydrophobicContact CD2-CG1 4.42Å; L173-V175 HydrophobicContact CG-CG1 3.84Å; V175-C178 VanDerWaalsContact C-SG 3.56Å; V175-C178 HydrophobicContact CB-CB 4.42Å; V175-C178 WeakPolarHBondContact O-CB 3.41Å; V175-C178 PolarHBondContact O-N 3Å; V175-C178 PolarHBondContact O-SG 2.88Å; V175-I180 HydrophobicContact CB-CD1 3.47Å; V175-I180 VanDerWaalsContact CB-CD1 3.47Å; V175-I180 HydrophobicContact CG1-CD1 3.91Å; V175-I180 HydrophobicContact CG2-CD1 3.46Å; V175-I180 VanDerWaalsContact CG2-CD1 3.46Å; V175-F183 HydrophobicContact CG2-CE1 4.48Å; V175-L195 HydrophobicContact CG2-CD1 4.13Å; V175-A196 PolarHBondContact N-O 2.88Å; V175-A197 HydrophobicContact CG2-CB 3.57Å; V175-Q200 PolarHBondContact O-NE2 2.81Å
176	Q	98.3	Very high	98.2	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.056	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	145	178.2	-50.4	104	-92.7	0	0	111	Q153 S154 C178 A196 F198	Q153-Q176 CarbonylContact C-O 3.55Å; Q153-Q176 WeakPolarHBondContact CA-O 3.23Å; Q153-Q176 HydrophobicContact CG-CB 4.4Å; Q153-Q176 VanDerWaalsContact NE2-NE2 3.18Å; S154-Q176 PolarHBondContact N-O 3.26Å; Q176-C178 PolarHBondContact O-N 2.84Å; Q176-A196 HydrophobicContact CG-CB 4.06Å; Q176-A196 PolarHBondContact N-O 3.44Å; Q176-A196 PolarHBondContact OE1-O 3.34Å; Q176-F198 VanDerWaalsContact CA-O 3.3Å; Q176-F198 WeakPolarHBondContact CA-O 3.21Å; Q176-F198 HydrophobicContact CB-CD1 4.36Å; Q176-F198 HydrophobicContact CB-CD2 4.48Å; Q176-F198 HydrophobicContact CB-CE1 4.27Å; Q176-F198 HydrophobicContact CB-CE2 4.39Å; Q176-F198 HydrophobicContact CB-CG 4.44Å; Q176-F198 HydrophobicContact CB-CZ 4.28Å; Q176-F198 WeakPolarHBondContact CB-O 3.5Å; Q176-F198 HydrophobicContact CG-CD1 3.65Å; Q176-F198 HydrophobicContact CG-CE1 3.68Å; Q176-F198 HydrophobicContact CG-CG 4.12Å; Q176-F198 HydrophobicContact CG-CZ 4.18Å
177	F	97.2	Very high	98.1	Very high	105 Å²	105	36.9 Å²	36.9	46%	0.461	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	30.4	-176.5	-46.9	-66.3	0	0	0	114.8	F198 G199	F177-F198 HydrophobicContact CE1-CD2 4.47Å; F177-F198 HydrophobicContact CE1-CE2 4.03Å; F177-F198 AromaticContact CE2-CE2 3.89Å; F177-F198 HydrophobicContact CE2-CE2 3.89Å; F177-F198 HydrophobicContact CE2-CZ 4.31Å; F177-F198 HydrophobicContact CZ-CD2 4.38Å; F177-F198 AromaticContact CZ-CE2 3.52Å; F177-F198 HydrophobicContact CZ-CE2 3.52Å; F177-F198 HydrophobicContact CZ-CZ 4.3Å; F177-F198 PolarHBondContact N-O 2.85Å; F177-G199 WeakPolarHBondContact CA-O 3.26Å
178	C	98	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-91.7	-174.2	166.7	-62.2	0	0	0	0	110.4	F152 I158 V175 Q176 I180 Q200 N201	F152-C178 PolarHBondContact O-SG 2.97Å; I158-C178 HydrophobicContact CB-CB 4.38Å; V175-C178 VanDerWaalsContact C-SG 3.56Å; V175-C178 HydrophobicContact CB-CB 4.42Å; V175-C178 WeakPolarHBondContact O-CB 3.41Å; V175-C178 PolarHBondContact O-N 3Å; V175-C178 PolarHBondContact O-SG 2.88Å; Q176-C178 PolarHBondContact O-N 2.84Å; C178-I180 HydrophobicContact CB-CD1 3.96Å; C178-I180 HydrophobicContact CB-CG1 4.12Å; C178-Q200 CarbonylContact O-C 3.57Å; C178-Q200 VanDerWaalsContact O-CA 3.3Å; C178-Q200 WeakPolarHBondContact O-CA 3.25Å; C178-Q200 PolarHBondContact O-OE1 3.47Å; C178-N201 PolarHBondContact O-N 3.04Å
179	G	96.5	Very high	98.2	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	17%	0.169	C	C	.	.			trans	-107.2	27.4	177.6	0	0	0	0	0	114.3	I158 T159 T181 N201	I158-G179 WeakPolarHBondContact O-CA 3.2Å; I158-G179 PolarHBondContact O-N 3.16Å; T159-G179 WeakPolarHBondContact CA-O 3.16Å; G179-T181 PolarHBondContact O-N 3.16Å; G179-N201 WeakPolarHBondContact CA-O 3.45Å
180	I	98.1	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.			trans	-73.4	122.6	-166.2	-61.9	155.9	0	0	0	112	I158 T159 I161 V175 C178 F183 T202	I158-I180 HydrophobicContact CG2-CD1 4.32Å; I158-I180 HydrophobicContact CG2-CG1 4.27Å; T159-I180 WeakPolarHBondContact O-CA 3.09Å; I161-I180 HydrophobicContact CG1-CG2 4.46Å; I161-I180 HydrophobicContact CG2-CD1 3.58Å; I161-I180 HydrophobicContact CG2-CG1 4.17Å; I161-I180 HydrophobicContact CG2-CG2 4.28Å; V175-I180 HydrophobicContact CB-CD1 3.47Å; V175-I180 VanDerWaalsContact CB-CD1 3.47Å; V175-I180 HydrophobicContact CG1-CD1 3.91Å; V175-I180 HydrophobicContact CG2-CD1 3.46Å; V175-I180 VanDerWaalsContact CG2-CD1 3.46Å; C178-I180 HydrophobicContact CB-CD1 3.96Å; C178-I180 HydrophobicContact CB-CG1 4.12Å; I180-F183 HydrophobicContact CB-CE1 4.32Å; I180-F183 HydrophobicContact CB-CE2 4.41Å; I180-F183 HydrophobicContact CB-CZ 3.83Å; I180-F183 HydrophobicContact CD1-CE1 4.47Å; I180-F183 HydrophobicContact CG2-CD1 4.33Å; I180-F183 HydrophobicContact CG2-CE1 3.78Å; I180-F183 HydrophobicContact CG2-CE2 4.02Å; I180-F183 HydrophobicContact CG2-CZ 3.59Å; I180-T202 WeakPolarHBondContact O-CG2 3.43Å
181	T	96.4	Very high	98	Very high	32 Å²	32	38 Å²	38	20%	0.196	19%	0.19	C	C	.	.			trans	-94.7	-22.5	-176.9	57.6	0	0	0	0	114	T159 G179 T202 N234 M236 T237	T159-T181 PolarHBondContact O-N 3.39Å; G179-T181 PolarHBondContact O-N 3.16Å; T181-T202 HydrophobicContact CG2-CG2 3.89Å; T181-N234 WeakPolarHBondContact CB-O 3.44Å; T181-N234 HydrophobicContact CG2-CB 4.31Å; T181-N234 VanDerWaalsContact CG2-O 3.22Å; T181-N234 WeakPolarHBondContact CG2-O 3.26Å; T181-M236 CarbonylContact O-C 3.54Å; T181-M236 VanDerWaalsContact O-CA 3.3Å; T181-M236 WeakPolarHBondContact O-CA 3.4Å; T181-T237 PolarHBondContact O-N 2.73Å
182	D	98	Very high	98	Very high	34 Å²	34	36 Å²	36	18%	0.182	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-136	120.4	-175.8	-170.1	4.8	0	0	0	113.6	R184	D182-R184 VanDerWaalsContact CG-NE 3.28Å; D182-R184 WeakPolarHBondContact OD1-CB 3.11Å; D182-R184 WeakPolarHBondContact OD1-CG 3.33Å; D182-R184 IonicContact OD1-CZ 2.77Å; D182-R184 PolarHBondContact OD1-N 2.99Å; D182-R184 IonicContact OD1-NE 3.88Å; D182-R184 PolarHBondContact OD1-NE 2.84Å; D182-R184 IonicContact OD1-NH2 3.86Å; D182-R184 IonicContact OD2-CZ 3.19Å; D182-R184 VanDerWaalsContact OD2-CZ 3.25Å; D182-R184 IonicContact OD2-NE 3.36Å; D182-R184 PolarHBondContact OD2-NE 2.73Å; D182-R184 IonicContact OD2-NH2 3.51Å; D182-R184 PolarHBondContact OD2-NH2 2.99Å
183	F	98.6	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.			trans	-101.6	-0.9	175.7	-66.8	-77.6	0	0	0	114	I161 V175 I180 P185 I186 L195 A197 Q200 M236 T237 I316	I161-F183 HydrophobicContact CD1-CD1 3.87Å; I161-F183 HydrophobicContact CD1-CE1 4.4Å; V175-F183 HydrophobicContact CG2-CE1 4.48Å; I180-F183 HydrophobicContact CB-CE1 4.32Å; I180-F183 HydrophobicContact CB-CE2 4.41Å; I180-F183 HydrophobicContact CB-CZ 3.83Å; I180-F183 HydrophobicContact CD1-CE1 4.47Å; I180-F183 HydrophobicContact CG2-CD1 4.33Å; I180-F183 HydrophobicContact CG2-CE1 3.78Å; I180-F183 HydrophobicContact CG2-CE2 4.02Å; I180-F183 HydrophobicContact CG2-CZ 3.59Å; F183-P185 VanDerWaalsContact C-N 3.3Å; F183-I186 WeakPolarHBondContact O-CG1 3.39Å; F183-I186 WeakPolarHBondContact O-CG2 3.46Å; F183-I186 PolarHBondContact O-N 3.02Å; F183-L195 HydrophobicContact CD1-CD2 3.73Å; F183-L195 HydrophobicContact CE1-CD2 4.07Å; F183-A197 HydrophobicContact CE1-CB 3.62Å; F183-A197 HydrophobicContact CZ-CB 3.7Å; F183-Q200 HydrophobicContact CE2-CG 4.1Å; F183-Q200 HydrophobicContact CZ-CG 3.86Å; F183-M236 HydrophobicContact CD2-CG 4.23Å; F183-M236 HydrophobicContact CE2-CG 3.89Å; F183-M236 HydrophobicContact CE2-SD 3.88Å; F183-T237 PolarHBondContact N-O 3.13Å; F183-I316 HydrophobicContact CD1-CG2 4.28Å; F183-I316 HydrophobicContact CD2-CG2 3.98Å; F183-I316 HydrophobicContact CE1-CG2 4.29Å; F183-I316 HydrophobicContact CE2-CG2 3.99Å; F183-I316 HydrophobicContact CG-CG2 4.12Å; F183-I316 HydrophobicContact CZ-CG2 4.15Å
184	R	98.4	Very high	98	Very high	127 Å²	127	39.7 Å²	39.7	48%	0.479	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-57.2	-29.1	172.8	-61.5	172.6	-61.2	-175.8	4.8	114.6	D182 I186 N187 T237 N238	D182-R184 VanDerWaalsContact CG-NE 3.28Å; D182-R184 WeakPolarHBondContact OD1-CB 3.11Å; D182-R184 WeakPolarHBondContact OD1-CG 3.33Å; D182-R184 IonicContact OD1-CZ 2.77Å; D182-R184 PolarHBondContact OD1-N 2.99Å; D182-R184 IonicContact OD1-NE 3.88Å; D182-R184 PolarHBondContact OD1-NE 2.84Å; D182-R184 IonicContact OD1-NH2 3.86Å; D182-R184 IonicContact OD2-CZ 3.19Å; D182-R184 VanDerWaalsContact OD2-CZ 3.25Å; D182-R184 IonicContact OD2-NE 3.36Å; D182-R184 PolarHBondContact OD2-NE 2.73Å; D182-R184 IonicContact OD2-NH2 3.51Å; D182-R184 PolarHBondContact OD2-NH2 2.99Å; R184-I186 PolarHBondContact O-N 2.96Å; R184-I186 VanDerWaalsContact O-N 3.15Å; R184-N187 WeakPolarHBondContact O-CB 3.39Å; R184-N187 PolarHBondContact O-N 3.29Å; R184-N187 VanDerWaalsContact O-N 3.14Å; R184-N187 PolarHBondContact O-ND2 3.1Å; R184-T237 HydrophobicContact CG-CG2 4.15Å; R184-N238 WeakPolarHBondContact CG-O 3.44Å
185	P	98.6	Very high	98	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.071	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-57.2	-25.5	175	-28.8	36.7	0	0	0	114.8	I161 E162 T165 F183 N187 Q188	I161-P185 HydrophobicContact CG1-CB 4.28Å; I161-P185 HydrophobicContact CG1-CG 4.32Å; E162-P185 HydrophobicContact CB-CB 4.39Å; E162-P185 HydrophobicContact CB-CG 3.96Å; E162-P185 HydrophobicContact CG-CG 4.42Å; T165-P185 HydrophobicContact CG2-CB 3.84Å; F183-P185 VanDerWaalsContact C-N 3.3Å; P185-N187 PolarHBondContact O-N 2.79Å; P185-Q188 PolarHBondContact O-N 2.98Å
186	I	98.4	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61	-21.2	178.5	79.4	-175	0	0	0	112.6	I161 F183 R184 Q188 M189 L192 Y239 P308 R310 F311 Y314	I161-I186 HydrophobicContact CD1-CG2 3.61Å; F183-I186 WeakPolarHBondContact O-CG1 3.39Å; F183-I186 WeakPolarHBondContact O-CG2 3.46Å; F183-I186 PolarHBondContact O-N 3.02Å; R184-I186 PolarHBondContact O-N 2.96Å; R184-I186 VanDerWaalsContact O-N 3.15Å; I186-Q188 PolarHBondContact O-N 3.44Å; I186-M189 HydrophobicContact CG2-SD 4.35Å; I186-M189 WeakPolarHBondContact O-CB 3.15Å; I186-M189 PolarHBondContact O-N 2.67Å; I186-L192 HydrophobicContact CB-CD2 4.08Å; I186-L192 HydrophobicContact CG2-CD2 3.82Å; I186-Y239 HydrophobicContact CD1-CG 4.26Å; I186-P308 HydrophobicContact CD1-CG 4Å; I186-R310 PolarHBondContact O-NH2 3.47Å; I186-F311 HydrophobicContact CD1-CE2 4.2Å; I186-F311 HydrophobicContact CD1-CZ 3.92Å; I186-Y314 HydrophobicContact CD1-CE2 3.59Å
187	N	97.9	Very high	98	Very high	84 Å²	84	35.5 Å²	35.5	45%	0.449	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-62.6	-22.1	174.4	-65.7	-49.8	0	0	0	113	R184 P185 Y239	R184-N187 WeakPolarHBondContact O-CB 3.39Å; R184-N187 PolarHBondContact O-N 3.29Å; R184-N187 VanDerWaalsContact O-N 3.14Å; R184-N187 PolarHBondContact O-ND2 3.1Å; P185-N187 PolarHBondContact O-N 2.79Å; N187-Y239 PolarHBondContact ND2-O 3.27Å
188	Q	98.1	Very high	97.9	Very high	118 Å²	118	34 Å²	34	55%	0.551	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-94.7	2.5	175.6	-50.2	-175.8	16.7	0	0	113	T165 P185 I186 P190	T165-Q188 HydrophobicContact CG2-CB 3.9Å; P185-Q188 PolarHBondContact O-N 2.98Å; I186-Q188 PolarHBondContact O-N 3.44Å; Q188-P190 VanDerWaalsContact C-CD 3.49Å; Q188-P190 WeakPolarHBondContact O-CD 3.42Å
189	M	98	Very high	97.8	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.03	18%	0.183	C	C	.	.			trans	-112.1	78	-178.1	-58	171.1	76.3	0	0	109.6	L164 T165 L170 I186 A191 L192 R310	L164-M189 HydrophobicContact CB-CE 3.7Å; L164-M189 HydrophobicContact CB-SD 4.42Å; T165-M189 HydrophobicContact CG2-CG 4.23Å; L170-M189 HydrophobicContact CD2-CE 3.71Å; I186-M189 HydrophobicContact CG2-SD 4.35Å; I186-M189 WeakPolarHBondContact O-CB 3.15Å; I186-M189 PolarHBondContact O-N 2.67Å; M189-A191 VanDerWaalsContact C-N 3.31Å; M189-A191 PolarHBondContact O-N 3.24Å; M189-L192 HydrophobicContact CB-CB 3.91Å; M189-L192 HydrophobicContact CE-CD2 4.1Å; M189-L192 WeakPolarHBondContact O-CB 3.38Å; M189-L192 PolarHBondContact O-N 2.98Å; M189-L192 HydrophobicContact SD-CD2 4.28Å; M189-R310 PolarHBondContact O-NH2 3.23Å
190	P	95.9	Very high	97.9	Very high	91 Å²	91	34.3 Å²	34.3	59%	0.591	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.7	-171.5	28.3	-36.5	0	0	0	113.7	Q188 L192	Q188-P190 VanDerWaalsContact C-CD 3.49Å; Q188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-L192 VanDerWaalsContact C-N 3.33Å
191	A	98	Very high	97.8	Very high	33 Å²	33	35.8 Å²	35.8	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.4	174.8	0	0	0	0	0	113.2	K168 L170 N171 M189 T193	K168-A191 WeakPolarHBondContact O-CB 3.37Å; L170-A191 CarbonylContact O-C 3.35Å; N171-A191 VanDerWaalsContact CA-O 3.29Å; N171-A191 WeakPolarHBondContact CA-O 3.21Å; N171-A191 WeakPolarHBondContact CB-O 3.36Å; M189-A191 VanDerWaalsContact C-N 3.31Å; M189-A191 PolarHBondContact O-N 3.24Å; A191-T193 PolarHBondContact O-N 3.15Å
192	L	98.7	Very high	97.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.			trans	-71.6	119.1	-176	-163.3	73.7	0	0	0	110.3	L170 L173 I186 M189 P190 R310 F311	L170-L192 HydrophobicContact CG-CD1 4.38Å; L170-L192 WeakPolarHBondContact O-CA 3.22Å; L170-L192 PolarHBondContact O-N 2.98Å; L173-L192 HydrophobicContact CB-CD1 3.75Å; L173-L192 HydrophobicContact CB-CD2 4.47Å; I186-L192 HydrophobicContact CB-CD2 4.08Å; I186-L192 HydrophobicContact CG2-CD2 3.82Å; M189-L192 HydrophobicContact CB-CB 3.91Å; M189-L192 HydrophobicContact CE-CD2 4.1Å; M189-L192 WeakPolarHBondContact O-CB 3.38Å; M189-L192 PolarHBondContact O-N 2.98Å; M189-L192 HydrophobicContact SD-CD2 4.28Å; P190-L192 VanDerWaalsContact C-N 3.33Å; L192-R310 PolarHBondContact O-NE 2.98Å; L192-R310 VanDerWaalsContact O-NE 3.1Å; L192-F311 HydrophobicContact CB-CE1 4.49Å; L192-F311 HydrophobicContact CB-CZ 4.13Å; L192-F311 HydrophobicContact CD2-CE1 4.06Å; L192-F311 HydrophobicContact CD2-CZ 3.94Å; L192-F311 HydrophobicContact CG-CE1 3.88Å; L192-F311 HydrophobicContact CG-CZ 3.92Å; L192-F311 WeakPolarHBondContact O-CE2 3.38Å; L192-F311 VanDerWaalsContact O-CZ 3.3Å; L192-F311 WeakPolarHBondContact O-CZ 3.4Å
193	T	98.6	Very high	97.5	Very high	41 Å²	41	32.8 Å²	32.8	25%	0.252	17%	0.172	S	C	.	.			trans	-129.8	-9.8	-179.9	59.1	0	0	0	0	113	N171 A191 R310 F311 T312 F313	N171-T193 PolarHBondContact O-N 3.44Å; A191-T193 PolarHBondContact O-N 3.15Å; T193-R310 WeakPolarHBondContact CG2-O 3.48Å; T193-F311 CarbonylContact O-C 3.57Å; T193-F311 WeakPolarHBondContact O-CA 3.22Å; T193-F311 WeakPolarHBondContact O-CB 3.36Å; T193-F311 WeakPolarHBondContact O-CD1 3.31Å; T193-T312 PolarHBondContact O-N 3.4Å; T193-T312 PolarHBondContact O-OG1 3.35Å; T193-F313 PolarHBondContact O-N 2.9Å
194	Q	98.8	Very high	97.2	Very high	56 Å²	56	36.2 Å²	36.2	26%	0.262	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	115.7	174	-63.8	178	96.7	0	0	110.1	N171 E172 L173 T312 F313	N171-Q194 PolarHBondContact O-N 3.2Å; E172-Q194 HydrophobicContact CB-CB 4.38Å; E172-Q194 HydrophobicContact CG-CB 4.37Å; L173-Q194 PolarHBondContact N-O 2.9Å; Q194-T312 WeakPolarHBondContact CG-OG1 3.41Å; Q194-F313 WeakPolarHBondContact CA-O 3.23Å; Q194-F313 HydrophobicContact CG-CB 4.32Å
195	L	98.6	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.5	170.4	-179.9	68.9	0	0	0	110	L173 V175 F183 A197 F311 F313 Y314 A315 I316	L173-L195 HydrophobicContact CB-CD1 4.04Å; L173-L195 HydrophobicContact CD2-CD1 3.95Å; L173-L195 HydrophobicContact CG-CD1 3.98Å; L173-L195 WeakPolarHBondContact O-CA 3.29Å; V175-L195 HydrophobicContact CG2-CD1 4.13Å; F183-L195 HydrophobicContact CD1-CD2 3.73Å; F183-L195 HydrophobicContact CE1-CD2 4.07Å; L195-A197 HydrophobicContact CD1-CB 4.09Å; L195-A197 HydrophobicContact CD2-CB 4.19Å; L195-A197 HydrophobicContact CG-CB 3.94Å; L195-F311 HydrophobicContact CB-CD1 4.26Å; L195-F311 HydrophobicContact CB-CE1 3.8Å; L195-F313 PolarHBondContact N-O 3.13Å; L195-F313 WeakPolarHBondContact O-CD1 3.45Å; L195-Y314 HydrophobicContact CB-CD2 3.99Å; L195-Y314 HydrophobicContact CB-CE2 4.29Å; L195-Y314 HydrophobicContact CD2-CD2 4.05Å; L195-Y314 HydrophobicContact CD2-CE2 3.52Å; L195-Y314 HydrophobicContact CG-CE2 4.49Å; L195-Y314 WeakPolarHBondContact O-CA 3.26Å; L195-A315 PolarHBondContact O-N 2.98Å; L195-I316 HydrophobicContact CD2-CG2 4.15Å
196	A	98.5	Very high	96.5	Very high	4 Å²	4	35 Å²	35	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.8	165.9	0	0	0	0	0	109	L173 R174 V175 Q176 F313	L173-A196 PolarHBondContact O-N 3.05Å; R174-A196 CarbonylContact C-O 3.58Å; R174-A196 WeakPolarHBondContact CA-O 3.03Å; R174-A196 HydrophobicContact CG-CB 4.17Å; V175-A196 PolarHBondContact N-O 2.88Å; Q176-A196 HydrophobicContact CG-CB 4.06Å; Q176-A196 PolarHBondContact N-O 3.44Å; Q176-A196 PolarHBondContact OE1-O 3.34Å; A196-F313 HydrophobicContact CB-CD1 4.3Å; A196-F313 HydrophobicContact CB-CE1 3.73Å
197	A	98.1	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.			trans	-141.1	26.5	-174.2	0	0	0	0	0	112	V175 F183 L195 Q200 A315 I316	V175-A197 HydrophobicContact CG2-CB 3.57Å; F183-A197 HydrophobicContact CE1-CB 3.62Å; F183-A197 HydrophobicContact CZ-CB 3.7Å; L195-A197 HydrophobicContact CD1-CB 4.09Å; L195-A197 HydrophobicContact CD2-CB 4.19Å; L195-A197 HydrophobicContact CG-CB 3.94Å; A197-Q200 PolarHBondContact O-NE2 3.4Å; A197-A315 CarbonylContact C-O 3.44Å; A197-A315 VanDerWaalsContact CA-O 3.24Å; A197-A315 WeakPolarHBondContact CA-O 3.48Å; A197-A315 WeakPolarHBondContact CB-O 3.16Å; A197-A315 PolarHBondContact N-O 2.79Å; A197-I316 HydrophobicContact CB-CG2 4.03Å
198	F	95.7	Very high	96.3	Very high	73 Å²	73	37.8 Å²	37.8	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	151	176.1	76.1	-107.4	0	0	0	111.5	Q176 F177 A315 S317	Q176-F198 VanDerWaalsContact CA-O 3.3Å; Q176-F198 WeakPolarHBondContact CA-O 3.21Å; Q176-F198 HydrophobicContact CB-CD1 4.36Å; Q176-F198 HydrophobicContact CB-CD2 4.48Å; Q176-F198 HydrophobicContact CB-CE1 4.27Å; Q176-F198 HydrophobicContact CB-CE2 4.39Å; Q176-F198 HydrophobicContact CB-CG 4.44Å; Q176-F198 HydrophobicContact CB-CZ 4.28Å; Q176-F198 WeakPolarHBondContact CB-O 3.5Å; Q176-F198 HydrophobicContact CG-CD1 3.65Å; Q176-F198 HydrophobicContact CG-CE1 3.68Å; Q176-F198 HydrophobicContact CG-CG 4.12Å; Q176-F198 HydrophobicContact CG-CZ 4.18Å; F177-F198 HydrophobicContact CE1-CD2 4.47Å; F177-F198 HydrophobicContact CE1-CE2 4.03Å; F177-F198 AromaticContact CE2-CE2 3.89Å; F177-F198 HydrophobicContact CE2-CE2 3.89Å; F177-F198 HydrophobicContact CE2-CZ 4.31Å; F177-F198 HydrophobicContact CZ-CD2 4.38Å; F177-F198 AromaticContact CZ-CE2 3.52Å; F177-F198 HydrophobicContact CZ-CE2 3.52Å; F177-F198 HydrophobicContact CZ-CZ 4.3Å; F177-F198 PolarHBondContact N-O 2.85Å; F198-A315 PolarHBondContact N-O 2.89Å; F198-S317 CarbonylContact C-O 3.15Å; F198-S317 VanDerWaalsContact CA-O 3.24Å; F198-S317 WeakPolarHBondContact CA-O 3.45Å; F198-S317 WeakPolarHBondContact CB-O 3.37Å
199	G	96.4	Very high	96.3	Very high	11 Å²	11	34.3 Å²	34.3	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	32.2	173.9	0	0	0	0	0	115.6	F177 S317	F177-G199 WeakPolarHBondContact CA-O 3.26Å; G199-S317 PolarHBondContact N-O 2.95Å
200	Q	97.8	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.			trans	-60.1	145.9	172.2	-60.5	-48.7	-60.7	0	0	111.7	V175 C178 F183 A197 T202 M236 G319 T320	V175-Q200 PolarHBondContact O-NE2 2.81Å; C178-Q200 CarbonylContact O-C 3.57Å; C178-Q200 VanDerWaalsContact O-CA 3.3Å; C178-Q200 WeakPolarHBondContact O-CA 3.25Å; C178-Q200 PolarHBondContact O-OE1 3.47Å; F183-Q200 HydrophobicContact CE2-CG 4.1Å; F183-Q200 HydrophobicContact CZ-CG 3.86Å; A197-Q200 PolarHBondContact O-NE2 3.4Å; Q200-T202 HydrophobicContact CB-CG2 4.32Å; Q200-M236 HydrophobicContact CB-SD 3.77Å; Q200-M236 HydrophobicContact CG-SD 3.71Å; Q200-G319 CarbonylContact O-C 3.55Å; Q200-G319 WeakPolarHBondContact O-CA 3.27Å; Q200-T320 PolarHBondContact O-N 2.84Å
201	N	95.4	Very high	96.1	Very high	31 Å²	31	35.6 Å²	35.6	17%	0.166	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	82.2	179.2	-158	-17.8	0	0	0	109.4	C178 G179 R204 T320	C178-N201 PolarHBondContact O-N 3.04Å; G179-N201 WeakPolarHBondContact CA-O 3.45Å; N201-R204 VanDerWaalsContact CG-NE 3.35Å; N201-R204 PolarHBondContact ND2-NE 3.1Å; N201-R204 VanDerWaalsContact ND2-NE 3.1Å; N201-R204 PolarHBondContact OD1-NE 3.28Å; N201-T320 PolarHBondContact OD1-OG1 2.98Å; N201-T320 VanDerWaalsContact OD1-OG1 3.08Å
202	T	95.7	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	155.2	-171.4	54	0	0	0	0	113.2	I180 T181 Q200 R204 M236 T320 Y321 L322	I180-T202 WeakPolarHBondContact O-CG2 3.43Å; T181-T202 HydrophobicContact CG2-CG2 3.89Å; Q200-T202 HydrophobicContact CB-CG2 4.32Å; T202-R204 PolarHBondContact O-N 2.87Å; T202-M236 HydrophobicContact CG2-CB 3.9Å; T202-M236 HydrophobicContact CG2-CG 4.36Å; T202-T320 PolarHBondContact N-O 3.24Å; T202-T320 PolarHBondContact OG1-O 3.17Å; T202-T320 VanDerWaalsContact OG1-O 3.06Å; T202-Y321 CarbonylContact O-C 3.48Å; T202-Y321 WeakPolarHBondContact O-CA 3.46Å; T202-L322 PolarHBondContact O-N 2.82Å
203	G	92.5	Very high	95.5	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	20%	0.195	C	C	.	.	S	Bend	trans	74.5	-29.1	-178.2	0	0	0	0	0	115.3	N205 D206 L322	G203-N205 PolarHBondContact O-N 3.19Å; G203-D206 VanDerWaalsContact O-CB 3.26Å; G203-D206 WeakPolarHBondContact O-CB 3.34Å; G203-D206 PolarHBondContact O-N 2.83Å; G203-L322 CarbonylContact C-O 3.55Å; G203-L322 WeakPolarHBondContact CA-O 3.43Å
204	R	92.9	Very high	94.9	Very high	71 Å²	71	39.5 Å²	39.5	27%	0.268	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.1	-167.6	176.1	173.3	-72	-102.4	3.5	115.9	M156 N201 T202 L322	M156-R204 WeakPolarHBondContact SD-CD 3.37Å; N201-R204 VanDerWaalsContact CG-NE 3.35Å; N201-R204 PolarHBondContact ND2-NE 3.1Å; N201-R204 VanDerWaalsContact ND2-NE 3.1Å; N201-R204 PolarHBondContact OD1-NE 3.28Å; T202-R204 PolarHBondContact O-N 2.87Å; R204-L322 WeakPolarHBondContact CA-O 3.26Å; R204-L322 HydrophobicContact CB-CB 4.29Å; R204-L322 PolarHBondContact N-O 3.27Å
205	N	89.8	Confident	94.6	Very high	76 Å²	76	39.7 Å²	39.7	41%	0.406	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.7	-177.5	-72.5	-7.1	0	0	0	112.7	M156 N157 G203	M156-N205 PolarHBondContact O-ND2 2.76Å; N157-N205 PolarHBondContact OD1-ND2 2.79Å; G203-N205 PolarHBondContact O-N 3.19Å
206	D	93.5	Very high	94.4	Very high	37 Å²	37	39.7 Å²	39.7	20%	0.198	21%	0.214	C	C	.	.	S	Bend	trans	-82.7	151.2	179.4	-60	-12.4	0	0	0	109.7	G203 N234	G203-D206 VanDerWaalsContact O-CB 3.26Å; G203-D206 WeakPolarHBondContact O-CB 3.34Å; G203-D206 PolarHBondContact O-N 2.83Å; D206-N234 VanDerWaalsContact OD2-CB 3.26Å; D206-N234 WeakPolarHBondContact OD2-CB 3.42Å; D206-N234 PolarHBondContact OD2-ND2 2.87Å
207	P	95	Very high	94.2	Very high	110 Å²	110	43.7 Å²	43.7	71%	0.714	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-64.2	148.3	171.6	28.8	-35.1	0	0	0	110.5	H323	P207-H323 PolarHBondContact O-CE1 3.43Å; P207-H323 VanDerWaalsContact O-CE1 3.25Å
208	A	96.7	Very high	94.1	Very high	33 Å²	33	45.8 Å²	45.8	27%	0.273	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-56.6	141.3	174.3	0	0	0	0	0	110.9	Q324	A208-Q324 CarbonylContact C-O 3.51Å; A208-Q324 WeakPolarHBondContact CA-O 3.5Å; A208-Q324 HydrophobicContact CB-CB 3.82Å
209	T	97.3	Very high	94.2	Very high	45 Å²	45	44.7 Å²	44.7	28%	0.276	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.8	-179.1	-61.1	0	0	0	0	110.8	I211 H323 Q324 F325 N326	T209-I211 HydrophobicContact CG2-CG2 4.12Å; T209-I211 PolarHBondContact O-N 3.19Å; T209-H323 PolarHBondContact OG1-NE2 3.29Å; T209-Q324 PolarHBondContact N-O 3.2Å; T209-F325 HydrophobicContact CG2-CD1 4.34Å; T209-F325 HydrophobicContact CG2-CE1 4.35Å; T209-F325 VanDerWaalsContact O-CA 3.28Å; T209-F325 WeakPolarHBondContact O-CA 3.36Å; T209-N326 PolarHBondContact O-N 3.33Å
210	D	95.2	Very high	94.1	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.1	169.2	-57	-60.9	0	0	0	110.1	N326	D210-N326 VanDerWaalsContact OD1-CB 3.29Å; D210-N326 WeakPolarHBondContact OD1-CB 3.47Å; D210-N326 PolarHBondContact OD1-ND2 2.69Å
211	I	94.3	Very high	94.1	Very high	20 Å²	20	54.4 Å²	54.4	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	167.6	172	66	164.4	0	0	0	110.1	T209 L216 I231 F292 F325 N326 V327 Q328	T209-I211 HydrophobicContact CG2-CG2 4.12Å; T209-I211 PolarHBondContact O-N 3.19Å; I211-L216 HydrophobicContact CD1-CD1 4.27Å; I211-L216 HydrophobicContact CD1-CD2 3.65Å; I211-L216 HydrophobicContact CD1-CG 3.91Å; I211-I231 HydrophobicContact CD1-CD1 4.01Å; I211-F292 HydrophobicContact CD1-CE1 3.76Å; I211-F292 HydrophobicContact CD1-CZ 4.1Å; I211-F325 HydrophobicContact CD1-CD1 4.46Å; I211-F325 HydrophobicContact CG2-CD1 3.85Å; I211-F325 HydrophobicContact CG2-CE1 4.27Å; I211-N326 PolarHBondContact N-O 2.98Å; I211-V327 HydrophobicContact CD1-CG2 4.4Å; I211-V327 HydrophobicContact CG1-CG2 4.27Å; I211-Q328 PolarHBondContact O-N 2.89Å
212	N	91.3	Very high	94.2	Very high	20 Å²	20	59.7 Å²	59.7	11%	0.107	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.4	171	-170.7	-90	0	0	0	111.1	K214 D215 Q328 T330	N212-K214 HydrophobicContact CB-CD 4.21Å; N212-K214 HydrophobicContact CB-CG 4.11Å; N212-K214 PolarHBondContact O-N 2.89Å; N212-K214 VanDerWaalsContact O-N 3.13Å; N212-K214 VanDerWaalsContact OD1-CB 3.29Å; N212-K214 WeakPolarHBondContact OD1-CB 3.49Å; N212-K214 VanDerWaalsContact OD1-CD 3.29Å; N212-K214 WeakPolarHBondContact OD1-CD 3.38Å; N212-K214 WeakPolarHBondContact OD1-CG 3.44Å; N212-K214 PolarHBondContact OD1-N 2.84Å; N212-D215 WeakPolarHBondContact CB-OD2 3.44Å; N212-D215 PolarHBondContact N-OD2 2.83Å; N212-D215 WeakPolarHBondContact O-CB 3.3Å; N212-D215 PolarHBondContact O-N 2.89Å; N212-Q328 CarbonylContact C-O 3.58Å; N212-Q328 WeakPolarHBondContact CA-O 3.49Å; N212-Q328 PolarHBondContact ND2-O 3.37Å; N212-Q328 VanDerWaalsContact ND2-O 3.13Å; N212-T330 PolarHBondContact ND2-O 3.02Å
213	A	92.4	Very high	94.3	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.033	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-55.8	-30.8	177.8	0	0	0	0	0	113.5	D215 L216 F286 V327 Q328 H329	A213-D215 PolarHBondContact O-N 2.8Å; A213-L216 WeakPolarHBondContact O-CB 3.17Å; A213-L216 PolarHBondContact O-N 3.35Å; A213-F286 HydrophobicContact CB-CE1 4.47Å; A213-F286 HydrophobicContact CB-CE2 4.02Å; A213-F286 HydrophobicContact CB-CZ 3.69Å; A213-F286 WeakPolarHBondContact O-CZ 3.18Å; A213-V327 HydrophobicContact CB-CG1 3.82Å; A213-Q328 PolarHBondContact N-O 2.8Å; A213-H329 WeakPolarHBondContact CB-CE1 3.42Å; A213-H329 VanDerWaalsContact CB-ND1 3.27Å; A213-H329 WeakPolarHBondContact CB-ND1 3.29Å
214	K	87.8	Confident	94.6	Very high	133 Å²	133	65 Å²	65	58%	0.578	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-58.9	-28.8	174.8	81.2	-163.8	176.1	-169.1	0	113.1	N212 L216 N217	N212-K214 HydrophobicContact CB-CD 4.21Å; N212-K214 HydrophobicContact CB-CG 4.11Å; N212-K214 PolarHBondContact O-N 2.89Å; N212-K214 VanDerWaalsContact O-N 3.13Å; N212-K214 VanDerWaalsContact OD1-CB 3.29Å; N212-K214 WeakPolarHBondContact OD1-CB 3.49Å; N212-K214 VanDerWaalsContact OD1-CD 3.29Å; N212-K214 WeakPolarHBondContact OD1-CD 3.38Å; N212-K214 WeakPolarHBondContact OD1-CG 3.44Å; N212-K214 PolarHBondContact OD1-N 2.84Å; K214-L216 PolarHBondContact O-N 3.07Å; K214-N217 PolarHBondContact O-N 3.22Å
215	D	91.1	Very high	94.9	Very high	59 Å²	59	61.7 Å²	61.7	32%	0.316	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-76	-9.5	-174.3	-51.2	-40.1	0	0	0	111.5	N212 A213 N217	N212-D215 WeakPolarHBondContact CB-OD2 3.44Å; N212-D215 PolarHBondContact N-OD2 2.83Å; N212-D215 WeakPolarHBondContact O-CB 3.3Å; N212-D215 PolarHBondContact O-N 2.89Å; A213-D215 PolarHBondContact O-N 2.8Å; D215-N217 PolarHBondContact O-ND2 3.15Å; D215-N217 VanDerWaalsContact O-ND2 3.1Å
216	L	95.3	Very high	95.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-93.5	5.2	175.5	-59.4	179.1	0	0	0	113.9	I211 A213 K214 Y218 I225 D226 I227 I231 F286 L289 F292 V327	I211-L216 HydrophobicContact CD1-CD1 4.27Å; I211-L216 HydrophobicContact CD1-CD2 3.65Å; I211-L216 HydrophobicContact CD1-CG 3.91Å; A213-L216 WeakPolarHBondContact O-CB 3.17Å; A213-L216 PolarHBondContact O-N 3.35Å; K214-L216 PolarHBondContact O-N 3.07Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 3.1Å; L216-Y218 VanDerWaalsContact O-N 3.11Å; L216-I225 HydrophobicContact CB-CG2 4.09Å; L216-D226 CarbonylContact C-O 3.53Å; L216-D226 PolarHBondContact O-N 3.1Å; L216-D226 VanDerWaalsContact O-O 3.13Å; L216-I227 HydrophobicContact CD2-CG1 4.22Å; L216-I227 HydrophobicContact CD2-CG2 4.09Å; L216-I231 HydrophobicContact CD2-CD1 4.18Å; L216-F286 HydrophobicContact CB-CE2 4.44Å; L216-L289 HydrophobicContact CD1-CD2 3.74Å; L216-F292 HydrophobicContact CD1-CE1 4.18Å; L216-F292 HydrophobicContact CD2-CE1 3.91Å; L216-F292 HydrophobicContact CD2-CZ 4.03Å; L216-V327 HydrophobicContact CD1-CG1 4.03Å; L216-V327 HydrophobicContact CD1-CG2 4.07Å
217	N	93.6	Very high	95.5	Very high	88 Å²	88	59 Å²	59	47%	0.471	32%	0.316	S	S	.	.			trans	54.1	35.4	167.3	-49.5	-77	0	0	0	115.1	K214 D215 D226	K214-N217 PolarHBondContact O-N 3.22Å; D215-N217 PolarHBondContact O-ND2 3.15Å; D215-N217 VanDerWaalsContact O-ND2 3.1Å; N217-D226 HydrophobicContact CB-CB 4.11Å; N217-D226 PolarHBondContact ND2-O 3.39Å
218	Y	96.7	Very high	95.6	Very high	44 Å²	44	55.5 Å²	55.5	17%	0.173	29%	0.293	C	S	.	.			trans	-57.5	137.6	-174.6	174.3	-106.4	0	0	0	113.5	L216 A220 T224 I225 V281 Q283 F286	L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 3.1Å; L216-Y218 VanDerWaalsContact O-N 3.11Å; Y218-A220 HydrophobicContact CE1-CB 3.85Å; Y218-T224 CarbonylContact C-O 3.47Å; Y218-T224 WeakPolarHBondContact CA-O 3.21Å; Y218-T224 VanDerWaalsContact CD2-O 3.24Å; Y218-T224 WeakPolarHBondContact CD2-O 3.11Å; Y218-I225 HydrophobicContact CD2-CG1 3.88Å; Y218-V281 HydrophobicContact CD2-CG1 4.4Å; Y218-V281 HydrophobicContact CE2-CB 4.23Å; Y218-V281 HydrophobicContact CE2-CG1 4.07Å; Y218-Q283 WeakPolarHBondContact OH-CA 3.21Å; Y218-Q283 PolarHBondContact OH-N 3.37Å; Y218-Q283 VanDerWaalsContact OH-N 3.1Å; Y218-F286 HydrophobicContact CD1-CB 4.48Å; Y218-F286 AromaticContact CD1-CD1 3.56Å; Y218-F286 HydrophobicContact CD1-CD1 3.56Å; Y218-F286 AromaticContact CD1-CE1 3.85Å; Y218-F286 HydrophobicContact CD1-CE1 3.85Å; Y218-F286 HydrophobicContact CD1-CG 4.01Å; Y218-F286 HydrophobicContact CD2-CB 4Å; Y218-F286 HydrophobicContact CD2-CD1 4.33Å; Y218-F286 HydrophobicContact CD2-CD2 4.22Å; Y218-F286 AromaticContact CD2-CG 3.93Å; Y218-F286 HydrophobicContact CD2-CG 3.93Å; Y218-F286 HydrophobicContact CE1-CD1 4.12Å; Y218-F286 HydrophobicContact CE2-CB 4.06Å; Y218-F286 HydrophobicContact CE2-CG 4.43Å; Y218-F286 HydrophobicContact CG-CB 4.22Å; Y218-F286 AromaticContact CG-CD1 3.68Å; Y218-F286 HydrophobicContact CG-CD1 3.68Å; Y218-F286 HydrophobicContact CG-CD2 4.01Å; Y218-F286 AromaticContact CG-CE1 3.94Å; Y218-F286 HydrophobicContact CG-CE1 3.94Å; Y218-F286 HydrophobicContact CG-CE2 4.25Å; Y218-F286 AromaticContact CG-CG 3.69Å; Y218-F286 HydrophobicContact CG-CG 3.69Å; Y218-F286 HydrophobicContact CG-CZ 4.19Å
219	N	97.3	Very high	95.6	Very high	50 Å²	50	54.2 Å²	54.2	27%	0.267	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-124.9	104.4	-178.5	-170.1	-66.2	0	0	0	110.8	D221 K222 Q223 T224	N219-D221 PolarHBondContact OD1-N 2.77Å; N219-K222 HydrophobicContact CB-CB 4.38Å; N219-K222 PolarHBondContact O-N 2.91Å; N219-K222 WeakPolarHBondContact OD1-CB 3.42Å; N219-K222 WeakPolarHBondContact OD1-CG 3.15Å; N219-K222 PolarHBondContact OD1-N 2.59Å; N219-Q223 WeakPolarHBondContact O-CA 3.26Å; N219-Q223 PolarHBondContact O-N 3.1Å; N219-T224 PolarHBondContact N-O 3.43Å; N219-T224 PolarHBondContact O-N 3.05Å; N219-T224 VanDerWaalsContact O-N 3.16Å
220	A	95.5	Very high	95.5	Very high	51 Å²	51	57 Å²	57	42%	0.421	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-39.2	-177.3	0	0	0	0	0	113.9	Y218 K222 Q223	Y218-A220 HydrophobicContact CE1-CB 3.85Å; A220-K222 VanDerWaalsContact C-N 3.3Å; A220-K222 PolarHBondContact O-N 3.41Å; A220-Q223 PolarHBondContact O-N 2.84Å
221	D	97	Very high	95.5	Very high	164 Å²	164	54 Å²	54	88%	0.877	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.3	-178.8	-67.6	-31.6	0	0	0	112.6	N219	N219-D221 PolarHBondContact OD1-N 2.77Å
222	K	97.7	Very high	95.6	Very high	143 Å²	143	53.6 Å²	53.6	62%	0.622	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-15.3	178.3	-65.1	177.1	-175.4	173.8	0	113.8	N219 A220 T224	N219-K222 HydrophobicContact CB-CB 4.38Å; N219-K222 PolarHBondContact O-N 2.91Å; N219-K222 WeakPolarHBondContact OD1-CB 3.42Å; N219-K222 WeakPolarHBondContact OD1-CG 3.15Å; N219-K222 PolarHBondContact OD1-N 2.59Å; A220-K222 VanDerWaalsContact C-N 3.3Å; A220-K222 PolarHBondContact O-N 3.41Å; K222-T224 HydrophobicContact CB-CG2 3.99Å
223	Q	98.1	Very high	95.8	Very high	102 Å²	102	54.3 Å²	54.3	48%	0.477	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	54.6	-168.4	-66	-176	-27	0	0	111.5	N219 A220 S279 G280 V281	N219-Q223 WeakPolarHBondContact O-CA 3.26Å; N219-Q223 PolarHBondContact O-N 3.1Å; A220-Q223 PolarHBondContact O-N 2.84Å; Q223-S279 CarbonylContact O-C 3.55Å; Q223-G280 CarbonylContact O-C 3.56Å; Q223-G280 PolarHBondContact O-N 2.89Å; Q223-V281 CarbonylContact C-O 3.52Å; Q223-V281 WeakPolarHBondContact CA-O 3.44Å; Q223-V281 WeakPolarHBondContact CB-O 3.47Å; Q223-V281 PolarHBondContact O-N 2.75Å
224	T	98.4	Very high	95.9	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.08	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.1	-179.7	58.2	0	0	0	0	113.6	Y218 N219 K222 T277 V278	Y218-T224 CarbonylContact C-O 3.47Å; Y218-T224 WeakPolarHBondContact CA-O 3.21Å; Y218-T224 VanDerWaalsContact CD2-O 3.24Å; Y218-T224 WeakPolarHBondContact CD2-O 3.11Å; N219-T224 PolarHBondContact N-O 3.43Å; N219-T224 PolarHBondContact O-N 3.05Å; N219-T224 VanDerWaalsContact O-N 3.16Å; K222-T224 HydrophobicContact CB-CG2 3.99Å; T224-T277 HydrophobicContact CG2-CG2 4.03Å; T224-V278 CarbonylContact C-O 3.59Å; T224-V278 WeakPolarHBondContact CA-O 3.15Å
225	I	98.1	Very high	96.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.2	161.6	-77.5	174.9	0	0	0	107.6	L216 Y218 I227 F259 T277 V278 V281 F286 L289	L216-I225 HydrophobicContact CB-CG2 4.09Å; Y218-I225 HydrophobicContact CD2-CG1 3.88Å; I225-I227 HydrophobicContact CG2-CD1 4.2Å; I225-I227 HydrophobicContact CG2-CG1 3.53Å; I225-F259 HydrophobicContact CD1-CE2 3.95Å; I225-F259 HydrophobicContact CD1-CZ 3.68Å; I225-T277 CarbonylContact O-C 3.59Å; I225-T277 WeakPolarHBondContact O-CA 3.22Å; I225-V278 HydrophobicContact CB-CB 4.3Å; I225-V278 PolarHBondContact N-O 2.86Å; I225-V278 PolarHBondContact O-N 3.25Å; I225-V281 HydrophobicContact CB-CG2 4.37Å; I225-V281 HydrophobicContact CD1-CG1 3.8Å; I225-V281 HydrophobicContact CD1-CG2 4.23Å; I225-V281 HydrophobicContact CG1-CB 4.39Å; I225-V281 HydrophobicContact CG1-CG1 4.07Å; I225-V281 HydrophobicContact CG1-CG2 4.17Å; I225-F286 HydrophobicContact CD1-CD2 3.8Å; I225-F286 HydrophobicContact CG1-CD2 4.14Å; I225-L289 HydrophobicContact CD1-CD2 4Å
226	D	97.8	Very high	96.5	Very high	55 Å²	55	51.6 Å²	51.6	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	103.8	173.2	-71.5	-51.6	0	0	0	109.3	L216 N217 P228 T277	L216-D226 CarbonylContact C-O 3.53Å; L216-D226 PolarHBondContact O-N 3.1Å; L216-D226 VanDerWaalsContact O-O 3.13Å; N217-D226 HydrophobicContact CB-CB 4.11Å; N217-D226 PolarHBondContact ND2-O 3.39Å; D226-P228 VanDerWaalsContact O-CD 3.31Å; D226-P228 WeakPolarHBondContact O-CD 3.49Å; D226-T277 WeakPolarHBondContact OD1-CA 3.46Å; D226-T277 WeakPolarHBondContact OD1-CB 3.47Å; D226-T277 VanDerWaalsContact OD1-CG2 3.26Å; D226-T277 WeakPolarHBondContact OD1-CG2 3.49Å; D226-T277 PolarHBondContact OD1-OG1 3.44Å
227	I	98.2	Very high	96.6	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107	-178	-43.4	-174.6	0	0	0	109.5	L216 I225 I231 M232 L257 F259 G275 I276 V278 F292	L216-I227 HydrophobicContact CD2-CG1 4.22Å; L216-I227 HydrophobicContact CD2-CG2 4.09Å; I225-I227 HydrophobicContact CG2-CD1 4.2Å; I225-I227 HydrophobicContact CG2-CG1 3.53Å; I227-I231 HydrophobicContact CG2-CD1 3.93Å; I227-M232 HydrophobicContact CG2-CE 4.07Å; I227-L257 HydrophobicContact CD1-CD1 4.4Å; I227-L257 HydrophobicContact CD1-CD2 3.97Å; I227-F259 HydrophobicContact CD1-CE1 4.41Å; I227-G275 CarbonylContact O-C 3.59Å; I227-G275 WeakPolarHBondContact O-CA 3.41Å; I227-I276 HydrophobicContact CB-CB 4.49Å; I227-I276 PolarHBondContact N-O 3.45Å; I227-I276 PolarHBondContact O-N 2.97Å; I227-V278 HydrophobicContact CD1-CG2 4.28Å; I227-F292 HydrophobicContact CD1-CE2 4.28Å; I227-F292 HydrophobicContact CG2-CE2 4.23Å; I227-F292 HydrophobicContact CG2-CZ 4.18Å
228	P	97.5	Very high	96.8	Very high	36 Å²	36	48.4 Å²	48.4	23%	0.234	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.6	-176.4	33.3	-33.7	0	0	0	111.6	D226 S230 I231	D226-P228 VanDerWaalsContact O-CD 3.31Å; D226-P228 WeakPolarHBondContact O-CD 3.49Å; P228-S230 PolarHBondContact O-N 2.88Å; P228-I231 HydrophobicContact CG-CG2 4.22Å; P228-I231 WeakPolarHBondContact O-CG1 3.3Å; P228-I231 PolarHBondContact O-N 2.94Å
229	F	97.1	Very high	96.8	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	3.8	-179.9	-68.3	-36	0	0	0	115	M232 R235 F246 I271 T272 E274 I276 Y294	F229-M232 HydrophobicContact CD1-CE 4.4Å; F229-M232 HydrophobicContact CD1-CG 4.26Å; F229-R235 PolarHBondContact O-NH1 3.05Å; F229-F246 HydrophobicContact CB-CD2 4.2Å; F229-F246 HydrophobicContact CB-CE2 4.06Å; F229-F246 AromaticContact CD1-CD2 3.48Å; F229-F246 HydrophobicContact CD1-CD2 3.48Å; F229-F246 VanDerWaalsContact CD1-CD2 3.48Å; F229-F246 AromaticContact CD1-CE2 3.64Å; F229-F246 HydrophobicContact CD1-CE2 3.64Å; F229-F246 AromaticContact CD2-CD2 3.67Å; F229-F246 HydrophobicContact CD2-CD2 3.67Å; F229-F246 HydrophobicContact CD2-CE2 4.38Å; F229-F246 AromaticContact CE1-CD2 3.55Å; F229-F246 HydrophobicContact CE1-CD2 3.55Å; F229-F246 HydrophobicContact CE1-CE2 4.07Å; F229-F246 HydrophobicContact CE1-CG 4.28Å; F229-F246 HydrophobicContact CE2-CB 4.04Å; F229-F246 AromaticContact CE2-CD2 3.72Å; F229-F246 HydrophobicContact CE2-CD2 3.72Å; F229-F246 HydrophobicContact CE2-CG 4.35Å; F229-F246 AromaticContact CG-CD2 3.54Å; F229-F246 HydrophobicContact CG-CD2 3.54Å; F229-F246 AromaticContact CG-CE2 3.81Å; F229-F246 HydrophobicContact CG-CE2 3.81Å; F229-F246 HydrophobicContact CZ-CB 3.93Å; F229-F246 AromaticContact CZ-CD2 3.67Å; F229-F246 HydrophobicContact CZ-CD2 3.67Å; F229-F246 HydrophobicContact CZ-CG 4.16Å; F229-I271 HydrophobicContact CE2-CG2 4.18Å; F229-I271 HydrophobicContact CZ-CG2 3.84Å; F229-T272 VanDerWaalsContact CE2-O 3.25Å; F229-T272 WeakPolarHBondContact CE2-O 3.48Å; F229-E274 PolarHBondContact N-O 3.11Å; F229-I276 HydrophobicContact CE1-CD1 3.96Å; F229-I276 HydrophobicContact CE1-CG1 3.71Å; F229-I276 HydrophobicContact CZ-CD1 4.4Å; F229-I276 HydrophobicContact CZ-CG1 3.85Å; F229-Y294 HydrophobicContact CD1-CE1 4.42Å; F229-Y294 AromaticContact CE1-CE1 3.8Å; F229-Y294 HydrophobicContact CE1-CE1 3.8Å; F229-Y294 AromaticContact CE1-CZ 3.73Å; F229-Y294 WeakPolarHBondContact CE1-OH 3.44Å; F229-Y294 WeakPolarHBondContact CZ-OH 3.39Å
230	S	95.4	Very high	96.9	Very high	104 Å²	104	49.2 Å²	49.2	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.2	170.4	51.9	0	0	0	0	113.7	P228 M232	P228-S230 PolarHBondContact O-N 2.88Å; S230-M232 VanDerWaalsContact C-N 3.29Å
231	I	95.7	Very high	97	Very high	40 Å²	40	48.6 Å²	48.6	21%	0.205	26%	0.264	C	S	.	.	S	Bend	trans	-83.8	-3.4	176.8	74	-178.1	0	0	0	113.4	I211 L216 I227 P228 P233 F292 F325	I211-I231 HydrophobicContact CD1-CD1 4.01Å; L216-I231 HydrophobicContact CD2-CD1 4.18Å; I227-I231 HydrophobicContact CG2-CD1 3.93Å; P228-I231 HydrophobicContact CG-CG2 4.22Å; P228-I231 WeakPolarHBondContact O-CG1 3.3Å; P228-I231 PolarHBondContact O-N 2.94Å; I231-P233 WeakPolarHBondContact O-CD 3.36Å; I231-F292 HydrophobicContact CD1-CZ 4.33Å; I231-F325 HydrophobicContact CD1-CE1 4.38Å; I231-F325 HydrophobicContact CG1-CE1 4.16Å; I231-F325 HydrophobicContact CG1-CZ 4.23Å; I231-F325 WeakPolarHBondContact O-CE1 3.3Å
232	M	95.8	Very high	97	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.054	24%	0.237	C	C	.	.			trans	-81.7	103.8	-175.8	-64.3	-67.1	169.1	0	0	110.3	I227 F229 S230 R235 F246 Y294 Y321 F325	I227-M232 HydrophobicContact CG2-CE 4.07Å; F229-M232 HydrophobicContact CD1-CE 4.4Å; F229-M232 HydrophobicContact CD1-CG 4.26Å; S230-M232 VanDerWaalsContact C-N 3.29Å; M232-R235 HydrophobicContact CB-CG 4.2Å; M232-F246 HydrophobicContact CB-CE2 4.29Å; M232-F246 HydrophobicContact CB-CZ 4.22Å; M232-F246 HydrophobicContact CG-CE2 4.06Å; M232-F246 HydrophobicContact CG-CZ 4.26Å; M232-Y294 HydrophobicContact CE-CD1 3.57Å; M232-Y294 HydrophobicContact CE-CE1 4.24Å; M232-Y294 HydrophobicContact CE-CG 4.04Å; M232-Y294 HydrophobicContact SD-CD1 3.7Å; M232-Y294 HydrophobicContact SD-CE1 4.42Å; M232-Y321 WeakPolarHBondContact CA-OH 3.29Å; M232-Y321 WeakPolarHBondContact CB-OH 3.22Å; M232-Y321 HydrophobicContact SD-CE1 3.73Å; M232-Y321 PolarHBondContact SD-OH 3.14Å; M232-F325 HydrophobicContact CE-CE2 4.04Å; M232-F325 HydrophobicContact CE-CZ 4.25Å; M232-F325 HydrophobicContact SD-CE2 3.61Å; M232-F325 HydrophobicContact SD-CZ 3.58Å; M232-F325 VanDerWaalsContact SD-CZ 3.58Å
233	P	95.6	Very high	96.9	Very high	34 Å²	34	40.2 Å²	40.2	22%	0.221	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	169.4	-177.4	32.2	-38.9	0	0	0	112.1	I231 R235 Y321 H323	I231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-R235 PolarHBondContact O-N 3.02Å; P233-Y321 WeakPolarHBondContact CD-OH 3.44Å; P233-Y321 WeakPolarHBondContact O-CE2 3.42Å; P233-H323 WeakPolarHBondContact CG-NE2 3.37Å
234	N	93.6	Very high	96.9	Very high	90 Å²	90	35.4 Å²	35.4	48%	0.481	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	24	161.3	-59.1	-16.4	0	0	0	117.1	T181 D206	T181-N234 WeakPolarHBondContact CB-O 3.44Å; T181-N234 HydrophobicContact CG2-CB 4.31Å; T181-N234 VanDerWaalsContact CG2-O 3.22Å; T181-N234 WeakPolarHBondContact CG2-O 3.26Å; D206-N234 VanDerWaalsContact OD2-CB 3.26Å; D206-N234 WeakPolarHBondContact OD2-CB 3.42Å; D206-N234 PolarHBondContact OD2-ND2 2.87Å
235	R	94.7	Very high	96.8	Very high	48 Å²	48	36.3 Å²	36.3	18%	0.181	21%	0.207	C	C	.	.			trans	-59.5	141.3	176.9	-69.2	173.7	62.2	176.7	-1.2	111	F229 M232 P233 T237 V243 P244 F246 Y321	F229-R235 PolarHBondContact O-NH1 3.05Å; M232-R235 HydrophobicContact CB-CG 4.2Å; P233-R235 PolarHBondContact O-N 3.02Å; R235-T237 PolarHBondContact O-N 3.38Å; R235-T237 PolarHBondContact O-OG1 2.93Å; R235-T237 VanDerWaalsContact O-OG1 3.07Å; R235-V243 HydrophobicContact CB-CG1 3.73Å; R235-P244 PolarHBondContact NH2-O 3.32Å; R235-F246 HydrophobicContact CG-CZ 3.94Å; R235-Y321 HydrophobicContact CG-CD2 4.29Å; R235-Y321 HydrophobicContact CG-CE2 3.96Å
236	M	96.5	Very high	96.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.207	C	C	.	.			trans	-51.9	124.7	179.9	-165.3	172.6	68.4	0	0	111.7	T181 F183 Q200 T202 P244 L298 N300 I316	T181-M236 CarbonylContact O-C 3.54Å; T181-M236 VanDerWaalsContact O-CA 3.3Å; T181-M236 WeakPolarHBondContact O-CA 3.4Å; F183-M236 HydrophobicContact CD2-CG 4.23Å; F183-M236 HydrophobicContact CE2-CG 3.89Å; F183-M236 HydrophobicContact CE2-SD 3.88Å; Q200-M236 HydrophobicContact CB-SD 3.77Å; Q200-M236 HydrophobicContact CG-SD 3.71Å; T202-M236 HydrophobicContact CG2-CB 3.9Å; T202-M236 HydrophobicContact CG2-CG 4.36Å; M236-P244 HydrophobicContact CE-CG 3.99Å; M236-P244 WeakPolarHBondContact O-CD 3.47Å; M236-L298 HydrophobicContact CB-CD1 3.77Å; M236-L298 HydrophobicContact CE-CD1 3.61Å; M236-L298 HydrophobicContact SD-CD1 4.19Å; M236-N300 WeakPolarHBondContact CE-ND2 3.26Å; M236-I316 HydrophobicContact CE-CB 4.47Å; M236-I316 HydrophobicContact CE-CD1 4.38Å; M236-I316 WeakPolarHBondContact CE-O 3.29Å
237	T	97.6	Very high	96.7	Very high	21 Å²	21	34.7 Å²	34.7	13%	0.129	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-117.6	121.6	-175.9	-60.3	0	0	0	0	110	T181 F183 R184 R235 V243	T181-T237 PolarHBondContact O-N 2.73Å; F183-T237 PolarHBondContact N-O 3.13Å; R184-T237 HydrophobicContact CG-CG2 4.15Å; R235-T237 PolarHBondContact O-N 3.38Å; R235-T237 PolarHBondContact O-OG1 2.93Å; R235-T237 VanDerWaalsContact O-OG1 3.07Å; T237-V243 HydrophobicContact CG2-CG2 4.43Å
238	N	98.1	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.			trans	-70.1	166	176.7	-169.8	39	0	0	0	111.6	R184 D240 G241 Y242 N306 Y314 I316	R184-N238 WeakPolarHBondContact CG-O 3.44Å; N238-D240 WeakPolarHBondContact CB-OD1 3.2Å; N238-D240 PolarHBondContact ND2-OD1 2.86Å; N238-D240 PolarHBondContact O-N 3.06Å; N238-G241 PolarHBondContact O-N 3.37Å; N238-Y242 HydrophobicContact CB-CD1 4.26Å; N238-Y242 WeakPolarHBondContact CB-O 3.38Å; N238-Y242 PolarHBondContact N-O 3.37Å; N238-N306 PolarHBondContact ND2-O 3.13Å; N238-Y314 PolarHBondContact OD1-OH 3.1Å; N238-I316 HydrophobicContact CB-CD1 3.87Å; N238-I316 VanDerWaalsContact OD1-CD1 3.22Å; N238-I316 WeakPolarHBondContact OD1-CD1 3.34Å
239	Y	97.9	Very high	96.7	Very high	44 Å²	44	38.2 Å²	38.2	17%	0.173	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.2	-175.1	82.6	-85	0	0	0	115	I186 N187 N306 Q307 P308	I186-Y239 HydrophobicContact CD1-CG 4.26Å; N187-Y239 PolarHBondContact ND2-O 3.27Å; Y239-N306 HydrophobicContact CE1-CB 4.03Å; Y239-N306 WeakPolarHBondContact CE1-O 3.21Å; Y239-Q307 PolarHBondContact OH-O 2.99Å; Y239-P308 HydrophobicContact CD1-CG 3.66Å; Y239-P308 HydrophobicContact CD2-CB 4.33Å; Y239-P308 HydrophobicContact CD2-CG 3.84Å; Y239-P308 HydrophobicContact CE1-CB 4.42Å; Y239-P308 HydrophobicContact CE1-CG 3.71Å; Y239-P308 HydrophobicContact CE2-CB 4.02Å; Y239-P308 HydrophobicContact CE2-CG 3.9Å; Y239-P308 HydrophobicContact CG-CG 3.73Å
240	D	98	Very high	96.7	Very high	67 Å²	67	40.9 Å²	40.9	36%	0.358	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.5	179.5	61.5	-10.7	0	0	0	113.3	N238 Y242 N306	N238-D240 WeakPolarHBondContact CB-OD1 3.2Å; N238-D240 PolarHBondContact ND2-OD1 2.86Å; N238-D240 PolarHBondContact O-N 3.06Å; D240-Y242 VanDerWaalsContact OD1-CB 3.25Å; D240-Y242 WeakPolarHBondContact OD1-CB 3.36Å; D240-Y242 PolarHBondContact OD1-N 2.78Å; D240-N306 WeakPolarHBondContact OD2-CB 3.32Å; D240-N306 PolarHBondContact OD2-ND2 2.68Å
241	G	97.5	Very high	96.8	Very high	38 Å²	38	37.8 Å²	37.8	39%	0.392	21%	0.214	S	C	.	.	S	Bend	trans	87.5	2.3	-174.3	0	0	0	0	0	114.7	N238 V243	N238-G241 PolarHBondContact O-N 3.37Å; G241-V243 PolarHBondContact O-N 2.9Å
242	Y	97.5	Very high	96.6	Very high	77 Å²	77	40.2 Å²	40.2	30%	0.302	24%	0.235	S	C	.	.			trans	-66.3	126	172.8	169.9	-102.3	0	0	0	111.1	N238 D240 P244 P245	N238-Y242 HydrophobicContact CB-CD1 4.26Å; N238-Y242 WeakPolarHBondContact CB-O 3.38Å; N238-Y242 PolarHBondContact N-O 3.37Å; D240-Y242 VanDerWaalsContact OD1-CB 3.25Å; D240-Y242 WeakPolarHBondContact OD1-CB 3.36Å; D240-Y242 PolarHBondContact OD1-N 2.78Å; Y242-P244 HydrophobicContact CD1-CG 4.45Å; Y242-P244 HydrophobicContact CE1-CB 4.46Å; Y242-P244 HydrophobicContact CE1-CG 3.97Å; Y242-P245 VanDerWaalsContact OH-CD 3.26Å; Y242-P245 WeakPolarHBondContact OH-CD 3.41Å
243	V	96.9	Very high	96.5	Very high	54 Å²	54	43.2 Å²	43.2	33%	0.327	26%	0.257	S	S	.	.			trans	-104.5	118.3	174.2	178.9	0	0	0	0	108.3	R235 T237 G241	R235-V243 HydrophobicContact CB-CG1 3.73Å; T237-V243 HydrophobicContact CG2-CG2 4.43Å; G241-V243 PolarHBondContact O-N 2.9Å
244	P	96.2	Very high	96.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53.3	136.2	173.5	-32.5	40.9	0	0	0	113.3	R235 M236 Y242 L298 N300	R235-P244 PolarHBondContact NH2-O 3.32Å; M236-P244 HydrophobicContact CE-CG 3.99Å; M236-P244 WeakPolarHBondContact O-CD 3.47Å; Y242-P244 HydrophobicContact CD1-CG 4.45Å; Y242-P244 HydrophobicContact CE1-CB 4.46Å; Y242-P244 HydrophobicContact CE1-CG 3.97Å; P244-L298 HydrophobicContact CB-CB 4.18Å; P244-N300 HydrophobicContact CB-CB 3.92Å; P244-N300 HydrophobicContact CG-CB 3.86Å
245	P	96.8	Very high	96.7	Very high	32 Å²	32	40.4 Å²	40.4	21%	0.208	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.4	160.7	165.3	26.7	-28.8	0	0	0	110.2	Y242 N299	Y242-P245 VanDerWaalsContact OH-CD 3.26Å; Y242-P245 WeakPolarHBondContact OH-CD 3.41Å; P245-N299 HydrophobicContact CG-CB 4.21Å; P245-N299 PolarHBondContact O-N 3.24Å
246	F	97.5	Very high	96.9	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-76.1	169.8	169.1	-61.1	-68.5	0	0	0	110.6	F229 M232 R235 Y294 L298 N299 Y321	F229-F246 HydrophobicContact CB-CD2 4.2Å; F229-F246 HydrophobicContact CB-CE2 4.06Å; F229-F246 AromaticContact CD1-CD2 3.48Å; F229-F246 HydrophobicContact CD1-CD2 3.48Å; F229-F246 VanDerWaalsContact CD1-CD2 3.48Å; F229-F246 AromaticContact CD1-CE2 3.64Å; F229-F246 HydrophobicContact CD1-CE2 3.64Å; F229-F246 AromaticContact CD2-CD2 3.67Å; F229-F246 HydrophobicContact CD2-CD2 3.67Å; F229-F246 HydrophobicContact CD2-CE2 4.38Å; F229-F246 AromaticContact CE1-CD2 3.55Å; F229-F246 HydrophobicContact CE1-CD2 3.55Å; F229-F246 HydrophobicContact CE1-CE2 4.07Å; F229-F246 HydrophobicContact CE1-CG 4.28Å; F229-F246 HydrophobicContact CE2-CB 4.04Å; F229-F246 AromaticContact CE2-CD2 3.72Å; F229-F246 HydrophobicContact CE2-CD2 3.72Å; F229-F246 HydrophobicContact CE2-CG 4.35Å; F229-F246 AromaticContact CG-CD2 3.54Å; F229-F246 HydrophobicContact CG-CD2 3.54Å; F229-F246 AromaticContact CG-CE2 3.81Å; F229-F246 HydrophobicContact CG-CE2 3.81Å; F229-F246 HydrophobicContact CZ-CB 3.93Å; F229-F246 AromaticContact CZ-CD2 3.67Å; F229-F246 HydrophobicContact CZ-CD2 3.67Å; F229-F246 HydrophobicContact CZ-CG 4.16Å; M232-F246 HydrophobicContact CB-CE2 4.29Å; M232-F246 HydrophobicContact CB-CZ 4.22Å; M232-F246 HydrophobicContact CG-CE2 4.06Å; M232-F246 HydrophobicContact CG-CZ 4.26Å; R235-F246 HydrophobicContact CG-CZ 3.94Å; F246-Y294 WeakPolarHBondContact CB-OH 3.44Å; F246-Y294 HydrophobicContact CD1-CE1 4.1Å; F246-Y294 HydrophobicContact CD2-CE1 4.17Å; F246-Y294 HydrophobicContact CE1-CE1 4.12Å; F246-Y294 HydrophobicContact CE2-CE1 4.16Å; F246-Y294 HydrophobicContact CG-CE1 4.13Å; F246-Y294 HydrophobicContact CZ-CE1 4.13Å; F246-L298 HydrophobicContact CD1-CD2 3.71Å; F246-L298 HydrophobicContact CE1-CD2 3.72Å; F246-N299 WeakPolarHBondContact O-CB 3.37Å; F246-Y321 AromaticContact CE1-CD1 3.82Å; F246-Y321 HydrophobicContact CE1-CD1 3.82Å; F246-Y321 HydrophobicContact CE1-CD2 4.13Å; F246-Y321 HydrophobicContact CE1-CE1 4.49Å; F246-Y321 AromaticContact CE1-CG 3.6Å; F246-Y321 HydrophobicContact CE1-CG 3.6Å; F246-Y321 HydrophobicContact CZ-CD1 4.06Å; F246-Y321 HydrophobicContact CZ-CD2 4.3Å; F246-Y321 HydrophobicContact CZ-CE1 4.29Å; F246-Y321 HydrophobicContact CZ-CE2 4.49Å; F246-Y321 HydrophobicContact CZ-CG 4.05Å
247	T	97.5	Very high	97	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.117	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-70.1	133.6	168.3	-176.3	0	0	0	0	111	S249 Q254 A296 R297	T247-S249 PolarHBondContact O-N 2.8Å; T247-S249 PolarHBondContact OG1-N 2.89Å; T247-Q254 HydrophobicContact CG2-CB 3.94Å; T247-Q254 WeakPolarHBondContact CG2-O 3.22Å; T247-A296 HydrophobicContact CG2-CB 4.33Å; T247-R297 HydrophobicContact CG2-CB 4.11Å; T247-R297 PolarHBondContact N-O 3.45Å
248	T	97.8	Very high	97	Very high	69 Å²	69	39.2 Å²	39.2	42%	0.423	23%	0.232	S	C	.	.			trans	-83.2	4.6	171.8	50.1	0	0	0	0	112.9
249	S	97.9	Very high	97.1	Very high	42 Å²	42	39.8 Å²	39.8	29%	0.294	24%	0.235	S	C	.	.			trans	-83.2	117.3	173.5	-175.2	0	0	0	0	111.3	T247 S251 T255	T247-S249 PolarHBondContact O-N 2.8Å; T247-S249 PolarHBondContact OG1-N 2.89Å; S249-S251 PolarHBondContact O-N 3.11Å; S249-S251 PolarHBondContact OG-N 2.89Å; S249-S251 PolarHBondContact OG-OG 3.19Å; S249-T255 WeakPolarHBondContact O-CB 3.39Å; S249-T255 PolarHBondContact O-OG1 2.93Å
250	N	97	Very high	97.1	Very high	64 Å²	64	41.2 Å²	41.2	34%	0.342	25%	0.245	S	C	.	.			trans	-75.8	1.1	171.4	64.9	-3.5	0	0	0	114.3	S266 L269 I271	N250-S266 PolarHBondContact ND2-O 2.68Å; N250-S266 VanDerWaalsContact ND2-O 3.09Å; N250-S266 WeakPolarHBondContact O-CB 3.24Å; N250-L269 HydrophobicContact CB-CB 4.03Å; N250-L269 WeakPolarHBondContact CB-O 3.43Å; N250-L269 PolarHBondContact ND2-O 3.04Å; N250-I271 HydrophobicContact CB-CD1 4.05Å; N250-I271 HydrophobicContact CB-CG1 4.37Å
251	S	96.8	Very high	97	Very high	39 Å²	39	39.7 Å²	39.7	27%	0.273	25%	0.245	S	C	.	.	S	Bend	trans	-65.6	141.4	179.1	69.7	0	0	0	0	110.9	S249 S253 Q254 T255	S249-S251 PolarHBondContact O-N 3.11Å; S249-S251 PolarHBondContact OG-N 2.89Å; S249-S251 PolarHBondContact OG-OG 3.19Å; S251-S253 PolarHBondContact O-N 2.81Å; S251-S253 PolarHBondContact OG-OG 2.82Å; S251-Q254 WeakPolarHBondContact O-CA 3.44Å; S251-Q254 PolarHBondContact O-N 3.28Å; S251-Q254 VanDerWaalsContact OG-CG 3.24Å; S251-Q254 WeakPolarHBondContact OG-CG 3.34Å; S251-T255 PolarHBondContact O-N 2.84Å
252	S	91.7	Very high	97	Very high	90 Å²	90	42.8 Å²	42.8	63%	0.629	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.8	-178.9	54.1	0	0	0	0	114.5	Q254 T255	S252-Q254 VanDerWaalsContact C-N 3.29Å; S252-T255 WeakPolarHBondContact CA-O 3.36Å
253	S	93	Very high	97	Very high	75 Å²	75	43.3 Å²	43.3	52%	0.524	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8	173.1	77.3	0	0	0	0	114.5	S251 R297	S251-S253 PolarHBondContact O-N 2.81Å; S251-S253 PolarHBondContact OG-OG 2.82Å; S253-R297 PolarHBondContact O-NH1 3.23Å; S253-R297 PolarHBondContact O-NH2 3.03Å
254	Q	96.9	Very high	97.1	Very high	60 Å²	60	41.4 Å²	41.4	28%	0.28	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-37.2	-172	-62.4	-69.1	-4.7	0	0	112.5	T247 S251 S252 A296 R297	T247-Q254 HydrophobicContact CG2-CB 3.94Å; T247-Q254 WeakPolarHBondContact CG2-O 3.22Å; S251-Q254 WeakPolarHBondContact O-CA 3.44Å; S251-Q254 PolarHBondContact O-N 3.28Å; S251-Q254 VanDerWaalsContact OG-CG 3.24Å; S251-Q254 WeakPolarHBondContact OG-CG 3.34Å; S252-Q254 VanDerWaalsContact C-N 3.29Å; Q254-A296 WeakPolarHBondContact O-CA 3.39Å; Q254-R297 PolarHBondContact O-N 3.22Å
255	T	97.8	Very high	97.2	Very high	4 Å²	4	46 Å²	46	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.8	-179.3	-61.9	0	0	0	0	110.8	S249 S251 S252 I271 Y294 N295	S249-T255 WeakPolarHBondContact O-CB 3.39Å; S249-T255 PolarHBondContact O-OG1 2.93Å; S251-T255 PolarHBondContact O-N 2.84Å; S252-T255 WeakPolarHBondContact CA-O 3.36Å; T255-I271 HydrophobicContact CG2-CD1 3.85Å; T255-Y294 HydrophobicContact CG2-CD2 4.48Å; T255-Y294 HydrophobicContact CG2-CE2 3.78Å; T255-N295 CarbonylContact C-O 3.48Å
256	Y	98.2	Very high	97.1	Very high	42 Å²	42	46.9 Å²	46.9	17%	0.165	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.3	166	175.5	-79.9	0	0	0	107.9	D258 Q263 E293 N295 K597	Y256-D258 HydrophobicContact CE1-CB 3.77Å; Y256-D258 PolarHBondContact OH-OD2 2.99Å; Y256-Q263 HydrophobicContact CD2-CB 4.37Å; Y256-Q263 HydrophobicContact CD2-CG 3.73Å; Y256-Q263 HydrophobicContact CE2-CB 3.67Å; Y256-Q263 HydrophobicContact CE2-CG 3.55Å; Y256-E293 HydrophobicContact CE1-CB 4.4Å; Y256-N295 HydrophobicContact CD1-CB 4.34Å; Y256-N295 PolarHBondContact N-O 3.43Å; Y256-N295 PolarHBondContact O-N 3.5Å; Y256-K597 WeakPolarHBondContact OH-CE 3.48Å
257	L	98.5	Very high	97.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.4	168.6	-178	62.8	0	0	0	106.6	I227 L264 L269 I276 V278 F292 E293 Y294	I227-L257 HydrophobicContact CD1-CD1 4.4Å; I227-L257 HydrophobicContact CD1-CD2 3.97Å; L257-L264 HydrophobicContact CB-CD1 4.5Å; L257-L264 HydrophobicContact CD2-CD1 3.92Å; L257-L264 HydrophobicContact CG-CD1 3.96Å; L257-L264 PolarHBondContact O-N 2.89Å; L257-L269 HydrophobicContact CB-CD1 4.23Å; L257-L269 HydrophobicContact CD2-CD2 3.93Å; L257-I276 HydrophobicContact CD2-CD1 4.3Å; L257-I276 HydrophobicContact CD2-CG2 4.26Å; L257-V278 HydrophobicContact CD2-CG2 3.7Å; L257-F292 HydrophobicContact CD1-CB 4.49Å; L257-F292 HydrophobicContact CD1-CD2 3.89Å; L257-E293 WeakPolarHBondContact CA-O 3.19Å; L257-Y294 HydrophobicContact CD1-CD2 4.3Å
258	D	98.5	Very high	97.2	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	158.4	169.2	76.9	36.3	0	0	0	111.3	Y256 G261 V262 F292 E293 K597	Y256-D258 HydrophobicContact CE1-CB 3.77Å; Y256-D258 PolarHBondContact OH-OD2 2.99Å; D258-G261 PolarHBondContact OD1-N 3.01Å; D258-G261 WeakPolarHBondContact OD2-CA 3.48Å; D258-V262 VanDerWaalsContact CA-O 3.29Å; D258-V262 WeakPolarHBondContact CA-O 3.47Å; D258-V262 WeakPolarHBondContact CB-O 3.46Å; D258-F292 WeakPolarHBondContact O-CB 3.49Å; D258-E293 PolarHBondContact N-O 3.14Å; D258-E293 VanDerWaalsContact N-O 3.1Å; D258-E293 PolarHBondContact OD1-N 3.43Å; D258-E293 WeakPolarHBondContact OD2-CB 3.28Å; D258-K597 IonicContact OD2-NZ 3.17Å; D258-K597 PolarHBondContact OD2-NZ 3.28Å
259	F	98.4	Very high	97.2	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.8	158.5	-75.5	-17	0	0	0	107.2	I225 I227 G261 V262 L264 V278 V281 L289 F292	I225-F259 HydrophobicContact CD1-CE2 3.95Å; I225-F259 HydrophobicContact CD1-CZ 3.68Å; I227-F259 HydrophobicContact CD1-CE1 4.41Å; F259-G261 PolarHBondContact O-N 3.06Å; F259-G261 VanDerWaalsContact O-N 3.12Å; F259-V262 PolarHBondContact N-O 2.99Å; F259-V262 PolarHBondContact O-N 3.1Å; F259-L264 HydrophobicContact CB-CD2 4.15Å; F259-L264 HydrophobicContact CD1-CD1 4.07Å; F259-L264 HydrophobicContact CD2-CD1 3.95Å; F259-L264 HydrophobicContact CD2-CD2 3.81Å; F259-L264 HydrophobicContact CD2-CG 4.44Å; F259-L264 HydrophobicContact CE1-CD1 4.04Å; F259-L264 HydrophobicContact CE2-CD1 3.93Å; F259-L264 HydrophobicContact CE2-CD2 4.44Å; F259-L264 HydrophobicContact CG-CD1 4.01Å; F259-L264 HydrophobicContact CG-CD2 4Å; F259-L264 HydrophobicContact CG-CG 4.37Å; F259-L264 HydrophobicContact CZ-CD1 3.96Å; F259-V278 HydrophobicContact CE2-CG1 3.95Å; F259-V278 HydrophobicContact CZ-CB 4.21Å; F259-V278 HydrophobicContact CZ-CG1 3.97Å; F259-V278 HydrophobicContact CZ-CG2 4.02Å; F259-V281 HydrophobicContact CE2-CG2 4.2Å; F259-L289 HydrophobicContact CB-CD1 3.7Å; F259-L289 HydrophobicContact CD1-CD1 3.57Å; F259-L289 HydrophobicContact CD1-CD2 4.26Å; F259-L289 HydrophobicContact CD2-CD1 4.3Å; F259-L289 HydrophobicContact CE1-CD1 4.26Å; F259-L289 HydrophobicContact CE1-CD2 4.12Å; F259-L289 HydrophobicContact CG-CD1 3.61Å; F259-L289 HydrophobicContact CZ-CD2 4.39Å; F259-F292 HydrophobicContact CD1-CB 3.93Å; F259-F292 HydrophobicContact CE1-CB 4.39Å
260	N	98	Very high	97.2	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	35.1	-176.3	-62.3	-19.4	0	0	0	113.5	V262 Q288 Q290 T291	N260-V262 VanDerWaalsContact C-N 3.31Å; N260-V262 PolarHBondContact O-N 3.08Å; N260-Q288 PolarHBondContact ND2-O 2.88Å; N260-Q290 PolarHBondContact OD1-N 3.5Å; N260-T291 PolarHBondContact N-O 3.23Å; N260-T291 PolarHBondContact OD1-N 3.34Å; N260-T291 PolarHBondContact OD1-O 3.13Å
261	G	97.1	Very high	97.3	Very high	35 Å²	35	49.4 Å²	49.4	36%	0.361	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	0.1	-177.6	0	0	0	0	0	115.8	D258 F259	D258-G261 PolarHBondContact OD1-N 3.01Å; D258-G261 WeakPolarHBondContact OD2-CA 3.48Å; F259-G261 PolarHBondContact O-N 3.06Å; F259-G261 VanDerWaalsContact O-N 3.12Å
262	V	97.7	Very high	97.3	Very high	103 Å²	103	50.7 Å²	50.7	62%	0.624	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.2	176.3	-176.9	0	0	0	0	109.9	D258 F259 N260 L264	D258-V262 VanDerWaalsContact CA-O 3.29Å; D258-V262 WeakPolarHBondContact CA-O 3.47Å; D258-V262 WeakPolarHBondContact CB-O 3.46Å; F259-V262 PolarHBondContact N-O 2.99Å; F259-V262 PolarHBondContact O-N 3.1Å; N260-V262 VanDerWaalsContact C-N 3.31Å; N260-V262 PolarHBondContact O-N 3.08Å; V262-L264 PolarHBondContact O-N 2.74Å
263	Q	97.7	Very high	97.5	Very high	88 Å²	88	51.8 Å²	51.8	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	131.1	-179.8	-175	178.6	-0.4	0	0	111.4	Y256	Y256-Q263 HydrophobicContact CD2-CB 4.37Å; Y256-Q263 HydrophobicContact CD2-CG 3.73Å; Y256-Q263 HydrophobicContact CE2-CB 3.67Å; Y256-Q263 HydrophobicContact CE2-CG 3.55Å
264	L	97.8	Very high	97.6	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.9	140.6	175.8	-56.9	-178.7	0	0	0	111.2	L257 F259 V262 L269 V278	L257-L264 HydrophobicContact CB-CD1 4.5Å; L257-L264 HydrophobicContact CD2-CD1 3.92Å; L257-L264 HydrophobicContact CG-CD1 3.96Å; L257-L264 PolarHBondContact O-N 2.89Å; F259-L264 HydrophobicContact CB-CD2 4.15Å; F259-L264 HydrophobicContact CD1-CD1 4.07Å; F259-L264 HydrophobicContact CD2-CD1 3.95Å; F259-L264 HydrophobicContact CD2-CD2 3.81Å; F259-L264 HydrophobicContact CD2-CG 4.44Å; F259-L264 HydrophobicContact CE1-CD1 4.04Å; F259-L264 HydrophobicContact CE2-CD1 3.93Å; F259-L264 HydrophobicContact CE2-CD2 4.44Å; F259-L264 HydrophobicContact CG-CD1 4.01Å; F259-L264 HydrophobicContact CG-CD2 4Å; F259-L264 HydrophobicContact CG-CG 4.37Å; F259-L264 HydrophobicContact CZ-CD1 3.96Å; V262-L264 PolarHBondContact O-N 2.74Å; L264-L269 HydrophobicContact CB-CD2 4.32Å; L264-L269 HydrophobicContact CD1-CD2 4.08Å; L264-V278 HydrophobicContact CD1-CG1 3.76Å; L264-V278 HydrophobicContact CD1-CG2 4.34Å
265	D	97.5	Very high	97.7	Very high	99 Å²	99	53.4 Å²	53.4	53%	0.529	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-63.8	136	171.6	-174.2	-81.8	0	0	0	110.4	S267 R268	D265-S267 PolarHBondContact O-N 2.91Å; D265-S267 VanDerWaalsContact O-N 3.12Å; D265-S267 WeakPolarHBondContact OD1-CB 3.42Å; D265-S267 PolarHBondContact OD1-N 2.86Å; D265-S267 PolarHBondContact OD1-OG 2.89Å; D265-R268 WeakPolarHBondContact O-CB 3.48Å; D265-R268 PolarHBondContact O-N 3.32Å
266	S	96.5	Very high	97.7	Very high	49 Å²	49	53.3 Å²	53.3	34%	0.343	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-62.2	-22.4	-175	52.6	0	0	0	0	113.9	N250 R268 L269	N250-S266 PolarHBondContact ND2-O 2.68Å; N250-S266 VanDerWaalsContact ND2-O 3.09Å; N250-S266 WeakPolarHBondContact O-CB 3.24Å; S266-R268 PolarHBondContact O-N 3.45Å; S266-L269 PolarHBondContact O-N 2.78Å; S266-L269 VanDerWaalsContact O-N 3.14Å
267	S	97.3	Very high	97.7	Very high	96 Å²	96	53.4 Å²	53.4	67%	0.671	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20.9	173.6	66.7	0	0	0	0	113.5	D265 L269	D265-S267 PolarHBondContact O-N 2.91Å; D265-S267 VanDerWaalsContact O-N 3.12Å; D265-S267 WeakPolarHBondContact OD1-CB 3.42Å; D265-S267 PolarHBondContact OD1-N 2.86Å; D265-S267 PolarHBondContact OD1-OG 2.89Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 3.35Å
268	R	98.1	Very high	97.7	Very high	48 Å²	48	53.4 Å²	53.4	18%	0.181	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-71.2	-23.7	171.7	-61	-175.4	74.7	174.1	6.3	112.3	D265 S266 V278 S279 G280 E285	D265-R268 WeakPolarHBondContact O-CB 3.48Å; D265-R268 PolarHBondContact O-N 3.32Å; S266-R268 PolarHBondContact O-N 3.45Å; R268-V278 HydrophobicContact CB-CG1 4.37Å; R268-S279 WeakPolarHBondContact CA-OG 3.25Å; R268-S279 PolarHBondContact NE-O 2.82Å; R268-S279 PolarHBondContact NH2-O 2.98Å; R268-S279 PolarHBondContact O-N 3Å; R268-S279 PolarHBondContact O-OG 2.92Å; R268-G280 VanDerWaalsContact NH2-C 3.34Å; R268-G280 PolarHBondContact NH2-O 3.07Å; R268-G280 VanDerWaalsContact NH2-O 3.07Å; R268-E285 IonicContact CZ-OE1 2.67Å; R268-E285 IonicContact CZ-OE2 2.65Å; R268-E285 IonicContact NH1-OE1 2.98Å; R268-E285 PolarHBondContact NH1-OE1 3.32Å; R268-E285 IonicContact NH1-OE2 2.69Å; R268-E285 IonicContact NH2-OE1 3.25Å; R268-E285 PolarHBondContact NH2-OE1 2.95Å; R268-E285 IonicContact NH2-OE2 2.71Å; R268-E285 PolarHBondContact NH2-OE2 3.45Å
269	L	98.5	Very high	97.7	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119	-164	-51.5	-177.1	0	0	0	112.2	N250 L257 L264 S266 S267 I276 V278	N250-L269 HydrophobicContact CB-CB 4.03Å; N250-L269 WeakPolarHBondContact CB-O 3.43Å; N250-L269 PolarHBondContact ND2-O 3.04Å; L257-L269 HydrophobicContact CB-CD1 4.23Å; L257-L269 HydrophobicContact CD2-CD2 3.93Å; L264-L269 HydrophobicContact CB-CD2 4.32Å; L264-L269 HydrophobicContact CD1-CD2 4.08Å; S266-L269 PolarHBondContact O-N 2.78Å; S266-L269 VanDerWaalsContact O-N 3.14Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 3.35Å; L269-I276 HydrophobicContact CD2-CG2 4.28Å; L269-V278 HydrophobicContact CD2-CB 4.42Å; L269-V278 HydrophobicContact CD2-CG1 4.2Å; L269-V278 HydrophobicContact CD2-CG2 3.87Å
270	T	98.4	Very high	97.7	Very high	84 Å²	84	56.9 Å²	56.9	52%	0.515	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.6	165.1	-60.6	0	0	0	0	108.8	I276 T277	T270-I276 CarbonylContact O-C 3.55Å; T270-I276 WeakPolarHBondContact O-CA 3.45Å; T270-T277 PolarHBondContact N-O 3.4Å; T270-T277 PolarHBondContact O-N 2.84Å
271	I	98.4	Very high	97.7	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.092	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.4	-172.6	-48.2	179.2	0	0	0	109.8	F229 N250 T255 I276	F229-I271 HydrophobicContact CE2-CG2 4.18Å; F229-I271 HydrophobicContact CZ-CG2 3.84Å; N250-I271 HydrophobicContact CB-CD1 4.05Å; N250-I271 HydrophobicContact CB-CG1 4.37Å; T255-I271 HydrophobicContact CG2-CD1 3.85Å; I271-I276 HydrophobicContact CG1-CG1 4.28Å; I271-I276 HydrophobicContact CG1-CG2 4.28Å; I271-I276 HydrophobicContact CG2-CG1 4.27Å
272	T	97.8	Very high	97.8	Very high	66 Å²	66	53.9 Å²	53.9	41%	0.405	32%	0.318	S	S	.	.			trans	-117.8	-179.5	173.9	69.4	0	0	0	0	109.8	F229 E274 G275	F229-T272 VanDerWaalsContact CE2-O 3.25Å; F229-T272 WeakPolarHBondContact CE2-O 3.48Å; T272-E274 PolarHBondContact O-N 3.27Å; T272-E274 PolarHBondContact OG1-N 2.82Å; T272-E274 VanDerWaalsContact OG1-N 3.11Å; T272-G275 PolarHBondContact N-O 3.38Å; T272-G275 PolarHBondContact OG1-N 3.29Å
273	D	95.3	Very high	97.6	Very high	113 Å²	113	53 Å²	53	60%	0.604	31%	0.307	S	S	*	.	S	Bend	trans	-69.8	-10.1	170.7	-63.4	-49.7	0	0	0	112.9
274	E	95.8	Very high	97.5	Very high	161 Å²	161	55 Å²	55	75%	0.752	32%	0.317	S	S	*	.	S	Bend	trans	-100.2	-28.6	-176.9	-61	-179	165.4	0	0	113.3	F229 T272	F229-E274 PolarHBondContact N-O 3.11Å; T272-E274 PolarHBondContact O-N 3.27Å; T272-E274 PolarHBondContact OG1-N 2.82Å; T272-E274 VanDerWaalsContact OG1-N 3.11Å
275	G	97.6	Very high	97.5	Very high	8 Å²	8	57 Å²	57	8%	0.082	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-164.3	-176.5	0	0	0	0	0	115.3	I227 T272	I227-G275 CarbonylContact O-C 3.59Å; I227-G275 WeakPolarHBondContact O-CA 3.41Å; T272-G275 PolarHBondContact N-O 3.38Å; T272-G275 PolarHBondContact OG1-N 3.29Å
276	I	98.5	Very high	97.5	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120	-179.9	-51.5	171.4	0	0	0	109.9	I227 F229 L257 L269 T270 I271 V278 Y294	I227-I276 HydrophobicContact CB-CB 4.49Å; I227-I276 PolarHBondContact N-O 3.45Å; I227-I276 PolarHBondContact O-N 2.97Å; F229-I276 HydrophobicContact CE1-CD1 3.96Å; F229-I276 HydrophobicContact CE1-CG1 3.71Å; F229-I276 HydrophobicContact CZ-CD1 4.4Å; F229-I276 HydrophobicContact CZ-CG1 3.85Å; L257-I276 HydrophobicContact CD2-CD1 4.3Å; L257-I276 HydrophobicContact CD2-CG2 4.26Å; L269-I276 HydrophobicContact CD2-CG2 4.28Å; T270-I276 CarbonylContact O-C 3.55Å; T270-I276 WeakPolarHBondContact O-CA 3.45Å; I271-I276 HydrophobicContact CG1-CG1 4.28Å; I271-I276 HydrophobicContact CG1-CG2 4.28Å; I271-I276 HydrophobicContact CG2-CG1 4.27Å; I276-V278 HydrophobicContact CG2-CG2 4.11Å; I276-Y294 HydrophobicContact CD1-CD2 3.7Å; I276-Y294 HydrophobicContact CD1-CE2 3.36Å; I276-Y294 HydrophobicContact CD1-CG 4.47Å
277	T	98.5	Very high	97.3	Very high	45 Å²	45	55 Å²	55	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.8	162.4	-55.9	0	0	0	0	108.9	T224 I225 D226 T270	T224-T277 HydrophobicContact CG2-CG2 4.03Å; I225-T277 CarbonylContact O-C 3.59Å; I225-T277 WeakPolarHBondContact O-CA 3.22Å; D226-T277 WeakPolarHBondContact OD1-CA 3.46Å; D226-T277 WeakPolarHBondContact OD1-CB 3.47Å; D226-T277 VanDerWaalsContact OD1-CG2 3.26Å; D226-T277 WeakPolarHBondContact OD1-CG2 3.49Å; D226-T277 PolarHBondContact OD1-OG1 3.44Å; T270-T277 PolarHBondContact N-O 3.4Å; T270-T277 PolarHBondContact O-N 2.84Å
278	V	98.7	Very high	97.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.1	169	-173.3	0	0	0	0	108.2	T224 I225 I227 L257 F259 L264 R268 L269 I276 V281	T224-V278 CarbonylContact C-O 3.59Å; T224-V278 WeakPolarHBondContact CA-O 3.15Å; I225-V278 HydrophobicContact CB-CB 4.3Å; I225-V278 PolarHBondContact N-O 2.86Å; I225-V278 PolarHBondContact O-N 3.25Å; I227-V278 HydrophobicContact CD1-CG2 4.28Å; L257-V278 HydrophobicContact CD2-CG2 3.7Å; F259-V278 HydrophobicContact CE2-CG1 3.95Å; F259-V278 HydrophobicContact CZ-CB 4.21Å; F259-V278 HydrophobicContact CZ-CG1 3.97Å; F259-V278 HydrophobicContact CZ-CG2 4.02Å; L264-V278 HydrophobicContact CD1-CG1 3.76Å; L264-V278 HydrophobicContact CD1-CG2 4.34Å; R268-V278 HydrophobicContact CB-CG1 4.37Å; L269-V278 HydrophobicContact CD2-CB 4.42Å; L269-V278 HydrophobicContact CD2-CG1 4.2Å; L269-V278 HydrophobicContact CD2-CG2 3.87Å; I276-V278 HydrophobicContact CG2-CG2 4.11Å; V278-V281 HydrophobicContact CB-CG2 4.18Å; V278-V281 HydrophobicContact CG1-CG2 3.78Å
279	S	98.5	Very high	97.3	Very high	42 Å²	42	53.4 Å²	53.4	29%	0.294	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	159.7	-175.5	59	0	0	0	0	113.9	Q223 R268 V281	Q223-S279 CarbonylContact O-C 3.55Å; R268-S279 WeakPolarHBondContact CA-OG 3.25Å; R268-S279 PolarHBondContact NE-O 2.82Å; R268-S279 PolarHBondContact NH2-O 2.98Å; R268-S279 PolarHBondContact O-N 3Å; R268-S279 PolarHBondContact O-OG 2.92Å; S279-V281 VanDerWaalsContact C-N 3.3Å; S279-V281 PolarHBondContact O-N 2.91Å
280	G	98.1	Very high	97.2	Very high	47 Å²	47	59.7 Å²	59.7	49%	0.485	32%	0.323	S	S	.	.	S	Bend	trans	69.9	24.6	-176.3	0	0	0	0	0	113.5	Q223 R268	Q223-G280 CarbonylContact O-C 3.56Å; Q223-G280 PolarHBondContact O-N 2.89Å; R268-G280 VanDerWaalsContact NH2-C 3.34Å; R268-G280 PolarHBondContact NH2-O 3.07Å; R268-G280 VanDerWaalsContact NH2-O 3.07Å
281	V	98.3	Very high	97.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.314	C	S	.	.			trans	-81.1	116.4	178.2	-173.2	0	0	0	0	109.4	Y218 Q223 I225 F259 V278 S279 E285 F286	Y218-V281 HydrophobicContact CD2-CG1 4.4Å; Y218-V281 HydrophobicContact CE2-CB 4.23Å; Y218-V281 HydrophobicContact CE2-CG1 4.07Å; Q223-V281 CarbonylContact C-O 3.52Å; Q223-V281 WeakPolarHBondContact CA-O 3.44Å; Q223-V281 WeakPolarHBondContact CB-O 3.47Å; Q223-V281 PolarHBondContact O-N 2.75Å; I225-V281 HydrophobicContact CB-CG2 4.37Å; I225-V281 HydrophobicContact CD1-CG1 3.8Å; I225-V281 HydrophobicContact CD1-CG2 4.23Å; I225-V281 HydrophobicContact CG1-CB 4.39Å; I225-V281 HydrophobicContact CG1-CG1 4.07Å; I225-V281 HydrophobicContact CG1-CG2 4.17Å; F259-V281 HydrophobicContact CE2-CG2 4.2Å; V278-V281 HydrophobicContact CB-CG2 4.18Å; V278-V281 HydrophobicContact CG1-CG2 3.78Å; S279-V281 VanDerWaalsContact C-N 3.3Å; S279-V281 PolarHBondContact O-N 2.91Å; V281-E285 WeakPolarHBondContact CA-OE2 3.17Å; V281-E285 HydrophobicContact CG1-CB 4.2Å; V281-E285 HydrophobicContact CG1-CG 4.27Å; V281-F286 HydrophobicContact CG1-CB 4.15Å
282	S	97.8	Very high	97.2	Very high	44 Å²	44	57.5 Å²	57.5	31%	0.308	31%	0.31	S	S	.	.			trans	-77.6	161.6	175	79.2	0	0	0	0	111.3	E284 E285 F286	S282-E284 PolarHBondContact O-N 2.92Å; S282-E284 PolarHBondContact OG-N 3.21Å; S282-E285 PolarHBondContact O-N 3.32Å; S282-E285 WeakPolarHBondContact OG-CB 3.04Å; S282-E285 PolarHBondContact OG-N 3.2Å; S282-F286 PolarHBondContact O-N 3.27Å
283	Q	94.6	Very high	97.3	Very high	86 Å²	86	55.4 Å²	55.4	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-56.2	-43.1	172.9	-174.9	69.9	60.5	0	0	110.7	Y218 F286 D287	Y218-Q283 WeakPolarHBondContact OH-CA 3.21Å; Y218-Q283 PolarHBondContact OH-N 3.37Å; Y218-Q283 VanDerWaalsContact OH-N 3.1Å; Q283-F286 PolarHBondContact O-N 3.39Å; Q283-D287 PolarHBondContact NE2-OD1 2.83Å; Q283-D287 WeakPolarHBondContact O-CB 3.42Å; Q283-D287 PolarHBondContact O-N 2.88Å
284	E	96	Very high	97.4	Very high	129 Å²	129	50 Å²	50	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-66.7	-36.3	179.1	-173.7	174.6	-176.2	0	0	112.7	S282 Q288	S282-E284 PolarHBondContact O-N 2.92Å; S282-E284 PolarHBondContact OG-N 3.21Å; E284-Q288 VanDerWaalsContact O-CB 3.23Å; E284-Q288 WeakPolarHBondContact O-CB 3.48Å; E284-Q288 WeakPolarHBondContact O-CG 3.43Å; E284-Q288 PolarHBondContact O-N 2.91Å; E284-Q288 PolarHBondContact OE1-NE2 3.09Å
285	E	97.6	Very high	97.5	Very high	56 Å²	56	43.7 Å²	43.7	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-37.7	174.2	-174.5	-179.8	-166.3	0	0	111.7	R268 V281 S282 L289	R268-E285 IonicContact CZ-OE1 2.67Å; R268-E285 IonicContact CZ-OE2 2.65Å; R268-E285 IonicContact NH1-OE1 2.98Å; R268-E285 PolarHBondContact NH1-OE1 3.32Å; R268-E285 IonicContact NH1-OE2 2.69Å; R268-E285 IonicContact NH2-OE1 3.25Å; R268-E285 PolarHBondContact NH2-OE1 2.95Å; R268-E285 IonicContact NH2-OE2 2.71Å; R268-E285 PolarHBondContact NH2-OE2 3.45Å; V281-E285 WeakPolarHBondContact CA-OE2 3.17Å; V281-E285 HydrophobicContact CG1-CB 4.2Å; V281-E285 HydrophobicContact CG1-CG 4.27Å; S282-E285 PolarHBondContact O-N 3.32Å; S282-E285 WeakPolarHBondContact OG-CB 3.04Å; S282-E285 PolarHBondContact OG-N 3.2Å; E285-L289 PolarHBondContact O-N 2.87Å; E285-L289 VanDerWaalsContact O-N 3.14Å
286	F	97.2	Very high	97.5	Very high	21 Å²	21	43.4 Å²	43.4	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-49.4	174.5	175.7	-114	0	0	0	111.9	A213 L216 Y218 I225 V281 S282 Q283 Q288 L289 H329	A213-F286 HydrophobicContact CB-CE1 4.47Å; A213-F286 HydrophobicContact CB-CE2 4.02Å; A213-F286 HydrophobicContact CB-CZ 3.69Å; A213-F286 WeakPolarHBondContact O-CZ 3.18Å; L216-F286 HydrophobicContact CB-CE2 4.44Å; Y218-F286 HydrophobicContact CD1-CB 4.48Å; Y218-F286 AromaticContact CD1-CD1 3.56Å; Y218-F286 HydrophobicContact CD1-CD1 3.56Å; Y218-F286 AromaticContact CD1-CE1 3.85Å; Y218-F286 HydrophobicContact CD1-CE1 3.85Å; Y218-F286 HydrophobicContact CD1-CG 4.01Å; Y218-F286 HydrophobicContact CD2-CB 4Å; Y218-F286 HydrophobicContact CD2-CD1 4.33Å; Y218-F286 HydrophobicContact CD2-CD2 4.22Å; Y218-F286 AromaticContact CD2-CG 3.93Å; Y218-F286 HydrophobicContact CD2-CG 3.93Å; Y218-F286 HydrophobicContact CE1-CD1 4.12Å; Y218-F286 HydrophobicContact CE2-CB 4.06Å; Y218-F286 HydrophobicContact CE2-CG 4.43Å; Y218-F286 HydrophobicContact CG-CB 4.22Å; Y218-F286 AromaticContact CG-CD1 3.68Å; Y218-F286 HydrophobicContact CG-CD1 3.68Å; Y218-F286 HydrophobicContact CG-CD2 4.01Å; Y218-F286 AromaticContact CG-CE1 3.94Å; Y218-F286 HydrophobicContact CG-CE1 3.94Å; Y218-F286 HydrophobicContact CG-CE2 4.25Å; Y218-F286 AromaticContact CG-CG 3.69Å; Y218-F286 HydrophobicContact CG-CG 3.69Å; Y218-F286 HydrophobicContact CG-CZ 4.19Å; I225-F286 HydrophobicContact CD1-CD2 3.8Å; I225-F286 HydrophobicContact CG1-CD2 4.14Å; V281-F286 HydrophobicContact CG1-CB 4.15Å; S282-F286 PolarHBondContact O-N 3.27Å; Q283-F286 PolarHBondContact O-N 3.39Å; F286-Q288 PolarHBondContact O-N 3.44Å; F286-L289 VanDerWaalsContact O-CB 3.22Å; F286-L289 WeakPolarHBondContact O-CB 3.37Å; F286-L289 PolarHBondContact O-N 3.17Å; F286-H329 PolarHBondContact O-CE1 2.8Å; F286-H329 PolarHBondContact O-NE2 3.05Å
287	D	93.5	Very high	97.5	Very high	86 Å²	86	48.3 Å²	48.3	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-25.7	179.4	-63.3	-9.7	0	0	0	112.3	Q283	Q283-D287 PolarHBondContact NE2-OD1 2.83Å; Q283-D287 WeakPolarHBondContact O-CB 3.42Å; Q283-D287 PolarHBondContact O-N 2.88Å
288	Q	96.4	Very high	97.4	Very high	108 Å²	108	46.7 Å²	46.7	51%	0.505	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	0.3	174.7	-64.9	176.3	19.9	0	0	113.6	N260 E284 F286 Q290	N260-Q288 PolarHBondContact ND2-O 2.88Å; E284-Q288 VanDerWaalsContact O-CB 3.23Å; E284-Q288 WeakPolarHBondContact O-CB 3.48Å; E284-Q288 WeakPolarHBondContact O-CG 3.43Å; E284-Q288 PolarHBondContact O-N 2.91Å; E284-Q288 PolarHBondContact OE1-NE2 3.09Å; F286-Q288 PolarHBondContact O-N 3.44Å; Q288-Q290 PolarHBondContact O-N 3.33Å
289	L	98	Very high	97.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.261	C	S	.	.			trans	-71.3	113	176.1	-177.7	61.6	0	0	0	109.8	L216 I225 F259 E285 F286 T291 V327 H329	L216-L289 HydrophobicContact CD1-CD2 3.74Å; I225-L289 HydrophobicContact CD1-CD2 4Å; F259-L289 HydrophobicContact CB-CD1 3.7Å; F259-L289 HydrophobicContact CD1-CD1 3.57Å; F259-L289 HydrophobicContact CD1-CD2 4.26Å; F259-L289 HydrophobicContact CD2-CD1 4.3Å; F259-L289 HydrophobicContact CE1-CD1 4.26Å; F259-L289 HydrophobicContact CE1-CD2 4.12Å; F259-L289 HydrophobicContact CG-CD1 3.61Å; F259-L289 HydrophobicContact CZ-CD2 4.39Å; E285-L289 PolarHBondContact O-N 2.87Å; E285-L289 VanDerWaalsContact O-N 3.14Å; F286-L289 VanDerWaalsContact O-CB 3.22Å; F286-L289 WeakPolarHBondContact O-CB 3.37Å; F286-L289 PolarHBondContact O-N 3.17Å; L289-T291 VanDerWaalsContact CD1-O 3.27Å; L289-T291 WeakPolarHBondContact CD1-O 3.47Å; L289-V327 HydrophobicContact CD2-CG2 4.31Å; L289-V327 HydrophobicContact CG-CB 4.37Å; L289-V327 HydrophobicContact CG-CG1 4.44Å; L289-V327 HydrophobicContact CG-CG2 4.14Å; L289-H329 PolarHBondContact O-NE2 3.41Å
290	Q	97.3	Very high	97.1	Very high	137 Å²	137	48 Å²	48	64%	0.64	25%	0.247	S	C	*	.			trans	-112.6	-30.8	-179.6	-66.9	179.1	2.4	0	0	112.3	N260 Q288 N326 V327	N260-Q290 PolarHBondContact OD1-N 3.5Å; Q288-Q290 PolarHBondContact O-N 3.33Å; Q290-N326 CarbonylContact O-C 3.47Å; Q290-N326 WeakPolarHBondContact O-CA 3.08Å; Q290-V327 PolarHBondContact O-N 3.37Å
291	T	98.5	Very high	96.9	Very high	53 Å²	53	49 Å²	49	33%	0.325	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.9	174.9	61.9	0	0	0	0	112.9	N260 L289 F325	N260-T291 PolarHBondContact N-O 3.23Å; N260-T291 PolarHBondContact OD1-N 3.34Å; N260-T291 PolarHBondContact OD1-O 3.13Å; L289-T291 VanDerWaalsContact CD1-O 3.27Å; L289-T291 WeakPolarHBondContact CD1-O 3.47Å; T291-F325 CarbonylContact C-O 2.86Å; T291-F325 WeakPolarHBondContact CA-O 3.14Å; T291-F325 WeakPolarHBondContact CB-O 3.12Å
292	F	98.4	Very high	96.7	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.7	162.7	67	-89.1	0	0	0	112.2	I211 L216 I227 I231 L257 D258 F259 F325 V327	I211-F292 HydrophobicContact CD1-CE1 3.76Å; I211-F292 HydrophobicContact CD1-CZ 4.1Å; L216-F292 HydrophobicContact CD1-CE1 4.18Å; L216-F292 HydrophobicContact CD2-CE1 3.91Å; L216-F292 HydrophobicContact CD2-CZ 4.03Å; I227-F292 HydrophobicContact CD1-CE2 4.28Å; I227-F292 HydrophobicContact CG2-CE2 4.23Å; I227-F292 HydrophobicContact CG2-CZ 4.18Å; I231-F292 HydrophobicContact CD1-CZ 4.33Å; L257-F292 HydrophobicContact CD1-CB 4.49Å; L257-F292 HydrophobicContact CD1-CD2 3.89Å; D258-F292 WeakPolarHBondContact O-CB 3.49Å; F259-F292 HydrophobicContact CD1-CB 3.93Å; F259-F292 HydrophobicContact CE1-CB 4.39Å; F292-F325 HydrophobicContact CD1-CB 3.79Å; F292-F325 HydrophobicContact CD1-CG 4.49Å; F292-F325 HydrophobicContact CD2-CB 4.32Å; F292-F325 AromaticContact CD2-CD2 3.76Å; F292-F325 HydrophobicContact CD2-CD2 3.76Å; F292-F325 HydrophobicContact CD2-CG 4.37Å; F292-F325 HydrophobicContact CE1-CB 3.47Å; F292-F325 VanDerWaalsContact CE1-CB 3.47Å; F292-F325 HydrophobicContact CE1-CD2 4.17Å; F292-F325 AromaticContact CE1-CG 3.86Å; F292-F325 HydrophobicContact CE1-CG 3.86Å; F292-F325 HydrophobicContact CE2-CB 4.06Å; F292-F325 AromaticContact CE2-CD2 3.18Å; F292-F325 HydrophobicContact CE2-CD2 3.18Å; F292-F325 AromaticContact CE2-CE2 3.67Å; F292-F325 HydrophobicContact CE2-CE2 3.67Å; F292-F325 AromaticContact CE2-CG 3.74Å; F292-F325 HydrophobicContact CE2-CG 3.74Å; F292-F325 HydrophobicContact CG-CB 4.2Å; F292-F325 HydrophobicContact CG-CD2 4.46Å; F292-F325 HydrophobicContact CZ-CB 3.62Å; F292-F325 HydrophobicContact CZ-CD1 4.1Å; F292-F325 AromaticContact CZ-CD2 3.42Å; F292-F325 HydrophobicContact CZ-CD2 3.42Å; F292-F325 VanDerWaalsContact CZ-CD2 3.42Å; F292-F325 HydrophobicContact CZ-CE2 4.02Å; F292-F325 AromaticContact CZ-CG 3.44Å; F292-F325 HydrophobicContact CZ-CG 3.44Å; F292-F325 VanDerWaalsContact CZ-CG 3.44Å; F292-F325 PolarHBondContact N-O 3.43Å; F292-F325 PolarHBondContact O-N 2.58Å; F292-V327 HydrophobicContact CD1-CG2 3.69Å; F292-V327 HydrophobicContact CE1-CG2 3.82Å
293	E	98.3	Very high	96.3	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.103	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.9	169.1	-170.9	-177.2	120.8	0	0	110.2	Y256 L257 D258 L322 H323 Q324 K597	Y256-E293 HydrophobicContact CE1-CB 4.4Å; L257-E293 WeakPolarHBondContact CA-O 3.19Å; D258-E293 PolarHBondContact N-O 3.14Å; D258-E293 VanDerWaalsContact N-O 3.1Å; D258-E293 PolarHBondContact OD1-N 3.43Å; D258-E293 WeakPolarHBondContact OD2-CB 3.28Å; E293-L322 HydrophobicContact CG-CD2 4.21Å; E293-L322 HydrophobicContact CG-CG 4.24Å; E293-H323 WeakPolarHBondContact CA-O 3.33Å; E293-Q324 HydrophobicContact CB-CG 4.13Å; E293-Q324 HydrophobicContact CG-CG 3.88Å; E293-K597 IonicContact OE1-NZ 2.76Å; E293-K597 IonicContact OE2-NZ 2.71Å; E293-K597 PolarHBondContact OE2-NZ 2.94Å
294	Y	98.1	Very high	96.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.5	170.7	177.7	-124	0	0	0	110.4	F229 M232 F246 T255 L257 I276 A296 Y321 L322 H323	F229-Y294 HydrophobicContact CD1-CE1 4.42Å; F229-Y294 AromaticContact CE1-CE1 3.8Å; F229-Y294 HydrophobicContact CE1-CE1 3.8Å; F229-Y294 AromaticContact CE1-CZ 3.73Å; F229-Y294 WeakPolarHBondContact CE1-OH 3.44Å; F229-Y294 WeakPolarHBondContact CZ-OH 3.39Å; M232-Y294 HydrophobicContact CE-CD1 3.57Å; M232-Y294 HydrophobicContact CE-CE1 4.24Å; M232-Y294 HydrophobicContact CE-CG 4.04Å; M232-Y294 HydrophobicContact SD-CD1 3.7Å; M232-Y294 HydrophobicContact SD-CE1 4.42Å; F246-Y294 WeakPolarHBondContact CB-OH 3.44Å; F246-Y294 HydrophobicContact CD1-CE1 4.1Å; F246-Y294 HydrophobicContact CD2-CE1 4.17Å; F246-Y294 HydrophobicContact CE1-CE1 4.12Å; F246-Y294 HydrophobicContact CE2-CE1 4.16Å; F246-Y294 HydrophobicContact CG-CE1 4.13Å; F246-Y294 HydrophobicContact CZ-CE1 4.13Å; T255-Y294 HydrophobicContact CG2-CD2 4.48Å; T255-Y294 HydrophobicContact CG2-CE2 3.78Å; L257-Y294 HydrophobicContact CD1-CD2 4.3Å; I276-Y294 HydrophobicContact CD1-CD2 3.7Å; I276-Y294 HydrophobicContact CD1-CE2 3.36Å; I276-Y294 HydrophobicContact CD1-CG 4.47Å; Y294-A296 HydrophobicContact CE1-CB 4.09Å; Y294-A296 HydrophobicContact CE2-CB 3.72Å; Y294-A296 VanDerWaalsContact CZ-CB 3.41Å; Y294-A296 VanDerWaalsContact OH-CB 3.22Å; Y294-A296 WeakPolarHBondContact OH-CB 3.14Å; Y294-Y321 AromaticContact CD1-CD1 3.88Å; Y294-Y321 HydrophobicContact CD1-CD1 3.88Å; Y294-Y321 AromaticContact CD1-CE1 3.81Å; Y294-Y321 HydrophobicContact CD1-CE1 3.81Å; Y294-Y321 HydrophobicContact CE1-CD1 4.21Å; Y294-Y321 HydrophobicContact CE1-CE1 4.43Å; Y294-L322 CarbonylContact O-C 3.44Å; Y294-L322 WeakPolarHBondContact O-CA 3.38Å; Y294-H323 PolarHBondContact N-O 3.39Å; Y294-H323 PolarHBondContact O-N 2.87Å
295	N	98	Very high	96.3	Very high	29 Å²	29	49.1 Å²	49.1	16%	0.155	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119	-180	170.9	11.7	0	0	0	110.2	T255 Y256 Y321 L322	T255-N295 CarbonylContact C-O 3.48Å; Y256-N295 HydrophobicContact CD1-CB 4.34Å; Y256-N295 PolarHBondContact N-O 3.43Å; Y256-N295 PolarHBondContact O-N 3.5Å; N295-Y321 CarbonylContact C-O 3.6Å; N295-Y321 WeakPolarHBondContact CA-O 3.14Å; N295-Y321 PolarHBondContact OD1-O 2.81Å; N295-L322 HydrophobicContact CB-CB 4.13Å; N295-L322 HydrophobicContact CB-CD1 4.14Å; N295-L322 HydrophobicContact CB-CG 3.98Å
296	A	98.1	Very high	96.3	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.1	-174.2	0	0	0	0	0	114.2	T247 Q254 Y294 T320 Y321	T247-A296 HydrophobicContact CG2-CB 4.33Å; Q254-A296 WeakPolarHBondContact O-CA 3.39Å; Y294-A296 HydrophobicContact CE1-CB 4.09Å; Y294-A296 HydrophobicContact CE2-CB 3.72Å; Y294-A296 VanDerWaalsContact CZ-CB 3.41Å; Y294-A296 VanDerWaalsContact OH-CB 3.22Å; Y294-A296 WeakPolarHBondContact OH-CB 3.14Å; A296-T320 WeakPolarHBondContact O-CA 3.29Å; A296-Y321 PolarHBondContact N-O 3.5Å; A296-Y321 PolarHBondContact O-N 3.04Å
297	R	97.9	Very high	96.2	Very high	105 Å²	105	55.4 Å²	55.4	40%	0.396	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	143.6	169.8	-68.3	-144.3	177.3	78.7	14.6	112.4	T247 S253 Q254 T320	T247-R297 HydrophobicContact CG2-CB 4.11Å; T247-R297 PolarHBondContact N-O 3.45Å; S253-R297 PolarHBondContact O-NH1 3.23Å; S253-R297 PolarHBondContact O-NH2 3.03Å; Q254-R297 PolarHBondContact O-N 3.22Å; R297-T320 HydrophobicContact CG-CG2 4.34Å
298	L	97.1	Very high	96.4	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.052	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-80.5	133.1	166.7	-58.4	-178.8	0	0	0	109.9	M236 P244 F246 N300 G319	M236-L298 HydrophobicContact CB-CD1 3.77Å; M236-L298 HydrophobicContact CE-CD1 3.61Å; M236-L298 HydrophobicContact SD-CD1 4.19Å; P244-L298 HydrophobicContact CB-CB 4.18Å; F246-L298 HydrophobicContact CD1-CD2 3.71Å; F246-L298 HydrophobicContact CE1-CD2 3.72Å; L298-N300 VanDerWaalsContact C-N 3.29Å; L298-N300 PolarHBondContact O-N 3.43Å; L298-N300 VanDerWaalsContact O-N 3.11Å; L298-G319 PolarHBondContact N-O 2.9Å
299	N	95.6	Very high	96.3	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	31%	0.309	S	S	.	.			trans	-88.2	65.3	179.5	-176.9	17.7	0	0	0	110.6	P245 F246	P245-N299 HydrophobicContact CG-CB 4.21Å; P245-N299 PolarHBondContact O-N 3.24Å; F246-N299 WeakPolarHBondContact O-CB 3.37Å
300	N	94.9	Very high	96.3	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.324	C	S	.	.			trans	-128.3	66.7	173.9	70.5	-24.6	0	0	0	113	M236 P244 L298 Y305 I316 S317 S318	M236-N300 WeakPolarHBondContact CE-ND2 3.26Å; P244-N300 HydrophobicContact CB-CB 3.92Å; P244-N300 HydrophobicContact CG-CB 3.86Å; L298-N300 VanDerWaalsContact C-N 3.29Å; L298-N300 PolarHBondContact O-N 3.43Å; L298-N300 VanDerWaalsContact O-N 3.11Å; N300-Y305 HydrophobicContact CB-CD1 3.97Å; N300-Y305 HydrophobicContact CB-CE1 4.33Å; N300-Y305 WeakPolarHBondContact O-CE1 3.29Å; N300-I316 PolarHBondContact ND2-O 2.56Å; N300-S317 WeakPolarHBondContact O-CA 3.45Å; N300-S317 WeakPolarHBondContact O-CB 3.39Å; N300-S318 PolarHBondContact OD1-N 3.12Å; N300-S318 VanDerWaalsContact OD1-N 3.15Å
301	P	94.3	Very high	96.3	Very high	66 Å²	66	54.3 Å²	54.3	43%	0.429	30%	0.296	S	S	.	.			trans	-59.3	153.8	170.6	25.2	-31.2	0	0	0	111.3	G303 T304 Y305	P301-G303 PolarHBondContact O-N 3.32Å; P301-T304 HydrophobicContact CG-CG2 3.78Å; P301-T304 PolarHBondContact O-N 3.36Å; P301-T304 PolarHBondContact O-OG1 3.22Å; P301-T304 VanDerWaalsContact O-OG1 3.05Å; P301-Y305 WeakPolarHBondContact O-CE1 3.36Å
302	S	92.4	Very high	96.3	Very high	94 Å²	94	57.2 Å²	57.2	66%	0.657	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	128.3	-176.6	-167.7	0	0	0	0	111.6
303	G	90.9	Very high	96.2	Very high	69 Å²	69	61.8 Å²	61.8	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-1.6	-178.3	0	0	0	0	0	116.5	P301	P301-G303 PolarHBondContact O-N 3.32Å
304	T	94.3	Very high	96.2	Very high	81 Å²	81	61.3 Å²	61.3	50%	0.497	33%	0.331	S	S	.	.	S	Bend	trans	-91.9	-9.6	172.7	64	0	0	0	0	114.6	P301	P301-T304 HydrophobicContact CG-CG2 3.78Å; P301-T304 PolarHBondContact O-N 3.36Å; P301-T304 PolarHBondContact O-OG1 3.22Å; P301-T304 VanDerWaalsContact O-OG1 3.05Å
305	Y	95.6	Very high	96.1	Very high	19 Å²	19	61.7 Å²	61.7	8%	0.075	33%	0.334	C	S	.	.	S	Bend	trans	-115.9	151.9	177.3	51.7	-87.4	0	0	0	110.3	N300 P301 Y314 A315 I316 S317	N300-Y305 HydrophobicContact CB-CD1 3.97Å; N300-Y305 HydrophobicContact CB-CE1 4.33Å; N300-Y305 WeakPolarHBondContact O-CE1 3.29Å; P301-Y305 WeakPolarHBondContact O-CE1 3.36Å; Y305-Y314 HydrophobicContact CD2-CD1 4.35Å; Y305-Y314 HydrophobicContact CD2-CE1 4.05Å; Y305-Y314 AromaticContact CE2-CD1 3.93Å; Y305-Y314 HydrophobicContact CE2-CD1 3.93Å; Y305-Y314 AromaticContact CE2-CE1 3.93Å; Y305-Y314 HydrophobicContact CE2-CE1 3.93Å; Y305-A315 WeakPolarHBondContact OH-CA 3.18Å; Y305-I316 HydrophobicContact CD2-CD1 4.02Å; Y305-I316 HydrophobicContact CD2-CG1 3.63Å; Y305-I316 HydrophobicContact CE1-CG1 4.3Å; Y305-I316 HydrophobicContact CE2-CD1 4.27Å; Y305-I316 HydrophobicContact CE2-CG1 3.37Å; Y305-I316 HydrophobicContact CG-CD1 4.35Å; Y305-I316 HydrophobicContact CG-CG1 4.2Å; Y305-I316 PolarHBondContact OH-N 3Å; Y305-S317 WeakPolarHBondContact OH-CB 3.17Å; Y305-S317 PolarHBondContact OH-N 2.84Å
306	N	97	Very high	96.1	Very high	98 Å²	98	60.3 Å²	60.3	52%	0.524	33%	0.327	S	S	.	.			trans	-66	149.9	176.7	-62.9	-48.5	0	0	0	111.1	N238 Y239 D240	N238-N306 PolarHBondContact ND2-O 3.13Å; Y239-N306 HydrophobicContact CE1-CB 4.03Å; Y239-N306 WeakPolarHBondContact CE1-O 3.21Å; D240-N306 WeakPolarHBondContact OD2-CB 3.32Å; D240-N306 PolarHBondContact OD2-ND2 2.68Å
307	Q	96.2	Very high	96	Very high	111 Å²	111	60.8 Å²	60.8	52%	0.519	33%	0.331	S	S	.	.			trans	-118.4	146.9	165.8	64.9	178.2	11.3	0	0	109.5	Y239 Y314	Y239-Q307 PolarHBondContact OH-O 2.99Å; Q307-Y314 HydrophobicContact CB-CD1 3.54Å; Q307-Y314 HydrophobicContact CB-CE1 4.36Å; Q307-Y314 HydrophobicContact CB-CG 3.81Å
308	P	96.2	Very high	95.9	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.045	34%	0.337	C	S	.	.			trans	-72.3	134.3	176.9	-5.6	20.9	0	0	0	110.2	I186 Y239 R310 F311 Y314	I186-P308 HydrophobicContact CD1-CG 4Å; Y239-P308 HydrophobicContact CD1-CG 3.66Å; Y239-P308 HydrophobicContact CD2-CB 4.33Å; Y239-P308 HydrophobicContact CD2-CG 3.84Å; Y239-P308 HydrophobicContact CE1-CB 4.42Å; Y239-P308 HydrophobicContact CE1-CG 3.71Å; Y239-P308 HydrophobicContact CE2-CB 4.02Å; Y239-P308 HydrophobicContact CE2-CG 3.9Å; Y239-P308 HydrophobicContact CG-CG 3.73Å; P308-R310 PolarHBondContact O-N 2.93Å; P308-F311 HydrophobicContact CB-CD2 3.69Å; P308-F311 HydrophobicContact CB-CE2 3.9Å; P308-F311 HydrophobicContact CG-CD2 3.58Å; P308-F311 HydrophobicContact CG-CE2 3.57Å; P308-F311 PolarHBondContact O-N 2.88Å; P308-Y314 HydrophobicContact CG-CE2 4.34Å
309	E	95.9	Very high	95.8	Very high	202 Å²	202	58.9 Å²	58.9	94%	0.944	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.1	-170.4	-60.7	-177.6	154.1	0	0	115.6	F311	E309-F311 VanDerWaalsContact C-N 3.3Å; E309-F311 PolarHBondContact O-N 2.91Å
310	R	96.9	Very high	95.9	Very high	87 Å²	87	57.2 Å²	57.2	33%	0.328	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.9	-179.8	72.8	-177.5	-171.2	-90.9	6.6	114.8	I186 M189 L192 T193 P308	I186-R310 PolarHBondContact O-NH2 3.47Å; M189-R310 PolarHBondContact O-NH2 3.23Å; L192-R310 PolarHBondContact O-NE 2.98Å; L192-R310 VanDerWaalsContact O-NE 3.1Å; T193-R310 WeakPolarHBondContact CG2-O 3.48Å; P308-R310 PolarHBondContact O-N 2.93Å
311	F	97.8	Very high	96.1	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.057	33%	0.326	C	S	.	.			trans	-85	129	-176	-78.4	-105.5	0	0	0	111.8	I186 L192 T193 L195 P308 E309 F313 Y314	I186-F311 HydrophobicContact CD1-CE2 4.2Å; I186-F311 HydrophobicContact CD1-CZ 3.92Å; L192-F311 HydrophobicContact CB-CE1 4.49Å; L192-F311 HydrophobicContact CB-CZ 4.13Å; L192-F311 HydrophobicContact CD2-CE1 4.06Å; L192-F311 HydrophobicContact CD2-CZ 3.94Å; L192-F311 HydrophobicContact CG-CE1 3.88Å; L192-F311 HydrophobicContact CG-CZ 3.92Å; L192-F311 WeakPolarHBondContact O-CE2 3.38Å; L192-F311 VanDerWaalsContact O-CZ 3.3Å; L192-F311 WeakPolarHBondContact O-CZ 3.4Å; T193-F311 CarbonylContact O-C 3.57Å; T193-F311 WeakPolarHBondContact O-CA 3.22Å; T193-F311 WeakPolarHBondContact O-CB 3.36Å; T193-F311 WeakPolarHBondContact O-CD1 3.31Å; L195-F311 HydrophobicContact CB-CD1 4.26Å; L195-F311 HydrophobicContact CB-CE1 3.8Å; P308-F311 HydrophobicContact CB-CD2 3.69Å; P308-F311 HydrophobicContact CB-CE2 3.9Å; P308-F311 HydrophobicContact CG-CD2 3.58Å; P308-F311 HydrophobicContact CG-CE2 3.57Å; P308-F311 PolarHBondContact O-N 2.88Å; E309-F311 VanDerWaalsContact C-N 3.3Å; E309-F311 PolarHBondContact O-N 2.91Å; F311-F313 WeakPolarHBondContact CD1-O 3.45Å; F311-Y314 AromaticContact CD1-CD2 3.82Å; F311-Y314 HydrophobicContact CD1-CD2 3.82Å; F311-Y314 HydrophobicContact CE1-CD2 4.09Å; F311-Y314 HydrophobicContact CG-CD2 4.06Å
312	T	97.5	Very high	96.2	Very high	114 Å²	114	54.5 Å²	54.5	70%	0.699	31%	0.308	S	S	*	.	S	Bend	trans	-84.4	-20.4	168.9	54.8	0	0	0	0	111.9	T193 Q194	T193-T312 PolarHBondContact O-N 3.4Å; T193-T312 PolarHBondContact O-OG1 3.35Å; Q194-T312 WeakPolarHBondContact CG-OG1 3.41Å
313	F	97.5	Very high	96.5	Very high	98 Å²	98	50.1 Å²	50.1	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	124.2	170.7	-174.9	-89.1	0	0	0	110.7	T193 Q194 L195 A196 F311 A315	T193-F313 PolarHBondContact O-N 2.9Å; Q194-F313 WeakPolarHBondContact CA-O 3.23Å; Q194-F313 HydrophobicContact CG-CB 4.32Å; L195-F313 PolarHBondContact N-O 3.13Å; L195-F313 WeakPolarHBondContact O-CD1 3.45Å; A196-F313 HydrophobicContact CB-CD1 4.3Å; A196-F313 HydrophobicContact CB-CE1 3.73Å; F311-F313 WeakPolarHBondContact CD1-O 3.45Å; F313-A315 HydrophobicContact CE1-CB 3.88Å; F313-A315 HydrophobicContact CZ-CB 3.99Å
314	Y	97.6	Very high	96.8	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.043	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	120.4	177.3	-169.6	-99.2	0	0	0	110.1	I186 L195 N238 Y305 Q307 P308 F311 I316	I186-Y314 HydrophobicContact CD1-CE2 3.59Å; L195-Y314 HydrophobicContact CB-CD2 3.99Å; L195-Y314 HydrophobicContact CB-CE2 4.29Å; L195-Y314 HydrophobicContact CD2-CD2 4.05Å; L195-Y314 HydrophobicContact CD2-CE2 3.52Å; L195-Y314 HydrophobicContact CG-CE2 4.49Å; L195-Y314 WeakPolarHBondContact O-CA 3.26Å; N238-Y314 PolarHBondContact OD1-OH 3.1Å; Y305-Y314 HydrophobicContact CD2-CD1 4.35Å; Y305-Y314 HydrophobicContact CD2-CE1 4.05Å; Y305-Y314 AromaticContact CE2-CD1 3.93Å; Y305-Y314 HydrophobicContact CE2-CD1 3.93Å; Y305-Y314 AromaticContact CE2-CE1 3.93Å; Y305-Y314 HydrophobicContact CE2-CE1 3.93Å; Q307-Y314 HydrophobicContact CB-CD1 3.54Å; Q307-Y314 HydrophobicContact CB-CE1 4.36Å; Q307-Y314 HydrophobicContact CB-CG 3.81Å; P308-Y314 HydrophobicContact CG-CE2 4.34Å; F311-Y314 AromaticContact CD1-CD2 3.82Å; F311-Y314 HydrophobicContact CD1-CD2 3.82Å; F311-Y314 HydrophobicContact CE1-CD2 4.09Å; F311-Y314 HydrophobicContact CG-CD2 4.06Å; Y314-I316 HydrophobicContact CE1-CG1 4.24Å; Y314-I316 HydrophobicContact CE1-CG2 4.31Å
315	A	97.5	Very high	97	Very high	8 Å²	8	47.3 Å²	47.3	7%	0.066	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	115.8	177.5	0	0	0	0	0	112	L195 A197 F198 Y305 F313	L195-A315 PolarHBondContact O-N 2.98Å; A197-A315 CarbonylContact C-O 3.44Å; A197-A315 VanDerWaalsContact CA-O 3.24Å; A197-A315 WeakPolarHBondContact CA-O 3.48Å; A197-A315 WeakPolarHBondContact CB-O 3.16Å; A197-A315 PolarHBondContact N-O 2.79Å; F198-A315 PolarHBondContact N-O 2.89Å; Y305-A315 WeakPolarHBondContact OH-CA 3.18Å; F313-A315 HydrophobicContact CE1-CB 3.88Å; F313-A315 HydrophobicContact CZ-CB 3.99Å
316	I	96.8	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.			trans	-118.7	15.9	171.9	59	156.7	0	0	0	112	F183 L195 A197 M236 N238 N300 Y305 Y314	F183-I316 HydrophobicContact CD1-CG2 4.28Å; F183-I316 HydrophobicContact CD2-CG2 3.98Å; F183-I316 HydrophobicContact CE1-CG2 4.29Å; F183-I316 HydrophobicContact CE2-CG2 3.99Å; F183-I316 HydrophobicContact CG-CG2 4.12Å; F183-I316 HydrophobicContact CZ-CG2 4.15Å; L195-I316 HydrophobicContact CD2-CG2 4.15Å; A197-I316 HydrophobicContact CB-CG2 4.03Å; M236-I316 HydrophobicContact CE-CB 4.47Å; M236-I316 HydrophobicContact CE-CD1 4.38Å; M236-I316 WeakPolarHBondContact CE-O 3.29Å; N238-I316 HydrophobicContact CB-CD1 3.87Å; N238-I316 VanDerWaalsContact OD1-CD1 3.22Å; N238-I316 WeakPolarHBondContact OD1-CD1 3.34Å; N300-I316 PolarHBondContact ND2-O 2.56Å; Y305-I316 HydrophobicContact CD2-CD1 4.02Å; Y305-I316 HydrophobicContact CD2-CG1 3.63Å; Y305-I316 HydrophobicContact CE1-CG1 4.3Å; Y305-I316 HydrophobicContact CE2-CD1 4.27Å; Y305-I316 HydrophobicContact CE2-CG1 3.37Å; Y305-I316 HydrophobicContact CG-CD1 4.35Å; Y305-I316 HydrophobicContact CG-CG1 4.2Å; Y305-I316 PolarHBondContact OH-N 3Å; Y314-I316 HydrophobicContact CE1-CG1 4.24Å; Y314-I316 HydrophobicContact CE1-CG2 4.31Å
317	S	97.1	Very high	97.1	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	23%	0.226	C	C	.	.			trans	-73.7	164.5	-171.1	50.6	0	0	0	0	114.6	F198 G199 N300 Y305 G319	F198-S317 CarbonylContact C-O 3.15Å; F198-S317 VanDerWaalsContact CA-O 3.24Å; F198-S317 WeakPolarHBondContact CA-O 3.45Å; F198-S317 WeakPolarHBondContact CB-O 3.37Å; G199-S317 PolarHBondContact N-O 2.95Å; N300-S317 WeakPolarHBondContact O-CA 3.45Å; N300-S317 WeakPolarHBondContact O-CB 3.39Å; Y305-S317 WeakPolarHBondContact OH-CB 3.17Å; Y305-S317 PolarHBondContact OH-N 2.84Å; S317-G319 VanDerWaalsContact C-N 3.31Å; S317-G319 PolarHBondContact O-N 3.1Å
318	S	94.8	Very high	96.9	Very high	75 Å²	75	43.3 Å²	43.3	52%	0.524	22%	0.221	S	C	.	.	S	Bend	trans	66.2	27.6	165.3	-44.5	0	0	0	0	114.7	N300	N300-S318 PolarHBondContact OD1-N 3.12Å; N300-S318 VanDerWaalsContact OD1-N 3.15Å
319	G	95.9	Very high	96.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.			trans	-73.3	167.3	176.5	0	0	0	0	0	113.8	Q200 L298 S317	Q200-G319 CarbonylContact O-C 3.55Å; Q200-G319 WeakPolarHBondContact O-CA 3.27Å; L298-G319 PolarHBondContact N-O 2.9Å; S317-G319 VanDerWaalsContact C-N 3.31Å; S317-G319 PolarHBondContact O-N 3.1Å
320	T	97.6	Very high	95.9	Very high	34 Å²	34	39.9 Å²	39.9	21%	0.209	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.9	167.9	55.7	0	0	0	0	110.7	Q200 N201 T202 A296 R297	Q200-T320 PolarHBondContact O-N 2.84Å; N201-T320 PolarHBondContact OD1-OG1 2.98Å; N201-T320 VanDerWaalsContact OD1-OG1 3.08Å; T202-T320 PolarHBondContact N-O 3.24Å; T202-T320 PolarHBondContact OG1-O 3.17Å; T202-T320 VanDerWaalsContact OG1-O 3.06Å; A296-T320 WeakPolarHBondContact O-CA 3.29Å; R297-T320 HydrophobicContact CG-CG2 4.34Å
321	Y	97.9	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.9	169.2	175	-90.3	0	0	0	107.4	T202 M232 P233 R235 F246 Y294 N295 A296 H323	T202-Y321 CarbonylContact O-C 3.48Å; T202-Y321 WeakPolarHBondContact O-CA 3.46Å; M232-Y321 WeakPolarHBondContact CA-OH 3.29Å; M232-Y321 WeakPolarHBondContact CB-OH 3.22Å; M232-Y321 HydrophobicContact SD-CE1 3.73Å; M232-Y321 PolarHBondContact SD-OH 3.14Å; P233-Y321 WeakPolarHBondContact CD-OH 3.44Å; P233-Y321 WeakPolarHBondContact O-CE2 3.42Å; R235-Y321 HydrophobicContact CG-CD2 4.29Å; R235-Y321 HydrophobicContact CG-CE2 3.96Å; F246-Y321 AromaticContact CE1-CD1 3.82Å; F246-Y321 HydrophobicContact CE1-CD1 3.82Å; F246-Y321 HydrophobicContact CE1-CD2 4.13Å; F246-Y321 HydrophobicContact CE1-CE1 4.49Å; F246-Y321 AromaticContact CE1-CG 3.6Å; F246-Y321 HydrophobicContact CE1-CG 3.6Å; F246-Y321 HydrophobicContact CZ-CD1 4.06Å; F246-Y321 HydrophobicContact CZ-CD2 4.3Å; F246-Y321 HydrophobicContact CZ-CE1 4.29Å; F246-Y321 HydrophobicContact CZ-CE2 4.49Å; F246-Y321 HydrophobicContact CZ-CG 4.05Å; Y294-Y321 AromaticContact CD1-CD1 3.88Å; Y294-Y321 HydrophobicContact CD1-CD1 3.88Å; Y294-Y321 AromaticContact CD1-CE1 3.81Å; Y294-Y321 HydrophobicContact CD1-CE1 3.81Å; Y294-Y321 HydrophobicContact CE1-CD1 4.21Å; Y294-Y321 HydrophobicContact CE1-CE1 4.43Å; N295-Y321 CarbonylContact C-O 3.6Å; N295-Y321 WeakPolarHBondContact CA-O 3.14Å; N295-Y321 PolarHBondContact OD1-O 2.81Å; A296-Y321 PolarHBondContact N-O 3.5Å; A296-Y321 PolarHBondContact O-N 3.04Å; Y321-H323 HydrophobicContact CD1-CB 4.46Å; Y321-H323 HydrophobicContact CE1-CB 3.5Å; Y321-H323 VanDerWaalsContact CE1-CB 3.5Å; Y321-H323 HydrophobicContact CE2-CB 4.31Å; Y321-H323 VanDerWaalsContact CZ-CB 3.43Å; Y321-H323 VanDerWaalsContact OH-CB 3.22Å; Y321-H323 WeakPolarHBondContact OH-CB 3.19Å
322	L	97.5	Very high	94.4	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126	167.1	-178.9	158.1	0	0	0	106.9	T202 G203 R204 E293 Y294 N295	T202-L322 PolarHBondContact O-N 2.82Å; G203-L322 CarbonylContact C-O 3.55Å; G203-L322 WeakPolarHBondContact CA-O 3.43Å; R204-L322 WeakPolarHBondContact CA-O 3.26Å; R204-L322 HydrophobicContact CB-CB 4.29Å; R204-L322 PolarHBondContact N-O 3.27Å; E293-L322 HydrophobicContact CG-CD2 4.21Å; E293-L322 HydrophobicContact CG-CG 4.24Å; Y294-L322 CarbonylContact O-C 3.44Å; Y294-L322 WeakPolarHBondContact O-CA 3.38Å; N295-L322 HydrophobicContact CB-CB 4.13Å; N295-L322 HydrophobicContact CB-CD1 4.14Å; N295-L322 HydrophobicContact CB-CG 3.98Å
323	H	98.1	Very high	93.9	Very high	2 Å²	2	38 Å²	38	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.3	172.9	-160.6	64.4	0	0	0	111.9	P207 T209 P233 E293 Y294 Y321 F325	P207-H323 PolarHBondContact O-CE1 3.43Å; P207-H323 VanDerWaalsContact O-CE1 3.25Å; T209-H323 PolarHBondContact OG1-NE2 3.29Å; P233-H323 WeakPolarHBondContact CG-NE2 3.37Å; E293-H323 WeakPolarHBondContact CA-O 3.33Å; Y294-H323 PolarHBondContact N-O 3.39Å; Y294-H323 PolarHBondContact O-N 2.87Å; Y321-H323 HydrophobicContact CD1-CB 4.46Å; Y321-H323 HydrophobicContact CE1-CB 3.5Å; Y321-H323 VanDerWaalsContact CE1-CB 3.5Å; Y321-H323 HydrophobicContact CE2-CB 4.31Å; Y321-H323 VanDerWaalsContact CZ-CB 3.43Å; Y321-H323 VanDerWaalsContact OH-CB 3.22Å; Y321-H323 WeakPolarHBondContact OH-CB 3.19Å; H323-F325 HydrophobicContact CB-CE2 4.33Å; H323-F325 AromaticContact CD2-CE2 3.69Å; H323-F325 AromaticContact CD2-CZ 3.68Å
324	Q	98.3	Very high	93.7	Very high	91 Å²	91	36.7 Å²	36.7	43%	0.425	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144	179.4	-72.1	169.6	77.1	0	0	110.2	A208 T209 E293	A208-Q324 CarbonylContact C-O 3.51Å; A208-Q324 WeakPolarHBondContact CA-O 3.5Å; A208-Q324 HydrophobicContact CB-CB 3.82Å; T209-Q324 PolarHBondContact N-O 3.2Å; E293-Q324 HydrophobicContact CB-CG 4.13Å; E293-Q324 HydrophobicContact CG-CG 3.88Å
325	F	98.4	Very high	93.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.9	177.6	-66.6	-93.1	0	0	0	110.4	T209 I211 I231 M232 T291 F292 H323	T209-F325 HydrophobicContact CG2-CD1 4.34Å; T209-F325 HydrophobicContact CG2-CE1 4.35Å; T209-F325 VanDerWaalsContact O-CA 3.28Å; T209-F325 WeakPolarHBondContact O-CA 3.36Å; I211-F325 HydrophobicContact CD1-CD1 4.46Å; I211-F325 HydrophobicContact CG2-CD1 3.85Å; I211-F325 HydrophobicContact CG2-CE1 4.27Å; I231-F325 HydrophobicContact CD1-CE1 4.38Å; I231-F325 HydrophobicContact CG1-CE1 4.16Å; I231-F325 HydrophobicContact CG1-CZ 4.23Å; I231-F325 WeakPolarHBondContact O-CE1 3.3Å; M232-F325 HydrophobicContact CE-CE2 4.04Å; M232-F325 HydrophobicContact CE-CZ 4.25Å; M232-F325 HydrophobicContact SD-CE2 3.61Å; M232-F325 HydrophobicContact SD-CZ 3.58Å; M232-F325 VanDerWaalsContact SD-CZ 3.58Å; T291-F325 CarbonylContact C-O 2.86Å; T291-F325 WeakPolarHBondContact CA-O 3.14Å; T291-F325 WeakPolarHBondContact CB-O 3.12Å; F292-F325 HydrophobicContact CD1-CB 3.79Å; F292-F325 HydrophobicContact CD1-CG 4.49Å; F292-F325 HydrophobicContact CD2-CB 4.32Å; F292-F325 AromaticContact CD2-CD2 3.76Å; F292-F325 HydrophobicContact CD2-CD2 3.76Å; F292-F325 HydrophobicContact CD2-CG 4.37Å; F292-F325 HydrophobicContact CE1-CB 3.47Å; F292-F325 VanDerWaalsContact CE1-CB 3.47Å; F292-F325 HydrophobicContact CE1-CD2 4.17Å; F292-F325 AromaticContact CE1-CG 3.86Å; F292-F325 HydrophobicContact CE1-CG 3.86Å; F292-F325 HydrophobicContact CE2-CB 4.06Å; F292-F325 AromaticContact CE2-CD2 3.18Å; F292-F325 HydrophobicContact CE2-CD2 3.18Å; F292-F325 AromaticContact CE2-CE2 3.67Å; F292-F325 HydrophobicContact CE2-CE2 3.67Å; F292-F325 AromaticContact CE2-CG 3.74Å; F292-F325 HydrophobicContact CE2-CG 3.74Å; F292-F325 HydrophobicContact CG-CB 4.2Å; F292-F325 HydrophobicContact CG-CD2 4.46Å; F292-F325 HydrophobicContact CZ-CB 3.62Å; F292-F325 HydrophobicContact CZ-CD1 4.1Å; F292-F325 AromaticContact CZ-CD2 3.42Å; F292-F325 HydrophobicContact CZ-CD2 3.42Å; F292-F325 VanDerWaalsContact CZ-CD2 3.42Å; F292-F325 HydrophobicContact CZ-CE2 4.02Å; F292-F325 AromaticContact CZ-CG 3.44Å; F292-F325 HydrophobicContact CZ-CG 3.44Å; F292-F325 VanDerWaalsContact CZ-CG 3.44Å; F292-F325 PolarHBondContact N-O 3.43Å; F292-F325 PolarHBondContact O-N 2.58Å; H323-F325 HydrophobicContact CB-CE2 4.33Å; H323-F325 AromaticContact CD2-CE2 3.69Å; H323-F325 AromaticContact CD2-CZ 3.68Å
326	N	98.1	Very high	93.7	Very high	49 Å²	49	35.9 Å²	35.9	26%	0.262	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.2	165.3	-50.2	-40	0	0	0	107.9	T209 D210 I211 Q290	T209-N326 PolarHBondContact O-N 3.33Å; D210-N326 VanDerWaalsContact OD1-CB 3.29Å; D210-N326 WeakPolarHBondContact OD1-CB 3.47Å; D210-N326 PolarHBondContact OD1-ND2 2.69Å; I211-N326 PolarHBondContact N-O 2.98Å; Q290-N326 CarbonylContact O-C 3.47Å; Q290-N326 WeakPolarHBondContact O-CA 3.08Å
327	V	96.7	Very high	93.7	Very high	5 Å²	5	37 Å²	37	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.8	-174.6	-178.1	0	0	0	0	109.2	I211 A213 L216 L289 Q290 F292	I211-V327 HydrophobicContact CD1-CG2 4.4Å; I211-V327 HydrophobicContact CG1-CG2 4.27Å; A213-V327 HydrophobicContact CB-CG1 3.82Å; L216-V327 HydrophobicContact CD1-CG1 4.03Å; L216-V327 HydrophobicContact CD1-CG2 4.07Å; L289-V327 HydrophobicContact CD2-CG2 4.31Å; L289-V327 HydrophobicContact CG-CB 4.37Å; L289-V327 HydrophobicContact CG-CG1 4.44Å; L289-V327 HydrophobicContact CG-CG2 4.14Å; Q290-V327 PolarHBondContact O-N 3.37Å; F292-V327 HydrophobicContact CD1-CG2 3.69Å; F292-V327 HydrophobicContact CE1-CG2 3.82Å
328	Q	91.7	Very high	93.8	Very high	89 Å²	89	36.4 Å²	36.4	42%	0.416	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.4	178.8	-55.8	-59.9	-18	0	0	110.5	I211 N212 A213	I211-Q328 PolarHBondContact O-N 2.89Å; N212-Q328 CarbonylContact C-O 3.58Å; N212-Q328 WeakPolarHBondContact CA-O 3.49Å; N212-Q328 PolarHBondContact ND2-O 3.37Å; N212-Q328 VanDerWaalsContact ND2-O 3.13Å; A213-Q328 PolarHBondContact N-O 2.8Å
329	H	88.1	Confident	93.9	Very high	73 Å²	73	36.5 Å²	36.5	34%	0.338	20%	0.202	S	C	.	.			trans	-87.8	-8.8	174.4	-71.1	-84.5	0	0	0	113.1	A213 F286 L289 I331	A213-H329 WeakPolarHBondContact CB-CE1 3.42Å; A213-H329 VanDerWaalsContact CB-ND1 3.27Å; A213-H329 WeakPolarHBondContact CB-ND1 3.29Å; F286-H329 PolarHBondContact O-CE1 2.8Å; F286-H329 PolarHBondContact O-NE2 3.05Å; L289-H329 PolarHBondContact O-NE2 3.41Å; H329-I331 PolarHBondContact O-N 3.12Å
330	T	83.4	Confident	94	Very high	65 Å²	65	36.5 Å²	36.5	40%	0.399	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-74.5	121.6	174.8	50.1	0	0	0	0	111	N212 N357	N212-T330 PolarHBondContact ND2-O 3.02Å; T330-N357 HydrophobicContact CG2-CB 4.46Å; T330-N357 PolarHBondContact OG1-OD1 2.82Å
331	I	78.7	Confident	93.9	Very high	88 Å²	88	35.4 Å²	35.4	45%	0.451	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-78.8	130.3	174.4	-60.8	174	0	0	0	108.2	H329 S333 N357 V358	H329-I331 PolarHBondContact O-N 3.12Å; I331-S333 PolarHBondContact O-N 2.91Å; I331-N357 CarbonylContact O-C 3.59Å; I331-N357 VanDerWaalsContact O-CA 3.29Å; I331-N357 WeakPolarHBondContact O-CA 3.45Å; I331-V358 HydrophobicContact CB-CB 4.31Å; I331-V358 HydrophobicContact CB-CG2 3.9Å; I331-V358 HydrophobicContact CG2-CG2 3.95Å; I331-V358 WeakPolarHBondContact O-CG2 3.34Å; I331-V358 PolarHBondContact O-N 3.45Å
332	A	82.9	Confident	93.7	Very high	71 Å²	71	36.6 Å²	36.6	59%	0.587	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64	129.6	171.4	0	0	0	0	0	110.6
333	S	88.5	Confident	93.4	Very high	15 Å²	15	39.1 Å²	39.1	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	145.7	177.2	178.6	0	0	0	0	110.7	I331 G335 G356 T392	I331-S333 PolarHBondContact O-N 2.91Å; S333-G335 PolarHBondContact O-N 2.87Å; S333-G335 PolarHBondContact OG-N 3.47Å; S333-G356 WeakPolarHBondContact CB-O 3.34Å; S333-G356 PolarHBondContact N-O 2.87Å; S333-T392 WeakPolarHBondContact CB-O 3.22Å; S333-T392 PolarHBondContact OG-O 2.84Å
334	P	93.1	Very high	93	Very high	70 Å²	70	46.4 Å²	46.4	46%	0.455	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-6.4	164	31.3	-37.8	0	0	0	113.5	A393 L395	P334-A393 WeakPolarHBondContact CD-O 3.35Å; P334-A393 WeakPolarHBondContact CG-O 3.5Å; P334-L395 HydrophobicContact CB-CB 4.24Å; P334-L395 HydrophobicContact CB-CD1 4.36Å; P334-L395 HydrophobicContact CG-CB 4.25Å; P334-L395 WeakPolarHBondContact O-CD1 3.28Å
335	G	95.4	Very high	92.7	Very high	2 Å²	2	44 Å²	44	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.5	-171.7	168.7	0	0	0	0	0	115.6	S333 I354 Q396	S333-G335 PolarHBondContact O-N 2.87Å; S333-G335 PolarHBondContact OG-N 3.47Å; G335-I354 CarbonylContact C-O 3.55Å; G335-I354 WeakPolarHBondContact CA-O 3.4Å; G335-Q396 PolarHBondContact O-N 2.84Å
336	V	98	Very high	92.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.8	172.8	171	0	0	0	0	108.9	I338 T353 I354 Y362 L391 Q396 V398	V336-I338 HydrophobicContact CG1-CD1 4.12Å; V336-I338 HydrophobicContact CG1-CG1 4.28Å; V336-T353 CarbonylContact O-C 3.48Å; V336-T353 VanDerWaalsContact O-CA 3.3Å; V336-T353 WeakPolarHBondContact O-CA 3.21Å; V336-I354 HydrophobicContact CB-CB 4.36Å; V336-I354 PolarHBondContact N-O 2.94Å; V336-I354 PolarHBondContact O-N 3.27Å; V336-Y362 HydrophobicContact CG1-CE2 4.46Å; V336-Y362 HydrophobicContact CG2-CD1 3.83Å; V336-Y362 HydrophobicContact CG2-CD2 4.18Å; V336-Y362 HydrophobicContact CG2-CE1 3.51Å; V336-Y362 HydrophobicContact CG2-CE2 3.91Å; V336-Y362 HydrophobicContact CG2-CG 4.13Å; V336-L391 HydrophobicContact CB-CD2 4.41Å; V336-L391 HydrophobicContact CG2-CD2 3.57Å; V336-Q396 HydrophobicContact CB-CB 4.44Å; V336-Q396 HydrophobicContact CG2-CB 3.7Å; V336-V398 HydrophobicContact CG1-CB 4.29Å; V336-V398 HydrophobicContact CG1-CG2 3.72Å
337	T	97.9	Very high	92.3	Very high	24 Å²	24	52 Å²	52	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.9	164.6	-52.7	0	0	0	0	110.1	K339 P351 Q396 T397 V398	T337-K339 HydrophobicContact CG2-CG 4.16Å; T337-P351 HydrophobicContact CG2-CB 3.91Å; T337-Q396 PolarHBondContact N-O 3.15Å; T337-T397 CarbonylContact O-C 3.53Å; T337-T397 VanDerWaalsContact O-CA 3.26Å; T337-T397 WeakPolarHBondContact O-CA 3.36Å; T337-V398 PolarHBondContact O-N 2.99Å
338	I	98.2	Very high	92.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.2	171.5	-54.5	84.7	0	0	0	108.4	V336 Y340 P351 Q352 I354 T364 Y369 V398 Y400	V336-I338 HydrophobicContact CG1-CD1 4.12Å; V336-I338 HydrophobicContact CG1-CG1 4.28Å; I338-Y340 HydrophobicContact CG2-CE1 3.87Å; I338-Y340 HydrophobicContact CG2-CE2 4.34Å; I338-Y340 WeakPolarHBondContact CG2-OH 3.43Å; I338-P351 CarbonylContact O-C 3.6Å; I338-P351 WeakPolarHBondContact O-CA 3.24Å; I338-P351 WeakPolarHBondContact O-CB 3.15Å; I338-Q352 HydrophobicContact CB-CB 4.31Å; I338-Q352 HydrophobicContact CD1-CB 4.25Å; I338-Q352 PolarHBondContact N-O 3.11Å; I338-Q352 PolarHBondContact O-N 2.85Å; I338-Q352 VanDerWaalsContact O-N 3.07Å; I338-I354 HydrophobicContact CD1-CD1 4.08Å; I338-I354 HydrophobicContact CD1-CG1 3.92Å; I338-T364 HydrophobicContact CD1-CG2 4.12Å; I338-T364 HydrophobicContact CG1-CG2 3.62Å; I338-Y369 HydrophobicContact CD1-CD1 3.86Å; I338-Y369 HydrophobicContact CD1-CE1 3.94Å; I338-Y369 HydrophobicContact CG1-CD1 4Å; I338-V398 CarbonylContact C-O 3.56Å; I338-V398 WeakPolarHBondContact CA-O 3.34Å; I338-Y400 HydrophobicContact CG2-CD2 3.86Å; I338-Y400 HydrophobicContact CG2-CE2 4.18Å
339	K	97.9	Very high	92.4	Very high	76 Å²	76	53.2 Å²	53.2	33%	0.33	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.8	178.4	-66.2	-176.8	-176.9	173.6	0	111.6	T337 T397 V398 Y400	T337-K339 HydrophobicContact CG2-CG 4.16Å; K339-T397 HydrophobicContact CD-CG2 3.86Å; K339-T397 HydrophobicContact CG-CG2 4.14Å; K339-V398 PolarHBondContact N-O 3Å; K339-Y400 PolarHBondContact O-N 3.38Å
340	Y	97.8	Very high	92.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	109.8	179.9	-54.6	-68	0	0	0	108	I338 N347 I348 H349 A350 Q352 Y369 L371 Y400 Y402	I338-Y340 HydrophobicContact CG2-CE1 3.87Å; I338-Y340 HydrophobicContact CG2-CE2 4.34Å; I338-Y340 WeakPolarHBondContact CG2-OH 3.43Å; Y340-N347 WeakPolarHBondContact O-CA 3.46Å; Y340-I348 PolarHBondContact O-N 3.2Å; Y340-H349 HydrophobicContact CD2-CB 3.91Å; Y340-H349 AromaticContact CD2-ND1 3.8Å; Y340-H349 HydrophobicContact CG-CB 4.06Å; Y340-A350 WeakPolarHBondContact CD2-O 3.46Å; Y340-A350 WeakPolarHBondContact CE2-O 3.33Å; Y340-Q352 HydrophobicContact CE2-CG 4.35Å; Y340-Q352 PolarHBondContact OH-OE1 3.27Å; Y340-Y369 WeakPolarHBondContact CE1-O 3.33Å; Y340-Y369 PolarHBondContact OH-O 2.99Å; Y340-L371 HydrophobicContact CD2-CD1 4.17Å; Y340-L371 HydrophobicContact CE1-CB 4.47Å; Y340-L371 HydrophobicContact CE1-CD1 4.1Å; Y340-L371 HydrophobicContact CE1-CG 4.07Å; Y340-L371 HydrophobicContact CE2-CD1 3.57Å; Y340-L371 HydrophobicContact CE2-CG 4.38Å; Y340-Y400 HydrophobicContact CE1-CD2 4.18Å; Y340-Y402 AromaticContact CD1-CE2 3.8Å; Y340-Y402 HydrophobicContact CD1-CE2 3.8Å
341	V	96.3	Very high	93.5	Very high	12 Å²	12	53.6 Å²	53.6	7%	0.073	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.6	-176.1	-57.9	0	0	0	0	111.4	D346 T399 Y400 V401 Y402	V341-D346 CarbonylContact C-O 3.58Å; V341-D346 WeakPolarHBondContact CA-O 3.27Å; V341-D346 WeakPolarHBondContact CB-O 3.37Å; V341-T399 HydrophobicContact CB-CG2 4.47Å; V341-T399 HydrophobicContact CG1-CG2 4.2Å; V341-T399 HydrophobicContact CG2-CG2 3.45Å; V341-T399 VanDerWaalsContact CG2-CG2 3.45Å; V341-Y400 PolarHBondContact N-O 3.13Å; V341-V401 HydrophobicContact CG2-CG2 4.07Å; V341-V401 CarbonylContact O-C 3.6Å; V341-V401 WeakPolarHBondContact O-CA 3.35Å; V341-Y402 PolarHBondContact O-N 2.93Å
342	D	93.5	Very high	94.4	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-176.8	166	61.4	26.2	0	0	0	112.4	D344 G345 D346 I348 Y376 Y402	D342-D344 PolarHBondContact O-N 3.21Å; D342-D344 PolarHBondContact OD1-N 2.94Å; D342-D344 VanDerWaalsContact OD1-N 3.11Å; D342-G345 PolarHBondContact O-N 3.21Å; D342-G345 PolarHBondContact OD1-N 3.07Å; D342-G345 VanDerWaalsContact OD1-N 3.09Å; D342-D346 PolarHBondContact N-O 2.75Å; D342-D346 VanDerWaalsContact N-O 3.08Å; D342-D346 PolarHBondContact OD1-N 3.33Å; D342-I348 HydrophobicContact CB-CG2 3.94Å; D342-Y376 HydrophobicContact CB-CD1 4.38Å; D342-Y376 HydrophobicContact CB-CE1 3.68Å; D342-Y402 WeakPolarHBondContact CA-O 3.45Å
343	A	90	Very high	95	Very high	64 Å²	64	53.3 Å²	53.3	53%	0.529	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.3	-180	0	0	0	0	0	114.5	Y402	A343-Y402 PolarHBondContact N-O 3.39Å
344	D	90.2	Very high	95.4	Very high	155 Å²	155	53.8 Å²	53.8	83%	0.829	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-13	173.7	-69.8	-59.4	0	0	0	111.7	D342	D342-D344 PolarHBondContact O-N 3.21Å; D342-D344 PolarHBondContact OD1-N 2.94Å; D342-D344 VanDerWaalsContact OD1-N 3.11Å
345	G	91.1	Very high	95.4	Very high	41 Å²	41	58.5 Å²	58.5	42%	0.423	34%	0.336	S	S	.	.			trans	94.8	7.1	177.9	0	0	0	0	0	114.5	D342	D342-G345 PolarHBondContact O-N 3.21Å; D342-G345 PolarHBondContact OD1-N 3.07Å; D342-G345 VanDerWaalsContact OD1-N 3.09Å
346	D	93.7	Very high	95.2	Very high	113 Å²	113	59.6 Å²	59.6	60%	0.604	35%	0.347	S	S	*	.			trans	-77	147.1	177.3	-96.1	-33.5	0	0	0	111	V341 D342 I348	V341-D346 CarbonylContact C-O 3.58Å; V341-D346 WeakPolarHBondContact CA-O 3.27Å; V341-D346 WeakPolarHBondContact CB-O 3.37Å; D342-D346 PolarHBondContact N-O 2.75Å; D342-D346 VanDerWaalsContact N-O 3.08Å; D342-D346 PolarHBondContact OD1-N 3.33Å; D346-I348 PolarHBondContact O-N 2.71Å
347	N	94.8	Very high	94.7	Very high	103 Å²	103	62 Å²	62	55%	0.551	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.7	-170.8	-65.8	-107	0	0	0	110.4	Y340	Y340-N347 WeakPolarHBondContact O-CA 3.46Å
348	I	94.4	Very high	94.1	Very high	37 Å²	37	63.4 Å²	63.4	19%	0.19	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-14.4	-173.3	61.7	172.3	0	0	0	114.1	Y340 D342 D346 V373 Y376 Y402	Y340-I348 PolarHBondContact O-N 3.2Å; D342-I348 HydrophobicContact CB-CG2 3.94Å; D346-I348 PolarHBondContact O-N 2.71Å; I348-V373 HydrophobicContact CB-CG1 4.44Å; I348-V373 HydrophobicContact CD1-CB 4.39Å; I348-V373 HydrophobicContact CD1-CG1 3.94Å; I348-V373 HydrophobicContact CG1-CG1 4.15Å; I348-Y376 HydrophobicContact CB-CE2 4.2Å; I348-Y376 HydrophobicContact CD1-CD1 3.77Å; I348-Y376 HydrophobicContact CD1-CD2 4.02Å; I348-Y376 HydrophobicContact CD1-CE1 4.16Å; I348-Y376 HydrophobicContact CD1-CE2 4.39Å; I348-Y376 HydrophobicContact CD1-CG 3.7Å; I348-Y376 HydrophobicContact CG2-CE1 3.92Å; I348-Y376 HydrophobicContact CG2-CE2 3.99Å; I348-Y402 HydrophobicContact CD1-CD1 4.36Å; I348-Y402 HydrophobicContact CD1-CD2 3.91Å; I348-Y402 HydrophobicContact CD1-CG 3.71Å
349	H	96.3	Very high	93.6	Very high	84 Å²	84	65.2 Å²	65.2	39%	0.389	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.1	174.5	-170.2	-87.4	0	0	0	110.5	Y340 V373	Y340-H349 HydrophobicContact CD2-CB 3.91Å; Y340-H349 AromaticContact CD2-ND1 3.8Å; Y340-H349 HydrophobicContact CG-CB 4.06Å; H349-V373 HydrophobicContact CB-CG2 4.23Å
350	A	96.5	Very high	93.2	Very high	65 Å²	65	64.9 Å²	64.9	54%	0.537	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	139.6	173.9	0	0	0	0	0	110.8	Y340	Y340-A350 WeakPolarHBondContact CD2-O 3.46Å; Y340-A350 WeakPolarHBondContact CE2-O 3.33Å
351	P	97.2	Very high	93.2	Very high	81 Å²	81	72.1 Å²	72.1	53%	0.526	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	151	179.3	29.7	-35.3	0	0	0	111.8	T337 I338	T337-P351 HydrophobicContact CG2-CB 3.91Å; I338-P351 CarbonylContact O-C 3.6Å; I338-P351 WeakPolarHBondContact O-CA 3.24Å; I338-P351 WeakPolarHBondContact O-CB 3.15Å
352	Q	98	Very high	93.2	Very high	59 Å²	59	72.3 Å²	72.3	28%	0.276	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	165.1	166.4	-72.3	178.3	-20.4	0	0	110	I338 Y340 D368	I338-Q352 HydrophobicContact CB-CB 4.31Å; I338-Q352 HydrophobicContact CD1-CB 4.25Å; I338-Q352 PolarHBondContact N-O 3.11Å; I338-Q352 PolarHBondContact O-N 2.85Å; I338-Q352 VanDerWaalsContact O-N 3.07Å; Y340-Q352 HydrophobicContact CE2-CG 4.35Å; Y340-Q352 PolarHBondContact OH-OE1 3.27Å; Q352-D368 PolarHBondContact NE2-O 3.14Å; Q352-D368 PolarHBondContact OE1-O 2.84Å
353	T	96.7	Very high	93.4	Very high	94 Å²	94	73.9 Å²	73.9	58%	0.577	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.1	177.5	47.7	0	0	0	0	111.6	V336	V336-T353 CarbonylContact O-C 3.48Å; V336-T353 VanDerWaalsContact O-CA 3.3Å; V336-T353 WeakPolarHBondContact O-CA 3.21Å
354	I	96.8	Very high	93.7	Very high	25 Å²	25	70.9 Å²	70.9	13%	0.128	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.1	166.8	-63.3	171.7	0	0	0	107.7	G335 V336 I338 T364 Y369 L391	G335-I354 CarbonylContact C-O 3.55Å; G335-I354 WeakPolarHBondContact CA-O 3.4Å; V336-I354 HydrophobicContact CB-CB 4.36Å; V336-I354 PolarHBondContact N-O 2.94Å; V336-I354 PolarHBondContact O-N 3.27Å; I338-I354 HydrophobicContact CD1-CD1 4.08Å; I338-I354 HydrophobicContact CD1-CG1 3.92Å; I354-T364 HydrophobicContact CD1-CG2 3.85Å; I354-Y369 HydrophobicContact CD1-CE1 3.75Å; I354-Y369 HydrophobicContact CD1-CE2 4.4Å; I354-Y369 HydrophobicContact CG1-CE1 3.74Å; I354-Y369 WeakPolarHBondContact CG1-OH 3.19Å; I354-L391 HydrophobicContact CG2-CD2 4.48Å
355	E	93	Very high	94	Very high	169 Å²	169	65.6 Å²	65.6	79%	0.79	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	158.4	174.5	-63.3	-178.6	178.6	0	0	110.3
356	G	90.5	Very high	94.2	Very high	24 Å²	24	66 Å²	66	25%	0.247	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-162.1	-179.5	0	0	0	0	0	112.2	S333	S333-G356 WeakPolarHBondContact CB-O 3.34Å; S333-G356 PolarHBondContact N-O 2.87Å
357	N	87.2	Confident	94.2	Very high	51 Å²	51	64.7 Å²	64.7	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	156.3	178.3	-53.7	-87.9	0	0	0	111.8	T330 I331 G359 D360 L391	T330-N357 HydrophobicContact CG2-CB 4.46Å; T330-N357 PolarHBondContact OG1-OD1 2.82Å; I331-N357 CarbonylContact O-C 3.59Å; I331-N357 VanDerWaalsContact O-CA 3.29Å; I331-N357 WeakPolarHBondContact O-CA 3.45Å; N357-G359 PolarHBondContact O-N 2.83Å; N357-D360 WeakPolarHBondContact CA-OD2 3.35Å; N357-D360 WeakPolarHBondContact CB-OD2 3.24Å; N357-D360 PolarHBondContact N-OD2 3.5Å; N357-D360 PolarHBondContact ND2-OD2 3.16Å; N357-D360 WeakPolarHBondContact O-CB 3.29Å; N357-D360 PolarHBondContact O-N 3.07Å; N357-L391 WeakPolarHBondContact O-CB 3.38Å
358	V	85.9	Confident	94.2	Very high	54 Å²	54	65.1 Å²	65.1	33%	0.327	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	119.8	169.3	179.8	0	0	0	0	109.3	I331 L391 A393	I331-V358 HydrophobicContact CB-CB 4.31Å; I331-V358 HydrophobicContact CB-CG2 3.9Å; I331-V358 HydrophobicContact CG2-CG2 3.95Å; I331-V358 WeakPolarHBondContact O-CG2 3.34Å; I331-V358 PolarHBondContact O-N 3.45Å; V358-L391 WeakPolarHBondContact CA-O 3.44Å; V358-A393 HydrophobicContact CG2-CB 4.09Å
359	G	87.5	Confident	94.3	Very high	39 Å²	39	66 Å²	66	40%	0.402	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	-21.9	-174.7	0	0	0	0	0	114.9	N357 Q361 L391	N357-G359 PolarHBondContact O-N 2.83Å; G359-Q361 PolarHBondContact O-NE2 2.99Å; G359-L391 PolarHBondContact N-O 3.24Å
360	D	90.9	Very high	94.3	Very high	69 Å²	69	64.1 Å²	64.1	37%	0.369	37%	0.373	S	S	.	.			trans	-61.9	139.1	176.9	-70.1	-18.6	0	0	0	110.2	N357 S390 L391	N357-D360 WeakPolarHBondContact CA-OD2 3.35Å; N357-D360 WeakPolarHBondContact CB-OD2 3.24Å; N357-D360 PolarHBondContact N-OD2 3.5Å; N357-D360 PolarHBondContact ND2-OD2 3.16Å; N357-D360 WeakPolarHBondContact O-CB 3.29Å; N357-D360 PolarHBondContact O-N 3.07Å; D360-S390 CarbonylContact O-C 3.59Å; D360-S390 WeakPolarHBondContact O-CA 3.29Å; D360-L391 HydrophobicContact CB-CD1 4.19Å; D360-L391 PolarHBondContact O-N 2.93Å
361	Q	96.3	Very high	94.2	Very high	152 Å²	152	62.6 Å²	62.6	71%	0.71	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.8	-175.2	-57.2	-61.9	-72.6	0	0	111.1	G359 G389	G359-Q361 PolarHBondContact O-NE2 2.99Å; Q361-G389 CarbonylContact C-O 3.51Å; Q361-G389 WeakPolarHBondContact CA-O 3.39Å
362	Y	96.6	Very high	94	Very high	15 Å²	15	66.7 Å²	66.7	6%	0.059	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.7	173	69.2	-93.8	0	0	0	112.3	V336 T364 N386 K388 G389 L391 Q396 V398	V336-Y362 HydrophobicContact CG1-CE2 4.46Å; V336-Y362 HydrophobicContact CG2-CD1 3.83Å; V336-Y362 HydrophobicContact CG2-CD2 4.18Å; V336-Y362 HydrophobicContact CG2-CE1 3.51Å; V336-Y362 HydrophobicContact CG2-CE2 3.91Å; V336-Y362 HydrophobicContact CG2-CG 4.13Å; Y362-T364 HydrophobicContact CD2-CG2 4.28Å; Y362-N386 WeakPolarHBondContact CE2-O 3.44Å; Y362-N386 PolarHBondContact OH-O 3.39Å; Y362-K388 WeakPolarHBondContact O-CA 3.32Å; Y362-G389 VanDerWaalsContact CD1-O 3.25Å; Y362-G389 WeakPolarHBondContact CD1-O 3.27Å; Y362-G389 PolarHBondContact N-O 3.24Å; Y362-G389 PolarHBondContact O-N 2.76Å; Y362-G389 VanDerWaalsContact O-N 3.15Å; Y362-L391 HydrophobicContact CD1-CD2 3.71Å; Y362-L391 HydrophobicContact CD1-CG 4.23Å; Y362-L391 HydrophobicContact CE1-CD2 4.18Å; Y362-L391 HydrophobicContact CG-CD2 4.48Å; Y362-Q396 PolarHBondContact OH-NE2 3.36Å; Y362-V398 HydrophobicContact CE2-CG2 4.11Å
363	D	97.6	Very high	93.7	Very high	58 Å²	58	64.2 Å²	64.2	31%	0.31	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	104.6	177.1	-174.5	-11.4	0	0	0	109.4	T365 K388	D363-T365 VanDerWaalsContact C-N 3.31Å; D363-T365 WeakPolarHBondContact OD1-CB 3.09Å; D363-T365 PolarHBondContact OD1-N 2.9Å; D363-T365 PolarHBondContact OD1-OG1 3.23Å; D363-K388 HydrophobicContact CB-CD 4.41Å; D363-K388 HydrophobicContact CB-CG 4.35Å; D363-K388 VanDerWaalsContact CG-NZ 3.28Å; D363-K388 WeakPolarHBondContact OD1-CE 3.37Å; D363-K388 IonicContact OD1-NZ 2.89Å; D363-K388 PolarHBondContact OD1-NZ 3.38Å; D363-K388 WeakPolarHBondContact OD2-CE 3.41Å; D363-K388 IonicContact OD2-NZ 3.84Å; D363-K388 PolarHBondContact OD2-NZ 2.63Å
364	T	97.4	Very high	93.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.364	C	S	.	.			trans	-90.6	10.3	177.6	63.9	0	0	0	0	112.5	I338 I354 Y362 T366 Y369 A387 V398 Y400	I338-T364 HydrophobicContact CD1-CG2 4.12Å; I338-T364 HydrophobicContact CG1-CG2 3.62Å; I354-T364 HydrophobicContact CD1-CG2 3.85Å; Y362-T364 HydrophobicContact CD2-CG2 4.28Å; T364-T366 VanDerWaalsContact C-N 3.29Å; T364-Y369 HydrophobicContact CG2-CD1 4.27Å; T364-Y369 HydrophobicContact CG2-CG 4.24Å; T364-Y369 WeakPolarHBondContact O-CB 3.34Å; T364-A387 PolarHBondContact N-O 2.84Å; T364-A387 WeakPolarHBondContact OG1-CA 3.47Å; T364-A387 PolarHBondContact OG1-O 2.98Å; T364-A387 VanDerWaalsContact OG1-O 3.06Å; T364-V398 HydrophobicContact CG2-CG2 4.47Å; T364-Y400 PolarHBondContact O-OH 3.38Å; T364-Y400 PolarHBondContact OG1-OH 3.13Å
365	T	95.9	Very high	92.8	Very high	45 Å²	45	63.5 Å²	63.5	28%	0.276	36%	0.359	S	S	.	.			trans	-85.7	1.6	179.9	67.9	0	0	0	0	113.8	D363 A387 K388	D363-T365 VanDerWaalsContact C-N 3.31Å; D363-T365 WeakPolarHBondContact OD1-CB 3.09Å; D363-T365 PolarHBondContact OD1-N 2.9Å; D363-T365 PolarHBondContact OD1-OG1 3.23Å; T365-A387 HydrophobicContact CG2-CB 3.68Å; T365-K388 VanDerWaalsContact CG2-CE 3.49Å; T365-K388 HydrophobicContact CG2-CG 4.23Å; T365-K388 WeakPolarHBondContact OG1-CE 3.37Å; T365-K388 PolarHBondContact OG1-NZ 3.33Å
366	T	94.5	Very high	92.8	Very high	50 Å²	50	58 Å²	58	31%	0.307	33%	0.332	S	S	.	.	S	Bend	trans	-76.3	162.4	172.6	78.1	0	0	0	0	111.7	T364 D368 Y369 Q370	T364-T366 VanDerWaalsContact C-N 3.29Å; T366-D368 VanDerWaalsContact CB-OD2 3.29Å; T366-D368 WeakPolarHBondContact CB-OD2 3.34Å; T366-D368 PolarHBondContact O-N 2.9Å; T366-D368 PolarHBondContact OG1-N 2.96Å; T366-D368 PolarHBondContact OG1-OD2 2.96Å; T366-Y369 PolarHBondContact O-N 3.24Å; T366-Y369 WeakPolarHBondContact OG1-CD2 3.37Å; T366-Q370 PolarHBondContact O-N 3.42Å
367	A	93.5	Very high	92.9	Very high	85 Å²	85	59.9 Å²	59.9	70%	0.702	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.8	177.1	0	0	0	0	0	113.6	Y369	A367-Y369 PolarHBondContact O-N 2.83Å
368	D	95.4	Very high	93.3	Very high	111 Å²	111	58.8 Å²	58.8	59%	0.594	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.8	178	-41.6	-76.8	0	0	0	112.3	Q352 T366 L371	Q352-D368 PolarHBondContact NE2-O 3.14Å; Q352-D368 PolarHBondContact OE1-O 2.84Å; T366-D368 VanDerWaalsContact CB-OD2 3.29Å; T366-D368 WeakPolarHBondContact CB-OD2 3.34Å; T366-D368 PolarHBondContact O-N 2.9Å; T366-D368 PolarHBondContact OG1-N 2.96Å; T366-D368 PolarHBondContact OG1-OD2 2.96Å; D368-L371 WeakPolarHBondContact O-CD2 3.23Å
369	Y	96.6	Very high	93.7	Very high	55 Å²	55	57.2 Å²	57.2	22%	0.216	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-30	177.9	-57.6	-81.2	0	0	0	112.8	I338 Y340 I354 T364 T366 A367 L371	I338-Y369 HydrophobicContact CD1-CD1 3.86Å; I338-Y369 HydrophobicContact CD1-CE1 3.94Å; I338-Y369 HydrophobicContact CG1-CD1 4Å; Y340-Y369 WeakPolarHBondContact CE1-O 3.33Å; Y340-Y369 PolarHBondContact OH-O 2.99Å; I354-Y369 HydrophobicContact CD1-CE1 3.75Å; I354-Y369 HydrophobicContact CD1-CE2 4.4Å; I354-Y369 HydrophobicContact CG1-CE1 3.74Å; I354-Y369 WeakPolarHBondContact CG1-OH 3.19Å; T364-Y369 HydrophobicContact CG2-CD1 4.27Å; T364-Y369 HydrophobicContact CG2-CG 4.24Å; T364-Y369 WeakPolarHBondContact O-CB 3.34Å; T366-Y369 PolarHBondContact O-N 3.24Å; T366-Y369 WeakPolarHBondContact OG1-CD2 3.37Å; A367-Y369 PolarHBondContact O-N 2.83Å; Y369-L371 VanDerWaalsContact C-N 3.27Å; Y369-L371 PolarHBondContact O-N 2.78Å
370	Q	95.6	Very high	93.9	Very high	45 Å²	45	61.3 Å²	61.3	21%	0.21	33%	0.334	C	S	.	.	S	Bend	trans	-81.3	70.8	172.1	-67.5	-164	6.3	0	0	111	T366 L378 Y400	T366-Q370 PolarHBondContact O-N 3.42Å; Q370-L378 HydrophobicContact CB-CD2 3.78Å; Q370-L378 HydrophobicContact CG-CD2 3.76Å; Q370-Y400 HydrophobicContact CG-CE1 4.19Å; Q370-Y400 HydrophobicContact CG-CE2 4.47Å
371	L	95.1	Very high	93.9	Very high	34 Å²	34	64.1 Å²	64.1	18%	0.178	35%	0.354	C	S	.	.			trans	-66	147.1	-170.8	-59.4	-176.8	0	0	0	114.2	Y340 D368 Y369 V373 Y402	Y340-L371 HydrophobicContact CD2-CD1 4.17Å; Y340-L371 HydrophobicContact CE1-CB 4.47Å; Y340-L371 HydrophobicContact CE1-CD1 4.1Å; Y340-L371 HydrophobicContact CE1-CG 4.07Å; Y340-L371 HydrophobicContact CE2-CD1 3.57Å; Y340-L371 HydrophobicContact CE2-CG 4.38Å; D368-L371 WeakPolarHBondContact O-CD2 3.23Å; Y369-L371 VanDerWaalsContact C-N 3.27Å; Y369-L371 PolarHBondContact O-N 2.78Å; L371-V373 HydrophobicContact CB-CG2 4.29Å; L371-V373 PolarHBondContact O-N 3.48Å; L371-Y402 PolarHBondContact N-OH 3.22Å; L371-Y402 WeakPolarHBondContact O-CE1 3.38Å; L371-Y402 PolarHBondContact O-OH 3.03Å
372	I	92.6	Very high	93.5	Very high	167 Å²	167	59.5 Å²	59.5	86%	0.856	34%	0.338	S	S	*	.			trans	-81.3	108.8	165.2	-59	174.9	0	0	0	108
373	V	91.7	Very high	93.4	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.036	35%	0.35	C	S	.	.			trans	-103.4	114.2	-179.8	-174.9	0	0	0	0	110.1	I348 H349 L371 G375 Y376 Y402	I348-V373 HydrophobicContact CB-CG1 4.44Å; I348-V373 HydrophobicContact CD1-CB 4.39Å; I348-V373 HydrophobicContact CD1-CG1 3.94Å; I348-V373 HydrophobicContact CG1-CG1 4.15Å; H349-V373 HydrophobicContact CB-CG2 4.23Å; L371-V373 HydrophobicContact CB-CG2 4.29Å; L371-V373 PolarHBondContact O-N 3.48Å; V373-G375 PolarHBondContact O-N 3.18Å; V373-Y376 HydrophobicContact CG1-CD2 4.07Å; V373-Y376 PolarHBondContact O-N 2.83Å; V373-Y376 VanDerWaalsContact O-O 3.12Å; V373-Y402 HydrophobicContact CB-CD1 4.38Å; V373-Y402 HydrophobicContact CB-CE1 4.3Å; V373-Y402 HydrophobicContact CG2-CD1 4.27Å; V373-Y402 HydrophobicContact CG2-CE1 3.8Å
374	P	86.7	Confident	93.2	Very high	102 Å²	102	59.9 Å²	59.9	66%	0.662	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	130.1	-178.1	-26	35.1	0	0	0	112.9
375	G	88.5	Confident	93.1	Very high	2 Å²	2	69.6 Å²	69.6	2%	0.021	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-10.3	-172.8	0	0	0	0	0	115	V373 N405 P434	V373-G375 PolarHBondContact O-N 3.18Å; G375-N405 WeakPolarHBondContact O-CB 3.13Å; G375-N405 PolarHBondContact O-N 2.89Å; G375-P434 CarbonylContact C-O 3.58Å; G375-P434 VanDerWaalsContact CA-O 3.24Å; G375-P434 WeakPolarHBondContact CA-O 3.39Å
376	Y	92.9	Very high	93.2	Very high	53 Å²	53	70.5 Å²	70.5	21%	0.208	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.6	-167.7	-67.1	-92.7	0	0	0	112.4	D342 I348 V373 Q403 R404 N405	D342-Y376 HydrophobicContact CB-CD1 4.38Å; D342-Y376 HydrophobicContact CB-CE1 3.68Å; I348-Y376 HydrophobicContact CB-CE2 4.2Å; I348-Y376 HydrophobicContact CD1-CD1 3.77Å; I348-Y376 HydrophobicContact CD1-CD2 4.02Å; I348-Y376 HydrophobicContact CD1-CE1 4.16Å; I348-Y376 HydrophobicContact CD1-CE2 4.39Å; I348-Y376 HydrophobicContact CD1-CG 3.7Å; I348-Y376 HydrophobicContact CG2-CE1 3.92Å; I348-Y376 HydrophobicContact CG2-CE2 3.99Å; V373-Y376 HydrophobicContact CG1-CD2 4.07Å; V373-Y376 PolarHBondContact O-N 2.83Å; V373-Y376 VanDerWaalsContact O-O 3.12Å; Y376-Q403 WeakPolarHBondContact CA-O 3.14Å; Y376-R404 HydrophobicContact CD1-CB 3.94Å; Y376-R404 HydrophobicContact CD1-CG 4.36Å; Y376-R404 HydrophobicContact CE1-CB 3.69Å; Y376-R404 HydrophobicContact CE1-CG 3.99Å; Y376-N405 PolarHBondContact N-ND2 3.19Å
377	S	93	Very high	93.3	Very high	65 Å²	65	68.3 Å²	68.3	46%	0.455	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	171.7	-67.8	0	0	0	0	109.8	D379 Y402 Q403 N405	S377-D379 PolarHBondContact O-N 3.29Å; S377-Y402 CarbonylContact O-C 3.56Å; S377-Y402 WeakPolarHBondContact O-CA 3.49Å; S377-Q403 PolarHBondContact N-O 3Å; S377-Q403 PolarHBondContact O-N 3.16Å; S377-N405 WeakPolarHBondContact CB-OD1 3.34Å; S377-N405 PolarHBondContact N-OD1 3.2Å; S377-N405 PolarHBondContact OG-OD1 3.11Å
378	L	95.4	Very high	93.4	Very high	28 Å²	28	69.7 Å²	69.7	15%	0.147	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	128.9	177.4	174.7	57.7	0	0	0	110.2	Q370 Q380 I383 Y400 Y402	Q370-L378 HydrophobicContact CB-CD2 3.78Å; Q370-L378 HydrophobicContact CG-CD2 3.76Å; L378-Q380 PolarHBondContact O-N 3.21Å; L378-I383 HydrophobicContact CD1-CD1 4.4Å; L378-I383 HydrophobicContact CD2-CD1 4.16Å; L378-I383 HydrophobicContact CG-CD1 4.29Å; L378-Y400 HydrophobicContact CD1-CD1 3.79Å; L378-Y400 HydrophobicContact CD1-CG 4.24Å; L378-Y400 HydrophobicContact CD2-CD1 4.5Å; L378-Y402 VanDerWaalsContact CA-CD1 3.5Å; L378-Y402 HydrophobicContact CB-CD1 4.01Å; L378-Y402 HydrophobicContact CB-CE1 3.67Å; L378-Y402 HydrophobicContact CD1-CD2 4.35Å; L378-Y402 HydrophobicContact CD1-CE1 4.25Å; L378-Y402 HydrophobicContact CD1-CE2 3.93Å; L378-Y402 HydrophobicContact CG-CE1 4.5Å
379	D	93.9	Very high	93.5	Very high	20 Å²	20	65.6 Å²	65.6	11%	0.107	35%	0.351	C	S	.	.			trans	-75	94	176.5	-170.6	-12.7	0	0	0	110.8	S377 T381 S382 V401 Q403	S377-D379 PolarHBondContact O-N 3.29Å; D379-T381 PolarHBondContact O-N 2.99Å; D379-T381 VanDerWaalsContact O-N 3.11Å; D379-T381 WeakPolarHBondContact OD1-CA 3.26Å; D379-T381 WeakPolarHBondContact OD1-CB 3.38Å; D379-T381 PolarHBondContact OD1-N 3.34Å; D379-T381 PolarHBondContact OD1-OG1 2.86Å; D379-S382 VanDerWaalsContact CG-OG 3.24Å; D379-S382 CarbonylContact O-C 3.56Å; D379-S382 PolarHBondContact O-N 3.1Å; D379-S382 PolarHBondContact OD1-N 3.46Å; D379-S382 WeakPolarHBondContact OD2-CB 3.46Å; D379-S382 PolarHBondContact OD2-OG 2.91Å; D379-V401 WeakPolarHBondContact CB-O 3.4Å; D379-V401 PolarHBondContact N-O 2.95Å; D379-Q403 HydrophobicContact CB-CG 4.19Å; D379-Q403 PolarHBondContact OD2-NE2 2.82Å
380	Q	91.9	Very high	93.4	Very high	125 Å²	125	65.4 Å²	65.4	58%	0.584	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.2	176.3	-65.9	-66.9	-28.2	0	0	113.6	L378	L378-Q380 PolarHBondContact O-N 3.21Å
381	T	90.8	Very high	93.4	Very high	129 Å²	129	63.4 Å²	63.4	79%	0.791	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-14	171.2	71.3	0	0	0	0	113.2	D379	D379-T381 PolarHBondContact O-N 2.99Å; D379-T381 VanDerWaalsContact O-N 3.11Å; D379-T381 WeakPolarHBondContact OD1-CA 3.26Å; D379-T381 WeakPolarHBondContact OD1-CB 3.38Å; D379-T381 PolarHBondContact OD1-N 3.34Å; D379-T381 PolarHBondContact OD1-OG1 2.86Å
382	S	89	Confident	93.4	Very high	54 Å²	54	64.1 Å²	64.1	38%	0.378	35%	0.354	S	S	.	.	S	Bend	trans	-119.3	33	-174.3	-57	0	0	0	0	112.7	D379	D379-S382 VanDerWaalsContact CG-OG 3.24Å; D379-S382 CarbonylContact O-C 3.56Å; D379-S382 PolarHBondContact O-N 3.1Å; D379-S382 PolarHBondContact OD1-N 3.46Å; D379-S382 WeakPolarHBondContact OD2-CB 3.46Å; D379-S382 PolarHBondContact OD2-OG 2.91Å
383	I	92.6	Very high	93.2	Very high	60 Å²	60	59.1 Å²	59.1	31%	0.308	34%	0.338	S	S	.	.			trans	-64.8	126.3	175	-59.9	-61.5	0	0	0	109.7	L378 Y400	L378-I383 HydrophobicContact CD1-CD1 4.4Å; L378-I383 HydrophobicContact CD2-CD1 4.16Å; L378-I383 HydrophobicContact CG-CD1 4.29Å; I383-Y400 HydrophobicContact CD1-CD1 4.36Å; I383-Y400 HydrophobicContact CD1-CE1 4.05Å; I383-Y400 HydrophobicContact CG2-CE1 4.31Å
384	P	94.6	Very high	93.3	Very high	22 Å²	22	64.7 Å²	64.7	14%	0.143	37%	0.368	C	S	.	.			trans	-67.7	136.2	-174.6	25.8	-34.4	0	0	0	112.8	N386 A387 V398 T399 Y400	P384-N386 PolarHBondContact O-N 3.35Å; P384-A387 HydrophobicContact CG-CB 4.31Å; P384-A387 VanDerWaalsContact O-CB 3.24Å; P384-A387 WeakPolarHBondContact O-CB 3.43Å; P384-A387 PolarHBondContact O-N 3.38Å; P384-V398 HydrophobicContact CB-CG1 4.33Å; P384-V398 HydrophobicContact CG-CG1 3.59Å; P384-T399 WeakPolarHBondContact CG-O 3.18Å; P384-Y400 VanDerWaalsContact CD-CE1 3.49Å; P384-Y400 HydrophobicContact CG-CD1 4.06Å; P384-Y400 HydrophobicContact CG-CE1 3.92Å
385	E	95.4	Very high	93.7	Very high	203 Å²	203	65 Å²	65	95%	0.949	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.2	-178.4	-62.3	-173.5	157.1	0	0	113	A387	E385-A387 VanDerWaalsContact C-N 3.28Å; E385-A387 PolarHBondContact O-N 2.98Å
386	N	96.6	Very high	94.1	Very high	64 Å²	64	66.7 Å²	66.7	34%	0.342	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-87.1	18.3	177.9	74.2	-39.3	0	0	0	114.1	Y362 P384 K388 T397 V398	Y362-N386 WeakPolarHBondContact CE2-O 3.44Å; Y362-N386 PolarHBondContact OH-O 3.39Å; P384-N386 PolarHBondContact O-N 3.35Å; N386-K388 PolarHBondContact O-N 3.32Å; N386-K388 VanDerWaalsContact O-N 3.12Å; N386-T397 PolarHBondContact ND2-O 3.27Å; N386-V398 WeakPolarHBondContact O-CG2 3.43Å
387	A	96.6	Very high	94.3	Very high	4 Å²	4	66.6 Å²	66.6	3%	0.033	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-62	-13.5	174.2	0	0	0	0	0	114.1	T364 T365 P384 E385	T364-A387 PolarHBondContact N-O 2.84Å; T364-A387 WeakPolarHBondContact OG1-CA 3.47Å; T364-A387 PolarHBondContact OG1-O 2.98Å; T364-A387 VanDerWaalsContact OG1-O 3.06Å; T365-A387 HydrophobicContact CG2-CB 3.68Å; P384-A387 HydrophobicContact CG-CB 4.31Å; P384-A387 VanDerWaalsContact O-CB 3.24Å; P384-A387 WeakPolarHBondContact O-CB 3.43Å; P384-A387 PolarHBondContact O-N 3.38Å; E385-A387 VanDerWaalsContact C-N 3.28Å; E385-A387 PolarHBondContact O-N 2.98Å
388	K	97.4	Very high	94.6	Very high	115 Å²	115	63.5 Å²	63.5	50%	0.5	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.2	171.7	-47.7	-167	-171.6	-142.4	0	110.1	Y362 D363 T365 N386	Y362-K388 WeakPolarHBondContact O-CA 3.32Å; D363-K388 HydrophobicContact CB-CD 4.41Å; D363-K388 HydrophobicContact CB-CG 4.35Å; D363-K388 VanDerWaalsContact CG-NZ 3.28Å; D363-K388 WeakPolarHBondContact OD1-CE 3.37Å; D363-K388 IonicContact OD1-NZ 2.89Å; D363-K388 PolarHBondContact OD1-NZ 3.38Å; D363-K388 WeakPolarHBondContact OD2-CE 3.41Å; D363-K388 IonicContact OD2-NZ 3.84Å; D363-K388 PolarHBondContact OD2-NZ 2.63Å; T365-K388 VanDerWaalsContact CG2-CE 3.49Å; T365-K388 HydrophobicContact CG2-CG 4.23Å; T365-K388 WeakPolarHBondContact OG1-CE 3.37Å; T365-K388 PolarHBondContact OG1-NZ 3.33Å; N386-K388 PolarHBondContact O-N 3.32Å; N386-K388 VanDerWaalsContact O-N 3.12Å
389	G	96.2	Very high	94.7	Very high	25 Å²	25	64.5 Å²	64.5	26%	0.258	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.9	-165.6	174.4	0	0	0	0	0	113.2	Q361 Y362	Q361-G389 CarbonylContact C-O 3.51Å; Q361-G389 WeakPolarHBondContact CA-O 3.39Å; Y362-G389 VanDerWaalsContact CD1-O 3.25Å; Y362-G389 WeakPolarHBondContact CD1-O 3.27Å; Y362-G389 PolarHBondContact N-O 3.24Å; Y362-G389 PolarHBondContact O-N 2.76Å; Y362-G389 VanDerWaalsContact O-N 3.15Å
390	S	95.7	Very high	94.9	Very high	51 Å²	51	63.6 Å²	63.6	36%	0.357	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.4	169.7	57.1	0	0	0	0	111.4	D360 Q396	D360-S390 CarbonylContact O-C 3.59Å; D360-S390 WeakPolarHBondContact O-CA 3.29Å; S390-Q396 PolarHBondContact O-NE2 3.04Å; S390-Q396 VanDerWaalsContact O-NE2 3.13Å; S390-Q396 PolarHBondContact O-OE1 3.41Å
391	L	94.8	Very high	95.1	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	34%	0.34	C	S	.	.			trans	-58.6	135.5	164.4	-67	-173	0	0	0	110.4	V336 I354 N357 V358 G359 D360 Y362 Q396	V336-L391 HydrophobicContact CB-CD2 4.41Å; V336-L391 HydrophobicContact CG2-CD2 3.57Å; I354-L391 HydrophobicContact CG2-CD2 4.48Å; N357-L391 WeakPolarHBondContact O-CB 3.38Å; V358-L391 WeakPolarHBondContact CA-O 3.44Å; G359-L391 PolarHBondContact N-O 3.24Å; D360-L391 HydrophobicContact CB-CD1 4.19Å; D360-L391 PolarHBondContact O-N 2.93Å; Y362-L391 HydrophobicContact CD1-CD2 3.71Å; Y362-L391 HydrophobicContact CD1-CG 4.23Å; Y362-L391 HydrophobicContact CE1-CD2 4.18Å; Y362-L391 HydrophobicContact CG-CD2 4.48Å; L391-Q396 VanDerWaalsContact CA-OE1 3.28Å
392	T	94.1	Very high	95.3	Very high	48 Å²	48	53.4 Å²	53.4	29%	0.294	30%	0.303	S	S	.	.			trans	-109.2	177.2	176.3	65.3	0	0	0	0	111.8	S333 D394	S333-T392 WeakPolarHBondContact CB-O 3.22Å; S333-T392 PolarHBondContact OG-O 2.84Å; T392-D394 PolarHBondContact O-N 2.94Å; T392-D394 PolarHBondContact OG1-N 2.87Å; T392-D394 PolarHBondContact OG1-O 2.87Å
393	A	88.7	Confident	95.4	Very high	63 Å²	63	54.9 Å²	54.9	52%	0.521	30%	0.303	S	S	.	.	S	Bend	trans	-73.2	-11.3	174.3	0	0	0	0	0	113.2	P334 V358	P334-A393 WeakPolarHBondContact CD-O 3.35Å; P334-A393 WeakPolarHBondContact CG-O 3.5Å; V358-A393 HydrophobicContact CG2-CB 4.09Å
394	D	94.1	Very high	95.3	Very high	122 Å²	122	56.6 Å²	56.6	65%	0.652	31%	0.306	S	S	*	.	S	Bend	trans	-104.1	151.2	178.9	-61.6	-64.8	0	0	0	110.6	T392 Q396	T392-D394 PolarHBondContact O-N 2.94Å; T392-D394 PolarHBondContact OG1-N 2.87Å; T392-D394 PolarHBondContact OG1-O 2.87Å; D394-Q396 PolarHBondContact O-N 3.01Å; D394-Q396 VanDerWaalsContact O-N 3.17Å
395	L	94.6	Very high	95.1	Very high	110 Å²	110	57.6 Å²	57.6	58%	0.576	31%	0.31	S	S	*	.			trans	-67.4	115.1	178.4	178.9	66.4	0	0	0	110.5	P334	P334-L395 HydrophobicContact CB-CB 4.24Å; P334-L395 HydrophobicContact CB-CD1 4.36Å; P334-L395 HydrophobicContact CG-CB 4.25Å; P334-L395 WeakPolarHBondContact O-CD1 3.28Å
396	Q	97.7	Very high	94.8	Very high	36 Å²	36	52.6 Å²	52.6	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	156.2	176.6	-71.8	166.6	-66.2	0	0	111	G335 V336 T337 Y362 S390 L391 D394	G335-Q396 PolarHBondContact O-N 2.84Å; V336-Q396 HydrophobicContact CB-CB 4.44Å; V336-Q396 HydrophobicContact CG2-CB 3.7Å; T337-Q396 PolarHBondContact N-O 3.15Å; Y362-Q396 PolarHBondContact OH-NE2 3.36Å; S390-Q396 PolarHBondContact O-NE2 3.04Å; S390-Q396 VanDerWaalsContact O-NE2 3.13Å; S390-Q396 PolarHBondContact O-OE1 3.41Å; L391-Q396 VanDerWaalsContact CA-OE1 3.28Å; D394-Q396 PolarHBondContact O-N 3.01Å; D394-Q396 VanDerWaalsContact O-N 3.17Å
397	T	97.7	Very high	94.6	Very high	52 Å²	52	50 Å²	50	32%	0.319	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.8	173.1	-65.8	0	0	0	0	109.9	T337 K339 N386	T337-T397 CarbonylContact O-C 3.53Å; T337-T397 VanDerWaalsContact O-CA 3.26Å; T337-T397 WeakPolarHBondContact O-CA 3.36Å; K339-T397 HydrophobicContact CD-CG2 3.86Å; K339-T397 HydrophobicContact CG-CG2 4.14Å; N386-T397 PolarHBondContact ND2-O 3.27Å
398	V	98.1	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132	168.1	177.2	0	0	0	0	107.2	V336 T337 I338 K339 Y362 T364 P384 N386 Y400	V336-V398 HydrophobicContact CG1-CB 4.29Å; V336-V398 HydrophobicContact CG1-CG2 3.72Å; T337-V398 PolarHBondContact O-N 2.99Å; I338-V398 CarbonylContact C-O 3.56Å; I338-V398 WeakPolarHBondContact CA-O 3.34Å; K339-V398 PolarHBondContact N-O 3Å; Y362-V398 HydrophobicContact CE2-CG2 4.11Å; T364-V398 HydrophobicContact CG2-CG2 4.47Å; P384-V398 HydrophobicContact CB-CG1 4.33Å; P384-V398 HydrophobicContact CG-CG1 3.59Å; N386-V398 WeakPolarHBondContact O-CG2 3.43Å; V398-Y400 HydrophobicContact CG1-CD2 4.4Å; V398-Y400 HydrophobicContact CG1-CE2 4.09Å
399	T	97.4	Very high	94.2	Very high	49 Å²	49	49.4 Å²	49.4	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.3	-178.4	-58.9	0	0	0	0	109.6	V341 P384	V341-T399 HydrophobicContact CB-CG2 4.47Å; V341-T399 HydrophobicContact CG1-CG2 4.2Å; V341-T399 HydrophobicContact CG2-CG2 3.45Å; V341-T399 VanDerWaalsContact CG2-CG2 3.45Å; P384-T399 WeakPolarHBondContact CG-O 3.18Å
400	Y	97.8	Very high	94.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125	170.1	-77.4	-67.9	0	0	0	110.1	I338 K339 Y340 V341 T364 Q370 L378 I383 P384 V398 Y402	I338-Y400 HydrophobicContact CG2-CD2 3.86Å; I338-Y400 HydrophobicContact CG2-CE2 4.18Å; K339-Y400 PolarHBondContact O-N 3.38Å; Y340-Y400 HydrophobicContact CE1-CD2 4.18Å; V341-Y400 PolarHBondContact N-O 3.13Å; T364-Y400 PolarHBondContact O-OH 3.38Å; T364-Y400 PolarHBondContact OG1-OH 3.13Å; Q370-Y400 HydrophobicContact CG-CE1 4.19Å; Q370-Y400 HydrophobicContact CG-CE2 4.47Å; L378-Y400 HydrophobicContact CD1-CD1 3.79Å; L378-Y400 HydrophobicContact CD1-CG 4.24Å; L378-Y400 HydrophobicContact CD2-CD1 4.5Å; I383-Y400 HydrophobicContact CD1-CD1 4.36Å; I383-Y400 HydrophobicContact CD1-CE1 4.05Å; I383-Y400 HydrophobicContact CG2-CE1 4.31Å; P384-Y400 VanDerWaalsContact CD-CE1 3.49Å; P384-Y400 HydrophobicContact CG-CD1 4.06Å; P384-Y400 HydrophobicContact CG-CE1 3.92Å; V398-Y400 HydrophobicContact CG1-CD2 4.4Å; V398-Y400 HydrophobicContact CG1-CE2 4.09Å; Y400-Y402 WeakPolarHBondContact O-CD2 3.38Å
401	V	96.6	Very high	94.3	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.7	179.2	-176.5	0	0	0	0	109.7	V341 D379	V341-V401 HydrophobicContact CG2-CG2 4.07Å; V341-V401 CarbonylContact O-C 3.6Å; V341-V401 WeakPolarHBondContact O-CA 3.35Å; D379-V401 WeakPolarHBondContact CB-O 3.4Å; D379-V401 PolarHBondContact N-O 2.95Å
402	Y	95	Very high	94.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.6	-178.9	-67.1	-113.1	0	0	0	110.4	Y340 V341 D342 A343 I348 L371 V373 S377 L378 Y400	Y340-Y402 AromaticContact CD1-CE2 3.8Å; Y340-Y402 HydrophobicContact CD1-CE2 3.8Å; V341-Y402 PolarHBondContact O-N 2.93Å; D342-Y402 WeakPolarHBondContact CA-O 3.45Å; A343-Y402 PolarHBondContact N-O 3.39Å; I348-Y402 HydrophobicContact CD1-CD1 4.36Å; I348-Y402 HydrophobicContact CD1-CD2 3.91Å; I348-Y402 HydrophobicContact CD1-CG 3.71Å; L371-Y402 PolarHBondContact N-OH 3.22Å; L371-Y402 WeakPolarHBondContact O-CE1 3.38Å; L371-Y402 PolarHBondContact O-OH 3.03Å; V373-Y402 HydrophobicContact CB-CD1 4.38Å; V373-Y402 HydrophobicContact CB-CE1 4.3Å; V373-Y402 HydrophobicContact CG2-CD1 4.27Å; V373-Y402 HydrophobicContact CG2-CE1 3.8Å; S377-Y402 CarbonylContact O-C 3.56Å; S377-Y402 WeakPolarHBondContact O-CA 3.49Å; L378-Y402 VanDerWaalsContact CA-CD1 3.5Å; L378-Y402 HydrophobicContact CB-CD1 4.01Å; L378-Y402 HydrophobicContact CB-CE1 3.67Å; L378-Y402 HydrophobicContact CD1-CD2 4.35Å; L378-Y402 HydrophobicContact CD1-CE1 4.25Å; L378-Y402 HydrophobicContact CD1-CE2 3.93Å; L378-Y402 HydrophobicContact CG-CE1 4.5Å; Y400-Y402 WeakPolarHBondContact O-CD2 3.38Å
403	Q	92.6	Very high	94.5	Very high	84 Å²	84	57.6 Å²	57.6	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135	168.6	-56.1	-58.6	-18.9	0	0	108.7	Y376 S377 D379 N405	Y376-Q403 WeakPolarHBondContact CA-O 3.14Å; S377-Q403 PolarHBondContact N-O 3Å; S377-Q403 PolarHBondContact O-N 3.16Å; D379-Q403 HydrophobicContact CB-CG 4.19Å; D379-Q403 PolarHBondContact OD2-NE2 2.82Å; Q403-N405 PolarHBondContact O-N 2.99Å
404	R	89.8	Confident	94.7	Very high	97 Å²	97	55.6 Å²	55.6	37%	0.366	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.4	171.6	-170.9	167	63.2	101.5	-2.3	108.6	Y376 T473 D475	Y376-R404 HydrophobicContact CD1-CB 3.94Å; Y376-R404 HydrophobicContact CD1-CG 4.36Å; Y376-R404 HydrophobicContact CE1-CB 3.69Å; Y376-R404 HydrophobicContact CE1-CG 3.99Å; R404-T473 PolarHBondContact NH2-O 2.85Å; R404-D475 IonicContact CZ-OD2 2.62Å; R404-D475 IonicContact NH1-OD1 3.28Å; R404-D475 IonicContact NH1-OD2 2.65Å; R404-D475 PolarHBondContact NH1-OD2 2.98Å; R404-D475 IonicContact NH2-OD2 3.98Å
405	N	90.1	Very high	94.6	Very high	43 Å²	43	53.4 Å²	53.4	23%	0.23	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63	161.4	178.5	-64.3	-19.8	0	0	0	110.7	G375 Y376 S377 Q403 P434	G375-N405 WeakPolarHBondContact O-CB 3.13Å; G375-N405 PolarHBondContact O-N 2.89Å; Y376-N405 PolarHBondContact N-ND2 3.19Å; S377-N405 WeakPolarHBondContact CB-OD1 3.34Å; S377-N405 PolarHBondContact N-OD1 3.2Å; S377-N405 PolarHBondContact OG-OD1 3.11Å; Q403-N405 PolarHBondContact O-N 2.99Å; N405-P434 HydrophobicContact CB-CB 4.07Å; N405-P434 WeakPolarHBondContact CB-O 3.35Å; N405-P434 PolarHBondContact ND2-O 2.9Å; N405-P434 WeakPolarHBondContact O-CB 3.17Å
406	V	89.5	Confident	94.6	Very high	98 Å²	98	49 Å²	49	59%	0.594	26%	0.258	S	S	*	.			trans	-117	151.5	174.8	-60	0	0	0	0	110.3	G474	V406-G474 CarbonylContact C-O 3.51Å
407	A	91	Very high	94.2	Very high	10 Å²	10	49 Å²	49	8%	0.083	26%	0.262	C	S	.	.			trans	-64.5	143.1	170.7	0	0	0	0	0	110.3	T432 I439 Y464 G474 A477	A407-T432 CarbonylContact C-O 3.55Å; A407-T432 VanDerWaalsContact CA-O 3.28Å; A407-T432 WeakPolarHBondContact CA-O 3.5Å; A407-I439 HydrophobicContact CB-CD1 4.47Å; A407-Y464 HydrophobicContact CB-CD1 3.91Å; A407-Y464 HydrophobicContact CB-CE1 4.11Å; A407-G474 WeakPolarHBondContact CB-O 3.49Å; A407-G474 PolarHBondContact N-O 3.09Å; A407-A477 HydrophobicContact CB-CB 3.77Å; A407-A477 WeakPolarHBondContact O-CB 3.44Å
408	E	92.5	Very high	93.9	Very high	91 Å²	91	49.5 Å²	49.5	43%	0.425	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.3	175.4	-165.9	-172.9	-174.7	0	0	108.8	K410 G431 T432	E408-K410 WeakPolarHBondContact OE1-CE 3.47Å; E408-K410 IonicContact OE1-NZ 3.42Å; E408-K410 PolarHBondContact OE1-NZ 3.05Å; E408-K410 VanDerWaalsContact OE1-NZ 3.09Å; E408-K410 WeakPolarHBondContact OE2-CE 3.46Å; E408-K410 IonicContact OE2-NZ 3.66Å; E408-K410 PolarHBondContact OE2-NZ 3.4Å; E408-G431 CarbonylContact O-C 3.54Å; E408-G431 WeakPolarHBondContact O-CA 3.49Å; E408-T432 PolarHBondContact N-O 3.42Å; E408-T432 PolarHBondContact O-N 3.2Å
409	L	95.1	Very high	93.5	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.7	169.3	-76.4	-171.9	0	0	0	109.8	F428 I439 V444 A477 A479	L409-F428 HydrophobicContact CD1-CE2 4.47Å; L409-F428 HydrophobicContact CD2-CE2 3.94Å; L409-F428 HydrophobicContact CD2-CZ 3.96Å; L409-I439 HydrophobicContact CD2-CB 4.15Å; L409-I439 HydrophobicContact CD2-CD1 3.99Å; L409-I439 HydrophobicContact CD2-CG2 3.82Å; L409-V444 HydrophobicContact CD1-CG1 3.91Å; L409-V444 HydrophobicContact CD2-CG1 3.95Å; L409-A477 HydrophobicContact CB-CB 4.4Å; L409-A477 HydrophobicContact CG-CB 3.97Å; L409-A479 HydrophobicContact CB-CB 3.64Å
410	K	95.8	Very high	93.2	Very high	96 Å²	96	54.2 Å²	54.2	42%	0.417	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.3	179.8	-69.5	172.1	174.5	129	0	110.2	E408 D429 G430	E408-K410 WeakPolarHBondContact OE1-CE 3.47Å; E408-K410 IonicContact OE1-NZ 3.42Å; E408-K410 PolarHBondContact OE1-NZ 3.05Å; E408-K410 VanDerWaalsContact OE1-NZ 3.09Å; E408-K410 WeakPolarHBondContact OE2-CE 3.46Å; E408-K410 IonicContact OE2-NZ 3.66Å; E408-K410 PolarHBondContact OE2-NZ 3.4Å; K410-D429 HydrophobicContact CB-CB 3.79Å; K410-D429 PolarHBondContact O-N 2.93Å; K410-G430 PolarHBondContact N-O 2.95Å
411	A	96.7	Very high	93	Very high	27 Å²	27	59.2 Å²	59.2	22%	0.223	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	152.7	179.2	0	0	0	0	0	108.8	N427 D429 Y462 A479 A481	A411-N427 VanDerWaalsContact CA-O 3.22Å; A411-N427 WeakPolarHBondContact CA-O 3.03Å; A411-N427 VanDerWaalsContact CB-O 3.28Å; A411-N427 WeakPolarHBondContact CB-O 3.22Å; A411-D429 WeakPolarHBondContact CA-OD2 3.32Å; A411-D429 PolarHBondContact N-OD2 3.46Å; A411-Y462 HydrophobicContact CB-CD2 3.79Å; A411-Y462 HydrophobicContact CB-CE2 3.73Å; A411-A479 HydrophobicContact CB-CB 3.89Å; A411-A481 HydrophobicContact CB-CB 4.28Å
412	H	96.6	Very high	92.9	Very high	81 Å²	81	59.6 Å²	59.6	38%	0.375	33%	0.331	S	S	.	.			trans	-123.2	161.8	-179.1	67.1	-92.3	0	0	0	111.2	D426 N427 D429 A481	H412-D426 PolarHBondContact CE1-O 2.84Å; H412-D426 VanDerWaalsContact CE1-O 3.26Å; H412-D426 PolarHBondContact NE2-O 3.37Å; H412-N427 PolarHBondContact N-O 3.47Å; H412-N427 VanDerWaalsContact N-O 3.11Å; H412-N427 PolarHBondContact O-ND2 3.42Å; H412-D429 IonicContact CE1-OD1 2.68Å; H412-D429 IonicContact CG-OD1 2.78Å; H412-D429 IonicContact CG-OD2 2.91Å; H412-D429 PolarHBondContact N-OD2 2.98Å; H412-D429 VanDerWaalsContact N-OD2 3.13Å; H412-D429 IonicContact ND1-OD1 3.97Å; H412-D429 PolarHBondContact ND1-OD1 3.08Å; H412-D429 IonicContact ND1-OD2 2.99Å; H412-D429 PolarHBondContact ND1-OD2 3.02Å; H412-A481 WeakPolarHBondContact O-CB 3.37Å
413	D	96.5	Very high	92.9	Very high	94 Å²	94	64.6 Å²	64.6	50%	0.503	35%	0.353	S	S	.	.			trans	-84.5	144.2	174.6	-76.7	0.2	0	0	0	111.1	T482	D413-T482 WeakPolarHBondContact CA-O 3.13Å; D413-T482 VanDerWaalsContact CG-CB 3.49Å; D413-T482 WeakPolarHBondContact OD1-CB 3.25Å; D413-T482 PolarHBondContact OD1-N 3Å; D413-T482 PolarHBondContact OD1-OG1 2.81Å; D413-T482 WeakPolarHBondContact OD2-CB 3.38Å; D413-T482 PolarHBondContact OD2-OG1 2.9Å
414	S	94.2	Very high	93	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.154	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	165.1	179.5	66.9	0	0	0	0	112.5	N427 T482 T484	S414-N427 WeakPolarHBondContact CB-ND2 3.34Å; S414-N427 WeakPolarHBondContact CB-OD1 3.34Å; S414-N427 PolarHBondContact N-ND2 2.89Å; S414-N427 VanDerWaalsContact OG-CG 3.26Å; S414-N427 PolarHBondContact OG-ND2 2.93Å; S414-N427 PolarHBondContact OG-OD1 3.42Å; S414-T482 PolarHBondContact N-O 2.84Å; S414-T484 PolarHBondContact O-N 2.57Å
415	T	92.1	Very high	93.3	Very high	76 Å²	76	60.5 Å²	60.5	47%	0.466	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.2	176	-63.8	0	0	0	0	108.9	T484 I486	T415-T484 CarbonylContact C-O 3.53Å; T415-T484 VanDerWaalsContact CA-O 3.26Å; T415-T484 WeakPolarHBondContact CA-O 3.3Å; T415-I486 HydrophobicContact CG2-CB 4.5Å; T415-I486 HydrophobicContact CG2-CD1 3.62Å; T415-I486 HydrophobicContact CG2-CG1 3.74Å; T415-I486 HydrophobicContact CG2-CG2 3.96Å
416	I	92.9	Very high	93.6	Very high	16 Å²	16	61.7 Å²	61.7	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.3	-177.3	70.2	177.3	0	0	0	110.5	E420 W422 V450 N452 V483 T484 V485 I486	I416-E420 HydrophobicContact CB-CB 4.3Å; I416-E420 HydrophobicContact CB-CG 4.46Å; I416-W422 HydrophobicContact CD1-CB 3.67Å; I416-W422 HydrophobicContact CD1-CG 4.29Å; I416-V450 HydrophobicContact CD1-CG1 4.07Å; I416-N452 HydrophobicContact CD1-CB 4.23Å; I416-V483 HydrophobicContact CD1-CG1 4.01Å; I416-V483 HydrophobicContact CG1-CG1 4.23Å; I416-V483 HydrophobicContact CG2-CG1 4.46Å; I416-T484 PolarHBondContact N-O 3.03Å; I416-V485 HydrophobicContact CD1-CG2 4.05Å; I416-V485 HydrophobicContact CG1-CB 4.41Å; I416-V485 HydrophobicContact CG1-CG1 4.48Å; I416-V485 HydrophobicContact CG1-CG2 3.94Å; I416-V485 CarbonylContact O-C 3.56Å; I416-V485 WeakPolarHBondContact O-CA 3.35Å; I416-I486 WeakPolarHBondContact O-CG1 3.34Å; I416-I486 PolarHBondContact O-N 3.03Å
417	S	90.1	Very high	94	Very high	36 Å²	36	57 Å²	57	25%	0.252	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	153.5	175.7	-42.4	0	0	0	0	111.4	G419 E420 I486	S417-G419 PolarHBondContact O-N 3.42Å; S417-E420 VanDerWaalsContact CB-OE2 3.23Å; S417-E420 WeakPolarHBondContact CB-OE2 3.42Å; S417-E420 PolarHBondContact N-OE2 3.04Å; S417-E420 WeakPolarHBondContact O-CB 3.41Å; S417-E420 PolarHBondContact O-N 2.89Å; S417-E420 PolarHBondContact OG-OE2 2.65Å; S417-I486 CarbonylContact C-O 3.56Å; S417-I486 WeakPolarHBondContact CA-O 3.35Å
418	V	90.9	Very high	94.3	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.388	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	125.1	169.6	171.2	0	0	0	0	110	E420 N452 V455 V485 I486 D487	V418-E420 VanDerWaalsContact C-N 3.32Å; V418-N452 WeakPolarHBondContact CA-O 3.47Å; V418-V455 HydrophobicContact CG2-CG2 3.66Å; V418-V485 HydrophobicContact CG2-CG1 3.84Å; V418-I486 PolarHBondContact N-O 3.39Å; V418-D487 HydrophobicContact CG2-CB 4.29Å
419	G	89.8	Confident	94.5	Very high	55 Å²	55	57.6 Å²	57.6	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-3.3	-176.3	0	0	0	0	0	115.5	S417 N452	S417-G419 PolarHBondContact O-N 3.42Å; G419-N452 PolarHBondContact N-O 2.95Å
420	E	92.3	Very high	94.5	Very high	92 Å²	92	57.5 Å²	57.5	43%	0.43	32%	0.324	S	S	.	.			trans	-71.7	137.4	173.4	-170.6	162.2	-167.1	0	0	110.5	I416 S417 V418 N452	I416-E420 HydrophobicContact CB-CB 4.3Å; I416-E420 HydrophobicContact CB-CG 4.46Å; S417-E420 VanDerWaalsContact CB-OE2 3.23Å; S417-E420 WeakPolarHBondContact CB-OE2 3.42Å; S417-E420 PolarHBondContact N-OE2 3.04Å; S417-E420 WeakPolarHBondContact O-CB 3.41Å; S417-E420 PolarHBondContact O-N 2.89Å; S417-E420 PolarHBondContact OG-OE2 2.65Å; V418-E420 VanDerWaalsContact C-N 3.32Å; E420-N452 PolarHBondContact O-ND2 2.83Å
421	S	92.4	Very high	94.5	Very high	106 Å²	106	53.6 Å²	53.6	74%	0.741	31%	0.311	S	S	*	.			trans	-75.1	132.1	-179.2	55.2	0	0	0	0	111.1
422	W	94.8	Very high	94.3	Very high	47 Å²	47	54.8 Å²	54.8	18%	0.178	32%	0.316	C	S	.	.			trans	-129.2	151.1	176.8	173.6	87.8	0	0	0	110.6	I416 A424 N427 V450 I460 V483	I416-W422 HydrophobicContact CD1-CB 3.67Å; I416-W422 HydrophobicContact CD1-CG 4.29Å; W422-A424 VanDerWaalsContact CH2-CA 3.42Å; W422-A424 HydrophobicContact CH2-CB 3.74Å; W422-A424 HydrophobicContact CZ2-CB 4.27Å; W422-A424 HydrophobicContact CZ3-CB 4.38Å; W422-N427 PolarHBondContact NE1-OD1 2.76Å; W422-V450 HydrophobicContact CD2-CB 4.17Å; W422-V450 HydrophobicContact CD2-CG2 3.7Å; W422-V450 HydrophobicContact CE3-CB 3.7Å; W422-V450 HydrophobicContact CE3-CG2 3.38Å; W422-V450 HydrophobicContact CH2-CG2 3.81Å; W422-V450 HydrophobicContact CZ2-CG2 4.1Å; W422-V450 HydrophobicContact CZ3-CB 4.1Å; W422-V450 HydrophobicContact CZ3-CG2 3.45Å; W422-V450 VanDerWaalsContact CZ3-CG2 3.45Å; W422-I460 HydrophobicContact CH2-CD1 3.6Å; W422-I460 HydrophobicContact CH2-CG1 3.64Å; W422-I460 HydrophobicContact CH2-CG2 4.28Å; W422-I460 HydrophobicContact CZ2-CD1 4.23Å; W422-I460 HydrophobicContact CZ2-CG1 3.78Å; W422-I460 HydrophobicContact CZ3-CD1 4.26Å; W422-V483 HydrophobicContact CD2-CG2 4.4Å; W422-V483 HydrophobicContact CG-CG1 4.26Å; W422-V483 HydrophobicContact CZ2-CG2 3.67Å
423	K	95.4	Very high	93.9	Very high	106 Å²	106	51.8 Å²	51.8	46%	0.461	30%	0.302	S	S	.	.			trans	-140.7	156.7	172.3	57.3	167.8	-170.8	157.3	0	110.3	E425 D426	K423-E425 WeakPolarHBondContact CB-OE2 3.38Å; K423-E425 HydrophobicContact CD-CB 4.08Å; K423-E425 HydrophobicContact CD-CG 4.43Å; K423-E425 HydrophobicContact CG-CB 4.38Å; K423-E425 PolarHBondContact O-N 3.2Å; K423-E425 VanDerWaalsContact O-N 3.14Å; K423-D426 WeakPolarHBondContact CE-OD1 3.34Å; K423-D426 VanDerWaalsContact CG-CG 3.46Å; K423-D426 WeakPolarHBondContact CG-OD1 3.18Å; K423-D426 WeakPolarHBondContact CG-OD2 3.42Å; K423-D426 PolarHBondContact N-OD2 2.84Å; K423-D426 IonicContact NZ-OD1 2.67Å; K423-D426 WeakPolarHBondContact O-CB 2.87Å; K423-D426 PolarHBondContact O-N 3.47Å
424	A	95.6	Very high	93.5	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.9	-21	-172.7	0	0	0	0	0	114.4	W422 D426 F441 V446 Y462	W422-A424 VanDerWaalsContact CH2-CA 3.42Å; W422-A424 HydrophobicContact CH2-CB 3.74Å; W422-A424 HydrophobicContact CZ2-CB 4.27Å; W422-A424 HydrophobicContact CZ3-CB 4.38Å; A424-D426 VanDerWaalsContact C-N 3.26Å; A424-D426 PolarHBondContact O-N 3.45Å; A424-F441 HydrophobicContact CB-CE2 3.88Å; A424-F441 HydrophobicContact CB-CZ 3.87Å; A424-V446 HydrophobicContact CB-CB 4.39Å; A424-V446 HydrophobicContact CB-CG1 3.74Å; A424-V446 HydrophobicContact CB-CG2 3.91Å; A424-Y462 HydrophobicContact CB-CE1 4.32Å; A424-Y462 WeakPolarHBondContact O-CE1 3.38Å; A424-Y462 PolarHBondContact O-OH 2.98Å
425	E	95.5	Very high	93.2	Very high	84 Å²	84	49.2 Å²	49.2	39%	0.393	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-63.5	-27.2	170.8	-61	93.1	128	0	0	113.2	K423 N427 F428 F441	K423-E425 WeakPolarHBondContact CB-OE2 3.38Å; K423-E425 HydrophobicContact CD-CB 4.08Å; K423-E425 HydrophobicContact CD-CG 4.43Å; K423-E425 HydrophobicContact CG-CB 4.38Å; K423-E425 PolarHBondContact O-N 3.2Å; K423-E425 VanDerWaalsContact O-N 3.14Å; E425-N427 PolarHBondContact O-N 3.17Å; E425-F428 PolarHBondContact O-N 3.18Å; E425-F441 HydrophobicContact CB-CD2 4.45Å; E425-F441 HydrophobicContact CB-CE2 4.46Å; E425-F441 HydrophobicContact CG-CD1 3.56Å; E425-F441 HydrophobicContact CG-CD2 3.89Å; E425-F441 HydrophobicContact CG-CE1 3.56Å; E425-F441 HydrophobicContact CG-CE2 3.88Å; E425-F441 HydrophobicContact CG-CG 3.72Å; E425-F441 HydrophobicContact CG-CZ 3.72Å
426	D	96	Very high	92.9	Very high	68 Å²	68	48 Å²	48	36%	0.364	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-67.7	-17.3	-174.2	-62	-32.4	0	0	0	113	H412 K423 A424	H412-D426 PolarHBondContact CE1-O 2.84Å; H412-D426 VanDerWaalsContact CE1-O 3.26Å; H412-D426 PolarHBondContact NE2-O 3.37Å; K423-D426 WeakPolarHBondContact CE-OD1 3.34Å; K423-D426 VanDerWaalsContact CG-CG 3.46Å; K423-D426 WeakPolarHBondContact CG-OD1 3.18Å; K423-D426 WeakPolarHBondContact CG-OD2 3.42Å; K423-D426 PolarHBondContact N-OD2 2.84Å; K423-D426 IonicContact NZ-OD1 2.67Å; K423-D426 WeakPolarHBondContact O-CB 2.87Å; K423-D426 PolarHBondContact O-N 3.47Å; A424-D426 VanDerWaalsContact C-N 3.26Å; A424-D426 PolarHBondContact O-N 3.45Å
427	N	97.4	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-118.6	3.6	-174.8	-80.2	86.7	0	0	0	113.5	A411 H412 S414 W422 E425 Y462 A481	A411-N427 VanDerWaalsContact CA-O 3.22Å; A411-N427 WeakPolarHBondContact CA-O 3.03Å; A411-N427 VanDerWaalsContact CB-O 3.28Å; A411-N427 WeakPolarHBondContact CB-O 3.22Å; H412-N427 PolarHBondContact N-O 3.47Å; H412-N427 VanDerWaalsContact N-O 3.11Å; H412-N427 PolarHBondContact O-ND2 3.42Å; S414-N427 WeakPolarHBondContact CB-ND2 3.34Å; S414-N427 WeakPolarHBondContact CB-OD1 3.34Å; S414-N427 PolarHBondContact N-ND2 2.89Å; S414-N427 VanDerWaalsContact OG-CG 3.26Å; S414-N427 PolarHBondContact OG-ND2 2.93Å; S414-N427 PolarHBondContact OG-OD1 3.42Å; W422-N427 PolarHBondContact NE1-OD1 2.76Å; E425-N427 PolarHBondContact O-N 3.17Å; N427-Y462 VanDerWaalsContact CB-OH 3.26Å; N427-Y462 WeakPolarHBondContact CB-OH 3.45Å; N427-A481 HydrophobicContact CB-CB 3.75Å
428	F	97.4	Very high	92.8	Very high	26 Å²	26	54.6 Å²	54.6	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.5	-174.2	-177.8	-107.5	0	0	0	111.9	L409 E425 G430 F441 V444 Y462	L409-F428 HydrophobicContact CD1-CE2 4.47Å; L409-F428 HydrophobicContact CD2-CE2 3.94Å; L409-F428 HydrophobicContact CD2-CZ 3.96Å; E425-F428 PolarHBondContact O-N 3.18Å; F428-G430 VanDerWaalsContact CE1-CA 3.42Å; F428-F441 HydrophobicContact CB-CD2 4.1Å; F428-F441 HydrophobicContact CD1-CB 3.93Å; F428-F441 AromaticContact CD1-CD2 3.92Å; F428-F441 HydrophobicContact CD1-CD2 3.92Å; F428-F441 HydrophobicContact CD1-CG 4.44Å; F428-F441 HydrophobicContact CE1-CB 4.13Å; F428-F441 HydrophobicContact CG-CD2 4.06Å; F428-V444 HydrophobicContact CD2-CG2 4.5Å; F428-V444 HydrophobicContact CE1-CG2 4.44Å; F428-V444 HydrophobicContact CE2-CG1 4Å; F428-V444 HydrophobicContact CE2-CG2 4.02Å; F428-V444 HydrophobicContact CZ-CG1 3.79Å; F428-V444 HydrophobicContact CZ-CG2 3.98Å; F428-Y462 HydrophobicContact CB-CD1 4.24Å; F428-Y462 HydrophobicContact CB-CE1 3.78Å; F428-Y462 AromaticContact CD2-CD1 3.5Å; F428-Y462 HydrophobicContact CD2-CD1 3.5Å; F428-Y462 HydrophobicContact CD2-CD2 4.29Å; F428-Y462 AromaticContact CD2-CE1 3.94Å; F428-Y462 HydrophobicContact CD2-CE1 3.94Å; F428-Y462 AromaticContact CD2-CG 3.71Å; F428-Y462 HydrophobicContact CD2-CG 3.71Å; F428-Y462 HydrophobicContact CE2-CD1 4.19Å; F428-Y462 HydrophobicContact CE2-CG 4.23Å; F428-Y462 HydrophobicContact CG-CD1 4.15Å; F428-Y462 HydrophobicContact CG-CE1 4.19Å
429	D	97	Very high	92.9	Very high	86 Å²	86	51.8 Å²	51.8	46%	0.46	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	10	-175.3	-55.2	-52.5	0	0	0	113.2	K410 A411 H412	K410-D429 HydrophobicContact CB-CB 3.79Å; K410-D429 PolarHBondContact O-N 2.93Å; A411-D429 WeakPolarHBondContact CA-OD2 3.32Å; A411-D429 PolarHBondContact N-OD2 3.46Å; H412-D429 IonicContact CE1-OD1 2.68Å; H412-D429 IonicContact CG-OD1 2.78Å; H412-D429 IonicContact CG-OD2 2.91Å; H412-D429 PolarHBondContact N-OD2 2.98Å; H412-D429 VanDerWaalsContact N-OD2 3.13Å; H412-D429 IonicContact ND1-OD1 3.97Å; H412-D429 PolarHBondContact ND1-OD1 3.08Å; H412-D429 IonicContact ND1-OD2 2.99Å; H412-D429 PolarHBondContact ND1-OD2 3.02Å
430	G	95.4	Very high	93.1	Very high	14 Å²	14	52.3 Å²	52.3	14%	0.144	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.4	-154.4	-176.4	0	0	0	0	0	113.5	K410 F428	K410-G430 PolarHBondContact N-O 2.95Å; F428-G430 VanDerWaalsContact CE1-CA 3.42Å
431	G	94.6	Very high	93.3	Very high	14 Å²	14	50.9 Å²	50.9	14%	0.144	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-173.6	-179.9	0	0	0	0	0	111.8	E408 P438 I439	E408-G431 CarbonylContact O-C 3.54Å; E408-G431 WeakPolarHBondContact O-CA 3.49Å; G431-P438 WeakPolarHBondContact O-CA 3.33Å; G431-I439 PolarHBondContact N-O 3.48Å; G431-I439 PolarHBondContact O-N 2.89Å
432	T	92.9	Very high	93.3	Very high	52 Å²	52	54.7 Å²	54.7	32%	0.319	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.9	172.5	46.9	0	0	0	0	111.1	A407 E408 N437 I439	A407-T432 CarbonylContact C-O 3.55Å; A407-T432 VanDerWaalsContact CA-O 3.28Å; A407-T432 WeakPolarHBondContact CA-O 3.5Å; E408-T432 PolarHBondContact N-O 3.42Å; E408-T432 PolarHBondContact O-N 3.2Å; T432-N437 CarbonylContact C-O 3.45Å; T432-N437 VanDerWaalsContact CA-O 3.27Å; T432-N437 WeakPolarHBondContact CA-O 3.24Å; T432-I439 WeakPolarHBondContact O-CD1 3.26Å
433	D	89.7	Confident	93.1	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.091	31%	0.312	C	S	.	.			trans	-75.6	171	169	82.3	-0.3	0	0	0	110.8	Q435 G436 N437 I439 Y464	D433-Q435 PolarHBondContact O-N 2.87Å; D433-Q435 VanDerWaalsContact O-N 3.15Å; D433-Q435 VanDerWaalsContact OD1-CA 3.29Å; D433-Q435 WeakPolarHBondContact OD1-CA 3.05Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.38Å; D433-Q435 PolarHBondContact OD1-N 3.41Å; D433-G436 PolarHBondContact O-N 2.92Å; D433-G436 PolarHBondContact OD1-N 2.64Å; D433-N437 PolarHBondContact N-O 3.21Å; D433-N437 PolarHBondContact OD1-N 3.42Å; D433-N437 PolarHBondContact OD1-ND2 2.7Å; D433-N437 PolarHBondContact OD2-ND2 3.29Å; D433-I439 HydrophobicContact CB-CD1 4.49Å; D433-I439 HydrophobicContact CB-CG1 4.32Å; D433-Y464 HydrophobicContact CB-CE1 4.46Å
434	P	87.5	Confident	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.8	177.1	-29.8	38.9	0	0	0	114.6	G375 N405 G436 G474	G375-P434 CarbonylContact C-O 3.58Å; G375-P434 VanDerWaalsContact CA-O 3.24Å; G375-P434 WeakPolarHBondContact CA-O 3.39Å; N405-P434 HydrophobicContact CB-CB 4.07Å; N405-P434 WeakPolarHBondContact CB-O 3.35Å; N405-P434 PolarHBondContact ND2-O 2.9Å; N405-P434 WeakPolarHBondContact O-CB 3.17Å; P434-G436 PolarHBondContact O-N 2.94Å; P434-G474 WeakPolarHBondContact CG-O 3.33Å
435	Q	87	Confident	93	Very high	63 Å²	63	54.5 Å²	54.5	29%	0.294	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.2	177.8	-75	68.5	68.8	0	0	112.7	D433 N437	D433-Q435 PolarHBondContact O-N 2.87Å; D433-Q435 VanDerWaalsContact O-N 3.15Å; D433-Q435 VanDerWaalsContact OD1-CA 3.29Å; D433-Q435 WeakPolarHBondContact OD1-CA 3.05Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.38Å; D433-Q435 PolarHBondContact OD1-N 3.41Å; Q435-N437 WeakPolarHBondContact CB-ND2 3.43Å
436	G	85.5	Confident	92.9	Very high	50 Å²	50	52.8 Å²	52.8	52%	0.515	31%	0.306	S	S	.	.	S	Bend	trans	88.6	9.2	-177.7	0	0	0	0	0	113.9	D433 P434	D433-G436 PolarHBondContact O-N 2.92Å; D433-G436 PolarHBondContact OD1-N 2.64Å; P434-G436 PolarHBondContact O-N 2.94Å
437	N	89.3	Confident	92.9	Very high	87 Å²	87	54.1 Å²	54.1	47%	0.465	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-73.5	142.1	174.7	-53.8	-64.1	0	0	0	109.9	T432 D433 Q435 I439	T432-N437 CarbonylContact C-O 3.45Å; T432-N437 VanDerWaalsContact CA-O 3.27Å; T432-N437 WeakPolarHBondContact CA-O 3.24Å; D433-N437 PolarHBondContact N-O 3.21Å; D433-N437 PolarHBondContact OD1-N 3.42Å; D433-N437 PolarHBondContact OD1-ND2 2.7Å; D433-N437 PolarHBondContact OD2-ND2 3.29Å; Q435-N437 WeakPolarHBondContact CB-ND2 3.43Å; N437-I439 PolarHBondContact O-N 3.21Å
438	P	92.5	Very high	92.6	Very high	103 Å²	103	56.3 Å²	56.3	67%	0.669	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.8	175.8	28.2	-34.2	0	0	0	110.9	G431	G431-P438 WeakPolarHBondContact O-CA 3.33Å
439	I	93.3	Very high	92.3	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.4	169.7	-59	167.8	0	0	0	107.7	A407 L409 G431 T432 D433 N437 D443 V444 Y464	A407-I439 HydrophobicContact CB-CD1 4.47Å; L409-I439 HydrophobicContact CD2-CB 4.15Å; L409-I439 HydrophobicContact CD2-CD1 3.99Å; L409-I439 HydrophobicContact CD2-CG2 3.82Å; G431-I439 PolarHBondContact N-O 3.48Å; G431-I439 PolarHBondContact O-N 2.89Å; T432-I439 WeakPolarHBondContact O-CD1 3.26Å; D433-I439 HydrophobicContact CB-CD1 4.49Å; D433-I439 HydrophobicContact CB-CG1 4.32Å; N437-I439 PolarHBondContact O-N 3.21Å; I439-D443 HydrophobicContact CG2-CB 3.76Å; I439-V444 HydrophobicContact CG2-CG1 3.9Å; I439-Y464 HydrophobicContact CB-CD2 4.47Å; I439-Y464 HydrophobicContact CD1-CD1 3.69Å; I439-Y464 HydrophobicContact CD1-CD2 3.92Å; I439-Y464 HydrophobicContact CD1-CE1 3.87Å; I439-Y464 HydrophobicContact CD1-CE2 4.08Å; I439-Y464 HydrophobicContact CD1-CG 3.69Å; I439-Y464 HydrophobicContact CG1-CD2 4.11Å; I439-Y464 HydrophobicContact CG1-CE1 4.48Å; I439-Y464 HydrophobicContact CG1-CE2 3.97Å; I439-Y464 HydrophobicContact CG1-CG 4.4Å; I439-Y464 HydrophobicContact CG2-CD2 3.5Å; I439-Y464 HydrophobicContact CG2-CE2 3.93Å; I439-Y464 HydrophobicContact CG2-CG 4.13Å
440	T	94.1	Very high	92.2	Very high	66 Å²	66	58.1 Å²	58.1	41%	0.405	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-93.9	173.3	-179.8	77.4	0	0	0	0	111.5	E442 D443	T440-E442 PolarHBondContact O-N 3.21Å; T440-E442 PolarHBondContact OG1-N 2.58Å; T440-D443 WeakPolarHBondContact CA-OD2 3.22Å; T440-D443 WeakPolarHBondContact CB-OD2 3.28Å; T440-D443 PolarHBondContact N-OD2 3.05Å; T440-D443 PolarHBondContact O-N 2.82Å; T440-D443 PolarHBondContact OG1-OD2 2.94Å
441	F	95.1	Very high	92.1	Very high	62 Å²	62	60.2 Å²	60.2	27%	0.272	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-66.3	-26.5	175.8	-176.5	-94.2	0	0	0	112.7	A424 E425 F428 D443 V444 V446 Y462	A424-F441 HydrophobicContact CB-CE2 3.88Å; A424-F441 HydrophobicContact CB-CZ 3.87Å; E425-F441 HydrophobicContact CB-CD2 4.45Å; E425-F441 HydrophobicContact CB-CE2 4.46Å; E425-F441 HydrophobicContact CG-CD1 3.56Å; E425-F441 HydrophobicContact CG-CD2 3.89Å; E425-F441 HydrophobicContact CG-CE1 3.56Å; E425-F441 HydrophobicContact CG-CE2 3.88Å; E425-F441 HydrophobicContact CG-CG 3.72Å; E425-F441 HydrophobicContact CG-CZ 3.72Å; F428-F441 HydrophobicContact CB-CD2 4.1Å; F428-F441 HydrophobicContact CD1-CB 3.93Å; F428-F441 AromaticContact CD1-CD2 3.92Å; F428-F441 HydrophobicContact CD1-CD2 3.92Å; F428-F441 HydrophobicContact CD1-CG 4.44Å; F428-F441 HydrophobicContact CE1-CB 4.13Å; F428-F441 HydrophobicContact CG-CD2 4.06Å; F441-D443 PolarHBondContact O-N 2.84Å; F441-V444 HydrophobicContact CD2-CG2 4.25Å; F441-V444 WeakPolarHBondContact O-CG2 3.35Å; F441-V444 PolarHBondContact O-N 3.43Å; F441-V446 HydrophobicContact CE2-CG2 3.81Å; F441-V446 HydrophobicContact CZ-CG2 3.87Å; F441-Y462 HydrophobicContact CE2-CE1 4.18Å
442	E	93.1	Very high	92	Very high	185 Å²	185	61.6 Å²	61.6	86%	0.864	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.4	177.4	-60.4	-176	-170.6	0	0	112.5	T440	T440-E442 PolarHBondContact O-N 3.21Å; T440-E442 PolarHBondContact OG1-N 2.58Å
443	D	91.3	Very high	91.9	Very high	82 Å²	82	63.3 Å²	63.3	44%	0.439	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-90	-7.6	-178.4	-59.1	-70.3	0	0	0	114.1	I439 T440 F441 Y464	I439-D443 HydrophobicContact CG2-CB 3.76Å; T440-D443 WeakPolarHBondContact CA-OD2 3.22Å; T440-D443 WeakPolarHBondContact CB-OD2 3.28Å; T440-D443 PolarHBondContact N-OD2 3.05Å; T440-D443 PolarHBondContact O-N 2.82Å; T440-D443 PolarHBondContact OG1-OD2 2.94Å; F441-D443 PolarHBondContact O-N 2.84Å; D443-Y464 HydrophobicContact CB-CD2 4.19Å; D443-Y464 HydrophobicContact CB-CE2 4.2Å
444	V	94	Very high	91.9	Very high	18 Å²	18	67.8 Å²	67.8	11%	0.109	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.2	-173.5	-61.2	0	0	0	0	113.4	L409 F428 I439 F441 Y462 T463	L409-V444 HydrophobicContact CD1-CG1 3.91Å; L409-V444 HydrophobicContact CD2-CG1 3.95Å; F428-V444 HydrophobicContact CD2-CG2 4.5Å; F428-V444 HydrophobicContact CE1-CG2 4.44Å; F428-V444 HydrophobicContact CE2-CG1 4Å; F428-V444 HydrophobicContact CE2-CG2 4.02Å; F428-V444 HydrophobicContact CZ-CG1 3.79Å; F428-V444 HydrophobicContact CZ-CG2 3.98Å; I439-V444 HydrophobicContact CG2-CG1 3.9Å; F441-V444 HydrophobicContact CD2-CG2 4.25Å; F441-V444 WeakPolarHBondContact O-CG2 3.35Å; F441-V444 PolarHBondContact O-N 3.43Å; V444-Y462 HydrophobicContact CG2-CD1 4.3Å; V444-T463 WeakPolarHBondContact CA-O 3.15Å
445	S	93.4	Very high	91.9	Very high	61 Å²	61	71.9 Å²	71.9	43%	0.427	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.9	167	63.2	0	0	0	0	110	T463	S445-T463 PolarHBondContact N-O 3.26Å; S445-T463 PolarHBondContact O-N 3.31Å; S445-T463 PolarHBondContact OG-O 2.74Å
446	V	95.2	Very high	92	Very high	49 Å²	49	70 Å²	70	30%	0.297	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.2	175.2	-177.3	0	0	0	0	110.2	A424 F441 I460 Y462	A424-V446 HydrophobicContact CB-CB 4.39Å; A424-V446 HydrophobicContact CB-CG1 3.74Å; A424-V446 HydrophobicContact CB-CG2 3.91Å; F441-V446 HydrophobicContact CE2-CG2 3.81Å; F441-V446 HydrophobicContact CZ-CG2 3.87Å; V446-I460 HydrophobicContact CG1-CG2 3.64Å; V446-Y462 HydrophobicContact CG2-CD1 3.97Å; V446-Y462 HydrophobicContact CG2-CE1 4.08Å
447	V	94.2	Very high	92.3	Very high	96 Å²	96	71.6 Å²	71.6	58%	0.582	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.3	171.6	-178.7	0	0	0	0	109.3	T461	V447-T461 PolarHBondContact N-O 3.06Å; V447-T461 PolarHBondContact O-N 3.17Å
448	G	92.5	Very high	92.6	Very high	45 Å²	45	69.5 Å²	69.5	46%	0.464	39%	0.392	S	S	.	.			trans	143.9	163.6	-174.3	0	0	0	0	0	110.3
449	D	91.2	Very high	92.8	Very high	136 Å²	136	70.3 Å²	70.3	73%	0.727	39%	0.387	S	S	*	.			trans	-153.2	150.9	176.6	-168.2	9.7	0	0	0	109.2	Y458	D449-Y458 WeakPolarHBondContact O-CD1 3.31Å
450	V	93.3	Very high	93	Very high	14 Å²	14	70 Å²	70	9%	0.085	39%	0.386	C	S	.	.			trans	-119.2	104.5	-174.7	-176.7	0	0	0	0	110.2	I416 W422 N452 Y458 I460 V483 V485	I416-V450 HydrophobicContact CD1-CG1 4.07Å; W422-V450 HydrophobicContact CD2-CB 4.17Å; W422-V450 HydrophobicContact CD2-CG2 3.7Å; W422-V450 HydrophobicContact CE3-CB 3.7Å; W422-V450 HydrophobicContact CE3-CG2 3.38Å; W422-V450 HydrophobicContact CH2-CG2 3.81Å; W422-V450 HydrophobicContact CZ2-CG2 4.1Å; W422-V450 HydrophobicContact CZ3-CB 4.1Å; W422-V450 HydrophobicContact CZ3-CG2 3.45Å; W422-V450 VanDerWaalsContact CZ3-CG2 3.45Å; V450-N452 PolarHBondContact O-N 3.22Å; V450-Y458 HydrophobicContact CB-CG 4.48Å; V450-Y458 HydrophobicContact CG1-CD2 4.11Å; V450-Y458 HydrophobicContact CG1-CG 4.2Å; V450-Y458 HydrophobicContact CG2-CG 4.45Å; V450-I460 HydrophobicContact CG2-CD1 3.89Å; V450-I460 HydrophobicContact CG2-CG1 4.43Å; V450-V483 HydrophobicContact CG1-CB 4.43Å; V450-V483 HydrophobicContact CG1-CG1 3.93Å; V450-V483 HydrophobicContact CG2-CB 3.91Å; V450-V483 HydrophobicContact CG2-CG1 4.09Å; V450-V483 HydrophobicContact CG2-CG2 3.95Å; V450-V485 HydrophobicContact CG1-CG2 3.86Å
451	D	94.2	Very high	93.1	Very high	58 Å²	58	68.5 Å²	68.5	31%	0.31	38%	0.376	S	S	.	.			trans	-77.7	76.8	172.6	-177.9	-3.1	0	0	0	110	T453 K454 Y458	D451-T453 PolarHBondContact O-N 3.06Å; D451-T453 WeakPolarHBondContact OD1-CB 2.99Å; D451-T453 PolarHBondContact OD1-N 3.2Å; D451-T453 PolarHBondContact OD1-OG1 2.84Å; D451-K454 VanDerWaalsContact CG-NZ 3.34Å; D451-K454 PolarHBondContact O-N 3.15Å; D451-K454 IonicContact OD1-NZ 2.75Å; D451-K454 PolarHBondContact OD1-NZ 2.83Å; D451-K454 VanDerWaalsContact OD2-CD 3.3Å; D451-K454 WeakPolarHBondContact OD2-CD 3.48Å; D451-K454 WeakPolarHBondContact OD2-CE 3.48Å; D451-K454 IonicContact OD2-NZ 3.2Å; D451-K454 PolarHBondContact OD2-NZ 3.07Å; D451-Y458 HydrophobicContact CB-CE1 3.72Å; D451-Y458 PolarHBondContact O-OH 3.47Å
452	N	92.1	Very high	93.2	Very high	43 Å²	43	65.5 Å²	65.5	23%	0.23	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-6.8	-179.1	74.8	-13.7	0	0	0	114.3	I416 V418 G419 E420 V450 K454	I416-N452 HydrophobicContact CD1-CB 4.23Å; V418-N452 WeakPolarHBondContact CA-O 3.47Å; G419-N452 PolarHBondContact N-O 2.95Å; E420-N452 PolarHBondContact O-ND2 2.83Å; V450-N452 PolarHBondContact O-N 3.22Å; N452-K454 VanDerWaalsContact C-N 3.3Å
453	T	90.9	Very high	93.3	Very high	89 Å²	89	57.8 Å²	57.8	55%	0.546	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.6	173.1	77.1	0	0	0	0	113.2	D451	D451-T453 PolarHBondContact O-N 3.06Å; D451-T453 WeakPolarHBondContact OD1-CB 2.99Å; D451-T453 PolarHBondContact OD1-N 3.2Å; D451-T453 PolarHBondContact OD1-OG1 2.84Å
454	K	90	Very high	93.3	Very high	111 Å²	111	54.8 Å²	54.8	48%	0.483	31%	0.311	S	S	.	.	S	Bend	trans	-129.8	135.1	-175.4	-63.1	179.8	-167.8	63.1	0	111.4	D451 N452 G456 Y458 V485	D451-K454 VanDerWaalsContact CG-NZ 3.34Å; D451-K454 PolarHBondContact O-N 3.15Å; D451-K454 IonicContact OD1-NZ 2.75Å; D451-K454 PolarHBondContact OD1-NZ 2.83Å; D451-K454 VanDerWaalsContact OD2-CD 3.3Å; D451-K454 WeakPolarHBondContact OD2-CD 3.48Å; D451-K454 WeakPolarHBondContact OD2-CE 3.48Å; D451-K454 IonicContact OD2-NZ 3.2Å; D451-K454 PolarHBondContact OD2-NZ 3.07Å; N452-K454 VanDerWaalsContact C-N 3.3Å; K454-G456 PolarHBondContact O-N 3.39Å; K454-Y458 PolarHBondContact O-OH 2.88Å; K454-V485 VanDerWaalsContact O-CB 3.3Å; K454-V485 WeakPolarHBondContact O-CB 3.36Å; K454-V485 VanDerWaalsContact O-CG1 3.28Å; K454-V485 WeakPolarHBondContact O-CG1 3.38Å
455	V	87.2	Confident	93.1	Very high	85 Å²	85	55.8 Å²	55.8	52%	0.515	32%	0.316	S	S	.	.			trans	-64	125.7	170.7	176.2	0	0	0	0	109.3	V418 V485 D487	V418-V455 HydrophobicContact CG2-CG2 3.66Å; V455-V485 WeakPolarHBondContact CA-O 3.44Å; V455-V485 WeakPolarHBondContact CG1-O 3.26Å; V455-D487 HydrophobicContact CG2-CB 3.64Å
456	G	90.1	Very high	92.4	Very high	25 Å²	25	58.5 Å²	58.5	26%	0.258	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	177.5	-174.5	0	0	0	0	0	113.4	K454 V485	K454-G456 PolarHBondContact O-N 3.39Å; G456-V485 PolarHBondContact N-O 2.87Å; G456-V485 PolarHBondContact O-N 2.89Å
457	K	91.5	Very high	91.4	Very high	82 Å²	82	59.8 Å²	59.8	36%	0.357	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	169.3	-82.5	-171.9	157.4	-164	0	109.1	T482 V483 T484 D520 S549	K457-T482 HydrophobicContact CB-CG2 3.9Å; K457-T482 HydrophobicContact CD-CG2 3.83Å; K457-T482 HydrophobicContact CG-CG2 3.92Å; K457-V483 WeakPolarHBondContact CA-O 3.38Å; K457-T484 VanDerWaalsContact CE-OG1 3.27Å; K457-T484 WeakPolarHBondContact CE-OG1 3.48Å; K457-T484 HydrophobicContact CG-CG2 3.91Å; K457-D520 IonicContact NZ-OD1 2.75Å; K457-D520 PolarHBondContact NZ-OD1 2.76Å; K457-D520 IonicContact NZ-OD2 2.65Å; K457-D520 PolarHBondContact NZ-OD2 3.28Å; K457-S549 WeakPolarHBondContact CE-OG 3.41Å
458	Y	95.5	Very high	90.1	Very high	44 Å²	44	60.3 Å²	60.3	17%	0.173	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.9	-174.5	-62.2	-95	0	0	0	109	D449 V450 D451 K454 T482 V483 V485	D449-Y458 WeakPolarHBondContact O-CD1 3.31Å; V450-Y458 HydrophobicContact CB-CG 4.48Å; V450-Y458 HydrophobicContact CG1-CD2 4.11Å; V450-Y458 HydrophobicContact CG1-CG 4.2Å; V450-Y458 HydrophobicContact CG2-CG 4.45Å; D451-Y458 HydrophobicContact CB-CE1 3.72Å; D451-Y458 PolarHBondContact O-OH 3.47Å; K454-Y458 PolarHBondContact O-OH 2.88Å; Y458-T482 WeakPolarHBondContact O-CA 3.42Å; Y458-V483 PolarHBondContact N-O 3.19Å; Y458-V483 PolarHBondContact O-N 2.67Å; Y458-V485 HydrophobicContact CD2-CG2 3.79Å; Y458-V485 HydrophobicContact CE2-CB 4.22Å; Y458-V485 HydrophobicContact CE2-CG2 3.56Å
459	E	96.1	Very high	88.8	Confident	120 Å²	120	66.3 Å²	66.3	56%	0.561	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.6	176.3	-73.7	-167.9	88.6	0	0	111	K480	E459-K480 IonicContact OE1-NZ 2.71Å; E459-K480 PolarHBondContact OE1-NZ 2.77Å; E459-K480 IonicContact OE2-NZ 3.64Å
460	I	97.3	Very high	87.5	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.9	173.3	-51.5	-59.3	0	0	0	108	W422 V446 V450 Y462 K480 A481 V483	W422-I460 HydrophobicContact CH2-CD1 3.6Å; W422-I460 HydrophobicContact CH2-CG1 3.64Å; W422-I460 HydrophobicContact CH2-CG2 4.28Å; W422-I460 HydrophobicContact CZ2-CD1 4.23Å; W422-I460 HydrophobicContact CZ2-CG1 3.78Å; W422-I460 HydrophobicContact CZ3-CD1 4.26Å; V446-I460 HydrophobicContact CG1-CG2 3.64Å; V450-I460 HydrophobicContact CG2-CD1 3.89Å; V450-I460 HydrophobicContact CG2-CG1 4.43Å; I460-Y462 HydrophobicContact CB-CE2 4.41Å; I460-Y462 HydrophobicContact CG2-CE1 4.19Å; I460-Y462 HydrophobicContact CG2-CE2 3.91Å; I460-K480 CarbonylContact O-C 3.6Å; I460-K480 VanDerWaalsContact O-CA 3.31Å; I460-K480 WeakPolarHBondContact O-CA 3.17Å; I460-A481 PolarHBondContact N-O 2.74Å; I460-A481 PolarHBondContact O-N 3.38Å; I460-V483 HydrophobicContact CG1-CG2 3.97Å
461	T	97.3	Very high	85.9	Confident	33 Å²	33	72.3 Å²	72.3	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.1	178	-55	0	0	0	0	110.1	V447 A479 K480	V447-T461 PolarHBondContact N-O 3.06Å; V447-T461 PolarHBondContact O-N 3.17Å; T461-A479 WeakPolarHBondContact CA-O 3.23Å; T461-K480 HydrophobicContact CG2-CG 4.34Å; T461-K480 WeakPolarHBondContact OG1-CE 3.36Å
462	Y	96.7	Very high	84.4	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.8	173.5	-54	-88.5	0	0	0	108.7	A411 A424 N427 F428 F441 V444 V446 I460 T478 A479 A481	A411-Y462 HydrophobicContact CB-CD2 3.79Å; A411-Y462 HydrophobicContact CB-CE2 3.73Å; A424-Y462 HydrophobicContact CB-CE1 4.32Å; A424-Y462 WeakPolarHBondContact O-CE1 3.38Å; A424-Y462 PolarHBondContact O-OH 2.98Å; N427-Y462 VanDerWaalsContact CB-OH 3.26Å; N427-Y462 WeakPolarHBondContact CB-OH 3.45Å; F428-Y462 HydrophobicContact CB-CD1 4.24Å; F428-Y462 HydrophobicContact CB-CE1 3.78Å; F428-Y462 AromaticContact CD2-CD1 3.5Å; F428-Y462 HydrophobicContact CD2-CD1 3.5Å; F428-Y462 HydrophobicContact CD2-CD2 4.29Å; F428-Y462 AromaticContact CD2-CE1 3.94Å; F428-Y462 HydrophobicContact CD2-CE1 3.94Å; F428-Y462 AromaticContact CD2-CG 3.71Å; F428-Y462 HydrophobicContact CD2-CG 3.71Å; F428-Y462 HydrophobicContact CE2-CD1 4.19Å; F428-Y462 HydrophobicContact CE2-CG 4.23Å; F428-Y462 HydrophobicContact CG-CD1 4.15Å; F428-Y462 HydrophobicContact CG-CE1 4.19Å; F441-Y462 HydrophobicContact CE2-CE1 4.18Å; V444-Y462 HydrophobicContact CG2-CD1 4.3Å; V446-Y462 HydrophobicContact CG2-CD1 3.97Å; V446-Y462 HydrophobicContact CG2-CE1 4.08Å; I460-Y462 HydrophobicContact CB-CE2 4.41Å; I460-Y462 HydrophobicContact CG2-CE1 4.19Å; I460-Y462 HydrophobicContact CG2-CE2 3.91Å; Y462-T478 CarbonylContact O-C 3.55Å; Y462-T478 WeakPolarHBondContact O-CA 3.42Å; Y462-A479 HydrophobicContact CD2-CB 4.47Å; Y462-A479 PolarHBondContact N-O 3.31Å; Y462-A479 PolarHBondContact O-N 2.86Å; Y462-A481 HydrophobicContact CE2-CB 3.93Å
463	T	94.6	Very high	83.2	Confident	23 Å²	23	80.1 Å²	80.1	14%	0.141	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.1	177.9	-54.3	0	0	0	0	110.9	V444 S445 N465 A477 T478	V444-T463 WeakPolarHBondContact CA-O 3.15Å; S445-T463 PolarHBondContact N-O 3.26Å; S445-T463 PolarHBondContact O-N 3.31Å; S445-T463 PolarHBondContact OG-O 2.74Å; T463-N465 WeakPolarHBondContact CG2-ND2 3.19Å; T463-A477 WeakPolarHBondContact CA-O 3.28Å; T463-T478 HydrophobicContact CG2-CG2 3.98Å
464	Y	92.8	Very high	82.2	Confident	19 Å²	19	76.8 Å²	76.8	8%	0.075	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.5	169.9	175.3	-105.9	0	0	0	110.3	A407 D433 I439 D443 R466 H476 A477	A407-Y464 HydrophobicContact CB-CD1 3.91Å; A407-Y464 HydrophobicContact CB-CE1 4.11Å; D433-Y464 HydrophobicContact CB-CE1 4.46Å; I439-Y464 HydrophobicContact CB-CD2 4.47Å; I439-Y464 HydrophobicContact CD1-CD1 3.69Å; I439-Y464 HydrophobicContact CD1-CD2 3.92Å; I439-Y464 HydrophobicContact CD1-CE1 3.87Å; I439-Y464 HydrophobicContact CD1-CE2 4.08Å; I439-Y464 HydrophobicContact CD1-CG 3.69Å; I439-Y464 HydrophobicContact CG1-CD2 4.11Å; I439-Y464 HydrophobicContact CG1-CE1 4.48Å; I439-Y464 HydrophobicContact CG1-CE2 3.97Å; I439-Y464 HydrophobicContact CG1-CG 4.4Å; I439-Y464 HydrophobicContact CG2-CD2 3.5Å; I439-Y464 HydrophobicContact CG2-CE2 3.93Å; I439-Y464 HydrophobicContact CG2-CG 4.13Å; D443-Y464 HydrophobicContact CB-CD2 4.19Å; D443-Y464 HydrophobicContact CB-CE2 4.2Å; Y464-R466 HydrophobicContact CE1-CB 3.91Å; Y464-H476 WeakPolarHBondContact O-CA 3.5Å; Y464-H476 PolarHBondContact O-ND1 3.32Å; Y464-A477 PolarHBondContact N-O 3.41Å; Y464-A477 PolarHBondContact O-N 3.13Å
465	N	88	Confident	81.8	Confident	39 Å²	39	71.9 Å²	71.9	21%	0.209	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	111.2	167.8	-60.3	-82.1	0	0	0	108.1	T463 V467 H476	T463-N465 WeakPolarHBondContact CG2-ND2 3.19Å; N465-V467 PolarHBondContact O-N 2.9Å; N465-H476 PolarHBondContact OD1-ND1 3.44Å
466	R	78.9	Confident	81.9	Confident	118 Å²	118	70.9 Å²	70.9	45%	0.445	36%	0.358	S	S	.	.	S	Bend	trans	-54.7	-27.4	-178.6	-170.1	179.7	178.9	-159.5	0.4	114.1	Y464 D475	Y464-R466 HydrophobicContact CE1-CB 3.91Å; R466-D475 HydrophobicContact CB-CB 3.98Å; R466-D475 WeakPolarHBondContact CD-OD1 3.5Å; R466-D475 IonicContact CZ-OD1 2.63Å; R466-D475 PolarHBondContact N-O 2.97Å; R466-D475 VanDerWaalsContact N-O 3.16Å; R466-D475 IonicContact NE-OD1 3.76Å; R466-D475 IonicContact NH1-OD1 3.09Å; R466-D475 PolarHBondContact NH1-OD1 2.86Å
467	V	74.7	Confident	82	Confident	76 Å²	76	70.1 Å²	70.1	46%	0.461	35%	0.349	S	S	.	.	S	Bend	trans	-124.9	117.4	167.4	178.8	0	0	0	0	108.3	N465 N469 R470	N465-V467 PolarHBondContact O-N 2.9Å; V467-N469 PolarHBondContact O-N 3.14Å; V467-R470 HydrophobicContact CB-CB 4.02Å; V467-R470 HydrophobicContact CG1-CB 3.77Å; V467-R470 PolarHBondContact O-N 3.42Å
468	P	67.8	Low	82.1	Confident	106 Å²	106	70.1 Å²	70.1	69%	0.688	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	134.4	178.3	-30.2	36.3	0	0	0	112.7	R470	P468-R470 PolarHBondContact O-N 3.17Å
469	N	64.2	Low	82.1	Confident	172 Å²	172	68.6 Å²	68.6	92%	0.92	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	18.8	-176.3	-56.3	-35.3	0	0	0	115.7	V467	V467-N469 PolarHBondContact O-N 3.14Å
470	R	65.1	Low	82.2	Confident	149 Å²	149	68.5 Å²	68.5	56%	0.562	35%	0.35	S	S	*	.			trans	-133.6	89.3	177.4	-153.8	-175.4	-151.6	-165.1	7.4	111.7	V467 P468 W472	V467-R470 HydrophobicContact CB-CB 4.02Å; V467-R470 HydrophobicContact CG1-CB 3.77Å; V467-R470 PolarHBondContact O-N 3.42Å; P468-R470 PolarHBondContact O-N 3.17Å; R470-W472 PolarHBondContact O-N 2.69Å
471	I	60.1	Low	82.1	Confident	127 Å²	127	68.5 Å²	68.5	65%	0.651	35%	0.351	S	S	*	.			trans	-69.6	112.4	175.3	-54.4	174.9	0	0	0	108.8	H476	I471-H476 HydrophobicContact CG2-CB 4.11Å
472	W	61.5	Low	82.1	Confident	144 Å²	144	68.4 Å²	68.4	55%	0.545	35%	0.35	S	S	.	.			trans	-106.9	145.2	164.4	-80.7	19.5	0	0	0	108.3	R470 G474 D475	R470-W472 PolarHBondContact O-N 2.69Å; W472-G474 PolarHBondContact O-N 2.95Å; W472-D475 HydrophobicContact CB-CB 4.08Å; W472-D475 PolarHBondContact O-N 2.92Å
473	T	66.6	Low	82	Confident	121 Å²	121	68.4 Å²	68.4	74%	0.742	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	132.7	176.9	42.8	0	0	0	0	109.6	R404 D475	R404-T473 PolarHBondContact NH2-O 2.85Å; T473-D475 PolarHBondContact O-N 2.87Å; T473-D475 VanDerWaalsContact O-N 3.17Å
474	G	70.5	Confident	81.9	Confident	18 Å²	18	67.8 Å²	67.8	19%	0.186	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-24.7	-176.1	0	0	0	0	0	115.9	V406 A407 P434 W472 H476	V406-G474 CarbonylContact C-O 3.51Å; A407-G474 WeakPolarHBondContact CB-O 3.49Å; A407-G474 PolarHBondContact N-O 3.09Å; P434-G474 WeakPolarHBondContact CG-O 3.33Å; W472-G474 PolarHBondContact O-N 2.95Å; G474-H476 VanDerWaalsContact C-N 3.28Å; G474-H476 PolarHBondContact O-N 3Å
475	D	82.5	Confident	81.9	Confident	9 Å²	9	67 Å²	67	5%	0.048	34%	0.343	C	S	.	.	S	Bend	trans	-91.2	16.9	177	-60.2	-93.9	0	0	0	113.3	R404 R466 W472 T473	R404-D475 IonicContact CZ-OD2 2.62Å; R404-D475 IonicContact NH1-OD1 3.28Å; R404-D475 IonicContact NH1-OD2 2.65Å; R404-D475 PolarHBondContact NH1-OD2 2.98Å; R404-D475 IonicContact NH2-OD2 3.98Å; R466-D475 HydrophobicContact CB-CB 3.98Å; R466-D475 WeakPolarHBondContact CD-OD1 3.5Å; R466-D475 IonicContact CZ-OD1 2.63Å; R466-D475 PolarHBondContact N-O 2.97Å; R466-D475 VanDerWaalsContact N-O 3.16Å; R466-D475 IonicContact NE-OD1 3.76Å; R466-D475 IonicContact NH1-OD1 3.09Å; R466-D475 PolarHBondContact NH1-OD1 2.86Å; W472-D475 HydrophobicContact CB-CB 4.08Å; W472-D475 PolarHBondContact O-N 2.92Å; T473-D475 PolarHBondContact O-N 2.87Å; T473-D475 VanDerWaalsContact O-N 3.17Å
476	H	88.4	Confident	81.8	Confident	64 Å²	64	66.2 Å²	66.2	30%	0.296	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.5	-178.4	168.6	84.9	0	0	0	110.2	Y464 N465 I471 G474	Y464-H476 WeakPolarHBondContact O-CA 3.5Å; Y464-H476 PolarHBondContact O-ND1 3.32Å; N465-H476 PolarHBondContact OD1-ND1 3.44Å; I471-H476 HydrophobicContact CG2-CB 4.11Å; G474-H476 VanDerWaalsContact C-N 3.28Å; G474-H476 PolarHBondContact O-N 3Å
477	A	92	Very high	82.2	Confident	9 Å²	9	62.3 Å²	62.3	7%	0.074	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.4	177.7	0	0	0	0	0	111.5	A407 L409 T463 Y464	A407-A477 HydrophobicContact CB-CB 3.77Å; A407-A477 WeakPolarHBondContact O-CB 3.44Å; L409-A477 HydrophobicContact CB-CB 4.4Å; L409-A477 HydrophobicContact CG-CB 3.97Å; T463-A477 WeakPolarHBondContact CA-O 3.28Å; Y464-A477 PolarHBondContact N-O 3.41Å; Y464-A477 PolarHBondContact O-N 3.13Å
478	T	93.8	Very high	82.4	Confident	82 Å²	82	63 Å²	63	50%	0.503	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.2	174.6	56.3	0	0	0	0	111.3	Y462 T463	Y462-T478 CarbonylContact O-C 3.55Å; Y462-T478 WeakPolarHBondContact O-CA 3.42Å; T463-T478 HydrophobicContact CG2-CG2 3.98Å
479	A	96.4	Very high	83.1	Confident	12 Å²	12	67 Å²	67	10%	0.099	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.4	168.5	0	0	0	0	0	110.3	L409 A411 T461 Y462	L409-A479 HydrophobicContact CB-CB 3.64Å; A411-A479 HydrophobicContact CB-CB 3.89Å; T461-A479 WeakPolarHBondContact CA-O 3.23Å; Y462-A479 HydrophobicContact CD2-CB 4.47Å; Y462-A479 PolarHBondContact N-O 3.31Å; Y462-A479 PolarHBondContact O-N 2.86Å
480	K	96.9	Very high	83.8	Confident	117 Å²	117	62.9 Å²	62.9	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.8	177.6	-79.8	-168	164.9	-161.4	0	111.2	E459 I460 T461	E459-K480 IonicContact OE1-NZ 2.71Å; E459-K480 PolarHBondContact OE1-NZ 2.77Å; E459-K480 IonicContact OE2-NZ 3.64Å; I460-K480 CarbonylContact O-C 3.6Å; I460-K480 VanDerWaalsContact O-CA 3.31Å; I460-K480 WeakPolarHBondContact O-CA 3.17Å; T461-K480 HydrophobicContact CG2-CG 4.34Å; T461-K480 WeakPolarHBondContact OG1-CE 3.36Å
481	A	96.2	Very high	84.7	Confident	1 Å²	1	64 Å²	64	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.7	169.2	0	0	0	0	0	110.4	A411 H412 N427 I460 Y462	A411-A481 HydrophobicContact CB-CB 4.28Å; H412-A481 WeakPolarHBondContact O-CB 3.37Å; N427-A481 HydrophobicContact CB-CB 3.75Å; I460-A481 PolarHBondContact N-O 2.74Å; I460-A481 PolarHBondContact O-N 3.38Å; Y462-A481 HydrophobicContact CE2-CB 3.93Å
482	T	95.8	Very high	85.9	Confident	31 Å²	31	59.3 Å²	59.3	19%	0.19	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119	171.4	-43.9	0	0	0	0	109.2	D413 S414 K457 Y458	D413-T482 WeakPolarHBondContact CA-O 3.13Å; D413-T482 VanDerWaalsContact CG-CB 3.49Å; D413-T482 WeakPolarHBondContact OD1-CB 3.25Å; D413-T482 PolarHBondContact OD1-N 3Å; D413-T482 PolarHBondContact OD1-OG1 2.81Å; D413-T482 WeakPolarHBondContact OD2-CB 3.38Å; D413-T482 PolarHBondContact OD2-OG1 2.9Å; S414-T482 PolarHBondContact N-O 2.84Å; K457-T482 HydrophobicContact CB-CG2 3.9Å; K457-T482 HydrophobicContact CD-CG2 3.83Å; K457-T482 HydrophobicContact CG-CG2 3.92Å; Y458-T482 WeakPolarHBondContact O-CA 3.42Å
483	V	95.2	Very high	87.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.5	173.2	-173.1	0	0	0	0	108.3	I416 W422 V450 K457 Y458 I460	I416-V483 HydrophobicContact CD1-CG1 4.01Å; I416-V483 HydrophobicContact CG1-CG1 4.23Å; I416-V483 HydrophobicContact CG2-CG1 4.46Å; W422-V483 HydrophobicContact CD2-CG2 4.4Å; W422-V483 HydrophobicContact CG-CG1 4.26Å; W422-V483 HydrophobicContact CZ2-CG2 3.67Å; V450-V483 HydrophobicContact CG1-CB 4.43Å; V450-V483 HydrophobicContact CG1-CG1 3.93Å; V450-V483 HydrophobicContact CG2-CB 3.91Å; V450-V483 HydrophobicContact CG2-CG1 4.09Å; V450-V483 HydrophobicContact CG2-CG2 3.95Å; K457-V483 WeakPolarHBondContact CA-O 3.38Å; Y458-V483 PolarHBondContact N-O 3.19Å; Y458-V483 PolarHBondContact O-N 2.67Å; I460-V483 HydrophobicContact CG1-CG2 3.97Å
484	T	93.1	Very high	88.6	Confident	10 Å²	10	51.2 Å²	51.2	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.9	-176.6	-49.9	0	0	0	0	110	S414 T415 I416 K457 I486	S414-T484 PolarHBondContact O-N 2.57Å; T415-T484 CarbonylContact C-O 3.53Å; T415-T484 VanDerWaalsContact CA-O 3.26Å; T415-T484 WeakPolarHBondContact CA-O 3.3Å; I416-T484 PolarHBondContact N-O 3.03Å; K457-T484 VanDerWaalsContact CE-OG1 3.27Å; K457-T484 WeakPolarHBondContact CE-OG1 3.48Å; K457-T484 HydrophobicContact CG-CG2 3.91Å; T484-I486 HydrophobicContact CG2-CG2 4Å
485	V	92.5	Very high	89.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.9	177.8	-173.7	0	0	0	0	109.1	I416 V418 V450 K454 V455 G456 Y458	I416-V485 HydrophobicContact CD1-CG2 4.05Å; I416-V485 HydrophobicContact CG1-CB 4.41Å; I416-V485 HydrophobicContact CG1-CG1 4.48Å; I416-V485 HydrophobicContact CG1-CG2 3.94Å; I416-V485 CarbonylContact O-C 3.56Å; I416-V485 WeakPolarHBondContact O-CA 3.35Å; V418-V485 HydrophobicContact CG2-CG1 3.84Å; V450-V485 HydrophobicContact CG1-CG2 3.86Å; K454-V485 VanDerWaalsContact O-CB 3.3Å; K454-V485 WeakPolarHBondContact O-CB 3.36Å; K454-V485 VanDerWaalsContact O-CG1 3.28Å; K454-V485 WeakPolarHBondContact O-CG1 3.38Å; V455-V485 WeakPolarHBondContact CA-O 3.44Å; V455-V485 WeakPolarHBondContact CG1-O 3.26Å; G456-V485 PolarHBondContact N-O 2.87Å; G456-V485 PolarHBondContact O-N 2.89Å; Y458-V485 HydrophobicContact CD2-CG2 3.79Å; Y458-V485 HydrophobicContact CE2-CB 4.22Å; Y458-V485 HydrophobicContact CE2-CG2 3.56Å
486	I	86.7	Confident	90.6	Very high	24 Å²	24	51.2 Å²	51.2	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.8	-176.2	62.9	163.4	0	0	0	113.4	T415 I416 S417 V418 T484 T488 L517	T415-I486 HydrophobicContact CG2-CB 4.5Å; T415-I486 HydrophobicContact CG2-CD1 3.62Å; T415-I486 HydrophobicContact CG2-CG1 3.74Å; T415-I486 HydrophobicContact CG2-CG2 3.96Å; I416-I486 WeakPolarHBondContact O-CG1 3.34Å; I416-I486 PolarHBondContact O-N 3.03Å; S417-I486 CarbonylContact C-O 3.56Å; S417-I486 WeakPolarHBondContact CA-O 3.35Å; V418-I486 PolarHBondContact N-O 3.39Å; T484-I486 HydrophobicContact CG2-CG2 4Å; I486-T488 HydrophobicContact CD1-CG2 3.83Å; I486-T488 HydrophobicContact CG1-CG2 4.01Å; I486-L517 HydrophobicContact CB-CD2 4.09Å; I486-L517 HydrophobicContact CB-CG 4.19Å; I486-L517 HydrophobicContact CG2-CG 4.29Å
487	D	86.8	Confident	91	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.193	25%	0.247	C	C	.	.			trans	-96.6	92.3	177.8	-179.5	-15.6	0	0	0	109.2	V418 V455 E489 K490 L517	V418-D487 HydrophobicContact CG2-CB 4.29Å; V455-D487 HydrophobicContact CG2-CB 3.64Å; D487-E489 PolarHBondContact O-N 2.95Å; D487-E489 PolarHBondContact OD1-N 3.11Å; D487-K490 HydrophobicContact CB-CD 4.32Å; D487-K490 WeakPolarHBondContact O-CB 3.44Å; D487-K490 PolarHBondContact O-N 3.12Å; D487-K490 WeakPolarHBondContact OD2-CD 3.27Å; D487-K490 WeakPolarHBondContact OD2-CE 3.48Å; D487-K490 IonicContact OD2-NZ 3.84Å; D487-K490 PolarHBondContact OD2-NZ 3.04Å; D487-L517 WeakPolarHBondContact O-CD2 3.3Å
488	T	79.3	Confident	91.2	Very high	91 Å²	91	49.8 Å²	49.8	56%	0.558	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.4	-170.7	50.4	0	0	0	0	114.4	I486 K490	I486-T488 HydrophobicContact CD1-CG2 3.83Å; I486-T488 HydrophobicContact CG1-CG2 4.01Å; T488-K490 PolarHBondContact O-N 3.39Å
489	E	81.3	Confident	91.4	Very high	188 Å²	188	46.1 Å²	46.1	88%	0.879	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.4	168.7	-61.5	-163.3	163.6	0	0	112	D487	D487-E489 PolarHBondContact O-N 2.95Å; D487-E489 PolarHBondContact OD1-N 3.11Å
490	K	79.8	Confident	91.4	Very high	86 Å²	86	46.1 Å²	46.1	37%	0.374	23%	0.229	S	C	.	.	S	Bend	trans	-98.1	151.6	-178.5	-62.1	-176.7	-171.4	146.8	0	112.5	D487 T488 D552	D487-K490 HydrophobicContact CB-CD 4.32Å; D487-K490 WeakPolarHBondContact O-CB 3.44Å; D487-K490 PolarHBondContact O-N 3.12Å; D487-K490 WeakPolarHBondContact OD2-CD 3.27Å; D487-K490 WeakPolarHBondContact OD2-CE 3.48Å; D487-K490 IonicContact OD2-NZ 3.84Å; D487-K490 PolarHBondContact OD2-NZ 3.04Å; T488-K490 PolarHBondContact O-N 3.39Å; K490-D552 HydrophobicContact CB-CB 4.14Å; K490-D552 HydrophobicContact CD-CB 3.52Å; K490-D552 VanDerWaalsContact CD-OD2 3.23Å; K490-D552 WeakPolarHBondContact CD-OD2 3.41Å; K490-D552 WeakPolarHBondContact CE-OD2 3.49Å; K490-D552 HydrophobicContact CG-CB 4.47Å; K490-D552 IonicContact NZ-OD2 3.73Å; K490-D552 PolarHBondContact NZ-OD2 2.94Å
491	K	82.4	Confident	91.3	Very high	172 Å²	172	41.6 Å²	41.6	75%	0.748	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-100.6	131.4	176.4	-62.9	-172	179	-174.7	0	110.6	Q493	K491-Q493 PolarHBondContact O-N 2.77Å; K491-Q493 PolarHBondContact O-NE2 3.2Å
492	A	85.9	Confident	91	Very high	29 Å²	29	45.3 Å²	45.3	24%	0.24	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-49.9	129.2	170.5	0	0	0	0	0	111	G515 L517 F550	A492-G515 WeakPolarHBondContact CB-O 3.08Å; A492-L517 HydrophobicContact CB-CB 4.19Å; A492-L517 HydrophobicContact CB-CD1 4.28Å; A492-F550 HydrophobicContact CB-CB 4.27Å
493	Q	90.8	Very high	90.8	Very high	70 Å²	70	48.1 Å²	48.1	33%	0.327	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-93.8	149.2	172.9	-61.3	-53.4	-56.4	0	0	109.9	K491 S551 D552 K553 T554	K491-Q493 PolarHBondContact O-N 2.77Å; K491-Q493 PolarHBondContact O-NE2 3.2Å; Q493-S551 PolarHBondContact N-O 3.24Å; Q493-D552 WeakPolarHBondContact CG-O 3.17Å; Q493-K553 VanDerWaalsContact CB-C 3.42Å; Q493-T554 VanDerWaalsContact CB-N 3.34Å
494	P	95.1	Very high	90.6	Very high	26 Å²	26	50.5 Å²	50.5	17%	0.169	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.6	156	-177.1	27	-34.5	0	0	0	112.8	I496 V512 V513 K514 T554 Q555	P494-I496 HydrophobicContact CG-CG1 4.45Å; P494-V512 HydrophobicContact CB-CG1 3.59Å; P494-V512 HydrophobicContact CG-CG1 4.11Å; P494-V513 CarbonylContact C-O 3.59Å; P494-V513 WeakPolarHBondContact CA-O 2.88Å; P494-V513 WeakPolarHBondContact CB-O 3.25Å; P494-K514 HydrophobicContact CB-CG 4.16Å; P494-T554 HydrophobicContact CG-CG2 4.48Å; P494-Q555 PolarHBondContact O-N 3.11Å
495	V	96.6	Very high	90.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.8	159.8	176.7	0	0	0	0	107.1	V497 V513 F521 F550 Q555 V557	V495-V497 HydrophobicContact CG1-CG2 4.44Å; V495-V513 HydrophobicContact CB-CB 4.35Å; V495-V513 PolarHBondContact N-O 2.88Å; V495-V513 PolarHBondContact O-N 3.36Å; V495-F521 HydrophobicContact CG1-CD2 4.3Å; V495-F521 HydrophobicContact CG1-CE2 4.1Å; V495-F521 HydrophobicContact CG1-CZ 4.4Å; V495-F521 HydrophobicContact CG2-CD1 3.55Å; V495-F521 HydrophobicContact CG2-CD2 4.11Å; V495-F521 HydrophobicContact CG2-CE1 3.56Å; V495-F521 HydrophobicContact CG2-CE2 4.13Å; V495-F521 HydrophobicContact CG2-CG 3.83Å; V495-F521 HydrophobicContact CG2-CZ 3.86Å; V495-F550 HydrophobicContact CB-CE1 4.13Å; V495-F550 HydrophobicContact CG2-CD1 3.87Å; V495-F550 HydrophobicContact CG2-CE1 3.58Å; V495-F550 HydrophobicContact CG2-CZ 4.35Å; V495-Q555 CarbonylContact C-O 3.55Å; V495-Q555 WeakPolarHBondContact CA-O 3.44Å; V495-Q555 HydrophobicContact CG2-CB 4.17Å; V495-V557 HydrophobicContact CG1-CG2 3.75Å
496	I	96.7	Very high	90.6	Very high	26 Å²	26	60.7 Å²	60.7	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.4	178.7	-55.9	-178.5	0	0	0	108.3	P494 K498 E510 T554 Q555 I556 V557	P494-I496 HydrophobicContact CG-CG1 4.45Å; I496-K498 HydrophobicContact CG2-CG 3.92Å; I496-E510 HydrophobicContact CG2-CB 4.04Å; I496-E510 VanDerWaalsContact CG2-CD 3.47Å; I496-E510 HydrophobicContact CG2-CG 4.02Å; I496-E510 VanDerWaalsContact CG2-OE1 3.26Å; I496-E510 WeakPolarHBondContact CG2-OE1 3.42Å; I496-T554 HydrophobicContact CD1-CG2 3.55Å; I496-T554 HydrophobicContact CG1-CG2 3.87Å; I496-Q555 PolarHBondContact N-O 2.94Å; I496-I556 WeakPolarHBondContact O-CA 3.22Å; I496-V557 PolarHBondContact O-N 3.32Å
497	V	97.2	Very high	90.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.4	175.3	-169.9	0	0	0	0	108.9	V495 Y499 E510 K511 V513 V523 Y528 V557 Y559	V495-V497 HydrophobicContact CG1-CG2 4.44Å; V497-Y499 HydrophobicContact CG1-CE1 3.8Å; V497-E510 CarbonylContact O-C 3.51Å; V497-E510 VanDerWaalsContact O-CA 3.26Å; V497-E510 WeakPolarHBondContact O-CA 3.19Å; V497-E510 WeakPolarHBondContact O-CB 3.49Å; V497-K511 HydrophobicContact CB-CB 4.29Å; V497-K511 PolarHBondContact N-O 3.09Å; V497-K511 PolarHBondContact O-N 2.63Å; V497-V513 HydrophobicContact CG2-CG2 4.2Å; V497-V523 HydrophobicContact CG2-CB 4Å; V497-V523 HydrophobicContact CG2-CG1 3.86Å; V497-V523 HydrophobicContact CG2-CG2 4.12Å; V497-Y528 HydrophobicContact CG2-CD1 3.91Å; V497-Y528 HydrophobicContact CG2-CE1 4.38Å; V497-V557 CarbonylContact C-O 3.58Å; V497-V557 VanDerWaalsContact CA-O 3.32Å; V497-V557 WeakPolarHBondContact CA-O 3.23Å; V497-V557 HydrophobicContact CG2-CB 4.47Å; V497-Y559 HydrophobicContact CG1-CD2 3.65Å; V497-Y559 HydrophobicContact CG1-CE2 3.91Å
498	K	97.2	Very high	91.3	Very high	44 Å²	44	63.1 Å²	63.1	19%	0.191	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142	-178.5	-61.9	-176.1	-172.4	-79	0	110.7	I496 E510 I556 V557 T558 Y559	I496-K498 HydrophobicContact CG2-CG 3.92Å; K498-E510 HydrophobicContact CG-CB 4.27Å; K498-E510 IonicContact NZ-OE1 3.45Å; K498-E510 PolarHBondContact NZ-OE1 2.92Å; K498-E510 IonicContact NZ-OE2 2.6Å; K498-E510 PolarHBondContact NZ-OE2 2.84Å; K498-I556 HydrophobicContact CD-CG2 3.77Å; K498-I556 HydrophobicContact CG-CG2 4.16Å; K498-V557 PolarHBondContact N-O 3.49Å; K498-T558 WeakPolarHBondContact O-CA 3.33Å; K498-Y559 PolarHBondContact O-N 2.79Å
499	Y	97.3	Very high	92	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.5	-178.8	-53.1	-67.6	0	0	0	109.3	V497 I506 I507 H508 E509 K511 Y528 P530 I532 Y559 Y561	V497-Y499 HydrophobicContact CG1-CE1 3.8Å; Y499-I506 WeakPolarHBondContact O-CA 3.4Å; Y499-I507 WeakPolarHBondContact O-CG1 3.23Å; Y499-I507 PolarHBondContact O-N 3.13Å; Y499-H508 HydrophobicContact CD2-CB 3.98Å; Y499-H508 AromaticContact CD2-ND1 3.68Å; Y499-H508 AromaticContact CE2-ND1 3.95Å; Y499-H508 HydrophobicContact CG-CB 4.16Å; Y499-E509 WeakPolarHBondContact CD2-O 3.35Å; Y499-E509 WeakPolarHBondContact CE2-O 3.16Å; Y499-K511 HydrophobicContact CE2-CB 4.34Å; Y499-Y528 VanDerWaalsContact CE1-O 3.26Å; Y499-Y528 WeakPolarHBondContact CE1-O 3.32Å; Y499-Y528 PolarHBondContact OH-O 2.98Å; Y499-P530 HydrophobicContact CD1-CG 4.22Å; Y499-P530 HydrophobicContact CE1-CG 3.96Å; Y499-P530 HydrophobicContact CE2-CG 4.33Å; Y499-I532 HydrophobicContact CG-CD1 4.38Å; Y499-Y559 HydrophobicContact CE1-CD2 4.34Å; Y499-Y561 HydrophobicContact CD1-CE2 4.01Å
500	V	96.9	Very high	92.7	Very high	13 Å²	13	60.9 Å²	60.9	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.5	-171.7	-58.8	0	0	0	0	113.1	K505 I506 T558 Y559 V560 Y561	V500-K505 CarbonylContact C-O 3.6Å; V500-K505 WeakPolarHBondContact CA-O 3.4Å; V500-K505 WeakPolarHBondContact CB-O 3.37Å; V500-I506 HydrophobicContact CG1-CG1 4.39Å; V500-T558 HydrophobicContact CB-CG2 4.49Å; V500-T558 HydrophobicContact CG1-CG2 4.25Å; V500-T558 HydrophobicContact CG2-CG2 3.43Å; V500-T558 VanDerWaalsContact CG2-CG2 3.43Å; V500-Y559 PolarHBondContact N-O 3.23Å; V500-V560 HydrophobicContact CG2-CG2 4.05Å; V500-V560 CarbonylContact O-C 3.56Å; V500-V560 WeakPolarHBondContact O-CA 3.36Å; V500-Y561 PolarHBondContact O-N 3.33Å
501	D	94.1	Very high	93.4	Very high	22 Å²	22	60 Å²	60	12%	0.118	32%	0.322	C	S	.	.			trans	-75.4	173.6	162.4	72.3	15.8	0	0	0	111.2	A503 G504 K505 I507 Y535	D501-A503 PolarHBondContact O-N 3.26Å; D501-A503 VanDerWaalsContact O-N 3.08Å; D501-A503 WeakPolarHBondContact OD1-CA 3.27Å; D501-A503 WeakPolarHBondContact OD1-CB 3.3Å; D501-A503 PolarHBondContact OD1-N 3.36Å; D501-G504 PolarHBondContact O-N 2.77Å; D501-G504 PolarHBondContact OD1-N 2.9Å; D501-G504 VanDerWaalsContact OD1-N 3.15Å; D501-K505 PolarHBondContact N-O 3.11Å; D501-K505 WeakPolarHBondContact OD1-CB 3.37Å; D501-K505 PolarHBondContact OD1-N 2.78Å; D501-I507 HydrophobicContact CB-CG2 3.97Å; D501-Y535 HydrophobicContact CB-CE1 3.91Å
502	P	91	Very high	94.1	Very high	78 Å²	78	55.3 Å²	55.3	51%	0.506	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.2	-178.1	-18	34.7	0	0	0	113.9	V560 Y561 Q562	P502-V560 HydrophobicContact CB-CG1 4.38Å; P502-V560 HydrophobicContact CG-CG1 4.29Å; P502-Y561 VanDerWaalsContact CD-O 3.26Å; P502-Y561 WeakPolarHBondContact CD-O 3.26Å; P502-Q562 HydrophobicContact CG-CG 4.26Å
503	A	91.3	Very high	94.5	Very high	91 Å²	91	55.1 Å²	55.1	75%	0.752	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	2.4	170.5	0	0	0	0	0	112.4	D501 K505	D501-A503 PolarHBondContact O-N 3.26Å; D501-A503 VanDerWaalsContact O-N 3.08Å; D501-A503 WeakPolarHBondContact OD1-CA 3.27Å; D501-A503 WeakPolarHBondContact OD1-CB 3.3Å; D501-A503 PolarHBondContact OD1-N 3.36Å; A503-K505 VanDerWaalsContact C-N 3.34Å
504	G	90.1	Very high	94.7	Very high	50 Å²	50	59.8 Å²	59.8	52%	0.515	32%	0.322	S	S	.	.	S	Bend	trans	81.2	7.9	178.4	0	0	0	0	0	114.6	D501	D501-G504 PolarHBondContact O-N 2.77Å; D501-G504 PolarHBondContact OD1-N 2.9Å; D501-G504 VanDerWaalsContact OD1-N 3.15Å
505	K	92.5	Very high	94.5	Very high	131 Å²	131	60.1 Å²	60.1	57%	0.57	33%	0.33	S	S	*	.			trans	-77.5	133.8	176.4	174.6	-162.8	167.3	-162.8	0	109.4	V500 D501 A503 I507	V500-K505 CarbonylContact C-O 3.6Å; V500-K505 WeakPolarHBondContact CA-O 3.4Å; V500-K505 WeakPolarHBondContact CB-O 3.37Å; D501-K505 PolarHBondContact N-O 3.11Å; D501-K505 WeakPolarHBondContact OD1-CB 3.37Å; D501-K505 PolarHBondContact OD1-N 2.78Å; A503-K505 VanDerWaalsContact C-N 3.34Å; K505-I507 PolarHBondContact O-N 3.34Å
506	I	93.8	Very high	94	Very high	93 Å²	93	67.3 Å²	67.3	48%	0.477	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129.8	175.8	-58.7	174.8	0	0	0	110.1	Y499 V500 H508	Y499-I506 WeakPolarHBondContact O-CA 3.4Å; V500-I506 HydrophobicContact CG1-CG1 4.39Å; I506-H508 VanDerWaalsContact CG2-O 3.23Å; I506-H508 WeakPolarHBondContact CG2-O 3.23Å
507	I	94	Very high	93.4	Very high	34 Å²	34	67.4 Å²	67.4	17%	0.174	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-12.7	-176.8	54.3	169	0	0	0	114.2	Y499 D501 K505 I532 Y535 Y561	Y499-I507 WeakPolarHBondContact O-CG1 3.23Å; Y499-I507 PolarHBondContact O-N 3.13Å; D501-I507 HydrophobicContact CB-CG2 3.97Å; K505-I507 PolarHBondContact O-N 3.34Å; I507-I532 HydrophobicContact CD1-CD1 3.77Å; I507-I532 HydrophobicContact CD1-CG2 4.27Å; I507-I532 HydrophobicContact CG1-CD1 4.03Å; I507-Y535 HydrophobicContact CB-CE2 4.41Å; I507-Y535 HydrophobicContact CD1-CD1 3.73Å; I507-Y535 HydrophobicContact CD1-CD2 4.34Å; I507-Y535 HydrophobicContact CD1-CE1 4.14Å; I507-Y535 HydrophobicContact CD1-CG 3.85Å; I507-Y535 HydrophobicContact CG2-CE1 3.9Å; I507-Y535 HydrophobicContact CG2-CE2 4.15Å; I507-Y561 HydrophobicContact CD1-CD2 4.24Å; I507-Y561 HydrophobicContact CD1-CG 4.03Å
508	H	94.7	Very high	92.8	Very high	77 Å²	77	67.7 Å²	67.7	36%	0.356	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.8	176.5	-174.9	-75.3	0	0	0	109.5	Y499 I506 I532	Y499-H508 HydrophobicContact CD2-CB 3.98Å; Y499-H508 AromaticContact CD2-ND1 3.68Å; Y499-H508 AromaticContact CE2-ND1 3.95Å; Y499-H508 HydrophobicContact CG-CB 4.16Å; I506-H508 VanDerWaalsContact CG2-O 3.23Å; I506-H508 WeakPolarHBondContact CG2-O 3.23Å; H508-I532 HydrophobicContact CB-CD1 3.64Å; H508-I532 HydrophobicContact CB-CG1 4.01Å; H508-I532 HydrophobicContact CB-CG2 4.48Å
509	E	93.5	Very high	92.3	Very high	166 Å²	166	68.3 Å²	68.3	78%	0.776	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.9	176.2	-176.3	172.7	-164.4	0	0	111.5	Y499	Y499-E509 WeakPolarHBondContact CD2-O 3.35Å; Y499-E509 WeakPolarHBondContact CE2-O 3.16Å
510	E	96	Very high	91.9	Very high	67 Å²	67	72.6 Å²	72.6	31%	0.313	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.8	-177	61.2	-175.8	-134.5	0	0	112.6	I496 V497 K498	I496-E510 HydrophobicContact CG2-CB 4.04Å; I496-E510 VanDerWaalsContact CG2-CD 3.47Å; I496-E510 HydrophobicContact CG2-CG 4.02Å; I496-E510 VanDerWaalsContact CG2-OE1 3.26Å; I496-E510 WeakPolarHBondContact CG2-OE1 3.42Å; V497-E510 CarbonylContact O-C 3.51Å; V497-E510 VanDerWaalsContact O-CA 3.26Å; V497-E510 WeakPolarHBondContact O-CA 3.19Å; V497-E510 WeakPolarHBondContact O-CB 3.49Å; K498-E510 HydrophobicContact CG-CB 4.27Å; K498-E510 IonicContact NZ-OE1 3.45Å; K498-E510 PolarHBondContact NZ-OE1 2.92Å; K498-E510 IonicContact NZ-OE2 2.6Å; K498-E510 PolarHBondContact NZ-OE2 2.84Å
511	K	95	Very high	91.8	Very high	68 Å²	68	72.5 Å²	72.5	30%	0.296	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.3	-178.2	-168.2	173.2	169.5	-156.6	0	109.2	V497 Y499 E527 Y528	V497-K511 HydrophobicContact CB-CB 4.29Å; V497-K511 PolarHBondContact N-O 3.09Å; V497-K511 PolarHBondContact O-N 2.63Å; Y499-K511 HydrophobicContact CE2-CB 4.34Å; K511-E527 PolarHBondContact NZ-O 2.83Å; K511-E527 IonicContact NZ-OE1 2.82Å; K511-E527 PolarHBondContact NZ-OE1 2.63Å; K511-Y528 HydrophobicContact CD-CD1 3.59Å; K511-Y528 HydrophobicContact CD-CE1 3.55Å; K511-Y528 HydrophobicContact CG-CD1 4.36Å; K511-Y528 HydrophobicContact CG-CE1 4.15Å
512	V	95.8	Very high	91.8	Very high	73 Å²	73	75.1 Å²	75.1	44%	0.442	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.9	-178.5	-177.5	0	0	0	0	109.8	P494	P494-V512 HydrophobicContact CB-CG1 3.59Å; P494-V512 HydrophobicContact CG-CG1 4.11Å
513	V	95.7	Very high	92	Very high	24 Å²	24	71.4 Å²	71.4	15%	0.145	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.6	176.3	-160.1	0	0	0	0	109.5	P494 V495 V497 V523 Y528 F550	P494-V513 CarbonylContact C-O 3.59Å; P494-V513 WeakPolarHBondContact CA-O 2.88Å; P494-V513 WeakPolarHBondContact CB-O 3.25Å; V495-V513 HydrophobicContact CB-CB 4.35Å; V495-V513 PolarHBondContact N-O 2.88Å; V495-V513 PolarHBondContact O-N 3.36Å; V497-V513 HydrophobicContact CG2-CG2 4.2Å; V513-V523 HydrophobicContact CG2-CG1 3.9Å; V513-Y528 HydrophobicContact CG2-CD1 4.47Å; V513-Y528 HydrophobicContact CG2-CE1 3.52Å; V513-F550 HydrophobicContact CB-CZ 4.43Å; V513-F550 HydrophobicContact CG1-CZ 3.98Å
514	K	94.5	Very high	92.2	Very high	168 Å²	168	68.7 Å²	68.7	73%	0.73	36%	0.362	S	S	*	.			trans	-126.5	145.4	177.5	-65.2	173.9	-176.7	174.3	0	109	P494	P494-K514 HydrophobicContact CB-CG 4.16Å
515	G	89.9	Confident	92.2	Very high	33 Å²	33	67.8 Å²	67.8	34%	0.34	35%	0.353	S	S	.	.			trans	-153.1	-171.7	172.5	0	0	0	0	0	109.7	A492	A492-G515 WeakPolarHBondContact CB-O 3.08Å
516	E	87.1	Confident	92.1	Very high	151 Å²	151	68.1 Å²	68.1	71%	0.706	35%	0.354	S	S	*	.			trans	-91.2	162.2	-179.5	-63.2	-179.9	170.9	0	0	110.2	G518 T519 F550	E516-G518 PolarHBondContact O-N 2.8Å; E516-T519 HydrophobicContact CB-CG2 3.86Å; E516-T519 PolarHBondContact N-OG1 2.91Å; E516-T519 PolarHBondContact O-N 2.85Å; E516-T519 PolarHBondContact O-OG1 2.93Å; E516-T519 VanDerWaalsContact O-OG1 3.07Å; E516-F550 WeakPolarHBondContact O-CB 3.39Å
517	L	85.1	Confident	92	Very high	28 Å²	28	70 Å²	70	15%	0.147	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	129.3	-172.5	-171.4	66.3	0	0	0	110	I486 D487 A492 T519 S551	I486-L517 HydrophobicContact CB-CD2 4.09Å; I486-L517 HydrophobicContact CB-CG 4.19Å; I486-L517 HydrophobicContact CG2-CG 4.29Å; D487-L517 WeakPolarHBondContact O-CD2 3.3Å; A492-L517 HydrophobicContact CB-CB 4.19Å; A492-L517 HydrophobicContact CB-CD1 4.28Å; L517-T519 VanDerWaalsContact C-N 3.28Å; L517-T519 PolarHBondContact O-N 2.97Å; L517-S551 VanDerWaalsContact CD1-C 3.47Å
518	G	82.9	Confident	92	Very high	7 Å²	7	69.7 Å²	69.7	7%	0.072	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-16.9	-176.9	0	0	0	0	0	115.6	E516 F550	E516-G518 PolarHBondContact O-N 2.8Å; G518-F550 PolarHBondContact N-O 2.77Å
519	T	87	Confident	92	Very high	56 Å²	56	67.6 Å²	67.6	34%	0.344	35%	0.348	S	S	.	.			trans	-68.9	149.5	176.9	70.6	0	0	0	0	110.8	E516 L517 S549 F550	E516-T519 HydrophobicContact CB-CG2 3.86Å; E516-T519 PolarHBondContact N-OG1 2.91Å; E516-T519 PolarHBondContact O-N 2.85Å; E516-T519 PolarHBondContact O-OG1 2.93Å; E516-T519 VanDerWaalsContact O-OG1 3.07Å; L517-T519 VanDerWaalsContact C-N 3.28Å; L517-T519 PolarHBondContact O-N 2.97Å; T519-S549 CarbonylContact O-C 3.58Å; T519-S549 WeakPolarHBondContact O-CA 3.19Å; T519-F550 VanDerWaalsContact O-CD2 3.3Å; T519-F550 WeakPolarHBondContact O-CD2 3.18Å; T519-F550 PolarHBondContact O-N 3.22Å
520	D	90.3	Very high	92	Very high	94 Å²	94	61.1 Å²	61.1	50%	0.503	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	155.4	-179.3	-72.9	-29.3	0	0	0	113.4	K457 G548 S549	K457-D520 IonicContact NZ-OD1 2.75Å; K457-D520 PolarHBondContact NZ-OD1 2.76Å; K457-D520 IonicContact NZ-OD2 2.65Å; K457-D520 PolarHBondContact NZ-OD2 3.28Å; D520-G548 CarbonylContact C-O 3.58Å; D520-G548 VanDerWaalsContact CA-O 3.27Å; D520-G548 WeakPolarHBondContact CA-O 3.44Å; D520-S549 WeakPolarHBondContact OD1-CB 3.33Å; D520-S549 PolarHBondContact OD1-OG 3.4Å
521	F	93.5	Very high	91.7	Very high	12 Å²	12	63 Å²	63	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.3	168.8	69.4	-94.7	0	0	0	110	V495 V523 K547 G548 F550 V557	V495-F521 HydrophobicContact CG1-CD2 4.3Å; V495-F521 HydrophobicContact CG1-CE2 4.1Å; V495-F521 HydrophobicContact CG1-CZ 4.4Å; V495-F521 HydrophobicContact CG2-CD1 3.55Å; V495-F521 HydrophobicContact CG2-CD2 4.11Å; V495-F521 HydrophobicContact CG2-CE1 3.56Å; V495-F521 HydrophobicContact CG2-CE2 4.13Å; V495-F521 HydrophobicContact CG2-CG 3.83Å; V495-F521 HydrophobicContact CG2-CZ 3.86Å; F521-V523 HydrophobicContact CD2-CG1 4.17Å; F521-V523 HydrophobicContact CD2-CG2 4.25Å; F521-V523 HydrophobicContact CE2-CG2 4.29Å; F521-K547 WeakPolarHBondContact O-CA 3.44Å; F521-G548 VanDerWaalsContact CD1-O 3.23Å; F521-G548 WeakPolarHBondContact CD1-O 3.34Å; F521-G548 PolarHBondContact N-O 2.62Å; F521-G548 PolarHBondContact O-N 3.32Å; F521-F550 HydrophobicContact CB-CD2 4.45Å; F521-F550 HydrophobicContact CB-CE2 3.72Å; F521-F550 HydrophobicContact CB-CZ 3.78Å; F521-V557 HydrophobicContact CE2-CG2 4.27Å
522	D	95.1	Very high	91.6	Very high	76 Å²	76	60.3 Å²	60.3	41%	0.406	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	104.3	167.7	-172.6	-12	0	0	0	108.4	S524 K547	D522-S524 WeakPolarHBondContact OD1-CA 3.27Å; D522-S524 WeakPolarHBondContact OD1-CB 3.15Å; D522-S524 PolarHBondContact OD1-N 2.97Å; D522-S524 PolarHBondContact OD1-OG 2.57Å; D522-K547 HydrophobicContact CB-CD 4.44Å; D522-K547 HydrophobicContact CB-CG 4.43Å; D522-K547 WeakPolarHBondContact OD1-CE 3.32Å; D522-K547 IonicContact OD1-NZ 2.76Å; D522-K547 WeakPolarHBondContact OD2-CE 3.4Å; D522-K547 IonicContact OD2-NZ 3.76Å; D522-K547 PolarHBondContact OD2-NZ 3.4Å
523	V	95.5	Very high	91.3	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.358	C	S	.	.			trans	-102.3	16.4	173.6	-58.9	0	0	0	0	111.9	V497 V513 F521 Y528 S546 V557 Y559	V497-V523 HydrophobicContact CG2-CB 4Å; V497-V523 HydrophobicContact CG2-CG1 3.86Å; V497-V523 HydrophobicContact CG2-CG2 4.12Å; V513-V523 HydrophobicContact CG2-CG1 3.9Å; F521-V523 HydrophobicContact CD2-CG1 4.17Å; F521-V523 HydrophobicContact CD2-CG2 4.25Å; F521-V523 HydrophobicContact CE2-CG2 4.29Å; V523-Y528 VanDerWaalsContact CA-CD2 3.45Å; V523-Y528 HydrophobicContact CB-CD1 3.83Å; V523-Y528 HydrophobicContact CB-CD2 3.89Å; V523-Y528 HydrophobicContact CB-CE1 4.16Å; V523-Y528 HydrophobicContact CB-CE2 4.21Å; V523-Y528 HydrophobicContact CB-CG 3.71Å; V523-Y528 HydrophobicContact CG1-CD1 3.86Å; V523-Y528 HydrophobicContact CG1-CD2 4.28Å; V523-Y528 HydrophobicContact CG1-CE1 3.68Å; V523-Y528 HydrophobicContact CG1-CE2 4.11Å; V523-Y528 HydrophobicContact CG1-CG 4.18Å; V523-Y528 WeakPolarHBondContact O-CB 3.46Å; V523-S546 VanDerWaalsContact CG2-O 3.27Å; V523-S546 WeakPolarHBondContact CG2-O 3.26Å; V523-S546 PolarHBondContact N-O 2.67Å; V523-V557 HydrophobicContact CG2-CB 4.1Å; V523-V557 HydrophobicContact CG2-CG1 3.76Å; V523-V557 HydrophobicContact CG2-CG2 3.92Å; V523-Y559 PolarHBondContact O-OH 2.9Å
524	S	94	Very high	91.1	Very high	35 Å²	35	66.8 Å²	66.8	25%	0.245	36%	0.364	C	S	.	.			trans	-77.5	-20.1	177.1	73.7	0	0	0	0	113.8	D522 Q529 K547	D522-S524 WeakPolarHBondContact OD1-CA 3.27Å; D522-S524 WeakPolarHBondContact OD1-CB 3.15Å; D522-S524 PolarHBondContact OD1-N 2.97Å; D522-S524 PolarHBondContact OD1-OG 2.57Å; S524-Q529 PolarHBondContact O-NE2 3.23Å; S524-K547 VanDerWaalsContact OG-CE 3.25Å; S524-K547 WeakPolarHBondContact OG-CE 3.28Å
525	G	90.4	Very high	91.1	Very high	31 Å²	31	61.4 Å²	61.4	32%	0.32	34%	0.34	S	S	.	.	S	Bend	trans	-63.2	156.2	-178.4	0	0	0	0	0	114.4	E527 Y528	G525-E527 PolarHBondContact O-N 2.88Å; G525-E527 VanDerWaalsContact O-N 3.08Å; G525-Y528 PolarHBondContact O-N 2.9Å
526	K	90	Very high	91.2	Very high	137 Å²	137	64.6 Å²	64.6	60%	0.596	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-61.3	-19.4	-177.4	-71.6	-74.2	175.2	-169	0	114	Y528 Q529 E539	K526-Y528 PolarHBondContact O-N 2.89Å; K526-Q529 HydrophobicContact CD-CB 4.24Å; K526-Q529 CarbonylContact O-C 3.49Å; K526-Q529 PolarHBondContact O-N 3.2Å; K526-E539 IonicContact NZ-OE1 3.3Å; K526-E539 PolarHBondContact NZ-OE1 2.84Å
527	E	92.2	Very high	91.6	Very high	132 Å²	132	58.5 Å²	58.5	62%	0.617	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-69	-7.9	170.8	62.5	151.2	-100.5	0	0	115	K511 G525	K511-E527 PolarHBondContact NZ-O 2.83Å; K511-E527 IonicContact NZ-OE1 2.82Å; K511-E527 PolarHBondContact NZ-OE1 2.63Å; G525-E527 PolarHBondContact O-N 2.88Å; G525-E527 VanDerWaalsContact O-N 3.08Å
528	Y	94.3	Very high	91.9	Very high	29 Å²	29	57.7 Å²	57.7	11%	0.114	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-109.4	9.8	168.1	-61.6	-83	0	0	0	112.1	V497 Y499 K511 V513 V523 G525 K526 P530	V497-Y528 HydrophobicContact CG2-CD1 3.91Å; V497-Y528 HydrophobicContact CG2-CE1 4.38Å; Y499-Y528 VanDerWaalsContact CE1-O 3.26Å; Y499-Y528 WeakPolarHBondContact CE1-O 3.32Å; Y499-Y528 PolarHBondContact OH-O 2.98Å; K511-Y528 HydrophobicContact CD-CD1 3.59Å; K511-Y528 HydrophobicContact CD-CE1 3.55Å; K511-Y528 HydrophobicContact CG-CD1 4.36Å; K511-Y528 HydrophobicContact CG-CE1 4.15Å; V513-Y528 HydrophobicContact CG2-CD1 4.47Å; V513-Y528 HydrophobicContact CG2-CE1 3.52Å; V523-Y528 VanDerWaalsContact CA-CD2 3.45Å; V523-Y528 HydrophobicContact CB-CD1 3.83Å; V523-Y528 HydrophobicContact CB-CD2 3.89Å; V523-Y528 HydrophobicContact CB-CE1 4.16Å; V523-Y528 HydrophobicContact CB-CE2 4.21Å; V523-Y528 HydrophobicContact CB-CG 3.71Å; V523-Y528 HydrophobicContact CG1-CD1 3.86Å; V523-Y528 HydrophobicContact CG1-CD2 4.28Å; V523-Y528 HydrophobicContact CG1-CE1 3.68Å; V523-Y528 HydrophobicContact CG1-CE2 4.11Å; V523-Y528 HydrophobicContact CG1-CG 4.18Å; V523-Y528 WeakPolarHBondContact O-CB 3.46Å; G525-Y528 PolarHBondContact O-N 2.9Å; K526-Y528 PolarHBondContact O-N 2.89Å; Y528-P530 WeakPolarHBondContact O-CD 3.41Å
529	Q	93.5	Very high	92.3	Very high	33 Å²	33	63.2 Å²	63.2	15%	0.154	34%	0.34	C	S	.	.	S	Bend	trans	-122.9	61.8	177.9	-58.1	-178.3	21.7	0	0	109.5	S524 K526 L537 Y559 Y561	S524-Q529 PolarHBondContact O-NE2 3.23Å; K526-Q529 HydrophobicContact CD-CB 4.24Å; K526-Q529 CarbonylContact O-C 3.49Å; K526-Q529 PolarHBondContact O-N 3.2Å; Q529-L537 HydrophobicContact CB-CD2 4.05Å; Q529-L537 HydrophobicContact CG-CD2 3.91Å; Q529-Y559 HydrophobicContact CG-CD1 4.31Å; Q529-Y559 HydrophobicContact CG-CE1 3.96Å; Q529-Y561 VanDerWaalsContact C-OH 3.31Å
530	P	93.5	Very high	92.4	Very high	30 Å²	30	70 Å²	70	20%	0.195	36%	0.364	C	S	.	.			trans	-59	150.3	-176.8	26.3	-35.8	0	0	0	112.2	Y499 Y528 I532 Y561	Y499-P530 HydrophobicContact CD1-CG 4.22Å; Y499-P530 HydrophobicContact CE1-CG 3.96Å; Y499-P530 HydrophobicContact CE2-CG 4.33Å; Y528-P530 WeakPolarHBondContact O-CD 3.41Å; P530-I532 HydrophobicContact CG-CG1 4.28Å; P530-I532 PolarHBondContact O-N 2.73Å; P530-Y561 VanDerWaalsContact CD-OH 3.28Å; P530-Y561 WeakPolarHBondContact CD-OH 3.26Å; P530-Y561 VanDerWaalsContact O-CE1 3.26Å; P530-Y561 WeakPolarHBondContact O-CE1 3.2Å; P530-Y561 PolarHBondContact O-OH 2.83Å
531	A	91	Very high	92.4	Very high	106 Å²	106	70.1 Å²	70.1	88%	0.876	36%	0.362	S	S	*	.			trans	-76.7	107.8	169.1	0	0	0	0	0	109.4
532	I	92.1	Very high	92.3	Very high	11 Å²	11	73.2 Å²	73.2	6%	0.056	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-97.4	115.3	-176.6	-56.2	175.1	0	0	0	108.2	Y499 I507 H508 P530 G534 Y535 Y561	Y499-I532 HydrophobicContact CG-CD1 4.38Å; I507-I532 HydrophobicContact CD1-CD1 3.77Å; I507-I532 HydrophobicContact CD1-CG2 4.27Å; I507-I532 HydrophobicContact CG1-CD1 4.03Å; H508-I532 HydrophobicContact CB-CD1 3.64Å; H508-I532 HydrophobicContact CB-CG1 4.01Å; H508-I532 HydrophobicContact CB-CG2 4.48Å; P530-I532 HydrophobicContact CG-CG1 4.28Å; P530-I532 PolarHBondContact O-N 2.73Å; I532-G534 PolarHBondContact O-N 3.19Å; I532-Y535 HydrophobicContact CG2-CD2 3.93Å; I532-Y535 HydrophobicContact CG2-CG 4.31Å; I532-Y535 CarbonylContact O-C 3.59Å; I532-Y535 WeakPolarHBondContact O-CA 3.39Å; I532-Y535 PolarHBondContact O-N 2.71Å; I532-Y561 HydrophobicContact CB-CD1 4.31Å; I532-Y561 HydrophobicContact CB-CE1 4.25Å; I532-Y561 HydrophobicContact CD1-CD1 3.84Å; I532-Y561 HydrophobicContact CD1-CD2 3.91Å; I532-Y561 HydrophobicContact CD1-CE1 3.61Å; I532-Y561 HydrophobicContact CD1-CE2 3.69Å; I532-Y561 HydrophobicContact CD1-CG 4.01Å; I532-Y561 HydrophobicContact CG1-CD1 4.22Å; I532-Y561 HydrophobicContact CG1-CE1 3.79Å
533	K	90.4	Very high	92.2	Very high	206 Å²	206	70.2 Å²	70.2	90%	0.896	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	121.4	-175.7	-177.6	178.3	-179.9	177.2	0	111.6
534	G	90.7	Very high	92.1	Very high	27 Å²	27	80.4 Å²	80.4	28%	0.278	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	3.4	-174.8	0	0	0	0	0	114.7	I532 P563 E564	I532-G534 PolarHBondContact O-N 3.19Å; G534-P563 CarbonylContact O-C 3.56Å; G534-P563 WeakPolarHBondContact O-CA 3.33Å; G534-E564 WeakPolarHBondContact CA-OE2 3.42Å; G534-E564 PolarHBondContact N-OE2 2.65Å; G534-E564 PolarHBondContact O-N 2.65Å
535	Y	94.2	Very high	92.1	Very high	56 Å²	56	82.1 Å²	82.1	22%	0.22	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	130.6	-173.4	-69.9	-92.6	0	0	0	113	D501 I507 I532 Q562 P563	D501-Y535 HydrophobicContact CB-CE1 3.91Å; I507-Y535 HydrophobicContact CB-CE2 4.41Å; I507-Y535 HydrophobicContact CD1-CD1 3.73Å; I507-Y535 HydrophobicContact CD1-CD2 4.34Å; I507-Y535 HydrophobicContact CD1-CE1 4.14Å; I507-Y535 HydrophobicContact CD1-CG 3.85Å; I507-Y535 HydrophobicContact CG2-CE1 3.9Å; I507-Y535 HydrophobicContact CG2-CE2 4.15Å; I532-Y535 HydrophobicContact CG2-CD2 3.93Å; I532-Y535 HydrophobicContact CG2-CG 4.31Å; I532-Y535 CarbonylContact O-C 3.59Å; I532-Y535 WeakPolarHBondContact O-CA 3.39Å; I532-Y535 PolarHBondContact O-N 2.71Å; Y535-Q562 CarbonylContact C-O 3.5Å; Y535-Q562 VanDerWaalsContact CA-O 3.32Å; Y535-Q562 WeakPolarHBondContact CA-O 3.32Å; Y535-P563 HydrophobicContact CD1-CG 4.31Å; Y535-P563 HydrophobicContact CE1-CB 4.49Å; Y535-P563 HydrophobicContact CE1-CG 3.97Å
536	I	92.2	Very high	92.2	Very high	99 Å²	99	81.6 Å²	81.6	51%	0.508	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.3	174.6	-52.3	178.2	0	0	0	108.7	D538 Y561 Q562 E564	I536-D538 PolarHBondContact O-N 2.83Å; I536-Y561 VanDerWaalsContact C-CD1 3.49Å; I536-Y561 CarbonylContact O-C 3.57Å; I536-Y561 WeakPolarHBondContact O-CA 3.26Å; I536-Y561 WeakPolarHBondContact O-CB 3.36Å; I536-Q562 PolarHBondContact N-O 3.2Å; I536-Q562 PolarHBondContact O-N 2.78Å; I536-E564 HydrophobicContact CD1-CG 4.17Å; I536-E564 HydrophobicContact CG1-CG 3.65Å
537	L	94.6	Very high	92.4	Very high	24 Å²	24	81 Å²	81	13%	0.126	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132.5	176	177.7	66.4	0	0	0	110.9	Q529 E539 L542 Y559 V560 Y561	Q529-L537 HydrophobicContact CB-CD2 4.05Å; Q529-L537 HydrophobicContact CG-CD2 3.91Å; L537-E539 HydrophobicContact CD2-CG 4.47Å; L537-E539 PolarHBondContact O-N 2.88Å; L537-E539 VanDerWaalsContact O-N 3.1Å; L537-L542 HydrophobicContact CD2-CD2 3.85Å; L537-L542 HydrophobicContact CG-CD2 4.33Å; L537-Y559 HydrophobicContact CD1-CD1 3.79Å; L537-Y559 HydrophobicContact CD1-CG 4.42Å; L537-Y559 HydrophobicContact CD2-CD1 4.45Å; L537-V560 WeakPolarHBondContact CD1-O 3.19Å; L537-Y561 HydrophobicContact CB-CD1 4.03Å; L537-Y561 HydrophobicContact CB-CE1 3.83Å; L537-Y561 HydrophobicContact CB-CG 4.47Å; L537-Y561 HydrophobicContact CD1-CD2 3.85Å; L537-Y561 HydrophobicContact CD1-CE1 4.37Å; L537-Y561 HydrophobicContact CD1-CE2 3.56Å; L537-Y561 HydrophobicContact CD1-CG 4.34Å; L537-Y561 VanDerWaalsContact N-CD1 3.3Å
538	D	93.3	Very high	92.3	Very high	10 Å²	10	75.9 Å²	75.9	5%	0.053	39%	0.386	C	S	.	.			trans	-80.6	90.4	173	-165.9	-15.5	0	0	0	110.1	I536 K540 Q541 V560 Q562	I536-D538 PolarHBondContact O-N 2.83Å; D538-K540 PolarHBondContact O-N 3.19Å; D538-K540 VanDerWaalsContact OD1-CB 3.3Å; D538-K540 WeakPolarHBondContact OD1-CB 3.3Å; D538-K540 PolarHBondContact OD1-N 3.31Å; D538-Q541 HydrophobicContact CB-CB 4.18Å; D538-Q541 CarbonylContact O-C 3.41Å; D538-Q541 PolarHBondContact O-N 3.39Å; D538-Q541 PolarHBondContact OD2-NE2 3.5Å; D538-V560 WeakPolarHBondContact CB-O 3.41Å; D538-V560 PolarHBondContact N-O 3.26Å; D538-Q562 HydrophobicContact CB-CG 4.12Å; D538-Q562 PolarHBondContact OD2-NE2 3.33Å
539	E	90.2	Very high	92	Very high	124 Å²	124	76 Å²	76	58%	0.579	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-9	178.1	-60.9	-164.9	143.1	0	0	113.3	K526 L537	K526-E539 IonicContact NZ-OE1 3.3Å; K526-E539 PolarHBondContact NZ-OE1 2.84Å; L537-E539 HydrophobicContact CD2-CG 4.47Å; L537-E539 PolarHBondContact O-N 2.88Å; L537-E539 VanDerWaalsContact O-N 3.1Å
540	K	89	Confident	91.8	Very high	198 Å²	198	75 Å²	75	86%	0.861	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.6	171.4	-55.5	170.1	-176.5	168.4	0	112.9	D538	D538-K540 PolarHBondContact O-N 3.19Å; D538-K540 VanDerWaalsContact OD1-CB 3.3Å; D538-K540 WeakPolarHBondContact OD1-CB 3.3Å; D538-K540 PolarHBondContact OD1-N 3.31Å
541	Q	90.2	Very high	91.6	Very high	96 Å²	96	75.2 Å²	75.2	45%	0.449	39%	0.388	S	S	.	.	S	Bend	trans	-122.8	32.8	-179.6	-64.1	-168.8	71.9	0	0	112.6	D538 V560	D538-Q541 HydrophobicContact CB-CB 4.18Å; D538-Q541 CarbonylContact O-C 3.41Å; D538-Q541 PolarHBondContact O-N 3.39Å; D538-Q541 PolarHBondContact OD2-NE2 3.5Å; Q541-V560 HydrophobicContact CB-CB 4.11Å; Q541-V560 HydrophobicContact CB-CG2 4.31Å
542	L	91.6	Very high	91.3	Very high	77 Å²	77	72.6 Å²	72.6	40%	0.403	36%	0.36	S	S	.	.			trans	-61.6	134.3	173.3	-63	173.2	0	0	0	111	L537 K544 Y559	L537-L542 HydrophobicContact CD2-CD2 3.85Å; L537-L542 HydrophobicContact CG-CD2 4.33Å; L542-K544 PolarHBondContact O-N 3.48Å; L542-Y559 HydrophobicContact CD2-CD1 4.24Å; L542-Y559 HydrophobicContact CD2-CE1 3.97Å
543	P	93.5	Very high	91.2	Very high	14 Å²	14	78.6 Å²	78.6	9%	0.091	39%	0.385	C	S	.	.			trans	-69.1	126.2	-175.5	22.8	-30.2	0	0	0	112.4	N545 S546 V557 T558 Y559	P543-N545 PolarHBondContact O-N 3Å; P543-S546 VanDerWaalsContact O-CB 3.32Å; P543-S546 WeakPolarHBondContact O-CB 3.26Å; P543-S546 PolarHBondContact O-N 3.24Å; P543-S546 PolarHBondContact O-OG 2.91Å; P543-V557 HydrophobicContact CB-CG1 3.75Å; P543-V557 HydrophobicContact CG-CG1 3.46Å; P543-V557 VanDerWaalsContact CG-CG1 3.46Å; P543-T558 WeakPolarHBondContact CB-O 3.41Å; P543-T558 WeakPolarHBondContact CG-O 3.48Å; P543-Y559 VanDerWaalsContact CD-CE1 3.47Å; P543-Y559 HydrophobicContact CG-CD1 4.11Å; P543-Y559 HydrophobicContact CG-CD2 3.94Å; P543-Y559 HydrophobicContact CG-CE1 3.81Å; P543-Y559 HydrophobicContact CG-CE2 3.61Å; P543-Y559 HydrophobicContact CG-CG 4.15Å
544	K	92.2	Very high	91.3	Very high	214 Å²	214	72.2 Å²	72.2	93%	0.93	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.9	-179.9	-62.4	-176.3	179.8	-178	0	114	L542	L542-K544 PolarHBondContact O-N 3.48Å
545	N	94.1	Very high	91.5	Very high	70 Å²	70	73.2 Å²	73.2	37%	0.374	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	25.8	176.3	68.1	-38.7	0	0	0	112.8	P543 K547 I556 V557	P543-N545 PolarHBondContact O-N 3Å; N545-K547 PolarHBondContact O-N 2.95Å; N545-I556 PolarHBondContact ND2-O 3.07Å; N545-V557 WeakPolarHBondContact O-CG2 3.39Å
546	S	93.7	Very high	91.6	Very high	20 Å²	20	74.7 Å²	74.7	14%	0.14	37%	0.372	C	S	.	.	S	Bend	trans	-68.8	-9.5	175	43.5	0	0	0	0	114.2	V523 P543 Y559	V523-S546 VanDerWaalsContact CG2-O 3.27Å; V523-S546 WeakPolarHBondContact CG2-O 3.26Å; V523-S546 PolarHBondContact N-O 2.67Å; P543-S546 VanDerWaalsContact O-CB 3.32Å; P543-S546 WeakPolarHBondContact O-CB 3.26Å; P543-S546 PolarHBondContact O-N 3.24Å; P543-S546 PolarHBondContact O-OG 2.91Å; S546-Y559 WeakPolarHBondContact CB-OH 3.34Å
547	K	92.9	Very high	91.8	Very high	125 Å²	125	70 Å²	70	54%	0.543	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.7	167.3	-47.6	-164.1	-171.6	-150.7	0	109.7	F521 D522 S524 N545	F521-K547 WeakPolarHBondContact O-CA 3.44Å; D522-K547 HydrophobicContact CB-CD 4.44Å; D522-K547 HydrophobicContact CB-CG 4.43Å; D522-K547 WeakPolarHBondContact OD1-CE 3.32Å; D522-K547 IonicContact OD1-NZ 2.76Å; D522-K547 WeakPolarHBondContact OD2-CE 3.4Å; D522-K547 IonicContact OD2-NZ 3.76Å; D522-K547 PolarHBondContact OD2-NZ 3.4Å; S524-K547 VanDerWaalsContact OG-CE 3.25Å; S524-K547 WeakPolarHBondContact OG-CE 3.28Å; N545-K547 PolarHBondContact O-N 2.95Å
548	G	91.3	Very high	91.9	Very high	25 Å²	25	71.3 Å²	71.3	26%	0.258	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-162.2	-179.7	0	0	0	0	0	111.2	D520 F521	D520-G548 CarbonylContact C-O 3.58Å; D520-G548 VanDerWaalsContact CA-O 3.27Å; D520-G548 WeakPolarHBondContact CA-O 3.44Å; F521-G548 VanDerWaalsContact CD1-O 3.23Å; F521-G548 WeakPolarHBondContact CD1-O 3.34Å; F521-G548 PolarHBondContact N-O 2.62Å; F521-G548 PolarHBondContact O-N 3.32Å
549	S	87.9	Confident	92.1	Very high	31 Å²	31	71 Å²	71	22%	0.217	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.9	179.9	-39.1	0	0	0	0	111.8	K457 T519 D520 Q555	K457-S549 WeakPolarHBondContact CE-OG 3.41Å; T519-S549 CarbonylContact O-C 3.58Å; T519-S549 WeakPolarHBondContact O-CA 3.19Å; D520-S549 WeakPolarHBondContact OD1-CB 3.33Å; D520-S549 PolarHBondContact OD1-OG 3.4Å; S549-Q555 PolarHBondContact O-NE2 3.35Å
550	F	89.6	Confident	92.4	Very high	11 Å²	11	66 Å²	66	5%	0.048	33%	0.333	C	S	.	.			trans	-67.1	137.8	172.7	-67.9	-80.9	0	0	0	110.6	A492 V495 V513 E516 G518 T519 F521	A492-F550 HydrophobicContact CB-CB 4.27Å; V495-F550 HydrophobicContact CB-CE1 4.13Å; V495-F550 HydrophobicContact CG2-CD1 3.87Å; V495-F550 HydrophobicContact CG2-CE1 3.58Å; V495-F550 HydrophobicContact CG2-CZ 4.35Å; V513-F550 HydrophobicContact CB-CZ 4.43Å; V513-F550 HydrophobicContact CG1-CZ 3.98Å; E516-F550 WeakPolarHBondContact O-CB 3.39Å; G518-F550 PolarHBondContact N-O 2.77Å; T519-F550 VanDerWaalsContact O-CD2 3.3Å; T519-F550 WeakPolarHBondContact O-CD2 3.18Å; T519-F550 PolarHBondContact O-N 3.22Å; F521-F550 HydrophobicContact CB-CD2 4.45Å; F521-F550 HydrophobicContact CB-CE2 3.72Å; F521-F550 HydrophobicContact CB-CZ 3.78Å
551	S	88.8	Confident	92.7	Very high	36 Å²	36	56.7 Å²	56.7	25%	0.252	29%	0.292	S	S	.	.			trans	-133.5	179.7	-173.1	64.5	0	0	0	0	111.8	Q493 L517 K553 Q555	Q493-S551 PolarHBondContact N-O 3.24Å; L517-S551 VanDerWaalsContact CD1-C 3.47Å; S551-K553 PolarHBondContact O-N 2.56Å; S551-K553 VanDerWaalsContact O-N 3.11Å; S551-K553 PolarHBondContact OG-N 2.75Å; S551-K553 PolarHBondContact OG-O 2.78Å; S551-Q555 PolarHBondContact OG-NE2 2.89Å
552	D	84.5	Confident	92.7	Very high	50 Å²	50	56.7 Å²	56.7	27%	0.267	29%	0.292	S	S	.	.	S	Bend	trans	-70.5	5	174.3	68.6	-8.5	0	0	0	114.2	K490 Q493	K490-D552 HydrophobicContact CB-CB 4.14Å; K490-D552 HydrophobicContact CD-CB 3.52Å; K490-D552 VanDerWaalsContact CD-OD2 3.23Å; K490-D552 WeakPolarHBondContact CD-OD2 3.41Å; K490-D552 WeakPolarHBondContact CE-OD2 3.49Å; K490-D552 HydrophobicContact CG-CB 4.47Å; K490-D552 IonicContact NZ-OD2 3.73Å; K490-D552 PolarHBondContact NZ-OD2 2.94Å; Q493-D552 WeakPolarHBondContact CG-O 3.17Å
553	K	90	Very high	92.6	Very high	138 Å²	138	56.6 Å²	56.6	60%	0.6	30%	0.296	S	S	*	.	S	Bend	trans	-131.4	136.9	-177	-67.1	168.5	-167.1	79.4	0	111.1	Q493 S551 Q555	Q493-K553 VanDerWaalsContact CB-C 3.42Å; S551-K553 PolarHBondContact O-N 2.56Å; S551-K553 VanDerWaalsContact O-N 3.11Å; S551-K553 PolarHBondContact OG-N 2.75Å; S551-K553 PolarHBondContact OG-O 2.78Å; K553-Q555 PolarHBondContact O-N 2.92Å
554	T	92.9	Very high	91.8	Very high	71 Å²	71	61.2 Å²	61.2	44%	0.436	32%	0.317	S	S	.	.			trans	-61	123	175.2	-52	0	0	0	0	109.7	Q493 P494 I496	Q493-T554 VanDerWaalsContact CB-N 3.34Å; P494-T554 HydrophobicContact CG-CG2 4.48Å; I496-T554 HydrophobicContact CD1-CG2 3.55Å; I496-T554 HydrophobicContact CG1-CG2 3.87Å
555	Q	95.4	Very high	90.6	Very high	49 Å²	49	56.9 Å²	56.9	23%	0.229	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.1	179	-72.5	172	89	0	0	109.6	P494 V495 I496 S549 S551 K553	P494-Q555 PolarHBondContact O-N 3.11Å; V495-Q555 CarbonylContact C-O 3.55Å; V495-Q555 WeakPolarHBondContact CA-O 3.44Å; V495-Q555 HydrophobicContact CG2-CB 4.17Å; I496-Q555 PolarHBondContact N-O 2.94Å; S549-Q555 PolarHBondContact O-NE2 3.35Å; S551-Q555 PolarHBondContact OG-NE2 2.89Å; K553-Q555 PolarHBondContact O-N 2.92Å
556	I	95.9	Very high	88	Confident	86 Å²	86	63 Å²	63	44%	0.441	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.5	179.8	-59.8	175	0	0	0	108.5	I496 K498 N545	I496-I556 WeakPolarHBondContact O-CA 3.22Å; K498-I556 HydrophobicContact CD-CG2 3.77Å; K498-I556 HydrophobicContact CG-CG2 4.16Å; N545-I556 PolarHBondContact ND2-O 3.07Å
557	V	96.6	Very high	85.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.9	173.2	179.7	0	0	0	0	107.2	V495 I496 V497 K498 F521 V523 P543 N545 Y559	V495-V557 HydrophobicContact CG1-CG2 3.75Å; I496-V557 PolarHBondContact O-N 3.32Å; V497-V557 CarbonylContact C-O 3.58Å; V497-V557 VanDerWaalsContact CA-O 3.32Å; V497-V557 WeakPolarHBondContact CA-O 3.23Å; V497-V557 HydrophobicContact CG2-CB 4.47Å; K498-V557 PolarHBondContact N-O 3.49Å; F521-V557 HydrophobicContact CE2-CG2 4.27Å; V523-V557 HydrophobicContact CG2-CB 4.1Å; V523-V557 HydrophobicContact CG2-CG1 3.76Å; V523-V557 HydrophobicContact CG2-CG2 3.92Å; P543-V557 HydrophobicContact CB-CG1 3.75Å; P543-V557 HydrophobicContact CG-CG1 3.46Å; P543-V557 VanDerWaalsContact CG-CG1 3.46Å; N545-V557 WeakPolarHBondContact O-CG2 3.39Å; V557-Y559 HydrophobicContact CG1-CD2 4.3Å; V557-Y559 HydrophobicContact CG1-CE2 3.78Å
558	T	96.7	Very high	82.5	Confident	53 Å²	53	68.4 Å²	68.4	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.8	-172.6	-57.3	0	0	0	0	110.5	K498 V500 P543 V560	K498-T558 WeakPolarHBondContact O-CA 3.33Å; V500-T558 HydrophobicContact CB-CG2 4.49Å; V500-T558 HydrophobicContact CG1-CG2 4.25Å; V500-T558 HydrophobicContact CG2-CG2 3.43Å; V500-T558 VanDerWaalsContact CG2-CG2 3.43Å; P543-T558 WeakPolarHBondContact CB-O 3.41Å; P543-T558 WeakPolarHBondContact CG-O 3.48Å; T558-V560 HydrophobicContact CG2-CG2 4.49Å
559	Y	96.8	Very high	79.6	Confident	3 Å²	3	73.8 Å²	73.8	1%	0.012	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123	169.2	-76.7	-89.7	0	0	0	109.7	V497 K498 Y499 V500 V523 Q529 L537 L542 P543 S546 V557	V497-Y559 HydrophobicContact CG1-CD2 3.65Å; V497-Y559 HydrophobicContact CG1-CE2 3.91Å; K498-Y559 PolarHBondContact O-N 2.79Å; Y499-Y559 HydrophobicContact CE1-CD2 4.34Å; V500-Y559 PolarHBondContact N-O 3.23Å; V523-Y559 PolarHBondContact O-OH 2.9Å; Q529-Y559 HydrophobicContact CG-CD1 4.31Å; Q529-Y559 HydrophobicContact CG-CE1 3.96Å; L537-Y559 HydrophobicContact CD1-CD1 3.79Å; L537-Y559 HydrophobicContact CD1-CG 4.42Å; L537-Y559 HydrophobicContact CD2-CD1 4.45Å; L542-Y559 HydrophobicContact CD2-CD1 4.24Å; L542-Y559 HydrophobicContact CD2-CE1 3.97Å; P543-Y559 VanDerWaalsContact CD-CE1 3.47Å; P543-Y559 HydrophobicContact CG-CD1 4.11Å; P543-Y559 HydrophobicContact CG-CD2 3.94Å; P543-Y559 HydrophobicContact CG-CE1 3.81Å; P543-Y559 HydrophobicContact CG-CE2 3.61Å; P543-Y559 HydrophobicContact CG-CG 4.15Å; S546-Y559 WeakPolarHBondContact CB-OH 3.34Å; V557-Y559 HydrophobicContact CG1-CD2 4.3Å; V557-Y559 HydrophobicContact CG1-CE2 3.78Å
560	V	95.9	Very high	77.1	Confident	18 Å²	18	80.4 Å²	80.4	11%	0.109	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.3	178.9	-175.1	0	0	0	0	109.4	V500 P502 L537 D538 Q541 T558	V500-V560 HydrophobicContact CG2-CG2 4.05Å; V500-V560 CarbonylContact O-C 3.56Å; V500-V560 WeakPolarHBondContact O-CA 3.36Å; P502-V560 HydrophobicContact CB-CG1 4.38Å; P502-V560 HydrophobicContact CG-CG1 4.29Å; L537-V560 WeakPolarHBondContact CD1-O 3.19Å; D538-V560 WeakPolarHBondContact CB-O 3.41Å; D538-V560 PolarHBondContact N-O 3.26Å; Q541-V560 HydrophobicContact CB-CB 4.11Å; Q541-V560 HydrophobicContact CB-CG2 4.31Å; T558-V560 HydrophobicContact CG2-CG2 4.49Å
561	Y	95.9	Very high	74.1	Confident	3 Å²	3	86.8 Å²	86.8	1%	0.012	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.8	175.9	-69	-121.5	0	0	0	110.4	Y499 V500 P502 I507 Q529 P530 I532 I536 L537	Y499-Y561 HydrophobicContact CD1-CE2 4.01Å; V500-Y561 PolarHBondContact O-N 3.33Å; P502-Y561 VanDerWaalsContact CD-O 3.26Å; P502-Y561 WeakPolarHBondContact CD-O 3.26Å; I507-Y561 HydrophobicContact CD1-CD2 4.24Å; I507-Y561 HydrophobicContact CD1-CG 4.03Å; Q529-Y561 VanDerWaalsContact C-OH 3.31Å; P530-Y561 VanDerWaalsContact CD-OH 3.28Å; P530-Y561 WeakPolarHBondContact CD-OH 3.26Å; P530-Y561 VanDerWaalsContact O-CE1 3.26Å; P530-Y561 WeakPolarHBondContact O-CE1 3.2Å; P530-Y561 PolarHBondContact O-OH 2.83Å; I532-Y561 HydrophobicContact CB-CD1 4.31Å; I532-Y561 HydrophobicContact CB-CE1 4.25Å; I532-Y561 HydrophobicContact CD1-CD1 3.84Å; I532-Y561 HydrophobicContact CD1-CD2 3.91Å; I532-Y561 HydrophobicContact CD1-CE1 3.61Å; I532-Y561 HydrophobicContact CD1-CE2 3.69Å; I532-Y561 HydrophobicContact CD1-CG 4.01Å; I532-Y561 HydrophobicContact CG1-CD1 4.22Å; I532-Y561 HydrophobicContact CG1-CE1 3.79Å; I536-Y561 VanDerWaalsContact C-CD1 3.49Å; I536-Y561 CarbonylContact O-C 3.57Å; I536-Y561 WeakPolarHBondContact O-CA 3.26Å; I536-Y561 WeakPolarHBondContact O-CB 3.36Å; L537-Y561 HydrophobicContact CB-CD1 4.03Å; L537-Y561 HydrophobicContact CB-CE1 3.83Å; L537-Y561 HydrophobicContact CB-CG 4.47Å; L537-Y561 HydrophobicContact CD1-CD2 3.85Å; L537-Y561 HydrophobicContact CD1-CE1 4.37Å; L537-Y561 HydrophobicContact CD1-CE2 3.56Å; L537-Y561 HydrophobicContact CD1-CG 4.34Å; L537-Y561 VanDerWaalsContact N-CD1 3.3Å
562	Q	91.5	Very high	71.3	Confident	96 Å²	96	90.2 Å²	90.2	45%	0.449	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.6	171.8	-56.8	-169.2	10.8	0	0	110.6	P502 Y535 I536 D538	P502-Q562 HydrophobicContact CG-CG 4.26Å; Y535-Q562 CarbonylContact C-O 3.5Å; Y535-Q562 VanDerWaalsContact CA-O 3.32Å; Y535-Q562 WeakPolarHBondContact CA-O 3.32Å; I536-Q562 PolarHBondContact N-O 3.2Å; I536-Q562 PolarHBondContact O-N 2.78Å; D538-Q562 HydrophobicContact CB-CG 4.12Å; D538-Q562 PolarHBondContact OD2-NE2 3.33Å
563	P	89.6	Confident	68.8	Low	75 Å²	75	95.9 Å²	95.9	49%	0.487	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	143.1	174.3	-24.6	34.4	0	0	0	113.2	G534 Y535 T565	G534-P563 CarbonylContact O-C 3.56Å; G534-P563 WeakPolarHBondContact O-CA 3.33Å; Y535-P563 HydrophobicContact CD1-CG 4.31Å; Y535-P563 HydrophobicContact CE1-CB 4.49Å; Y535-P563 HydrophobicContact CE1-CG 3.97Å; P563-T565 PolarHBondContact O-N 2.55Å
564	E	76.7	Confident	65.9	Low	112 Å²	112	95.2 Å²	95.2	52%	0.523	54%	0.539	S	S	.	.			trans	-61.7	103.3	177.6	-83.7	176.3	153.2	0	0	111.8	G534 I536 K566	G534-E564 WeakPolarHBondContact CA-OE2 3.42Å; G534-E564 PolarHBondContact N-OE2 2.65Å; G534-E564 PolarHBondContact O-N 2.65Å; I536-E564 HydrophobicContact CD1-CG 4.17Å; I536-E564 HydrophobicContact CG1-CG 3.65Å; E564-K566 PolarHBondContact O-N 2.85Å
565	T	65.3	Low	63.1	Low	122 Å²	122	96.7 Å²	96.7	75%	0.748	55%	0.552	S	S	*	*			trans	-73.5	112.5	164.9	53.4	0	0	0	0	109.4	P563 P567	P563-T565 PolarHBondContact O-N 2.55Å; T565-P567 VanDerWaalsContact O-N 3.16Å
566	K	40.3	Very low	60.4	Low	199 Å²	199	100.1 Å²	100.1	87%	0.865	58%	0.577	S	S	*	*			trans	-38	112.9	-175.8	-174.5	-174.7	178	-173.1	0	113.2	E564	E564-K566 PolarHBondContact O-N 2.85Å
567	P	40.9	Very low	57.8	Low	114 Å²	114	102.1 Å²	102.1	74%	0.74	60%	0.599	S	S	*	*			trans	-84.5	167.2	-170.2	33.2	-36.8	0	0	0	114.3	T565	T565-P567 VanDerWaalsContact O-N 3.16Å
568	T	30.7	Very low	55.2	Low	144 Å²	144	105.8 Å²	105.8	88%	0.883	64%	0.636	S	S	*	*			trans	-112.3	139.7	171.2	-53.8	0	0	0	0	108.8
569	T	29.3	Very low	52.6	Low	139 Å²	139	113.6 Å²	113.6	85%	0.853	67%	0.666	S	S	*	*			trans	-87.5	143.6	-156.9	-25.6	0	0	0	0	116
570	E	34.9	Very low	50.4	Low	170 Å²	170	119.2 Å²	119.2	79%	0.794	70%	0.703	S	S	*	*			trans	-101.8	172.8	168.9	-52.6	172.8	132.6	0	0	111.4
571	T	27.9	Very low	47.8	Very low	144 Å²	144	124.4 Å²	124.4	88%	0.883	74%	0.739	S	S	*	*			trans	173.3	151.6	130.1	26.5	0	0	0	0	114.4
572	S	29.9	Very low	45.3	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	77%	0.774	S	S	*	*			trans	-151.9	158	176.8	-59.3	0	0	0	0	110.5
573	D	31.3	Very low	43	Very low	168 Å²	168	130 Å²	130	90%	0.898	79%	0.792	S	S	*	*			trans	156.6	164.7	141.7	-82.8	-8.5	0	0	0	115.8
574	S	29.8	Very low	40.8	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	81%	0.811	S	S	*	*			trans	-158.1	-163.5	-175.6	78.9	0	0	0	0	117
575	S	34.6	Very low	39	Very low	101 Å²	101	135 Å²	135	71%	0.706	83%	0.829	S	S	*	*			trans	-151.8	-176.4	-160	63.8	0	0	0	0	113.9
576	T	36.9	Very low	37.6	Very low	121 Å²	121	134.9 Å²	134.9	74%	0.742	83%	0.834	S	S	*	*			cis	-171	171.3	15.8	-11.9	0	0	0	0	113.6
577	S	43.1	Very low	37.5	Very low	129 Å²	129	131.7 Å²	131.7	90%	0.902	83%	0.831	S	S	*	*			trans	89	-175.5	143.6	78.3	0	0	0	0	123.9
578	G	40.4	Very low	37.1	Very low	77 Å²	77	132.4 Å²	132.4	79%	0.794	83%	0.828	S	S	*	*			trans	-150.4	-154.2	-154.8	0	0	0	0	0	120.5
579	K	43.2	Very low	37.4	Very low	217 Å²	217	130.3 Å²	130.3	94%	0.943	82%	0.82	S	S	*	*			trans	-125.7	169.9	-148.6	-101.3	-179.1	151.8	-175.2	0	120.9
580	P	49.7	Very low	37.8	Very low	121 Å²	121	128.5 Å²	128.5	79%	0.786	81%	0.813	S	S	*	*			trans	-129.3	177.6	-175.7	44.4	-29.8	0	0	0	119.6
581	S	41	Very low	37.8	Very low	126 Å²	126	125.8 Å²	125.8	88%	0.881	81%	0.812	S	S	*	*			trans	-175.4	177.5	171.8	-99.7	0	0	0	0	112.8
582	A	43.6	Very low	38.3	Very low	89 Å²	89	128 Å²	128	74%	0.736	81%	0.813	S	S	*	*			cis	-177	142.5	-33	0	0	0	0	0	113
583	P	44.3	Very low	38.8	Very low	127 Å²	127	128 Å²	128	83%	0.825	81%	0.812	S	S	*	*			trans	-139.5	170.1	-179.8	43.1	-27.8	0	0	0	119.8
584	T	42	Very low	39	Very low	146 Å²	146	128 Å²	128	90%	0.896	81%	0.811	S	S	*	*			trans	-158.2	167.4	178.5	22.6	0	0	0	0	117.8
585	T	39.5	Very low	39.4	Very low	147 Å²	147	129 Å²	129	90%	0.902	81%	0.812	S	S	*	*			trans	-150.6	174.9	-177	49.6	0	0	0	0	114.8
586	S	36.8	Very low	39.5	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	82%	0.819	S	S	*	*			trans	-158.7	171.1	-172.2	49.6	0	0	0	0	118.2
587	T	37.2	Very low	39.3	Very low	131 Å²	131	128 Å²	128	80%	0.804	81%	0.808	S	S	*	*			trans	-138.4	-162.3	-179.7	55.8	0	0	0	0	112.9
588	D	33.6	Very low	39	Very low	129 Å²	129	129.5 Å²	129.5	69%	0.69	80%	0.804	S	S	*	*			cis	-167.5	173.6	13.4	-143.7	-77.6	0	0	0	115.5
589	S	35.9	Very low	38.6	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	80%	0.803	S	S	*	*			trans	63.3	174	147.5	-80.7	0	0	0	0	124.1
590	S	38.5	Very low	38.3	Very low	100 Å²	100	127.3 Å²	127.3	70%	0.699	79%	0.793	S	S	*	*			cis	-176	-163.6	-35	70.3	0	0	0	0	112.8
591	S	35.2	Very low	37.3	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	79%	0.789	S	S	*	*			trans	80.2	166.2	159.9	79.4	0	0	0	0	122.5
592	Q	37	Very low	36.7	Very low	191 Å²	191	128.7 Å²	128.7	89%	0.893	79%	0.792	S	S	*	*				-161.2	-158.5	-54.6	-140.9	175	11.7	0	0	113.1
593	S	41.7	Very low	36	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	79%	0.793	S	S	*	*			trans	-147.2	164.9	-161.7	57.8	0	0	0	0	117.2
594	I	34	Very low	35	Very low	168 Å²	168	132.4 Å²	132.4	86%	0.862	79%	0.793	S	S	*	*			trans	-145.4	150	-176.5	-51.2	178.6	0	0	0	114.5
595	T	39.7	Very low	34.3	Very low	148 Å²	148	131.7 Å²	131.7	91%	0.908	79%	0.787	S	S	*	*			trans	-141.3	-174.1	169.7	45.7	0	0	0	0	112.8
596	G	35.7	Very low	33.6	Very low	82 Å²	82	129 Å²	129	85%	0.845	78%	0.775	S	S	*	*			trans	-143.4	-177.7	-165.4	0	0	0	0	0	119.7
597	K	32.2	Very low	33.2	Very low	119 Å²	119	129.2 Å²	129.2	52%	0.517	77%	0.773	S	S	.	*			trans	-108.4	175.7	-161.8	-147.8	169.2	-170.7	171	0	114.8	Y256 D258 E293	Y256-K597 WeakPolarHBondContact OH-CE 3.48Å; D258-K597 IonicContact OD2-NZ 3.17Å; D258-K597 PolarHBondContact OD2-NZ 3.28Å; E293-K597 IonicContact OE1-NZ 2.76Å; E293-K597 IonicContact OE2-NZ 2.71Å; E293-K597 PolarHBondContact OE2-NZ 2.94Å
598	I	37.2	Very low	32.7	Very low	160 Å²	160	127.9 Å²	127.9	82%	0.821	78%	0.776	S	S	*	*			trans	-110.1	156.3	-178.1	-67.2	176	0	0	0	111.6
599	S	32.8	Very low	32.4	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	78%	0.78	S	S	*	*			trans	-125.1	144.7	-178.1	-53.7	0	0	0	0	114.1
600	D	35.9	Very low	31.8	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	78%	0.783	S	S	*	*			trans	-78.7	150.8	176.1	-74.9	-48.9	0	0	0	113.9
601	S	28.7	Very low	31.2	Very low	98 Å²	98	126.5 Å²	126.5	69%	0.685	79%	0.788	S	S	*	*			trans	-110.2	129.3	-179.9	-65	0	0	0	0	112.9	N603	S601-N603 PolarHBondContact O-N 3.26Å
602	N	28.3	Very low	30.8	Very low	177 Å²	177	127 Å²	127	95%	0.947	79%	0.787	S	S	*	*			trans	-63.2	94	171.9	-77.3	-23.8	0	0	0	111.4
603	N	29.1	Very low	30.2	Very low	144 Å²	144	126.1 Å²	126.1	77%	0.77	79%	0.788	S	S	*	*			trans	-102.5	125.5	175.4	-95.7	-38.7	0	0	0	112.2	S601 V605	S601-N603 PolarHBondContact O-N 3.26Å; N603-V605 PolarHBondContact O-N 3.24Å
604	N	24.7	Very low	29.6	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	79%	0.793	S	S	*	*			trans	-71.9	111.3	-173.8	-175.9	11.6	0	0	0	111.8
605	V	27.1	Very low	29.3	Very low	130 Å²	130	125.8 Å²	125.8	79%	0.788	79%	0.787	S	S	*	*			trans	-107.7	106.8	173.8	-178.6	0	0	0	0	109.4	N603	N603-V605 PolarHBondContact O-N 3.24Å
606	S	23.6	Very low	28.7	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-57.6	142.2	176.8	-58.4	0	0	0	0	112.1	A608	S606-A608 PolarHBondContact O-N 2.84Å
607	P	28.1	Very low	28.3	Very low	123 Å²	123	132.3 Å²	132.3	80%	0.799	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.2	130.2	-175.9	25.9	-34.3	0	0	0	112
608	A	28.3	Very low	28	Very low	104 Å²	104	132.6 Å²	132.6	86%	0.86	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.7	144	174.6	0	0	0	0	0	111.3	S606	S606-A608 PolarHBondContact O-N 2.84Å
609	G	25.7	Very low	27.5	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.6	168	-163.9	0	0	0	0	0	116.7
610	S	25	Very low	27.1	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-50.1	139.8	178.4	53.1	0	0	0	0	115	T612	S610-T612 PolarHBondContact O-N 2.93Å
611	S	25.5	Very low	26.7	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	79%	0.79	S	S	*	*			trans	-21.9	119.2	165	55.7	0	0	0	0	116.5
612	T	26.2	Very low	26.6	Very low	125 Å²	125	134.6 Å²	134.6	77%	0.767	80%	0.797	S	S	*	*			trans	-113.7	125.8	158.1	47.5	0	0	0	0	109.4	S610 L614	S610-T612 PolarHBondContact O-N 2.93Å; T612-L614 PolarHBondContact O-N 3.26Å; T612-L614 VanDerWaalsContact O-N 3.14Å
613	N	25.6	Very low	26.5	Very low	172 Å²	172	133.7 Å²	133.7	92%	0.92	79%	0.792	S	S	*	*			trans	-66.9	111	179.6	-84.6	-65.4	0	0	0	110.6
614	L	28.7	Very low	26.4	Very low	162 Å²	162	132.7 Å²	132.7	85%	0.848	79%	0.791	S	S	*	*			trans	-97.8	114.2	163.5	-85.9	161.1	0	0	0	108.8	T612 H616	T612-L614 PolarHBondContact O-N 3.26Å; T612-L614 VanDerWaalsContact O-N 3.14Å; L614-H616 PolarHBondContact O-N 3.18Å
615	S	27	Very low	26.5	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-62.3	129.5	-173.4	52.7	0	0	0	0	112.6	Q617	S615-Q617 PolarHBondContact O-N 2.74Å
616	H	28.1	Very low	26.5	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.866	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-49.6	124.4	174.1	-64.8	135.7	0	0	0	112.4	L614	L614-H616 PolarHBondContact O-N 3.18Å
617	Q	27.5	Very low	26.8	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-100.3	118.9	154.9	-72.5	-164.4	-3.3	0	0	108.8	S615 V619	S615-Q617 PolarHBondContact O-N 2.74Å; Q617-V619 PolarHBondContact O-N 2.8Å
618	T	25	Very low	26.9	Very low	125 Å²	125	136.6 Å²	136.6	77%	0.767	80%	0.797	S	S	*	*			trans	-73.9	94.8	-173.3	-47.9	0	0	0	0	111.3	T620	T618-T620 PolarHBondContact O-N 2.82Å
619	V	27.1	Very low	27	Very low	121 Å²	121	137.3 Å²	137.3	73%	0.733	79%	0.793	S	S	*	*			trans	-82.6	100.9	168.5	-178.8	0	0	0	0	108.9	Q617 T621	Q617-V619 PolarHBondContact O-N 2.8Å; V619-T621 VanDerWaalsContact C-N 3.33Å; V619-T621 PolarHBondContact O-N 3.38Å
620	T	23.4	Very low	27.3	Very low	123 Å²	123	143 Å²	143	76%	0.755	80%	0.796	S	S	*	*			trans	-74.6	77.3	-175.3	-43.1	0	0	0	0	112.3	T618	T618-T620 PolarHBondContact O-N 2.82Å
621	T	27.3	Very low	27.5	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	80%	0.804	S	S	*	*			trans	-68.1	137.6	167.5	44.9	0	0	0	0	110.4	V619 N623	V619-T621 VanDerWaalsContact C-N 3.33Å; V619-T621 PolarHBondContact O-N 3.38Å; T621-N623 PolarHBondContact O-N 2.84Å
622	K	27.3	Very low	27.7	Very low	191 Å²	191	142.9 Å²	142.9	83%	0.83	80%	0.8	S	S	*	*			trans	-79.7	117.2	-177.5	-72.1	178.6	178.3	174.9	0	110.1	T624	K622-T624 PolarHBondContact O-N 2.92Å
623	N	26.8	Very low	27.9	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	80%	0.804	S	S	*	*			trans	-64.1	88.7	171	-78.5	-14.1	0	0	0	111.7	T621 S625	T621-N623 PolarHBondContact O-N 2.84Å; N623-S625 PolarHBondContact O-N 2.81Å; N623-S625 VanDerWaalsContact O-N 3.14Å
624	T	26.7	Very low	28.2	Very low	122 Å²	122	144.2 Å²	144.2	75%	0.748	80%	0.795	S	S	*	*			trans	-70.4	98.6	157.5	43.6	0	0	0	0	108.2	K622 T626	K622-T624 PolarHBondContact O-N 2.92Å; T624-T626 VanDerWaalsContact C-N 3.32Å; T624-T626 PolarHBondContact O-N 2.76Å
625	S	25.7	Very low	28.2	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	80%	0.795	S	S	*	*			trans	-71.2	80.6	-174.7	-171.3	0	0	0	0	112.4	N623 K627	N623-S625 PolarHBondContact O-N 2.81Å; N623-S625 VanDerWaalsContact O-N 3.14Å; S625-K627 PolarHBondContact O-N 3.02Å
626	T	28.2	Very low	28.3	Very low	127 Å²	127	144 Å²	144	78%	0.779	79%	0.788	S	S	*	*			trans	-71.1	84.4	161.8	34.3	0	0	0	0	108.9	T624 L628	T624-T626 VanDerWaalsContact C-N 3.32Å; T624-T626 PolarHBondContact O-N 2.76Å; T626-L628 PolarHBondContact O-N 2.87Å; T626-L628 VanDerWaalsContact O-N 3.13Å
627	K	29.7	Very low	28.5	Very low	192 Å²	192	139.4 Å²	139.4	84%	0.835	78%	0.777	S	S	*	*			trans	-59.3	110.6	-178.3	-170.3	179	-172.9	178.5	0	110.5	S625	S625-K627 PolarHBondContact O-N 3.02Å
628	L	29.5	Very low	28.7	Very low	150 Å²	150	137.1 Å²	137.1	79%	0.785	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-56.6	145.6	-178.8	-69.3	94.9	0	0	0	111.8	T626	T626-L628 PolarHBondContact O-N 2.87Å; T626-L628 VanDerWaalsContact O-N 3.13Å
629	P	30.4	Very low	29.1	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-55.6	146.4	164.9	-21	32.8	0	0	0	110.5
630	K	33	Very low	29.6	Very low	196 Å²	196	141.8 Å²	141.8	85%	0.852	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74.2	137.9	175.6	-71.8	-174.6	174.3	-175.4	0	109.9	G632	K630-G632 PolarHBondContact O-N 2.83Å
631	T	29.9	Very low	30.3	Very low	151 Å²	151	141.3 Å²	141.3	93%	0.926	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	125.4	166.8	37.6	0	0	0	0	110.5
632	G	29.5	Very low	30.7	Very low	70 Å²	70	139.6 Å²	139.6	72%	0.722	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.4	-21.2	179	0	0	0	0	0	116.1	K630 I634	K630-G632 PolarHBondContact O-N 2.83Å; G632-I634 PolarHBondContact O-N 3.44Å; G632-I634 VanDerWaalsContact O-N 3.1Å
633	E	29.6	Very low	31.2	Very low	181 Å²	181	133 Å²	133	85%	0.846	75%	0.747	S	S	*	*			trans	-74.1	104	175	-72.2	-172.7	153	0	0	110.8	I635	E633-I635 PolarHBondContact O-N 2.95Å
634	I	31.7	Very low	31.9	Very low	144 Å²	144	130.4 Å²	130.4	74%	0.738	73%	0.732	S	S	*	*			trans	-62.9	123.2	165.7	-60	171.6	0	0	0	107	G632 V636	G632-I634 PolarHBondContact O-N 3.44Å; G632-I634 VanDerWaalsContact O-N 3.1Å; I634-V636 HydrophobicContact CB-CG2 4.33Å; I634-V636 HydrophobicContact CG2-CG2 3.94Å; I634-V636 PolarHBondContact O-N 2.92Å
635	I	29.1	Very low	32.6	Very low	166 Å²	166	128.9 Å²	128.9	85%	0.851	73%	0.725	S	S	*	*			trans	-73.3	81.8	173.1	-54.7	177	0	0	0	107.9	E633 S637	E633-I635 PolarHBondContact O-N 2.95Å; I635-S637 PolarHBondContact O-N 3.23Å
636	V	28.7	Very low	33.4	Very low	98 Å²	98	128.1 Å²	128.1	59%	0.594	72%	0.716	S	S	*	*			trans	-71.4	108.7	173.6	-174.4	0	0	0	0	107.5	I634 N638	I634-V636 HydrophobicContact CB-CG2 4.33Å; I634-V636 HydrophobicContact CG2-CG2 3.94Å; I634-V636 PolarHBondContact O-N 2.92Å; V636-N638 PolarHBondContact O-N 3.08Å
637	S	32	Very low	34.2	Very low	90 Å²	90	128 Å²	128	63%	0.629	71%	0.71	S	S	*	*			trans	-55	133.7	177.6	-172.4	0	0	0	0	110.4	I635 Y639	I635-S637 PolarHBondContact O-N 3.23Å; S637-Y639 PolarHBondContact O-N 3.3Å
638	N	31.6	Very low	34.9	Very low	132 Å²	132	125.7 Å²	125.7	71%	0.706	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-69.8	4.8	-155.2	-105	-29.5	0	0	0	116.4	V636 L640	V636-N638 PolarHBondContact O-N 3.08Å; N638-L640 PolarHBondContact O-N 3.04Å
639	Y	35	Very low	35.6	Very low	211 Å²	211	124.6 Å²	124.6	83%	0.827	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-78.9	-9.5	-175	-75.9	-81.8	0	0	0	115.3	S637	S637-Y639 PolarHBondContact O-N 3.3Å
640	L	36.7	Very low	36.4	Very low	133 Å²	133	121.4 Å²	121.4	70%	0.696	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-88.2	-17	-178.6	-137.6	79.6	0	0	0	115.4	N638 A642 G643	N638-L640 PolarHBondContact O-N 3.04Å; L640-A642 VanDerWaalsContact C-N 3.28Å; L640-A642 PolarHBondContact O-N 2.6Å; L640-G643 PolarHBondContact O-N 3.45Å
641	I	37.3	Very low	37.2	Very low	114 Å²	114	115.1 Å²	115.1	59%	0.585	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-25.8	-177.1	-64.6	179.2	0	0	0	111.8	G643 I644	I641-G643 PolarHBondContact O-N 2.94Å; I641-I644 PolarHBondContact O-N 2.99Å
642	A	35.7	Very low	38.1	Very low	77 Å²	77	110 Å²	110	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-58.5	-28.2	173.8	0	0	0	0	0	113.5	L640	L640-A642 VanDerWaalsContact C-N 3.28Å; L640-A642 PolarHBondContact O-N 2.6Å
643	G	39.5	Very low	39	Very low	53 Å²	53	112.8 Å²	112.8	55%	0.546	63%	0.627	S	S	.	*	H	α-helix	trans	-78.8	-16.2	-177.2	0	0	0	0	0	115.8	L640 I641 T646	L640-G643 PolarHBondContact O-N 3.45Å; I641-G643 PolarHBondContact O-N 2.94Å; G643-T646 PolarHBondContact O-OG1 2.9Å
644	I	41	Very low	40	Very low	103 Å²	103	109.9 Å²	109.9	53%	0.528	62%	0.617	S	S	.	*	H	α-helix	trans	-100.3	-34.1	-172.2	-63.5	179.7	0	0	0	112.2	I641 T646 L647 F648	I641-I644 PolarHBondContact O-N 2.99Å; I644-T646 VanDerWaalsContact C-N 3.3Å; I644-T646 PolarHBondContact O-N 2.72Å; I644-L647 PolarHBondContact O-N 2.88Å; I644-F648 HydrophobicContact CG2-CD2 3.96Å; I644-F648 HydrophobicContact CG2-CE2 3.87Å; I644-F648 PolarHBondContact O-N 2.76Å
645	C	41.6	Very low	40.7	Very low	89 Å²	89	109 Å²	109	60%	0.601	61%	0.613	S	S	*	*	H	α-helix	trans	-64.1	-33	178.8	-69.4	0	0	0	0	113.2	L649	C645-L649 PolarHBondContact O-N 2.98Å
646	T	42.2	Very low	41.6	Very low	94 Å²	94	109.7 Å²	109.7	58%	0.577	61%	0.61	S	S	*	*	H	α-helix	trans	-66.6	-39.7	177.3	48.5	0	0	0	0	112.4	G643 I644 F648 L649 A650	G643-T646 PolarHBondContact O-OG1 2.9Å; I644-T646 VanDerWaalsContact C-N 3.3Å; I644-T646 PolarHBondContact O-N 2.72Å; T646-F648 PolarHBondContact O-N 2.77Å; T646-L649 PolarHBondContact O-N 2.87Å; T646-A650 PolarHBondContact O-N 3.02Å
647	L	45.9	Very low	42.5	Very low	123 Å²	123	109.3 Å²	109.3	64%	0.644	61%	0.612	S	S	*	*	H	α-helix	trans	-70.4	-32.5	-179.1	-154.9	73.6	0	0	0	112.8	I644 T651	I644-L647 PolarHBondContact O-N 2.88Å; L647-T651 PolarHBondContact O-N 3.41Å; L647-T651 VanDerWaalsContact O-N 3.17Å; L647-T651 PolarHBondContact O-OG1 3.1Å
648	F	43.3	Very low	43.2	Very low	145 Å²	145	115.6 Å²	115.6	64%	0.636	62%	0.622	S	S	*	*	H	α-helix	trans	-71.1	-32	173	-83.9	-70.3	0	0	0	113.2	I644 T646 T651 A652	I644-F648 HydrophobicContact CG2-CD2 3.96Å; I644-F648 HydrophobicContact CG2-CE2 3.87Å; I644-F648 PolarHBondContact O-N 2.76Å; T646-F648 PolarHBondContact O-N 2.77Å; F648-T651 WeakPolarHBondContact CA-OG1 3.47Å; F648-T651 PolarHBondContact O-OG1 3.45Å; F648-A652 WeakPolarHBondContact O-CB 3.07Å; F648-A652 PolarHBondContact O-N 2.97Å
649	L	44.3	Very low	43.6	Very low	127 Å²	127	117.6 Å²	117.6	67%	0.665	62%	0.624	S	S	*	*	H	α-helix	trans	-69.6	-41.4	175.7	-135.7	72.5	0	0	0	111.9	C645 T646 A652 L653	C645-L649 PolarHBondContact O-N 2.98Å; T646-L649 PolarHBondContact O-N 2.87Å; L649-A652 PolarHBondContact O-N 3.01Å; L649-L653 PolarHBondContact O-N 2.87Å
650	A	48.1	Very low	43.8	Very low	52 Å²	52	116.2 Å²	116.2	43%	0.43	62%	0.622	S	S	.	*	H	α-helix	trans	-63.6	-42.7	175.9	0	0	0	0	0	112.6	T646 L653 L654	T646-A650 PolarHBondContact O-N 3.02Å; A650-L653 PolarHBondContact O-N 3.31Å; A650-L654 PolarHBondContact O-N 3.08Å
651	T	48.1	Very low	43.8	Very low	65 Å²	65	118 Å²	118	40%	0.399	63%	0.63	S	S	.	*	H	α-helix	trans	-72.5	-29.7	178.6	47.8	0	0	0	0	113.2	L647 F648 L654 L655	L647-T651 PolarHBondContact O-N 3.41Å; L647-T651 VanDerWaalsContact O-N 3.17Å; L647-T651 PolarHBondContact O-OG1 3.1Å; F648-T651 WeakPolarHBondContact CA-OG1 3.47Å; F648-T651 PolarHBondContact O-OG1 3.45Å; T651-L654 PolarHBondContact O-N 2.96Å; T651-L655 WeakPolarHBondContact O-CG 3.39Å; T651-L655 PolarHBondContact O-N 3.17Å; T651-L655 VanDerWaalsContact O-N 3.13Å
652	A	49	Very low	43.9	Very low	43 Å²	43	125.4 Å²	125.4	36%	0.355	66%	0.659	S	S	.	*	H	α-helix	trans	-62.6	-46.5	170.9	0	0	0	0	0	112.1	F648 L649 L654 L655 F656	F648-A652 WeakPolarHBondContact O-CB 3.07Å; F648-A652 PolarHBondContact O-N 2.97Å; L649-A652 PolarHBondContact O-N 3.01Å; A652-L654 VanDerWaalsContact C-N 3.35Å; A652-L654 PolarHBondContact O-N 2.8Å; A652-L655 PolarHBondContact O-N 3.05Å; A652-L655 VanDerWaalsContact O-N 3.14Å; A652-F656 WeakPolarHBondContact O-CD2 3.35Å; A652-F656 PolarHBondContact O-N 2.84Å; A652-F656 VanDerWaalsContact O-N 3.13Å
653	L	48.3	Very low	44.3	Very low	129 Å²	129	127.9 Å²	127.9	68%	0.675	66%	0.66	S	S	*	*	H	α-helix	trans	-61	-40.5	177.4	-80.4	161	0	0	0	112.4	L649 A650 L655 F656 S657	L649-L653 PolarHBondContact O-N 2.87Å; A650-L653 PolarHBondContact O-N 3.31Å; L653-L655 VanDerWaalsContact C-N 3.32Å; L653-L655 PolarHBondContact O-N 2.87Å; L653-F656 PolarHBondContact O-N 2.93Å; L653-S657 PolarHBondContact O-N 3.15Å
654	L	50.2	Low	44.6	Very low	120 Å²	120	131.8 Å²	131.8	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-68.5	-24.2	175.1	-87.7	163.2	0	0	0	114.4	A650 T651 A652 S657	A650-L654 PolarHBondContact O-N 3.08Å; T651-L654 PolarHBondContact O-N 2.96Å; A652-L654 VanDerWaalsContact C-N 3.35Å; A652-L654 PolarHBondContact O-N 2.8Å; L654-S657 PolarHBondContact O-OG 2.79Å
655	L	46.8	Very low	44.8	Very low	126 Å²	126	133.4 Å²	133.4	66%	0.66	67%	0.673	S	S	*	*	H	α-helix	trans	-84.3	-26.7	176.2	-77.6	169	0	0	0	113.3	T651 A652 L653	T651-L655 WeakPolarHBondContact O-CG 3.39Å; T651-L655 PolarHBondContact O-N 3.17Å; T651-L655 VanDerWaalsContact O-N 3.13Å; A652-L655 PolarHBondContact O-N 3.05Å; A652-L655 VanDerWaalsContact O-N 3.14Å; L653-L655 VanDerWaalsContact C-N 3.32Å; L653-L655 PolarHBondContact O-N 2.87Å
656	F	48.7	Very low	45	Very low	180 Å²	180	136 Å²	136	79%	0.789	68%	0.678	S	S	*	*	H	α-helix	trans	-74.7	-32.9	173.8	-89.5	-79	0	0	0	112.9	A652 L653 R658	A652-F656 WeakPolarHBondContact O-CD2 3.35Å; A652-F656 PolarHBondContact O-N 2.84Å; A652-F656 VanDerWaalsContact O-N 3.13Å; L653-F656 PolarHBondContact O-N 2.93Å; F656-R658 PolarHBondContact O-N 3.02Å
657	S	48.1	Very low	45.2	Very low	90 Å²	90	138.6 Å²	138.6	63%	0.629	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-7.8	-179.9	65.5	0	0	0	0	115.3	L653 L654	L653-S657 PolarHBondContact O-N 3.15Å; L654-S657 PolarHBondContact O-OG 2.79Å
658	R	46.7	Very low	45.1	Very low	222 Å²	222	139.7 Å²	139.7	84%	0.838	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	6.8	-177.7	-76.9	-169.6	168.3	-167.5	-2.3	116.2	F656 K660	F656-R658 PolarHBondContact O-N 3.02Å; R658-K660 PolarHBondContact O-N 3.3Å
659	K	39.5	Very low	45.2	Very low	174 Å²	174	139.3 Å²	139.3	76%	0.757	69%	0.69	S	S	*	*	S	Bend	trans	-94.8	83.4	175.9	-90.3	-178.7	177.1	170.3	0	113.4
660	K	37.9	Very low	45.3	Very low	181 Å²	181	140.2 Å²	140.2	79%	0.787	69%	0.692	S	S	*	*			trans	73	122.3	163.3	-56.4	173.4	-175.5	178.1	0	113.2	R658	R658-K660 PolarHBondContact O-N 3.3Å
661	I	38.4	Very low	45.1	Very low	170 Å²	170	147.6 Å²	147.6	87%	0.872	71%	0.714	S	S	*	*			cis	50.6	84.2	23.6	-49.6	-179	0	0	0	111.5
662	K	39.4	Very low	44.8	Very low	271 Å²	271	155.1 Å²	155.1	100%	1.178	74%	0.743	S	S	*	*			trans	-144.2	0	160	-136.6	-164.3	179.6	-160.3	0	108.6

Retrieved 662 of 662 residues in 609 ms (Link to these results)

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