A0A096MHH0_POEFO Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MHH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 232 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	F	39.9	Very low	44.3	Very low	266 Å²	266	151.2 Å²	151.2	100%	1.167	86%	0.855	S	S	*	*				0	96.7	0	-83.5	-97	0	0	0	108.2
2	N	33.6	Very low	45.2	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	85%	0.849	S	S	*	*			trans	-122.3	108.2	172.3	-94.1	-23.6	0	0	0	107.2
3	L	37.3	Very low	45.3	Very low	170 Å²	170	147.8 Å²	147.8	89%	0.89	85%	0.85	S	S	*	*			trans	-95.9	106.6	179.5	-158.3	78.4	0	0	0	107.6	C5	L3-C5 PolarHBondContact O-N 3.37Å
4	L	42.1	Very low	45.8	Very low	163 Å²	163	150.4 Å²	150.4	85%	0.853	85%	0.85	S	S	*	*			trans	-80.5	111.9	171.2	-96.8	120	0	0	0	109.1	I6	L4-I6 PolarHBondContact O-N 3.48Å
5	C	40.7	Very low	46.4	Very low	120 Å²	120	149 Å²	149	81%	0.811	85%	0.846	S	S	*	*			trans	-75.8	107.6	170.1	-114.5	0	0	0	0	109.4	L3 L7	L3-C5 PolarHBondContact O-N 3.37Å; C5-L7 PolarHBondContact O-N 3.4Å
6	I	47.9	Very low	46.8	Very low	159 Å²	159	146.7 Å²	146.7	82%	0.815	84%	0.839	S	S	*	*			trans	-82.6	106.4	169.9	-60.1	178	0	0	0	107.6	L4 G8	L4-I6 PolarHBondContact O-N 3.48Å; I6-G8 PolarHBondContact O-N 3.2Å
7	L	48.3	Very low	47.2	Very low	156 Å²	156	142.2 Å²	142.2	82%	0.817	83%	0.832	S	S	*	*			trans	-73	101.5	168.4	-77.2	162.2	0	0	0	108.5	C5 F9	C5-L7 PolarHBondContact O-N 3.4Å; L7-F9 PolarHBondContact O-N 3.3Å
8	G	44.1	Very low	47.8	Very low	70 Å²	70	141.9 Å²	141.9	72%	0.722	83%	0.832	S	S	*	*			trans	-70.4	111.4	170	0	0	0	0	0	110.3	I6 A10	I6-G8 PolarHBondContact O-N 3.2Å; G8-A10 PolarHBondContact O-N 3.12Å; G8-A10 VanDerWaalsContact O-N 3.12Å
9	F	48.8	Very low	48.5	Very low	208 Å²	208	141.7 Å²	141.7	91%	0.912	83%	0.827	S	S	*	*			trans	-70.6	100.3	164.2	-88.2	-90.2	0	0	0	108.6	L7 A11	L7-F9 PolarHBondContact O-N 3.3Å; F9-A11 PolarHBondContact O-N 3.06Å
10	A	51.7	Low	49.6	Very low	98 Å²	98	137.2 Å²	137.2	81%	0.81	81%	0.807	S	S	*	*			trans	-73.4	103.4	164.9	0	0	0	0	0	108.1	G8 A12	G8-A10 PolarHBondContact O-N 3.12Å; G8-A10 VanDerWaalsContact O-N 3.12Å; A10-A12 PolarHBondContact O-N 3.2Å
11	A	53.3	Low	51.1	Low	89 Å²	89	138.7 Å²	138.7	74%	0.736	81%	0.806	S	S	*	*			trans	-66.4	104.3	167.8	0	0	0	0	0	108.2	F9 L13	F9-A11 PolarHBondContact O-N 3.06Å; A11-L13 PolarHBondContact O-N 2.98Å
12	A	55.1	Low	53.1	Low	94 Å²	94	129.2 Å²	129.2	78%	0.777	77%	0.77	S	S	*	*			trans	-65.9	103.4	168.9	0	0	0	0	0	108.1	A10 Q14	A10-A12 PolarHBondContact O-N 3.2Å; A12-Q14 PolarHBondContact O-N 3.04Å
13	L	46.8	Very low	55.6	Low	165 Å²	165	124.5 Å²	124.5	86%	0.864	75%	0.75	S	S	*	*			trans	-61.8	103.2	166.1	-86	113	0	0	0	107.9	A11 V15	A11-L13 PolarHBondContact O-N 2.98Å; L13-V15 PolarHBondContact O-N 3.14Å; L13-V15 VanDerWaalsContact O-N 3.14Å
14	Q	51.4	Low	57.7	Low	183 Å²	183	119 Å²	119	86%	0.855	72%	0.72	S	S	*	*			trans	-64.6	110.7	164.3	-72.7	175.7	-12.9	0	0	107.3	A12 P16	A12-Q14 PolarHBondContact O-N 3.04Å; Q14-P16 WeakPolarHBondContact O-CD 3.32Å
15	V	54.6	Low	59.4	Low	130 Å²	130	113.3 Å²	113.3	79%	0.788	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-62.8	119.4	168.7	-171.7	0	0	0	0	106.5	L13 G17	L13-V15 PolarHBondContact O-N 3.14Å; L13-V15 VanDerWaalsContact O-N 3.14Å; V15-G17 PolarHBondContact O-N 3.15Å; V15-G17 VanDerWaalsContact O-N 3.15Å
16	P	53.3	Low	61.3	Low	112 Å²	112	116.3 Å²	116.3	73%	0.727	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-59.3	122.7	173.9	-17.5	29.8	0	0	0	107.8	Q14 T18	Q14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-T18 PolarHBondContact O-N 3.07Å
17	G	54.1	Low	63.2	Low	70 Å²	70	109.4 Å²	109.4	72%	0.722	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.6	117.7	176.6	0	0	0	0	0	109.2	V15 L19	V15-G17 PolarHBondContact O-N 3.15Å; V15-G17 VanDerWaalsContact O-N 3.15Å; G17-L19 PolarHBondContact O-N 3.05Å; G17-L19 VanDerWaalsContact O-N 3.07Å
18	T	57.9	Low	65.4	Low	137 Å²	137	105.2 Å²	105.2	84%	0.84	63%	0.633	S	S	*	*			trans	-57.7	114.5	175	31.9	0	0	0	0	108.2	P16 A20	P16-T18 PolarHBondContact O-N 3.07Å; T18-A20 PolarHBondContact O-N 2.8Å
19	L	60.5	Low	67.9	Low	139 Å²	139	106 Å²	106	73%	0.728	63%	0.627	S	S	*	*			trans	-58.9	115.8	168.8	-69.4	172.6	0	0	0	106.4	G17 E21	G17-L19 PolarHBondContact O-N 3.05Å; G17-L19 VanDerWaalsContact O-N 3.07Å; L19-E21 PolarHBondContact O-N 2.72Å
20	A	71.1	Confident	70.2	Confident	51 Å²	51	101.1 Å²	101.1	42%	0.421	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-56.7	128.5	174.3	0	0	0	0	0	108.4	T18 P151	T18-A20 PolarHBondContact O-N 2.8Å; A20-P151 HydrophobicContact CB-CB 3.52Å; A20-P151 HydrophobicContact CB-CG 3.77Å; A20-P151 WeakPolarHBondContact O-CG 3.31Å
21	E	80.5	Confident	72.3	Confident	168 Å²	168	97.8 Å²	97.8	79%	0.785	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-80.3	146.8	-174.2	-64.8	-171.4	166.5	0	0	111.4	L19 S23	L19-E21 PolarHBondContact O-N 2.72Å; E21-S23 PolarHBondContact O-N 3.49Å
22	V	81.5	Confident	74.5	Confident	68 Å²	68	96.2 Å²	96.2	41%	0.412	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-64.7	126.6	170.4	173.6	0	0	0	0	108.1	I24 Y149	V22-I24 HydrophobicContact CG1-CD1 3.84Å; V22-Y149 WeakPolarHBondContact CA-O 3.22Å
23	S	86.1	Confident	76.6	Confident	65 Å²	65	95.5 Å²	95.5	46%	0.455	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.7	177.8	-175.1	0	0	0	0	110.3	E21 Y149	E21-S23 PolarHBondContact O-N 3.49Å; S23-Y149 PolarHBondContact N-O 3.46Å; S23-Y149 PolarHBondContact O-N 3.39Å
24	I	82.1	Confident	79	Confident	53 Å²	53	90.3 Å²	90.3	27%	0.272	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.2	177.7	-50.5	-53.1	0	0	0	108.8	V22 E67 A71 A148	V22-I24 HydrophobicContact CG1-CD1 3.84Å; I24-E67 HydrophobicContact CG2-CG 3.51Å; I24-A71 HydrophobicContact CD1-CB 3.36Å; I24-A71 HydrophobicContact CG1-CB 3.88Å; I24-A148 HydrophobicContact CD1-CB 3.61Å
25	T	77.5	Confident	81.3	Confident	45 Å²	45	81.6 Å²	81.6	28%	0.276	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.8	171.8	-51.6	0	0	0	0	107.7	T27 M147	T25-T27 PolarHBondContact O-N 3.2Å; T25-M147 HydrophobicContact CG2-CE 4.23Å; T25-M147 PolarHBondContact N-O 3.02Å
26	R	80.4	Confident	83.4	Confident	183 Å²	183	76.3 Å²	76.3	69%	0.691	45%	0.445	S	S	*	.			trans	-57.2	131.1	167.1	-77.5	-172	-178.5	138.4	3.1	108.9	T28 E67	R26-T28 PolarHBondContact O-N 3.17Å; R26-T28 VanDerWaalsContact O-N 3.07Å; R26-E67 WeakPolarHBondContact CG-OE1 3.43Å; R26-E67 IonicContact CZ-OE1 3.95Å; R26-E67 IonicContact NE-OE1 3.33Å; R26-E67 PolarHBondContact NE-OE1 3.22Å; R26-E67 IonicContact NE-OE2 3.73Å; R26-E67 IonicContact NH2-OE1 2.74Å
27	T	88.8	Confident	85.6	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.086	43%	0.432	C	S	.	.			trans	-61.1	114.2	178.4	-50.2	0	0	0	0	109.5	T25 E31 Q32 I35 W58 C145	T25-T27 PolarHBondContact O-N 3.2Å; T27-E31 HydrophobicContact CG2-CB 3.5Å; T27-E31 VanDerWaalsContact CG2-CB 3.5Å; T27-Q32 HydrophobicContact CG2-CG 3.83Å; T27-Q32 PolarHBondContact O-NE2 3.37Å; T27-I35 HydrophobicContact CG2-CD1 3.65Å; T27-W58 HydrophobicContact CG2-CH2 3.69Å; T27-W58 HydrophobicContact CG2-CZ2 4.21Å; T27-W58 HydrophobicContact CG2-CZ3 4.42Å; T27-C145 PolarHBondContact OG1-O 3.06Å
28	T	94.1	Very high	87.7	Confident	68 Å²	68	74 Å²	74	42%	0.417	41%	0.407	S	S	.	.			trans	-66.3	160.3	179.8	61.8	0	0	0	0	111.2	R26 T30 E31 Q32	R26-T28 PolarHBondContact O-N 3.17Å; R26-T28 VanDerWaalsContact O-N 3.07Å; T28-T30 PolarHBondContact O-N 3.29Å; T28-E31 WeakPolarHBondContact CB-OE2 3.31Å; T28-E31 WeakPolarHBondContact CG2-OE2 2.99Å; T28-E31 PolarHBondContact N-OE2 2.94Å; T28-E31 PolarHBondContact O-N 3.06Å; T28-E31 VanDerWaalsContact O-N 3.08Å; T28-E31 VanDerWaalsContact OG1-CG 3.26Å; T28-E31 WeakPolarHBondContact OG1-CG 3.04Å; T28-E31 PolarHBondContact OG1-N 3.15Å; T28-E31 PolarHBondContact OG1-OE2 2.76Å; T28-Q32 WeakPolarHBondContact O-CG 3.49Å; T28-Q32 PolarHBondContact O-N 2.04Å
29	S	95.5	Very high	89.6	Confident	86 Å²	86	67.5 Å²	67.5	60%	0.601	37%	0.367	S	S	*	.	H	α-helix	trans	-56.7	-35	177.4	52.3	0	0	0	0	113.3	T33	S29-T33 WeakPolarHBondContact O-CB 3.35Å; S29-T33 PolarHBondContact O-N 3.22Å; S29-T33 PolarHBondContact O-OG1 3.18Å
30	T	97	Very high	91.5	Very high	106 Å²	106	61 Å²	61	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-64.4	-48.1	174.2	-55.4	0	0	0	0	111.3	T28 T33 E34	T28-T30 PolarHBondContact O-N 3.29Å; T30-T33 WeakPolarHBondContact O-CB 3.48Å; T30-T33 PolarHBondContact O-N 2.96Å; T30-E34 PolarHBondContact O-N 3.45Å
31	E	97.8	Very high	92.8	Very high	28 Å²	28	62.5 Å²	62.5	13%	0.131	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-38.7	177	-69.9	167.8	129.7	0	0	111.8	T27 T28 T33 E34 I35	T27-E31 HydrophobicContact CG2-CB 3.5Å; T27-E31 VanDerWaalsContact CG2-CB 3.5Å; T28-E31 WeakPolarHBondContact CB-OE2 3.31Å; T28-E31 WeakPolarHBondContact CG2-OE2 2.99Å; T28-E31 PolarHBondContact N-OE2 2.94Å; T28-E31 PolarHBondContact O-N 3.06Å; T28-E31 VanDerWaalsContact O-N 3.08Å; T28-E31 VanDerWaalsContact OG1-CG 3.26Å; T28-E31 WeakPolarHBondContact OG1-CG 3.04Å; T28-E31 PolarHBondContact OG1-N 3.15Å; T28-E31 PolarHBondContact OG1-OE2 2.76Å; E31-T33 VanDerWaalsContact C-N 3.27Å; E31-T33 PolarHBondContact O-N 2.9Å; E31-E34 WeakPolarHBondContact O-CB 3.01Å; E31-E34 PolarHBondContact O-N 3.36Å; E31-I35 WeakPolarHBondContact O-CB 3.37Å; E31-I35 VanDerWaalsContact O-CD1 3.31Å; E31-I35 WeakPolarHBondContact O-CD1 3.19Å; E31-I35 WeakPolarHBondContact O-CG1 3.44Å; E31-I35 PolarHBondContact O-N 3.35Å
32	Q	98.5	Very high	93.7	Very high	56 Å²	56	55.2 Å²	55.2	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-45.2	174	-66.9	173.7	24.3	0	0	110.9	T27 T28 V36 W58	T27-Q32 HydrophobicContact CG2-CG 3.83Å; T27-Q32 PolarHBondContact O-NE2 3.37Å; T28-Q32 WeakPolarHBondContact O-CG 3.49Å; T28-Q32 PolarHBondContact O-N 2.04Å; Q32-V36 WeakPolarHBondContact O-CB 3.48Å; Q32-V36 WeakPolarHBondContact O-CG2 2.99Å; Q32-V36 PolarHBondContact O-N 3.35Å; Q32-W58 HydrophobicContact CB-CD2 3.92Å; Q32-W58 HydrophobicContact CB-CE3 4.05Å; Q32-W58 HydrophobicContact CB-CG 4.27Å; Q32-W58 HydrophobicContact CB-CZ3 4.4Å; Q32-W58 HydrophobicContact CG-CD2 3.73Å; Q32-W58 VanDerWaalsContact CG-CE2 3.46Å; Q32-W58 HydrophobicContact CG-CE3 4.09Å; Q32-W58 HydrophobicContact CG-CG 4.27Å; Q32-W58 HydrophobicContact CG-CH2 3.93Å; Q32-W58 HydrophobicContact CG-CZ2 3.58Å; Q32-W58 HydrophobicContact CG-CZ3 4.19Å
33	T	98.4	Very high	94.5	Very high	78 Å²	78	52.1 Å²	52.1	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-45	177.5	-58.5	0	0	0	0	111.2	S29 T30 E31 V36 N37	S29-T33 WeakPolarHBondContact O-CB 3.35Å; S29-T33 PolarHBondContact O-N 3.22Å; S29-T33 PolarHBondContact O-OG1 3.18Å; T30-T33 WeakPolarHBondContact O-CB 3.48Å; T30-T33 PolarHBondContact O-N 2.96Å; E31-T33 VanDerWaalsContact C-N 3.27Å; E31-T33 PolarHBondContact O-N 2.9Å; T33-V36 PolarHBondContact O-N 3.08Å; T33-N37 WeakPolarHBondContact CG2-ND2 3.34Å; T33-N37 WeakPolarHBondContact O-CB 3.14Å; T33-N37 PolarHBondContact O-N 3.27Å; T33-N37 PolarHBondContact O-ND2 2.97Å
34	E	98.6	Very high	95.1	Very high	56 Å²	56	51.6 Å²	51.6	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-51.4	175.5	-176	-167.7	166.2	0	0	111.3	T30 E31 V36 N37 K38 S104	T30-E34 PolarHBondContact O-N 3.45Å; E31-E34 WeakPolarHBondContact O-CB 3.01Å; E31-E34 PolarHBondContact O-N 3.36Å; E34-V36 PolarHBondContact O-N 2.83Å; E34-N37 PolarHBondContact O-N 3.35Å; E34-K38 VanDerWaalsContact O-CB 3.26Å; E34-K38 WeakPolarHBondContact O-CB 3.25Å; E34-K38 PolarHBondContact O-N 3.49Å; E34-S104 WeakPolarHBondContact CG-OG 3.18Å; E34-S104 VanDerWaalsContact OE1-CB 3.24Å; E34-S104 WeakPolarHBondContact OE1-CB 3.41Å; E34-S104 PolarHBondContact OE1-N 3.31Å; E34-S104 PolarHBondContact OE1-OG 2.86Å
35	I	98.9	Very high	95.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-52.8	-178.7	-69.1	159.4	0	0	0	110.3	T27 E31 N37 K38 H39 W58 W103 I107 I143 C145	T27-I35 HydrophobicContact CG2-CD1 3.65Å; E31-I35 WeakPolarHBondContact O-CB 3.37Å; E31-I35 VanDerWaalsContact O-CD1 3.31Å; E31-I35 WeakPolarHBondContact O-CD1 3.19Å; E31-I35 WeakPolarHBondContact O-CG1 3.44Å; E31-I35 PolarHBondContact O-N 3.35Å; I35-N37 PolarHBondContact O-N 2.97Å; I35-K38 PolarHBondContact O-N 3.04Å; I35-H39 PolarHBondContact O-N 2.7Å; I35-H39 PolarHBondContact O-ND1 3.07Å; I35-W58 HydrophobicContact CB-CZ3 4.32Å; I35-W58 HydrophobicContact CD1-CH2 4.08Å; I35-W58 HydrophobicContact CD1-CZ3 3.73Å; I35-W58 HydrophobicContact CG2-CZ3 4.12Å; I35-W103 HydrophobicContact CD1-CB 4.41Å; I35-W103 HydrophobicContact CD1-CD2 3.54Å; I35-W103 HydrophobicContact CD1-CE3 3.96Å; I35-W103 HydrophobicContact CD1-CG 3.75Å; I35-W103 HydrophobicContact CD1-CZ2 4.24Å; I35-W103 HydrophobicContact CD1-CZ3 4.47Å; I35-W103 HydrophobicContact CG1-CB 3.68Å; I35-W103 HydrophobicContact CG1-CD2 3.69Å; I35-W103 HydrophobicContact CG1-CE3 3.98Å; I35-W103 HydrophobicContact CG1-CG 3.56Å; I35-I107 HydrophobicContact CB-CD1 4.24Å; I35-I107 HydrophobicContact CG1-CD1 4.18Å; I35-I107 HydrophobicContact CG2-CD1 4.12Å; I35-I143 HydrophobicContact CG2-CD1 3.93Å; I35-I143 HydrophobicContact CG2-CG2 4.48Å; I35-C145 HydrophobicContact CD1-CB 4.04Å
36	V	98.8	Very high	96.9	Very high	20 Å²	20	49.2 Å²	49.2	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-43.7	-178.4	169.6	0	0	0	0	110.9	Q32 T33 E34 H39 N40 M56 W58 I143	Q32-V36 WeakPolarHBondContact O-CB 3.48Å; Q32-V36 WeakPolarHBondContact O-CG2 2.99Å; Q32-V36 PolarHBondContact O-N 3.35Å; T33-V36 PolarHBondContact O-N 3.08Å; E34-V36 PolarHBondContact O-N 2.83Å; V36-H39 PolarHBondContact O-N 2.78Å; V36-N40 WeakPolarHBondContact CG1-ND2 3.39Å; V36-N40 WeakPolarHBondContact O-CB 3.4Å; V36-N40 PolarHBondContact O-N 2.97Å; V36-N40 PolarHBondContact O-ND2 3.11Å; V36-M56 WeakPolarHBondContact CG1-O 3.37Å; V36-W58 HydrophobicContact CG2-CB 4.01Å; V36-W58 HydrophobicContact CG2-CE3 4.23Å; V36-I143 HydrophobicContact CG2-CG2 3.98Å
37	N	98.8	Very high	97.7	Very high	87 Å²	87	47.2 Å²	47.2	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-40.9	179.9	-74.5	-15.6	0	0	0	112	T33 E34 I35 N40 T41	T33-N37 WeakPolarHBondContact CG2-ND2 3.34Å; T33-N37 WeakPolarHBondContact O-CB 3.14Å; T33-N37 PolarHBondContact O-N 3.27Å; T33-N37 PolarHBondContact O-ND2 2.97Å; E34-N37 PolarHBondContact O-N 3.35Å; I35-N37 PolarHBondContact O-N 2.97Å; N37-N40 PolarHBondContact O-N 2.9Å; N37-T41 VanDerWaalsContact O-CB 3.31Å; N37-T41 WeakPolarHBondContact O-CB 3.42Å; N37-T41 PolarHBondContact O-N 2.92Å; N37-T41 PolarHBondContact O-OG1 2.85Å
38	K	98.9	Very high	98.2	Very high	46 Å²	46	48.6 Å²	48.6	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-48.9	176.5	-178.7	64.8	177.1	179.1	0	111	E34 I35 T41 L42 I107	E34-K38 VanDerWaalsContact O-CB 3.26Å; E34-K38 WeakPolarHBondContact O-CB 3.25Å; E34-K38 PolarHBondContact O-N 3.49Å; I35-K38 PolarHBondContact O-N 3.04Å; K38-T41 PolarHBondContact O-N 2.74Å; K38-L42 HydrophobicContact CD-CD1 4.42Å; K38-L42 HydrophobicContact CG-CD1 4.28Å; K38-L42 WeakPolarHBondContact O-CG 3.27Å; K38-L42 PolarHBondContact O-N 2.8Å; K38-I107 HydrophobicContact CB-CD1 4.07Å; K38-I107 HydrophobicContact CG-CB 3.92Å; K38-I107 HydrophobicContact CG-CD1 4.05Å; K38-I107 HydrophobicContact CG-CG2 3.66Å
39	H	98.9	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-50.3	176.7	-76.8	85	0	0	0	111.6	I35 V36 T41 L42 R43 M56 I107 I143 Y163	I35-H39 PolarHBondContact O-N 2.7Å; I35-H39 PolarHBondContact O-ND1 3.07Å; V36-H39 PolarHBondContact O-N 2.78Å; H39-T41 VanDerWaalsContact C-N 3.28Å; H39-T41 PolarHBondContact O-N 2.83Å; H39-L42 PolarHBondContact O-N 2.75Å; H39-R43 WeakPolarHBondContact O-CB 3.47Å; H39-R43 WeakPolarHBondContact O-CG 3.45Å; H39-R43 PolarHBondContact O-N 3.22Å; H39-M56 HydrophobicContact CB-SD 3.68Å; H39-I107 VanDerWaalsContact CE1-CD1 3.41Å; H39-I107 WeakPolarHBondContact CE1-CD1 3.44Å; H39-I143 WeakPolarHBondContact CE1-CD1 3.48Å; H39-I143 WeakPolarHBondContact NE2-CD1 3.38Å; H39-Y163 AromaticContact CD2-CE1 3.81Å; H39-Y163 AromaticContact NE2-CE1 3.49Å; H39-Y163 WeakPolarHBondContact NE2-CE1 3.39Å; H39-Y163 AromaticContact NE2-CZ 3.65Å; H39-Y163 PolarHBondContact NE2-OH 2.76Å
40	N	98.9	Very high	98.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-33.6	179.9	-76.4	-35.8	0	0	0	112.4	V36 N37 R44 M56 L192	V36-N40 WeakPolarHBondContact CG1-ND2 3.39Å; V36-N40 WeakPolarHBondContact O-CB 3.4Å; V36-N40 PolarHBondContact O-N 2.97Å; V36-N40 PolarHBondContact O-ND2 3.11Å; N37-N40 PolarHBondContact O-N 2.9Å; N40-R44 WeakPolarHBondContact O-CG 3.42Å; N40-R44 PolarHBondContact O-N 2.87Å; N40-R44 VanDerWaalsContact O-N 3.11Å; N40-M56 PolarHBondContact ND2-O 3.46Å; N40-M56 WeakPolarHBondContact OD1-CB 3.46Å; N40-M56 PolarHBondContact OD1-N 3.07Å; N40-L192 HydrophobicContact CB-CD1 3.75Å; N40-L192 WeakPolarHBondContact OD1-CD1 3.28Å
41	T	98.9	Very high	98.6	Very high	84 Å²	84	39 Å²	39	52%	0.515	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-47.9	173.8	-60.6	0	0	0	0	111.2	N37 K38 H39 R44 G45	N37-T41 VanDerWaalsContact O-CB 3.31Å; N37-T41 WeakPolarHBondContact O-CB 3.42Å; N37-T41 PolarHBondContact O-N 2.92Å; N37-T41 PolarHBondContact O-OG1 2.85Å; K38-T41 PolarHBondContact O-N 2.74Å; H39-T41 VanDerWaalsContact C-N 3.28Å; H39-T41 PolarHBondContact O-N 2.83Å; T41-R44 PolarHBondContact O-N 3.19Å; T41-G45 PolarHBondContact O-N 2.65Å
42	L	98.9	Very high	98.6	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-41.3	178.1	-67.5	171.3	0	0	0	112.1	K38 H39 R44 G45 V46 I107 Y111 V135	K38-L42 HydrophobicContact CD-CD1 4.42Å; K38-L42 HydrophobicContact CG-CD1 4.28Å; K38-L42 WeakPolarHBondContact O-CG 3.27Å; K38-L42 PolarHBondContact O-N 2.8Å; H39-L42 PolarHBondContact O-N 2.75Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 3.08Å; L42-G45 PolarHBondContact O-N 3.02Å; L42-V46 PolarHBondContact O-N 3.2Å; L42-I107 HydrophobicContact CD1-CG2 3.76Å; L42-Y111 HydrophobicContact CB-CD2 3.82Å; L42-Y111 HydrophobicContact CB-CE2 3.77Å; L42-Y111 HydrophobicContact CD1-CD2 3.78Å; L42-Y111 HydrophobicContact CD1-CG 3.88Å; L42-Y111 HydrophobicContact CD2-CD1 3.86Å; L42-Y111 HydrophobicContact CD2-CD2 3.84Å; L42-Y111 HydrophobicContact CD2-CE1 3.99Å; L42-Y111 HydrophobicContact CD2-CE2 3.95Å; L42-Y111 HydrophobicContact CD2-CG 3.77Å; L42-Y111 HydrophobicContact CG-CD2 4.02Å; L42-Y111 HydrophobicContact CG-CE2 4.28Å; L42-Y111 HydrophobicContact CG-CG 4.28Å; L42-V135 HydrophobicContact CB-CG1 4.41Å; L42-V135 HydrophobicContact CD1-CG1 4.08Å
43	R	98.9	Very high	98.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-33.9	177.5	-71.1	169.2	76.6	78.7	-1.6	113	H39 G45 M53 M54 V135 W137 A138 L192	H39-R43 WeakPolarHBondContact O-CB 3.47Å; H39-R43 WeakPolarHBondContact O-CG 3.45Å; H39-R43 PolarHBondContact O-N 3.22Å; R43-G45 VanDerWaalsContact C-N 3.3Å; R43-M53 HydrophobicContact CB-CG 3.84Å; R43-M53 HydrophobicContact CB-SD 4.04Å; R43-M53 HydrophobicContact CG-CG 4.42Å; R43-M53 HydrophobicContact CG-SD 4.02Å; R43-M53 PolarHBondContact NH2-SD 3.1Å; R43-M54 VanDerWaalsContact CZ-O 3.24Å; R43-M54 PolarHBondContact NE-O 3.15Å; R43-M54 PolarHBondContact NH2-O 3.47Å; R43-V135 WeakPolarHBondContact CG-O 3.18Å; R43-V135 PolarHBondContact NH1-O 3.22Å; R43-W137 VanDerWaalsContact CZ-O 3.28Å; R43-W137 PolarHBondContact NH1-O 3.18Å; R43-W137 PolarHBondContact NH2-O 3.05Å; R43-A138 PolarHBondContact NH2-O 2.73Å; R43-L192 HydrophobicContact CB-CD2 3.78Å
44	R	98.8	Very high	98.6	Very high	54 Å²	54	33.2 Å²	33.2	20%	0.204	18%	0.184	C	C	.	.	H	α-helix	trans	-70.7	-26.1	173.2	-71.7	174.6	-178.2	118.2	-4.8	113.5	N40 T41 L42 D189 N190 K191 L192	N40-R44 WeakPolarHBondContact O-CG 3.42Å; N40-R44 PolarHBondContact O-N 2.87Å; N40-R44 VanDerWaalsContact O-N 3.11Å; T41-R44 PolarHBondContact O-N 3.19Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 3.08Å; R44-D189 IonicContact NH2-OD1 3.92Å; R44-N190 WeakPolarHBondContact CD-O 3.4Å; R44-N190 WeakPolarHBondContact CG-O 3.27Å; R44-N190 PolarHBondContact NE-ND2 3.33Å; R44-N190 PolarHBondContact NE-O 2.75Å; R44-K191 HydrophobicContact CG-CB 4.27Å; R44-L192 HydrophobicContact CG-CD1 3.92Å; R44-L192 HydrophobicContact CG-CD2 3.92Å; R44-L192 HydrophobicContact CG-CG 3.65Å
45	G	98.3	Very high	98.6	Very high	44 Å²	44	34.3 Å²	34.3	45%	0.454	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.9	-172.5	0	0	0	0	0	114.9	T41 L42 R43	T41-G45 PolarHBondContact O-N 2.65Å; L42-G45 PolarHBondContact O-N 3.02Å; R43-G45 VanDerWaalsContact C-N 3.3Å
46	V	98.7	Very high	98.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	19%	0.188	C	C	.	.			trans	-66.4	148.2	-176.2	-60.3	0	0	0	0	112.6	L42 P48 A50 M53 V136 Y175	L42-V46 PolarHBondContact O-N 3.2Å; V46-P48 CarbonylContact C-O 3.49Å; V46-A50 HydrophobicContact CG2-CB 3.91Å; V46-M53 HydrophobicContact CG1-CE 4.13Å; V46-M53 HydrophobicContact CG2-CE 4.03Å; V46-V136 HydrophobicContact CG1-CB 3.92Å; V46-V136 HydrophobicContact CG1-CG1 3.58Å; V46-Y175 HydrophobicContact CB-CE1 3.97Å; V46-Y175 HydrophobicContact CG1-CE1 4.19Å; V46-Y175 HydrophobicContact CG2-CE1 4.03Å; V46-Y175 HydrophobicContact CG2-CE2 4.18Å
47	Q	97.7	Very high	98.5	Very high	142 Å²	142	36.2 Å²	36.2	66%	0.664	20%	0.202	S	C	*	.	S	Bend	trans	-131.4	126.4	174.9	-68.2	-62.4	-15.9	0	0	110	Y175	Q47-Y175 PolarHBondContact O-OH 2.92Å
48	P	98.5	Very high	98.5	Very high	43 Å²	43	34.4 Å²	34.4	28%	0.279	19%	0.188	S	C	.	.	S	Bend	cis	-63.2	162.8	-3.9	31	-36.8	0	0	0	111.9	V46 Y119 Y175 S177	V46-P48 CarbonylContact C-O 3.49Å; P48-Y119 VanDerWaalsContact CD-CB 3.46Å; P48-Y119 HydrophobicContact CG-CD1 3.75Å; P48-Y119 HydrophobicContact CG-CD2 4.01Å; P48-Y119 HydrophobicContact CG-CE1 4.22Å; P48-Y119 HydrophobicContact CG-CE2 4.45Å; P48-Y119 HydrophobicContact CG-CG 3.65Å; P48-Y175 HydrophobicContact CG-CE2 4.46Å; P48-Y175 WeakPolarHBondContact O-CE2 3.12Å; P48-Y175 PolarHBondContact O-OH 3.38Å; P48-S177 WeakPolarHBondContact CB-OG 3.34Å; P48-S177 WeakPolarHBondContact CG-OG 3.3Å
49	T	98.8	Very high	98.5	Very high	51 Å²	51	33.4 Å²	33.4	31%	0.313	19%	0.185	S	C	.	.			trans	-63.4	151.3	179.8	54.5	0	0	0	0	111.8	S177 G178	T49-S177 CarbonylContact O-C 3.59Å; T49-S177 WeakPolarHBondContact O-CA 3.3Å; T49-G178 CarbonylContact C-O 3.49Å; T49-G178 VanDerWaalsContact C-O 3.23Å; T49-G178 WeakPolarHBondContact CB-O 3.45Å; T49-G178 PolarHBondContact O-N 2.84Å; T49-G178 PolarHBondContact OG1-O 2.88Å
50	A	98.8	Very high	98.5	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-106.9	130.1	-176.3	0	0	0	0	0	112.4	V46 M53 Y175 K176 S180	V46-A50 HydrophobicContact CG2-CB 3.91Å; A50-M53 HydrophobicContact CB-CB 3.78Å; A50-M53 HydrophobicContact CB-CE 3.8Å; A50-Y175 HydrophobicContact CB-CD2 3.36Å; A50-Y175 HydrophobicContact CB-CE2 3.87Å; A50-Y175 HydrophobicContact CB-CG 3.74Å; A50-K176 CarbonylContact C-O 3.5Å; A50-K176 WeakPolarHBondContact CA-O 3.29Å; A50-S180 WeakPolarHBondContact O-CA 3.35Å
51	S	98.3	Very high	98.4	Very high	5 Å²	5	45 Å²	45	4%	0.035	24%	0.237	C	C	.	.	S	Bend	trans	-81.8	-23	177.8	58.9	0	0	0	0	114.4	K176 T179 C181 G182 D183	S51-K176 PolarHBondContact N-O 3.25Å; S51-K176 WeakPolarHBondContact OG-CG 3.49Å; S51-K176 PolarHBondContact OG-O 2.65Å; S51-T179 VanDerWaalsContact CA-O 3.23Å; S51-T179 WeakPolarHBondContact CA-O 3.45Å; S51-T179 WeakPolarHBondContact CB-O 3.23Å; S51-C181 CarbonylContact O-C 3.51Å; S51-C181 WeakPolarHBondContact O-CA 3.48Å; S51-G182 PolarHBondContact O-N 3.49Å; S51-D183 WeakPolarHBondContact CB-OD2 3.2Å; S51-D183 PolarHBondContact O-N 2.81Å; S51-D183 PolarHBondContact OG-OD2 3.08Å
52	N	97.4	Very high	98.4	Very high	24 Å²	24	41 Å²	41	13%	0.128	21%	0.213	C	C	.	.	S	Bend	trans	-124.1	19.2	-171.3	66.9	-15	0	0	0	114.9	M54 K176 D183 I231	N52-M54 PolarHBondContact O-N 3.04Å; N52-M54 VanDerWaalsContact O-N 3.1Å; N52-K176 PolarHBondContact OD1-N 3.23Å; N52-D183 HydrophobicContact CB-CB 4.14Å; N52-D183 WeakPolarHBondContact CB-OD2 3.18Å; N52-I231 HydrophobicContact CB-CD1 3.54Å
53	M	98.7	Very high	98.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.214	C	C	.	.			trans	-69.1	109.3	-174.1	-174.4	68.3	69.3	0	0	111.4	R43 V46 A50 V136 Y175 L192 C193	R43-M53 HydrophobicContact CB-CG 3.84Å; R43-M53 HydrophobicContact CB-SD 4.04Å; R43-M53 HydrophobicContact CG-CG 4.42Å; R43-M53 HydrophobicContact CG-SD 4.02Å; R43-M53 PolarHBondContact NH2-SD 3.1Å; V46-M53 HydrophobicContact CG1-CE 4.13Å; V46-M53 HydrophobicContact CG2-CE 4.03Å; A50-M53 HydrophobicContact CB-CB 3.78Å; A50-M53 HydrophobicContact CB-CE 3.8Å; M53-V136 HydrophobicContact CE-CB 4.27Å; M53-V136 VanDerWaalsContact CE-O 3.31Å; M53-V136 WeakPolarHBondContact CE-O 3.26Å; M53-Y175 HydrophobicContact CE-CD1 3.49Å; M53-Y175 VanDerWaalsContact CE-CD1 3.49Å; M53-Y175 HydrophobicContact CE-CE1 4.17Å; M53-Y175 HydrophobicContact CE-CG 3.77Å; M53-L192 HydrophobicContact CB-CD2 4.08Å; M53-L192 HydrophobicContact CG-CD2 3.48Å; M53-L192 VanDerWaalsContact CG-CD2 3.48Å; M53-L192 CarbonylContact O-C 3.46Å; M53-L192 WeakPolarHBondContact O-CA 2.98Å; M53-C193 PolarHBondContact O-N 2.8Å
54	M	98.1	Very high	98.4	Very high	14 Å²	14	44 Å²	44	7%	0.069	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-69.8	142.5	179.5	-62.1	-62.9	-71	0	0	111.8	R43 N52 A138 K141 C193	R43-M54 VanDerWaalsContact CZ-O 3.24Å; R43-M54 PolarHBondContact NE-O 3.15Å; R43-M54 PolarHBondContact NH2-O 3.47Å; N52-M54 PolarHBondContact O-N 3.04Å; N52-M54 VanDerWaalsContact O-N 3.1Å; M54-A138 WeakPolarHBondContact CB-O 3.31Å; M54-A138 WeakPolarHBondContact CG-O 3.41Å; M54-A138 PolarHBondContact N-O 2.8Å; M54-K141 HydrophobicContact CB-CB 3.94Å; M54-K141 HydrophobicContact CE-CD 4.2Å; M54-C193 CarbonylContact C-O 3.4Å; M54-C193 WeakPolarHBondContact CA-O 3.45Å; M54-C193 HydrophobicContact SD-CB 3.58Å; M54-C193 VanDerWaalsContact SD-CB 3.58Å
55	K	98.4	Very high	98.4	Very high	79 Å²	79	42.6 Å²	42.6	34%	0.343	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-67.8	129.3	167.4	-174.3	177.8	178.7	-179.5	0	108.8	D189 L192 C193	K55-D189 HydrophobicContact CD-CB 4.38Å; K55-D189 WeakPolarHBondContact CD-OD2 3.42Å; K55-D189 WeakPolarHBondContact CE-OD2 3.44Å; K55-D189 IonicContact NZ-OD2 2.63Å; K55-D189 PolarHBondContact NZ-OD2 2.71Å; K55-L192 HydrophobicContact CB-CB 3.87Å; K55-L192 HydrophobicContact CB-CD1 4.18Å; K55-L192 HydrophobicContact CG-CD1 4.11Å; K55-C193 WeakPolarHBondContact CB-O 3.45Å; K55-C193 PolarHBondContact N-O 2.63Å
56	M	98.3	Very high	98.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-85.2	141.2	178.8	-165.7	173.5	-84.1	0	0	110.8	V36 H39 N40 S140 K141 I143 Y163	V36-M56 WeakPolarHBondContact CG1-O 3.37Å; H39-M56 HydrophobicContact CB-SD 3.68Å; N40-M56 PolarHBondContact ND2-O 3.46Å; N40-M56 WeakPolarHBondContact OD1-CB 3.46Å; N40-M56 PolarHBondContact OD1-N 3.07Å; M56-S140 WeakPolarHBondContact CE-O 3.49Å; M56-K141 CarbonylContact C-O 3.58Å; M56-K141 VanDerWaalsContact CA-O 3.26Å; M56-K141 WeakPolarHBondContact CA-O 3.29Å; M56-I143 HydrophobicContact CG-CB 3.94Å; M56-I143 HydrophobicContact CG-CG2 3.68Å; M56-I143 HydrophobicContact SD-CB 3.58Å; M56-I143 VanDerWaalsContact SD-CB 3.58Å; M56-I143 HydrophobicContact SD-CD1 3.82Å; M56-I143 HydrophobicContact SD-CG1 4.26Å; M56-I143 HydrophobicContact SD-CG2 3.61Å; M56-Y163 HydrophobicContact CE-CD1 3.79Å; M56-Y163 HydrophobicContact CE-CE1 4.09Å
57	S	98	Very high	98.3	Very high	58 Å²	58	42.5 Å²	42.5	41%	0.406	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.2	173.6	50.2	0	0	0	0	111.8	K141 N142 I143	S57-K141 PolarHBondContact N-O 3.39Å; S57-K141 PolarHBondContact OG-O 3.21Å; S57-N142 WeakPolarHBondContact O-CA 3.24Å; S57-N142 PolarHBondContact OG-OD1 2.95Å; S57-I143 PolarHBondContact O-N 3.09Å
58	W	98.6	Very high	98.3	Very high	49 Å²	49	42.3 Å²	42.3	19%	0.186	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.9	175.9	-171.1	-101.3	0	0	0	111.6	T27 Q32 I35 V36 A63 I143 C145	T27-W58 HydrophobicContact CG2-CH2 3.69Å; T27-W58 HydrophobicContact CG2-CZ2 4.21Å; T27-W58 HydrophobicContact CG2-CZ3 4.42Å; Q32-W58 HydrophobicContact CB-CD2 3.92Å; Q32-W58 HydrophobicContact CB-CE3 4.05Å; Q32-W58 HydrophobicContact CB-CG 4.27Å; Q32-W58 HydrophobicContact CB-CZ3 4.4Å; Q32-W58 HydrophobicContact CG-CD2 3.73Å; Q32-W58 VanDerWaalsContact CG-CE2 3.46Å; Q32-W58 HydrophobicContact CG-CE3 4.09Å; Q32-W58 HydrophobicContact CG-CG 4.27Å; Q32-W58 HydrophobicContact CG-CH2 3.93Å; Q32-W58 HydrophobicContact CG-CZ2 3.58Å; Q32-W58 HydrophobicContact CG-CZ3 4.19Å; I35-W58 HydrophobicContact CB-CZ3 4.32Å; I35-W58 HydrophobicContact CD1-CH2 4.08Å; I35-W58 HydrophobicContact CD1-CZ3 3.73Å; I35-W58 HydrophobicContact CG2-CZ3 4.12Å; V36-W58 HydrophobicContact CG2-CB 4.01Å; V36-W58 HydrophobicContact CG2-CE3 4.23Å; W58-A63 HydrophobicContact CH2-CB 4.33Å; W58-A63 HydrophobicContact CZ2-CB 3.42Å; W58-A63 VanDerWaalsContact CZ2-CB 3.42Å; W58-I143 CarbonylContact C-O 3.38Å; W58-I143 WeakPolarHBondContact CA-O 3.31Å; W58-I143 HydrophobicContact CE3-CG2 4.3Å; W58-C145 HydrophobicContact CH2-CB 3.95Å; W58-C145 WeakPolarHBondContact CH2-O 3.42Å; W58-C145 HydrophobicContact CZ3-CB 4.19Å
59	N	98.5	Very high	98.3	Very high	26 Å²	26	42.4 Å²	42.4	14%	0.139	21%	0.209	C	C	.	.			trans	-125.7	124.5	175.6	-177.7	-74.4	0	0	0	111	E61 A62 A63 N142 I143	N59-E61 WeakPolarHBondContact OD1-CB 3.45Å; N59-E61 PolarHBondContact OD1-N 3.5Å; N59-A62 HydrophobicContact CB-CB 4.13Å; N59-A62 PolarHBondContact OD1-N 3.25Å; N59-A63 PolarHBondContact O-N 2.86Å; N59-A63 VanDerWaalsContact O-N 3.09Å; N59-N142 HydrophobicContact CB-CB 3.87Å; N59-I143 PolarHBondContact N-O 2.93Å
60	K	98.3	Very high	98.3	Very high	166 Å²	166	40 Å²	40	72%	0.722	19%	0.194	S	C	*	.	H	α-helix	trans	-71.7	-33.1	-175	-65.5	-177.9	-179.6	178.9	0	113.6	A63 T64	K60-A63 PolarHBondContact O-N 3.17Å; K60-T64 WeakPolarHBondContact O-CB 3.42Å; K60-T64 PolarHBondContact O-N 3.27Å; K60-T64 PolarHBondContact O-OG1 2.91Å
61	E	98.4	Very high	98.2	Very high	80 Å²	80	41.8 Å²	41.8	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-68.4	-45.7	177.3	-64.8	179.1	-124.5	0	0	110.4	N59 A63 T64 N65 I85 S86	N59-E61 WeakPolarHBondContact OD1-CB 3.45Å; N59-E61 PolarHBondContact OD1-N 3.5Å; E61-A63 VanDerWaalsContact C-N 3.3Å; E61-A63 PolarHBondContact O-N 3.31Å; E61-T64 WeakPolarHBondContact O-CB 3.14Å; E61-T64 PolarHBondContact O-N 3.25Å; E61-N65 PolarHBondContact O-N 3.42Å; E61-I85 HydrophobicContact CB-CB 3.96Å; E61-I85 HydrophobicContact CB-CG2 3.59Å; E61-S86 WeakPolarHBondContact OE1-CB 3.21Å; E61-S86 PolarHBondContact OE1-OG 2.96Å; E61-S86 WeakPolarHBondContact OE2-CB 3.45Å; E61-S86 PolarHBondContact OE2-N 2.89Å; E61-S86 PolarHBondContact OE2-OG 3.48Å
62	A	98.7	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-41.9	174.6	0	0	0	0	0	111.6	N59 N65 A66 I85 H162	N59-A62 HydrophobicContact CB-CB 4.13Å; N59-A62 PolarHBondContact OD1-N 3.25Å; A62-N65 PolarHBondContact O-N 3.11Å; A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 2.92Å; A62-I85 HydrophobicContact CB-CG2 4.21Å; A62-H162 HydrophobicContact CB-CB 4.26Å
63	A	98.6	Very high	98.1	Very high	14 Å²	14	44.5 Å²	44.5	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-41.1	177.2	0	0	0	0	0	112.2	W58 N59 K60 E61 N65 A66 E67	W58-A63 HydrophobicContact CH2-CB 4.33Å; W58-A63 HydrophobicContact CZ2-CB 3.42Å; W58-A63 VanDerWaalsContact CZ2-CB 3.42Å; N59-A63 PolarHBondContact O-N 2.86Å; N59-A63 VanDerWaalsContact O-N 3.09Å; K60-A63 PolarHBondContact O-N 3.17Å; E61-A63 VanDerWaalsContact C-N 3.3Å; E61-A63 PolarHBondContact O-N 3.31Å; A63-N65 VanDerWaalsContact C-N 3.32Å; A63-N65 PolarHBondContact O-N 2.84Å; A63-A66 PolarHBondContact O-N 3.49Å; A63-E67 WeakPolarHBondContact O-CB 3.47Å; A63-E67 PolarHBondContact O-N 3.07Å
64	T	98.1	Very high	98	Very high	64 Å²	64	46.3 Å²	46.3	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-41.9	174.7	-58.5	0	0	0	0	111.5	K60 E61 E67 K68	K60-T64 WeakPolarHBondContact O-CB 3.42Å; K60-T64 PolarHBondContact O-N 3.27Å; K60-T64 PolarHBondContact O-OG1 2.91Å; E61-T64 WeakPolarHBondContact O-CB 3.14Å; E61-T64 PolarHBondContact O-N 3.25Å; T64-E67 PolarHBondContact O-N 2.99Å; T64-K68 WeakPolarHBondContact O-CG 3.45Å; T64-K68 PolarHBondContact O-N 3.19Å; T64-K68 VanDerWaalsContact O-N 3.12Å
65	N	98.4	Very high	98	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.134	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-41.6	176.9	-71.4	-16	0	0	0	111.8	E61 A62 A63 E67 K68 W69 V84	E61-N65 PolarHBondContact O-N 3.42Å; A62-N65 PolarHBondContact O-N 3.11Å; A63-N65 VanDerWaalsContact C-N 3.32Å; A63-N65 PolarHBondContact O-N 2.84Å; N65-E67 VanDerWaalsContact C-N 3.33Å; N65-E67 PolarHBondContact O-N 3.5Å; N65-K68 PolarHBondContact O-N 2.81Å; N65-W69 PolarHBondContact O-N 3.36Å; N65-W69 VanDerWaalsContact O-N 3.09Å; N65-V84 PolarHBondContact ND2-O 3.29Å
66	A	98.4	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-39.1	174.1	0	0	0	0	0	112	A62 A63 W69 A70 A146 V160	A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 2.92Å; A63-A66 PolarHBondContact O-N 3.49Å; A66-W69 PolarHBondContact O-N 2.94Å; A66-A70 VanDerWaalsContact O-CB 3.32Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 2.69Å; A66-A146 HydrophobicContact CB-CB 4.13Å; A66-V160 HydrophobicContact CB-CB 4.24Å; A66-V160 HydrophobicContact CB-CG1 3.96Å
67	E	98.1	Very high	98	Very high	46 Å²	46	55.6 Å²	55.6	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-49.5	176.3	-171.6	-179.9	165.5	0	0	111.3	I24 R26 A63 T64 N65 W69 A70 A71 A146	I24-E67 HydrophobicContact CG2-CG 3.51Å; R26-E67 WeakPolarHBondContact CG-OE1 3.43Å; R26-E67 IonicContact CZ-OE1 3.95Å; R26-E67 IonicContact NE-OE1 3.33Å; R26-E67 PolarHBondContact NE-OE1 3.22Å; R26-E67 IonicContact NE-OE2 3.73Å; R26-E67 IonicContact NH2-OE1 2.74Å; A63-E67 WeakPolarHBondContact O-CB 3.47Å; A63-E67 PolarHBondContact O-N 3.07Å; T64-E67 PolarHBondContact O-N 2.99Å; N65-E67 VanDerWaalsContact C-N 3.33Å; N65-E67 PolarHBondContact O-N 3.5Å; E67-W69 VanDerWaalsContact C-N 3.27Å; E67-W69 PolarHBondContact O-N 2.88Å; E67-A70 PolarHBondContact O-N 3.32Å; E67-A71 WeakPolarHBondContact O-CB 3.44Å; E67-A71 PolarHBondContact O-N 2.65Å; E67-A71 VanDerWaalsContact O-N 3.08Å; E67-A146 HydrophobicContact CB-CB 3.95Å
68	K	97.7	Very high	98	Very high	139 Å²	139	53 Å²	53	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-57	-41.7	175.7	-70.8	171.5	-176.2	173	0	111.7	T64 N65	T64-K68 WeakPolarHBondContact O-CG 3.45Å; T64-K68 PolarHBondContact O-N 3.19Å; T64-K68 VanDerWaalsContact O-N 3.12Å; N65-K68 PolarHBondContact O-N 2.81Å
69	W	98.3	Very high	98	Very high	44 Å²	44	53.7 Å²	53.7	17%	0.167	27%	0.274	C	S	.	.	H	α-helix	trans	-73.8	-44.1	-179.2	-172.1	-117.2	0	0	0	113	N65 A66 E67 A71 T72 S74 K76 H77 S78 F158	N65-W69 PolarHBondContact O-N 3.36Å; N65-W69 VanDerWaalsContact O-N 3.09Å; A66-W69 PolarHBondContact O-N 2.94Å; E67-W69 VanDerWaalsContact C-N 3.27Å; E67-W69 PolarHBondContact O-N 2.88Å; W69-A71 PolarHBondContact O-N 3.15Å; W69-T72 HydrophobicContact CD2-CG2 4.49Å; W69-T72 HydrophobicContact CE3-CG2 3.87Å; W69-T72 HydrophobicContact CZ3-CG2 4.1Å; W69-T72 WeakPolarHBondContact O-CB 3.49Å; W69-T72 WeakPolarHBondContact O-CG2 3.46Å; W69-T72 PolarHBondContact O-N 3.25Å; W69-T72 PolarHBondContact O-OG1 3.25Å; W69-S74 WeakPolarHBondContact CZ2-OG 3.32Å; W69-K76 VanDerWaalsContact CE2-O 3.29Å; W69-K76 VanDerWaalsContact CZ2-O 3.29Å; W69-K76 WeakPolarHBondContact CZ2-O 3.39Å; W69-K76 PolarHBondContact NE1-O 3.29Å; W69-H77 VanDerWaalsContact CZ2-C 3.45Å; W69-H77 VanDerWaalsContact CZ2-O 3.29Å; W69-H77 WeakPolarHBondContact CZ2-O 3.41Å; W69-S78 VanDerWaalsContact CZ2-CA 3.41Å; W69-F158 AromaticContact NE1-CZ 3.89Å
70	A	97.9	Very high	97.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-37	177	0	0	0	0	0	111.1	A66 E67 T72 C73 A146 A148 V160	A66-A70 VanDerWaalsContact O-CB 3.32Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 2.69Å; E67-A70 PolarHBondContact O-N 3.32Å; A70-T72 PolarHBondContact O-N 3.16Å; A70-C73 PolarHBondContact O-N 2.93Å; A70-A146 HydrophobicContact CB-CB 4.26Å; A70-A148 HydrophobicContact CB-CB 3.89Å; A70-A148 WeakPolarHBondContact O-CB 3.45Å; A70-V160 HydrophobicContact CB-CB 4.46Å; A70-V160 HydrophobicContact CB-CG2 3.81Å
71	A	97.1	Very high	97.9	Very high	42 Å²	42	52.5 Å²	52.5	35%	0.347	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	178.1	0	0	0	0	0	115.5	I24 E67 W69 C73	I24-A71 HydrophobicContact CD1-CB 3.36Å; I24-A71 HydrophobicContact CG1-CB 3.88Å; E67-A71 WeakPolarHBondContact O-CB 3.44Å; E67-A71 PolarHBondContact O-N 2.65Å; E67-A71 VanDerWaalsContact O-N 3.08Å; W69-A71 PolarHBondContact O-N 3.15Å; A71-C73 PolarHBondContact O-N 3.32Å
72	T	96.9	Very high	97.9	Very high	69 Å²	69	51.4 Å²	51.4	42%	0.423	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.8	174.9	69.1	0	0	0	0	112.7	W69 A70 S74	W69-T72 HydrophobicContact CD2-CG2 4.49Å; W69-T72 HydrophobicContact CE3-CG2 3.87Å; W69-T72 HydrophobicContact CZ3-CG2 4.1Å; W69-T72 WeakPolarHBondContact O-CB 3.49Å; W69-T72 WeakPolarHBondContact O-CG2 3.46Å; W69-T72 PolarHBondContact O-N 3.25Å; W69-T72 PolarHBondContact O-OG1 3.25Å; A70-T72 PolarHBondContact O-N 3.16Å; T72-S74 PolarHBondContact O-N 3.4Å; T72-S74 WeakPolarHBondContact OG1-CB 3.3Å; T72-S74 PolarHBondContact OG1-N 3.05Å; T72-S74 PolarHBondContact OG1-OG 2.84Å; T72-S74 VanDerWaalsContact OG1-OG 3.08Å
73	C	97.3	Very high	97.8	Very high	17 Å²	17	53.1 Å²	53.1	12%	0.115	30%	0.301	C	S	.	.			trans	49.6	26.1	-173	-72.1	0	0	0	0	113.7	A70 A71 M75 C150 S153	A70-C73 PolarHBondContact O-N 2.93Å; A71-C73 PolarHBondContact O-N 3.32Å; C73-M75 VanDerWaalsContact C-N 3.28Å; C73-M75 PolarHBondContact O-N 3.12Å; C73-C150 WeakPolarHBondContact CA-SG 3.2Å; C73-C150 HydrophobicContact CB-CB 3.65Å; C73-C150 WeakPolarHBondContact CB-SG 3.5Å; C73-C150 WeakPolarHBondContact SG-CA 3.5Å; C73-C150 WeakPolarHBondContact SG-CB 3.35Å; C73-C150 CovalentContact SG-SG 2.04Å; C73-C150 PolarHBondContact SG-SG 2.82Å; C73-S153 PolarHBondContact O-OG 2.8Å
74	S	96.6	Very high	97.8	Very high	39 Å²	39	56.4 Å²	56.4	27%	0.273	32%	0.32	S	S	.	.			trans	-72.3	-21.4	-171.6	64.3	0	0	0	0	113.5	W69 T72 K76	W69-S74 WeakPolarHBondContact CZ2-OG 3.32Å; T72-S74 PolarHBondContact O-N 3.4Å; T72-S74 WeakPolarHBondContact OG1-CB 3.3Å; T72-S74 PolarHBondContact OG1-N 3.05Å; T72-S74 PolarHBondContact OG1-OG 2.84Å; T72-S74 VanDerWaalsContact OG1-OG 3.08Å; S74-K76 WeakPolarHBondContact O-CG 3.46Å; S74-K76 PolarHBondContact O-N 2.85Å; S74-K76 PolarHBondContact OG-N 3.45Å
75	M	96.8	Very high	97.8	Very high	36 Å²	36	53.8 Å²	53.8	18%	0.177	30%	0.303	C	S	.	.			trans	56.7	26	-175.1	-56.4	-58.9	176.7	0	0	113	C73 M96 C150 Y155 F158	C73-M75 VanDerWaalsContact C-N 3.28Å; C73-M75 PolarHBondContact O-N 3.12Å; M75-M96 HydrophobicContact CB-SD 3.66Å; M75-M96 HydrophobicContact CG-SD 4.19Å; M75-M96 HydrophobicContact SD-CB 4.43Å; M75-M96 HydrophobicContact SD-CG 3.6Å; M75-M96 VanDerWaalsContact SD-CG 3.6Å; M75-M96 HydrophobicContact SD-SD 3.87Å; M75-C150 HydrophobicContact CE-CB 3.82Å; M75-Y155 WeakPolarHBondContact CE-O 3.22Å; M75-F158 HydrophobicContact CE-CB 3.77Å; M75-F158 HydrophobicContact CE-CG 4.31Å; M75-F158 HydrophobicContact SD-CB 3.72Å; M75-F158 HydrophobicContact SD-CD1 4.36Å; M75-F158 HydrophobicContact SD-CD2 3.63Å; M75-F158 HydrophobicContact SD-CE2 4.32Å; M75-F158 HydrophobicContact SD-CG 3.66Å
76	K	98.1	Very high	97.7	Very high	151 Å²	151	56.8 Å²	56.8	66%	0.657	33%	0.326	S	S	*	.	S	Bend	trans	-131.5	163.8	-177	-69.2	177.2	-173.2	-177.8	0	110.3	W69 S74 L94	W69-K76 VanDerWaalsContact CE2-O 3.29Å; W69-K76 VanDerWaalsContact CZ2-O 3.29Å; W69-K76 WeakPolarHBondContact CZ2-O 3.39Å; W69-K76 PolarHBondContact NE1-O 3.29Å; S74-K76 WeakPolarHBondContact O-CG 3.46Å; S74-K76 PolarHBondContact O-N 2.85Å; S74-K76 PolarHBondContact OG-N 3.45Å; K76-L94 VanDerWaalsContact O-CD1 3.3Å; K76-L94 WeakPolarHBondContact O-CD1 3.4Å
77	H	98.6	Very high	97.5	Very high	102 Å²	102	61.7 Å²	61.7	47%	0.472	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-65.7	140.2	172.8	-80.8	-66.7	0	0	0	112	W69 E92 L94	W69-H77 VanDerWaalsContact CZ2-C 3.45Å; W69-H77 VanDerWaalsContact CZ2-O 3.29Å; W69-H77 WeakPolarHBondContact CZ2-O 3.41Å; H77-E92 WeakPolarHBondContact CA-OE1 3.26Å; H77-E92 WeakPolarHBondContact CB-OE1 3.32Å; H77-E92 IonicContact CE1-OE1 3.56Å; H77-E92 IonicContact CG-OE1 3.94Å; H77-E92 IonicContact ND1-OE1 3.76Å; H77-E92 PolarHBondContact ND1-OE1 3.13Å; H77-L94 HydrophobicContact CB-CD1 4.45Å
78	S	98.6	Very high	97.4	Very high	5 Å²	5	61 Å²	61	4%	0.035	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-67.2	156.5	172.7	53	0	0	0	0	111.3	W69 R83 E92	W69-S78 VanDerWaalsContact CZ2-CA 3.41Å; S78-R83 PolarHBondContact O-NH1 3.05Å; S78-R83 PolarHBondContact O-NH2 2.94Å; S78-R83 WeakPolarHBondContact OG-CD 3.32Å; S78-R83 WeakPolarHBondContact OG-CG 3.08Å; S78-R83 PolarHBondContact OG-NH1 3.43Å; S78-E92 WeakPolarHBondContact CB-OE2 3.36Å; S78-E92 PolarHBondContact N-OE1 2.92Å; S78-E92 VanDerWaalsContact OG-CD 3.23Å; S78-E92 PolarHBondContact OG-OE1 3.26Å; S78-E92 PolarHBondContact OG-OE2 3.09Å
79	P	98.3	Very high	97.4	Very high	62 Å²	62	55.8 Å²	55.8	40%	0.403	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-67.1	147.1	166.3	29.2	-33.5	0	0	0	109.8	S81 S82	P79-S81 PolarHBondContact O-N 2.83Å; P79-S81 VanDerWaalsContact O-N 3.16Å; P79-S82 WeakPolarHBondContact CG-OG 3.48Å; P79-S82 WeakPolarHBondContact O-CB 3.4Å; P79-S82 PolarHBondContact O-N 3.39Å
80	A	97.5	Very high	97.4	Very high	68 Å²	68	54.1 Å²	54.1	56%	0.562	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.3	-179.1	0	0	0	0	0	113.1	S82 R83	A80-S82 PolarHBondContact O-N 2.99Å; A80-R83 PolarHBondContact O-N 2.88Å
81	S	97.6	Very high	97.5	Very high	100 Å²	100	54.7 Å²	54.7	70%	0.699	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-63.6	-23.5	174.8	53.5	0	0	0	0	113.8	P79 R83	P79-S81 PolarHBondContact O-N 2.83Å; P79-S81 VanDerWaalsContact O-N 3.16Å; S81-R83 VanDerWaalsContact C-N 3.3Å
82	S	97.7	Very high	97.6	Very high	56 Å²	56	53.3 Å²	53.3	39%	0.392	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-86.6	0.1	173.3	-60.6	0	0	0	0	113.2	P79 A80	P79-S82 WeakPolarHBondContact CG-OG 3.48Å; P79-S82 WeakPolarHBondContact O-CB 3.4Å; P79-S82 PolarHBondContact O-N 3.39Å; A80-S82 PolarHBondContact O-N 2.99Å
83	R	97.8	Very high	97.7	Very high	37 Å²	37	50.1 Å²	50.1	14%	0.14	31%	0.31	C	S	.	.	S	Bend	trans	-117.5	48.1	-178.3	-60.8	-168.8	-73.6	-112	-10.9	111.1	S78 A80 S81 G89 C90 E92	S78-R83 PolarHBondContact O-NH1 3.05Å; S78-R83 PolarHBondContact O-NH2 2.94Å; S78-R83 WeakPolarHBondContact OG-CD 3.32Å; S78-R83 WeakPolarHBondContact OG-CG 3.08Å; S78-R83 PolarHBondContact OG-NH1 3.43Å; A80-R83 PolarHBondContact O-N 2.88Å; S81-R83 VanDerWaalsContact C-N 3.3Å; R83-G89 CarbonylContact O-C 3.58Å; R83-G89 WeakPolarHBondContact O-CA 3.39Å; R83-C90 HydrophobicContact CB-CB 4.19Å; R83-C90 WeakPolarHBondContact CB-O 3.25Å; R83-C90 PolarHBondContact NE-O 2.85Å; R83-C90 PolarHBondContact O-N 3.45Å; R83-E92 IonicContact NH1-OE1 3.9Å; R83-E92 PolarHBondContact NH1-OE1 3.47Å; R83-E92 IonicContact NH1-OE2 3.51Å
84	V	98.4	Very high	97.7	Very high	83 Å²	83	50 Å²	50	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	179.2	-176.2	0	0	0	0	109.4	N65	N65-V84 PolarHBondContact ND2-O 3.29Å
85	I	97.9	Very high	97.8	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	169.5	170.7	64.1	166.6	0	0	0	109.2	E61 A62 T87 S88 C164	E61-I85 HydrophobicContact CB-CB 3.96Å; E61-I85 HydrophobicContact CB-CG2 3.59Å; A62-I85 HydrophobicContact CB-CG2 4.21Å; I85-T87 VanDerWaalsContact CD1-OG1 3.31Å; I85-T87 WeakPolarHBondContact CD1-OG1 3.17Å; I85-T87 PolarHBondContact O-N 3.37Å; I85-S88 WeakPolarHBondContact CG1-O 3.41Å; I85-S88 PolarHBondContact N-O 2.77Å; I85-S88 PolarHBondContact O-N 3.46Å; I85-S88 VanDerWaalsContact O-O 3.1Å; I85-C164 HydrophobicContact CD1-CB 3.69Å; I85-C164 HydrophobicContact CG1-CB 4.32Å
86	S	97.2	Very high	97.9	Very high	89 Å²	89	52 Å²	52	62%	0.622	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-25.6	-179.6	57.7	0	0	0	0	115.5	E61	E61-S86 WeakPolarHBondContact OE1-CB 3.21Å; E61-S86 PolarHBondContact OE1-OG 2.96Å; E61-S86 WeakPolarHBondContact OE2-CB 3.45Å; E61-S86 PolarHBondContact OE2-N 2.89Å; E61-S86 PolarHBondContact OE2-OG 3.48Å
87	T	92.9	Very high	97.8	Very high	103 Å²	103	45.4 Å²	45.4	63%	0.632	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-17.2	-173.4	52.4	0	0	0	0	114.8	I85	I85-T87 VanDerWaalsContact CD1-OG1 3.31Å; I85-T87 WeakPolarHBondContact CD1-OG1 3.17Å; I85-T87 PolarHBondContact O-N 3.37Å
88	S	96.3	Very high	97.8	Very high	31 Å²	31	43.4 Å²	43.4	22%	0.217	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	166.7	-174.6	51.2	0	0	0	0	112.3	I85	I85-S88 WeakPolarHBondContact CG1-O 3.41Å; I85-S88 PolarHBondContact N-O 2.77Å; I85-S88 PolarHBondContact O-N 3.46Å; I85-S88 VanDerWaalsContact O-O 3.1Å
89	G	98.1	Very high	97.6	Very high	30 Å²	30	51.3 Å²	51.3	31%	0.309	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	172.7	157.3	0	0	0	0	0	112	R83 P165 P166	R83-G89 CarbonylContact O-C 3.58Å; R83-G89 WeakPolarHBondContact O-CA 3.39Å; G89-P165 WeakPolarHBondContact O-CA 3.38Å; G89-P166 WeakPolarHBondContact O-CD 3.43Å
90	C	98.8	Very high	97.4	Very high	8 Å²	8	54 Å²	54	5%	0.054	32%	0.322	C	S	.	.			trans	-135.9	147.7	178.3	-48.8	0	0	0	0	112.3	R83 H162 Y163 C164	R83-C90 HydrophobicContact CB-CB 4.19Å; R83-C90 WeakPolarHBondContact CB-O 3.25Å; R83-C90 PolarHBondContact NE-O 2.85Å; R83-C90 PolarHBondContact O-N 3.45Å; C90-H162 HydrophobicContact CB-CB 4.1Å; C90-Y163 CarbonylContact C-O 3.42Å; C90-Y163 WeakPolarHBondContact CA-O 3.42Å; C90-Y163 VanDerWaalsContact CB-O 3.31Å; C90-Y163 WeakPolarHBondContact CB-O 3.35Å; C90-C164 HydrophobicContact CB-CB 4.03Å; C90-C164 WeakPolarHBondContact CB-SG 3.49Å; C90-C164 WeakPolarHBondContact SG-CB 3.31Å; C90-C164 CovalentContact SG-SG 2.04Å; C90-C164 PolarHBondContact SG-SG 2.6Å
91	G	98.8	Very high	97.4	Very high	12 Å²	12	53 Å²	53	12%	0.124	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-179.9	165	0	0	0	0	0	111.3	H162 Y163	G91-H162 VanDerWaalsContact O-CA 3.24Å; G91-H162 WeakPolarHBondContact O-CA 3.39Å; G91-Y163 PolarHBondContact N-O 2.91Å; G91-Y163 PolarHBondContact O-N 3.32Å
92	E	98.9	Very high	97.4	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.065	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	135.9	-177	-179.3	175.7	70.3	0	0	112.7	H77 S78 R83 L94 V160 C161 H162	H77-E92 WeakPolarHBondContact CA-OE1 3.26Å; H77-E92 WeakPolarHBondContact CB-OE1 3.32Å; H77-E92 IonicContact CE1-OE1 3.56Å; H77-E92 IonicContact CG-OE1 3.94Å; H77-E92 IonicContact ND1-OE1 3.76Å; H77-E92 PolarHBondContact ND1-OE1 3.13Å; S78-E92 WeakPolarHBondContact CB-OE2 3.36Å; S78-E92 PolarHBondContact N-OE1 2.92Å; S78-E92 VanDerWaalsContact OG-CD 3.23Å; S78-E92 PolarHBondContact OG-OE1 3.26Å; S78-E92 PolarHBondContact OG-OE2 3.09Å; R83-E92 IonicContact NH1-OE1 3.9Å; R83-E92 PolarHBondContact NH1-OE1 3.47Å; R83-E92 IonicContact NH1-OE2 3.51Å; E92-L94 HydrophobicContact CG-CD2 3.72Å; E92-L94 HydrophobicContact CG-CG 4.18Å; E92-V160 HydrophobicContact CG-CG1 4.19Å; E92-C161 CarbonylContact C-O 3.23Å; E92-C161 VanDerWaalsContact CA-O 3.25Å; E92-C161 WeakPolarHBondContact CA-O 3.31Å; E92-H162 IonicContact OE2-CD2 2.77Å; E92-H162 PolarHBondContact OE2-CD2 3.05Å; E92-H162 IonicContact OE2-CE1 2.89Å; E92-H162 IonicContact OE2-NE2 3.89Å; E92-H162 PolarHBondContact OE2-NE2 2.91Å
93	N	98.9	Very high	97.4	Very high	2 Å²	2	48 Å²	48	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.4	162	-72.5	-7	0	0	0	110	W110 H131 C161 Y163	N93-W110 HydrophobicContact CB-CD2 3.75Å; N93-W110 HydrophobicContact CB-CE3 3.99Å; N93-W110 HydrophobicContact CB-CG 4.34Å; N93-W110 HydrophobicContact CB-CH2 3.97Å; N93-W110 HydrophobicContact CB-CZ2 3.69Å; N93-W110 HydrophobicContact CB-CZ3 4.1Å; N93-H131 PolarHBondContact ND2-O 3.41Å; N93-H131 VanDerWaalsContact ND2-O 3.13Å; N93-H131 PolarHBondContact OD1-CD2 3.07Å; N93-C161 PolarHBondContact N-O 3.33Å; N93-C161 PolarHBondContact O-N 3.38Å; N93-Y163 HydrophobicContact CB-CE2 3.73Å; N93-Y163 PolarHBondContact ND2-OH 3.12Å
94	L	98.8	Very high	97.5	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.3	179.2	-58.9	-178.2	0	0	0	110.9	K76 H77 E92 W110 F158 Y159 V160	K76-L94 VanDerWaalsContact O-CD1 3.3Å; K76-L94 WeakPolarHBondContact O-CD1 3.4Å; H77-L94 HydrophobicContact CB-CD1 4.45Å; E92-L94 HydrophobicContact CG-CD2 3.72Å; E92-L94 HydrophobicContact CG-CG 4.18Å; L94-W110 PolarHBondContact O-NE1 3.16Å; L94-F158 HydrophobicContact CB-CE2 4.17Å; L94-F158 HydrophobicContact CD1-CE2 4.06Å; L94-F158 HydrophobicContact CD1-CZ 4.17Å; L94-F158 HydrophobicContact CD2-CE2 3.74Å; L94-F158 HydrophobicContact CD2-CZ 3.79Å; L94-F158 HydrophobicContact CG-CE2 4.21Å; L94-Y159 WeakPolarHBondContact CA-O 3.25Å; L94-V160 HydrophobicContact CD2-CB 4.2Å; L94-V160 HydrophobicContact CD2-CG1 4Å; L94-V160 HydrophobicContact CD2-CG2 3.83Å
95	Y	98.6	Very high	97.5	Very high	50 Å²	50	47.9 Å²	47.9	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.6	171.5	177.1	-90.7	0	0	0	109.5	A97 N101 A106 A109 Y159	Y95-A97 HydrophobicContact CE1-CB 3.7Å; Y95-N101 HydrophobicContact CE1-CB 4.18Å; Y95-N101 PolarHBondContact OH-ND2 2.94Å; Y95-N101 VanDerWaalsContact OH-ND2 3.11Å; Y95-A106 HydrophobicContact CD1-CB 3.64Å; Y95-A106 HydrophobicContact CD2-CB 4.26Å; Y95-A106 HydrophobicContact CE1-CB 4.08Å; Y95-A106 HydrophobicContact CG-CB 3.75Å; Y95-A109 HydrophobicContact CD2-CB 4.05Å; Y95-A109 HydrophobicContact CE2-CB 3.74Å; Y95-Y159 AromaticContact CD1-CD2 3.58Å; Y95-Y159 HydrophobicContact CD1-CD2 3.58Å; Y95-Y159 AromaticContact CD1-CE2 3.92Å; Y95-Y159 HydrophobicContact CD1-CE2 3.92Å; Y95-Y159 HydrophobicContact CD1-CG 4.07Å; Y95-Y159 HydrophobicContact CE1-CD2 4.33Å; Y95-Y159 HydrophobicContact CE1-CE2 4.22Å; Y95-Y159 PolarHBondContact N-O 2.99Å; Y95-Y159 PolarHBondContact O-N 3.29Å
96	M	98.1	Very high	97.5	Very high	68 Å²	68	47.5 Å²	47.5	34%	0.335	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.8	-173.8	-65.6	166.5	-85.7	0	0	108.9	M75 Y155 Y157 F158	M75-M96 HydrophobicContact CB-SD 3.66Å; M75-M96 HydrophobicContact CG-SD 4.19Å; M75-M96 HydrophobicContact SD-CB 4.43Å; M75-M96 HydrophobicContact SD-CG 3.6Å; M75-M96 VanDerWaalsContact SD-CG 3.6Å; M75-M96 HydrophobicContact SD-SD 3.87Å; M96-Y155 HydrophobicContact CB-CD1 4.39Å; M96-Y155 HydrophobicContact CB-CD2 3.71Å; M96-Y155 HydrophobicContact CB-CE2 4.33Å; M96-Y155 HydrophobicContact CB-CG 3.74Å; M96-Y155 HydrophobicContact CG-CD2 4.38Å; M96-Y155 HydrophobicContact SD-CD2 4.15Å; M96-Y157 WeakPolarHBondContact CA-O 3.24Å; M96-F158 HydrophobicContact CG-CD2 4Å; M96-F158 HydrophobicContact CG-CE2 4.43Å
97	A	97.4	Very high	97.6	Very high	12 Å²	12	43.2 Å²	43.2	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.2	-180	0	0	0	0	0	112.6	Y95 F99 K156 Y157	Y95-A97 HydrophobicContact CE1-CB 3.7Å; A97-F99 VanDerWaalsContact C-N 3.32Å; A97-F99 VanDerWaalsContact CB-O 3.25Å; A97-F99 WeakPolarHBondContact CB-O 3.49Å; A97-K156 PolarHBondContact O-N 3.28Å; A97-Y157 PolarHBondContact N-O 3.5Å; A97-Y157 PolarHBondContact O-N 2.73Å
98	S	96.8	Very high	97.9	Very high	60 Å²	60	40.8 Å²	40.8	42%	0.42	22%	0.223	S	C	.	.	S	Bend	trans	-74.6	-24.9	174.2	-53.5	0	0	0	0	112.7
99	F	95	Very high	98	Very high	171 Å²	171	41.1 Å²	41.1	75%	0.75	23%	0.228	S	C	*	.	S	Bend	trans	-126.4	154	177.1	-58	-77.9	0	0	0	110.4	A97 N101 Y157	A97-F99 VanDerWaalsContact C-N 3.32Å; A97-F99 VanDerWaalsContact CB-O 3.25Å; A97-F99 WeakPolarHBondContact CB-O 3.49Å; F99-N101 PolarHBondContact O-N 2.94Å; F99-Y157 VanDerWaalsContact C-CE2 3.47Å
100	K	95.3	Very high	98	Very high	119 Å²	119	40 Å²	40	52%	0.517	21%	0.214	S	C	.	.			trans	-62.3	125.9	178.6	-169.9	172.7	173.5	173.9	0	109.2	M147 Y157	K100-M147 HydrophobicContact CD-CE 4.24Å; K100-M147 HydrophobicContact CD-SD 4.46Å; K100-M147 HydrophobicContact CG-SD 4.16Å; K100-Y157 HydrophobicContact CB-CD1 3.93Å; K100-Y157 HydrophobicContact CB-CD2 4.37Å; K100-Y157 HydrophobicContact CB-CE1 3.56Å; K100-Y157 HydrophobicContact CB-CE2 4.04Å; K100-Y157 HydrophobicContact CB-CG 4.32Å; K100-Y157 HydrophobicContact CD-CE1 4.2Å; K100-Y157 HydrophobicContact CG-CD1 4.11Å; K100-Y157 HydrophobicContact CG-CE1 3.95Å
101	N	96.4	Very high	98	Very high	46 Å²	46	41 Å²	41	25%	0.246	22%	0.217	C	C	.	.			trans	-109.8	160.1	173.7	-148.3	-12	0	0	0	111.1	Y95 F99 N105 Y159	Y95-N101 HydrophobicContact CE1-CB 4.18Å; Y95-N101 PolarHBondContact OH-ND2 2.94Å; Y95-N101 VanDerWaalsContact OH-ND2 3.11Å; F99-N101 PolarHBondContact O-N 2.94Å; N101-N105 WeakPolarHBondContact ND2-CB 3.42Å; N101-N105 WeakPolarHBondContact OD1-CB 3.15Å; N101-N105 PolarHBondContact OD1-ND2 2.85Å; N101-Y159 WeakPolarHBondContact CA-OH 3.35Å; N101-Y159 PolarHBondContact N-OH 3.31Å; N101-Y159 PolarHBondContact O-OH 3.11Å
102	S	97.6	Very high	98	Very high	47 Å²	47	44.7 Å²	44.7	33%	0.329	23%	0.234	S	C	.	.			trans	-70.8	155.1	169.7	66.9	0	0	0	0	110.7	S104 N105 A106	S102-S104 VanDerWaalsContact C-N 3.26Å; S102-S104 PolarHBondContact O-N 3.2Å; S102-N105 PolarHBondContact O-N 2.63Å; S102-N105 WeakPolarHBondContact OG-CB 3.47Å; S102-N105 PolarHBondContact OG-N 2.95Å; S102-N105 PolarHBondContact OG-ND2 3.31Å; S102-A106 PolarHBondContact O-N 2.8Å; S102-A106 VanDerWaalsContact O-N 3.11Å
103	W	98.4	Very high	98	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-39.4	173.1	-80	106.4	0	0	0	111.4	I35 N105 A106 I107 C145 A146 M147 Y159	I35-W103 HydrophobicContact CD1-CB 4.41Å; I35-W103 HydrophobicContact CD1-CD2 3.54Å; I35-W103 HydrophobicContact CD1-CE3 3.96Å; I35-W103 HydrophobicContact CD1-CG 3.75Å; I35-W103 HydrophobicContact CD1-CZ2 4.24Å; I35-W103 HydrophobicContact CD1-CZ3 4.47Å; I35-W103 HydrophobicContact CG1-CB 3.68Å; I35-W103 HydrophobicContact CG1-CD2 3.69Å; I35-W103 HydrophobicContact CG1-CE3 3.98Å; I35-W103 HydrophobicContact CG1-CG 3.56Å; W103-N105 VanDerWaalsContact C-N 3.27Å; W103-N105 PolarHBondContact O-N 3.43Å; W103-A106 PolarHBondContact O-N 3.46Å; W103-I107 HydrophobicContact CB-CD1 4.37Å; W103-I107 WeakPolarHBondContact O-CB 3.45Å; W103-I107 WeakPolarHBondContact O-CD1 3.33Å; W103-I107 WeakPolarHBondContact O-CG1 3.26Å; W103-I107 PolarHBondContact O-N 3.08Å; W103-C145 HydrophobicContact CH2-CB 3.5Å; W103-C145 VanDerWaalsContact CH2-CB 3.5Å; W103-C145 HydrophobicContact CZ2-CB 4.11Å; W103-C145 HydrophobicContact CZ3-CB 3.78Å; W103-A146 WeakPolarHBondContact CH2-O 3.16Å; W103-M147 HydrophobicContact CH2-CB 4.49Å; W103-M147 HydrophobicContact CZ2-CB 3.92Å; W103-Y159 HydrophobicContact CD2-CD1 4.15Å; W103-Y159 HydrophobicContact CD2-CE1 4.45Å; W103-Y159 AromaticContact CE3-CD1 3.91Å; W103-Y159 HydrophobicContact CE3-CD1 3.91Å; W103-Y159 AromaticContact CH2-CD1 3.73Å; W103-Y159 HydrophobicContact CH2-CD1 3.73Å; W103-Y159 HydrophobicContact CH2-CG 4.41Å; W103-Y159 AromaticContact CZ2-CD1 3.97Å; W103-Y159 HydrophobicContact CZ2-CD1 3.97Å; W103-Y159 AromaticContact CZ3-CD1 3.7Å; W103-Y159 HydrophobicContact CZ3-CD1 3.7Å; W103-Y159 HydrophobicContact CZ3-CG 4.39Å
104	S	98.6	Very high	98	Very high	33 Å²	33	47.6 Å²	47.6	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-40	176.7	-68.1	0	0	0	0	112.9	E34 S102 Q108	E34-S104 WeakPolarHBondContact CG-OG 3.18Å; E34-S104 VanDerWaalsContact OE1-CB 3.24Å; E34-S104 WeakPolarHBondContact OE1-CB 3.41Å; E34-S104 PolarHBondContact OE1-N 3.31Å; E34-S104 PolarHBondContact OE1-OG 2.86Å; S102-S104 VanDerWaalsContact C-N 3.26Å; S102-S104 PolarHBondContact O-N 3.2Å; S104-Q108 VanDerWaalsContact O-CB 3.25Å; S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.06Å
105	N	98.6	Very high	98	Very high	85 Å²	85	50.6 Å²	50.6	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-73	-42.3	178	-73.5	-12.6	0	0	0	112	N101 S102 W103 I107 Q108 A109	N101-N105 WeakPolarHBondContact ND2-CB 3.42Å; N101-N105 WeakPolarHBondContact OD1-CB 3.15Å; N101-N105 PolarHBondContact OD1-ND2 2.85Å; S102-N105 PolarHBondContact O-N 2.63Å; S102-N105 WeakPolarHBondContact OG-CB 3.47Å; S102-N105 PolarHBondContact OG-N 2.95Å; S102-N105 PolarHBondContact OG-ND2 3.31Å; W103-N105 VanDerWaalsContact C-N 3.27Å; W103-N105 PolarHBondContact O-N 3.43Å; N105-I107 PolarHBondContact O-N 2.83Å; N105-Q108 PolarHBondContact O-N 2.82Å; N105-A109 PolarHBondContact O-N 3.37Å
106	A	98.6	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-45.1	175.3	0	0	0	0	0	111.6	Y95 S102 W103 Q108 A109 W110 Y159	Y95-A106 HydrophobicContact CD1-CB 3.64Å; Y95-A106 HydrophobicContact CD2-CB 4.26Å; Y95-A106 HydrophobicContact CE1-CB 4.08Å; Y95-A106 HydrophobicContact CG-CB 3.75Å; S102-A106 PolarHBondContact O-N 2.8Å; S102-A106 VanDerWaalsContact O-N 3.11Å; W103-A106 PolarHBondContact O-N 3.46Å; A106-Q108 PolarHBondContact O-N 3.01Å; A106-A109 WeakPolarHBondContact O-CB 3.49Å; A106-A109 PolarHBondContact O-N 3.25Å; A106-W110 PolarHBondContact O-N 2.94Å; A106-Y159 HydrophobicContact CB-CD1 4.41Å
107	I	98.9	Very high	98	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-38	177.1	-63	160.4	0	0	0	111.1	I35 K38 H39 L42 W103 N105 A109 W110 Y111	I35-I107 HydrophobicContact CB-CD1 4.24Å; I35-I107 HydrophobicContact CG1-CD1 4.18Å; I35-I107 HydrophobicContact CG2-CD1 4.12Å; K38-I107 HydrophobicContact CB-CD1 4.07Å; K38-I107 HydrophobicContact CG-CB 3.92Å; K38-I107 HydrophobicContact CG-CD1 4.05Å; K38-I107 HydrophobicContact CG-CG2 3.66Å; H39-I107 VanDerWaalsContact CE1-CD1 3.41Å; H39-I107 WeakPolarHBondContact CE1-CD1 3.44Å; L42-I107 HydrophobicContact CD1-CG2 3.76Å; W103-I107 HydrophobicContact CB-CD1 4.37Å; W103-I107 WeakPolarHBondContact O-CB 3.45Å; W103-I107 WeakPolarHBondContact O-CD1 3.33Å; W103-I107 WeakPolarHBondContact O-CG1 3.26Å; W103-I107 PolarHBondContact O-N 3.08Å; N105-I107 PolarHBondContact O-N 2.83Å; I107-A109 VanDerWaalsContact C-N 3.32Å; I107-A109 PolarHBondContact O-N 2.95Å; I107-W110 HydrophobicContact CB-CE3 4.35Å; I107-W110 HydrophobicContact CG1-CE3 4.07Å; I107-W110 HydrophobicContact CG1-CZ3 3.91Å; I107-W110 PolarHBondContact O-N 2.04Å; I107-Y111 PolarHBondContact O-N 3.32Å
108	Q	98.8	Very high	98.1	Very high	51 Å²	51	54.7 Å²	54.7	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-38.3	175	-170.5	62.6	56	0	0	111.5	S104 N105 A106 W110 Y111 N112	S104-Q108 VanDerWaalsContact O-CB 3.25Å; S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.06Å; N105-Q108 PolarHBondContact O-N 2.82Å; A106-Q108 PolarHBondContact O-N 3.01Å; Q108-W110 PolarHBondContact O-N 3.24Å; Q108-Y111 PolarHBondContact O-N 3.22Å; Q108-Y111 VanDerWaalsContact O-N 3.17Å; Q108-N112 PolarHBondContact NE2-OD1 3.04Å; Q108-N112 WeakPolarHBondContact O-CB 3.49Å; Q108-N112 PolarHBondContact O-N 2.84Å; Q108-N112 PolarHBondContact O-ND2 2.99Å; Q108-N112 PolarHBondContact O-OD1 3.02Å
109	A	98.8	Very high	98.1	Very high	39 Å²	39	54.4 Å²	54.4	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-60.8	-43.6	175.8	0	0	0	0	0	111.8	Y95 N105 A106 I107 Y111 N112	Y95-A109 HydrophobicContact CD2-CB 4.05Å; Y95-A109 HydrophobicContact CE2-CB 3.74Å; N105-A109 PolarHBondContact O-N 3.37Å; A106-A109 WeakPolarHBondContact O-CB 3.49Å; A106-A109 PolarHBondContact O-N 3.25Å; I107-A109 VanDerWaalsContact C-N 3.32Å; I107-A109 PolarHBondContact O-N 2.95Å; A109-Y111 PolarHBondContact O-N 3.07Å; A109-N112 PolarHBondContact O-N 3.17Å
110	W	98.9	Very high	98.3	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-44.1	171.4	-66.7	-30.9	0	0	0	112.6	N93 L94 A106 I107 Q108 N112 H131 Y132 V135 C161 Y163	N93-W110 HydrophobicContact CB-CD2 3.75Å; N93-W110 HydrophobicContact CB-CE3 3.99Å; N93-W110 HydrophobicContact CB-CG 4.34Å; N93-W110 HydrophobicContact CB-CH2 3.97Å; N93-W110 HydrophobicContact CB-CZ2 3.69Å; N93-W110 HydrophobicContact CB-CZ3 4.1Å; L94-W110 PolarHBondContact O-NE1 3.16Å; A106-W110 PolarHBondContact O-N 2.94Å; I107-W110 HydrophobicContact CB-CE3 4.35Å; I107-W110 HydrophobicContact CG1-CE3 4.07Å; I107-W110 HydrophobicContact CG1-CZ3 3.91Å; I107-W110 PolarHBondContact O-N 2.04Å; Q108-W110 PolarHBondContact O-N 3.24Å; W110-N112 VanDerWaalsContact C-N 3.33Å; W110-N112 PolarHBondContact O-N 2.92Å; W110-H131 HydrophobicContact CB-CB 3.69Å; W110-H131 AromaticContact CD1-CD2 3.73Å; W110-H131 AromaticContact CD1-CG 3.65Å; W110-H131 HydrophobicContact CG-CB 3.83Å; W110-H131 AromaticContact NE1-CD2 3.92Å; W110-Y132 WeakPolarHBondContact O-CA 3.41Å; W110-Y132 PolarHBondContact O-N 2.67Å; W110-V135 HydrophobicContact CB-CG2 4.09Å; W110-V135 HydrophobicContact CE3-CG2 4.49Å; W110-C161 HydrophobicContact CH2-CB 3.84Å; W110-C161 HydrophobicContact CZ3-CB 4Å; W110-Y163 WeakPolarHBondContact CZ3-OH 3.4Å
111	Y	98.9	Very high	98.4	Very high	31 Å²	31	45.9 Å²	45.9	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-32.2	-179.3	-173.1	-91.1	0	0	0	113.1	L42 I107 Q108 A109 E113 V114 Y132 V135 V136	L42-Y111 HydrophobicContact CB-CD2 3.82Å; L42-Y111 HydrophobicContact CB-CE2 3.77Å; L42-Y111 HydrophobicContact CD1-CD2 3.78Å; L42-Y111 HydrophobicContact CD1-CG 3.88Å; L42-Y111 HydrophobicContact CD2-CD1 3.86Å; L42-Y111 HydrophobicContact CD2-CD2 3.84Å; L42-Y111 HydrophobicContact CD2-CE1 3.99Å; L42-Y111 HydrophobicContact CD2-CE2 3.95Å; L42-Y111 HydrophobicContact CD2-CG 3.77Å; L42-Y111 HydrophobicContact CG-CD2 4.02Å; L42-Y111 HydrophobicContact CG-CE2 4.28Å; L42-Y111 HydrophobicContact CG-CG 4.28Å; I107-Y111 PolarHBondContact O-N 3.32Å; Q108-Y111 PolarHBondContact O-N 3.22Å; Q108-Y111 VanDerWaalsContact O-N 3.17Å; A109-Y111 PolarHBondContact O-N 3.07Å; Y111-E113 PolarHBondContact O-N 2.79Å; Y111-V114 HydrophobicContact CD1-CG1 4.19Å; Y111-V114 HydrophobicContact CE1-CG1 4Å; Y111-V114 VanDerWaalsContact O-CB 3.31Å; Y111-V114 WeakPolarHBondContact O-CB 3.43Å; Y111-V114 VanDerWaalsContact O-CG1 3.31Å; Y111-V114 WeakPolarHBondContact O-CG1 3.03Å; Y111-V114 PolarHBondContact O-N 3.3Å; Y111-Y132 AromaticContact CD2-CD2 3.83Å; Y111-Y132 HydrophobicContact CD2-CD2 3.83Å; Y111-Y132 HydrophobicContact CD2-CE2 4.04Å; Y111-Y132 AromaticContact CE2-CD2 3.99Å; Y111-Y132 HydrophobicContact CE2-CD2 3.99Å; Y111-Y132 AromaticContact CE2-CE2 3.7Å; Y111-Y132 HydrophobicContact CE2-CE2 3.7Å; Y111-Y132 HydrophobicContact CG-CD2 4.28Å; Y111-Y132 WeakPolarHBondContact O-CD2 3.36Å; Y111-V135 HydrophobicContact CD2-CG1 4.05Å; Y111-V136 HydrophobicContact CD2-CG1 4.2Å; Y111-V136 HydrophobicContact CE2-CG1 3.79Å
112	N	98.8	Very high	98.5	Very high	89 Å²	89	43.9 Å²	43.9	48%	0.476	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-63.3	-14.9	-176.8	-74.4	-9.4	0	0	0	113.6	Q108 A109 W110 V114 A115	Q108-N112 PolarHBondContact NE2-OD1 3.04Å; Q108-N112 WeakPolarHBondContact O-CB 3.49Å; Q108-N112 PolarHBondContact O-N 2.84Å; Q108-N112 PolarHBondContact O-ND2 2.99Å; Q108-N112 PolarHBondContact O-OD1 3.02Å; A109-N112 PolarHBondContact O-N 3.17Å; W110-N112 VanDerWaalsContact C-N 3.33Å; W110-N112 PolarHBondContact O-N 2.92Å; N112-V114 PolarHBondContact O-N 3.23Å; N112-A115 WeakPolarHBondContact O-CB 3.06Å; N112-A115 PolarHBondContact O-N 3.06Å; N112-A115 VanDerWaalsContact O-N 3.1Å
113	E	98.8	Very high	98.5	Very high	26 Å²	26	43.7 Å²	43.7	12%	0.121	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57.5	-16.2	167.2	-65.4	-176.9	165.7	0	0	113.2	Y111 A115 N116 V128 V129 G130 H131 Y132	Y111-E113 PolarHBondContact O-N 2.79Å; E113-A115 PolarHBondContact O-N 3.19Å; E113-A115 VanDerWaalsContact O-N 3.08Å; E113-N116 PolarHBondContact O-N 2.78Å; E113-V128 WeakPolarHBondContact CB-O 3.4Å; E113-V128 WeakPolarHBondContact CG-O 3.39Å; E113-V128 VanDerWaalsContact OE1-CG1 3.27Å; E113-V128 WeakPolarHBondContact OE1-CG1 3.2Å; E113-V129 VanDerWaalsContact OE2-CA 3.26Å; E113-V129 WeakPolarHBondContact OE2-CA 3.38Å; E113-G130 PolarHBondContact OE2-N 3.4Å; E113-H131 IonicContact OE1-CE1 3.06Å; E113-H131 IonicContact OE1-CG 3.81Å; E113-H131 IonicContact OE1-ND1 2.7Å; E113-H131 PolarHBondContact OE1-ND1 3.48Å; E113-H131 WeakPolarHBondContact OE2-CA 3.1Å; E113-H131 WeakPolarHBondContact OE2-CB 3.11Å; E113-H131 IonicContact OE2-CG 2.8Å; E113-H131 PolarHBondContact OE2-N 3.5Å; E113-H131 IonicContact OE2-ND1 3.73Å; E113-Y132 PolarHBondContact OE2-N 2.78Å
114	V	98.4	Very high	98.5	Very high	50 Å²	50	47.7 Å²	47.7	30%	0.303	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-51.4	-29	170.1	71.5	0	0	0	0	112.9	Y111 N112 N116 F117 Y132	Y111-V114 HydrophobicContact CD1-CG1 4.19Å; Y111-V114 HydrophobicContact CE1-CG1 4Å; Y111-V114 VanDerWaalsContact O-CB 3.31Å; Y111-V114 WeakPolarHBondContact O-CB 3.43Å; Y111-V114 VanDerWaalsContact O-CG1 3.31Å; Y111-V114 WeakPolarHBondContact O-CG1 3.03Å; Y111-V114 PolarHBondContact O-N 3.3Å; N112-V114 PolarHBondContact O-N 3.23Å; V114-N116 PolarHBondContact O-N 2.73Å; V114-F117 PolarHBondContact O-N 3.46Å; V114-Y132 HydrophobicContact CB-CD2 3.64Å; V114-Y132 HydrophobicContact CB-CE2 3.58Å; V114-Y132 HydrophobicContact CB-CG 4.15Å; V114-Y132 HydrophobicContact CG2-CD2 4.14Å; V114-Y132 HydrophobicContact CG2-CE1 4.33Å; V114-Y132 HydrophobicContact CG2-CE2 3.54Å
115	A	98.3	Very high	98.4	Very high	77 Å²	77	50.8 Å²	50.8	64%	0.636	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.9	175.8	0	0	0	0	0	113.3	N112 E113	N112-A115 WeakPolarHBondContact O-CB 3.06Å; N112-A115 PolarHBondContact O-N 3.06Å; N112-A115 VanDerWaalsContact O-N 3.1Å; E113-A115 PolarHBondContact O-N 3.19Å; E113-A115 VanDerWaalsContact O-N 3.08Å
116	N	98.3	Very high	98.3	Very high	46 Å²	46	50.3 Å²	50.3	25%	0.246	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-102.2	5.8	177.5	-60	-40	0	0	0	112.6	E113 V114 S123 I124 N125 V129	E113-N116 PolarHBondContact O-N 2.78Å; V114-N116 PolarHBondContact O-N 2.73Å; N116-S123 WeakPolarHBondContact O-CA 3.29Å; N116-I124 WeakPolarHBondContact O-CG1 3.47Å; N116-I124 PolarHBondContact O-N 2.77Å; N116-N125 WeakPolarHBondContact CB-OD1 3.31Å; N116-N125 PolarHBondContact OD1-ND2 2.88Å; N116-V129 HydrophobicContact CB-CG1 4.12Å
117	F	98.6	Very high	98.1	Very high	19 Å²	19	51.5 Å²	51.5	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.3	-173.2	175	-95	0	0	0	111.6	V114 Y119 G122 V129 Y132 T133 L171 P174	V114-F117 PolarHBondContact O-N 3.46Å; F117-Y119 HydrophobicContact CE1-CD2 4.49Å; F117-Y119 VanDerWaalsContact CE1-N 3.33Å; F117-Y119 HydrophobicContact CZ-CD2 4.45Å; F117-G122 WeakPolarHBondContact CA-O 3.19Å; F117-V129 HydrophobicContact CB-CB 4.43Å; F117-V129 HydrophobicContact CB-CG1 3.91Å; F117-V129 HydrophobicContact CD2-CB 4.32Å; F117-V129 HydrophobicContact CD2-CG1 4.43Å; F117-Y132 HydrophobicContact CB-CD1 4.13Å; F117-Y132 HydrophobicContact CB-CE1 4.13Å; F117-Y132 HydrophobicContact CD1-CD1 4.16Å; F117-Y132 AromaticContact CD1-CE1 3.35Å; F117-Y132 HydrophobicContact CD1-CE1 3.35Å; F117-Y132 HydrophobicContact CD2-CD1 4.31Å; F117-Y132 HydrophobicContact CD2-CE1 4.13Å; F117-Y132 AromaticContact CE1-CE1 3.66Å; F117-Y132 HydrophobicContact CE1-CE1 3.66Å; F117-Y132 HydrophobicContact CE2-CE1 4.4Å; F117-Y132 AromaticContact CG-CD1 3.94Å; F117-Y132 HydrophobicContact CG-CD1 3.94Å; F117-Y132 AromaticContact CG-CE1 3.59Å; F117-Y132 HydrophobicContact CG-CE1 3.59Å; F117-Y132 HydrophobicContact CZ-CE1 4.18Å; F117-T133 HydrophobicContact CD2-CG2 4.19Å; F117-T133 HydrophobicContact CE2-CG2 3.97Å; F117-L171 VanDerWaalsContact CE2-O 3.3Å; F117-L171 WeakPolarHBondContact CE2-O 3.36Å; F117-P174 HydrophobicContact CZ-CG 4.21Å
118	R	98.6	Very high	98	Very high	151 Å²	151	56 Å²	56	57%	0.57	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.8	165	-179.1	168.5	62.8	-170.7	1.1	110	G120 V121 G122 I124	R118-G120 PolarHBondContact O-N 2.04Å; R118-V121 HydrophobicContact CB-CB 4.2Å; R118-V121 HydrophobicContact CG-CB 4.4Å; R118-V121 HydrophobicContact CG-CG2 4.26Å; R118-V121 WeakPolarHBondContact O-CA 3.27Å; R118-V121 PolarHBondContact O-N 2.91Å; R118-G122 PolarHBondContact N-O 2.9Å; R118-G122 PolarHBondContact O-N 3.3Å; R118-I124 HydrophobicContact CB-CG2 3.38Å
119	Y	98.5	Very high	98	Very high	53 Å²	53	53.9 Å²	53.9	21%	0.208	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	135.1	179.9	-173	-85.1	0	0	0	111.4	P48 F117 V121 N173 Y175 S177	P48-Y119 VanDerWaalsContact CD-CB 3.46Å; P48-Y119 HydrophobicContact CG-CD1 3.75Å; P48-Y119 HydrophobicContact CG-CD2 4.01Å; P48-Y119 HydrophobicContact CG-CE1 4.22Å; P48-Y119 HydrophobicContact CG-CE2 4.45Å; P48-Y119 HydrophobicContact CG-CG 3.65Å; F117-Y119 HydrophobicContact CE1-CD2 4.49Å; F117-Y119 VanDerWaalsContact CE1-N 3.33Å; F117-Y119 HydrophobicContact CZ-CD2 4.45Å; Y119-V121 PolarHBondContact O-N 2.99Å; Y119-N173 WeakPolarHBondContact CE1-ND2 3.4Å; Y119-N173 VanDerWaalsContact CZ-ND2 3.27Å; Y119-N173 PolarHBondContact OH-ND2 2.91Å; Y119-Y175 HydrophobicContact CD2-CE1 4.41Å; Y119-Y175 AromaticContact CD2-CE2 3.89Å; Y119-Y175 HydrophobicContact CD2-CE2 3.89Å; Y119-Y175 AromaticContact CD2-CZ 3.81Å; Y119-Y175 AromaticContact CE2-CD2 3.76Å; Y119-Y175 HydrophobicContact CE2-CD2 3.76Å; Y119-Y175 HydrophobicContact CE2-CE1 4.38Å; Y119-Y175 AromaticContact CE2-CE2 3.5Å; Y119-Y175 HydrophobicContact CE2-CE2 3.5Å; Y119-Y175 VanDerWaalsContact CE2-CE2 3.5Å; Y119-Y175 HydrophobicContact CE2-CG 4.33Å; Y119-Y175 AromaticContact CE2-CZ 3.84Å; Y119-Y175 WeakPolarHBondContact CE2-O 3.43Å; Y119-Y175 PolarHBondContact OH-O 2.83Å; Y119-S177 PolarHBondContact OH-N 3.21Å; Y119-S177 VanDerWaalsContact OH-N 3.1Å
120	G	98.3	Very high	98	Very high	40 Å²	40	52.9 Å²	52.9	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-8.5	-174.6	0	0	0	0	0	114.8	R118 T172	R118-G120 PolarHBondContact O-N 2.04Å; G120-T172 PolarHBondContact N-O 2.97Å
121	V	97.9	Very high	98	Very high	72 Å²	72	54.5 Å²	54.5	44%	0.436	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-36.6	178.8	179.7	0	0	0	0	111.9	R118 Y119 I124 T172	R118-V121 HydrophobicContact CB-CB 4.2Å; R118-V121 HydrophobicContact CG-CB 4.4Å; R118-V121 HydrophobicContact CG-CG2 4.26Å; R118-V121 WeakPolarHBondContact O-CA 3.27Å; R118-V121 PolarHBondContact O-N 2.91Å; Y119-V121 PolarHBondContact O-N 2.99Å; V121-I124 HydrophobicContact CG1-CG2 4.49Å; V121-T172 WeakPolarHBondContact O-CG2 3.15Å
122	G	97.7	Very high	98	Very high	3 Å²	3	53 Å²	53	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-136.8	-172.4	0	0	0	0	0	111.5	F117 R118 I124	F117-G122 WeakPolarHBondContact CA-O 3.19Å; R118-G122 PolarHBondContact N-O 2.9Å; R118-G122 PolarHBondContact O-N 3.3Å; G122-I124 PolarHBondContact O-N 3.41Å
123	S	97.9	Very high	98	Very high	43 Å²	43	48.8 Å²	48.8	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.3	178.9	-175.8	0	0	0	0	111.2	N116 G126 G127	N116-S123 WeakPolarHBondContact O-CA 3.29Å; S123-G126 VanDerWaalsContact OG-C 3.32Å; S123-G126 WeakPolarHBondContact OG-CA 3.46Å; S123-G126 PolarHBondContact OG-N 3.4Å; S123-G126 VanDerWaalsContact OG-N 3.15Å; S123-G127 WeakPolarHBondContact CB-O 3.45Å; S123-G127 PolarHBondContact OG-N 3.19Å; S123-G127 PolarHBondContact OG-O 3.46Å
124	I	98.1	Very high	98	Very high	88 Å²	88	47.7 Å²	47.7	45%	0.451	30%	0.296	S	S	.	.	S	Bend	trans	-93.5	-11.5	-177.5	64.1	178.1	0	0	0	114.1	N116 R118 V121 G122	N116-I124 WeakPolarHBondContact O-CG1 3.47Å; N116-I124 PolarHBondContact O-N 2.77Å; R118-I124 HydrophobicContact CB-CG2 3.38Å; V121-I124 HydrophobicContact CG1-CG2 4.49Å; G122-I124 PolarHBondContact O-N 3.41Å
125	N	97.1	Very high	98	Very high	99 Å²	99	45.3 Å²	45.3	53%	0.529	28%	0.282	S	S	.	.	S	Bend	trans	-141.6	15	-174	61.5	0	0	0	0	112.7	N116 G127	N116-N125 WeakPolarHBondContact CB-OD1 3.31Å; N116-N125 PolarHBondContact OD1-ND2 2.88Å; N125-G127 PolarHBondContact O-N 3.05Å; N125-G127 WeakPolarHBondContact OD1-CA 3.24Å; N125-G127 PolarHBondContact OD1-N 3.32Å
126	G	95.2	Very high	98	Very high	75 Å²	75	41.7 Å²	41.7	77%	0.773	25%	0.251	S	S	*	.	S	Bend	trans	74.1	2.2	-173.9	0	0	0	0	0	114.2	S123	S123-G126 VanDerWaalsContact OG-C 3.32Å; S123-G126 WeakPolarHBondContact OG-CA 3.46Å; S123-G126 PolarHBondContact OG-N 3.4Å; S123-G126 VanDerWaalsContact OG-N 3.15Å
127	G	95.4	Very high	98.1	Very high	24 Å²	24	40.5 Å²	40.5	25%	0.247	24%	0.244	C	C	.	.			trans	-65.2	157.6	173.9	0	0	0	0	0	112.8	S123 N125	S123-G127 WeakPolarHBondContact CB-O 3.45Å; S123-G127 PolarHBondContact OG-N 3.19Å; S123-G127 PolarHBondContact OG-O 3.46Å; N125-G127 PolarHBondContact O-N 3.05Å; N125-G127 WeakPolarHBondContact OD1-CA 3.24Å; N125-G127 PolarHBondContact OD1-N 3.32Å
128	V	97.1	Very high	98	Very high	94 Å²	94	39.8 Å²	39.8	57%	0.57	24%	0.241	S	C	*	.			trans	-68.3	132.9	175.3	-173.7	0	0	0	0	109.4	E113	E113-V128 WeakPolarHBondContact CB-O 3.4Å; E113-V128 WeakPolarHBondContact CG-O 3.39Å; E113-V128 VanDerWaalsContact OE1-CG1 3.27Å; E113-V128 WeakPolarHBondContact OE1-CG1 3.2Å
129	V	98.4	Very high	98	Very high	8 Å²	8	35 Å²	35	5%	0.048	23%	0.229	C	C	.	.			trans	-130	-3.8	178.1	-62	0	0	0	0	113.4	E113 N116 F117 H131 Y132 T133	E113-V129 VanDerWaalsContact OE2-CA 3.26Å; E113-V129 WeakPolarHBondContact OE2-CA 3.38Å; N116-V129 HydrophobicContact CB-CG1 4.12Å; F117-V129 HydrophobicContact CB-CB 4.43Å; F117-V129 HydrophobicContact CB-CG1 3.91Å; F117-V129 HydrophobicContact CD2-CB 4.32Å; F117-V129 HydrophobicContact CD2-CG1 4.43Å; V129-H131 VanDerWaalsContact C-N 3.34Å; V129-H131 PolarHBondContact O-N 3.49Å; V129-Y132 PolarHBondContact O-N 3.03Å; V129-T133 WeakPolarHBondContact O-CG2 3.31Å; V129-T133 PolarHBondContact O-N 3.29Å; V129-T133 PolarHBondContact O-OG1 2.84Å
130	G	98.4	Very high	98	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-32	-170.4	0	0	0	0	0	113.9	E113 T133 Q134 N168	E113-G130 PolarHBondContact OE2-N 3.4Å; G130-T133 WeakPolarHBondContact CA-OG1 3.19Å; G130-T133 PolarHBondContact O-OG1 3.23Å; G130-Q134 WeakPolarHBondContact O-CB 3.1Å; G130-Q134 PolarHBondContact O-N 2.83Å; G130-Q134 VanDerWaalsContact O-N 3.12Å; G130-N168 PolarHBondContact O-ND2 3.49Å
131	H	98.8	Very high	97.9	Very high	39 Å²	39	32.2 Å²	32.2	18%	0.181	21%	0.206	C	C	.	.	H	α-helix	trans	-72.7	-43.5	177.4	-56.9	108.1	0	0	0	110.2	N93 W110 E113 V129 Q134 V135	N93-H131 PolarHBondContact ND2-O 3.41Å; N93-H131 VanDerWaalsContact ND2-O 3.13Å; N93-H131 PolarHBondContact OD1-CD2 3.07Å; W110-H131 HydrophobicContact CB-CB 3.69Å; W110-H131 AromaticContact CD1-CD2 3.73Å; W110-H131 AromaticContact CD1-CG 3.65Å; W110-H131 HydrophobicContact CG-CB 3.83Å; W110-H131 AromaticContact NE1-CD2 3.92Å; E113-H131 IonicContact OE1-CE1 3.06Å; E113-H131 IonicContact OE1-CG 3.81Å; E113-H131 IonicContact OE1-ND1 2.7Å; E113-H131 PolarHBondContact OE1-ND1 3.48Å; E113-H131 WeakPolarHBondContact OE2-CA 3.1Å; E113-H131 WeakPolarHBondContact OE2-CB 3.11Å; E113-H131 IonicContact OE2-CG 2.8Å; E113-H131 PolarHBondContact OE2-N 3.5Å; E113-H131 IonicContact OE2-ND1 3.73Å; V129-H131 VanDerWaalsContact C-N 3.34Å; V129-H131 PolarHBondContact O-N 3.49Å; H131-Q134 PolarHBondContact O-N 3.37Å; H131-V135 WeakPolarHBondContact O-CG2 3.44Å; H131-V135 PolarHBondContact O-N 3.23Å
132	Y	98.9	Very high	97.9	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-52.9	174.2	160.8	-99.7	0	0	0	111.2	W110 Y111 E113 V114 F117 V129 Q134 V135 V136	W110-Y132 WeakPolarHBondContact O-CA 3.41Å; W110-Y132 PolarHBondContact O-N 2.67Å; Y111-Y132 AromaticContact CD2-CD2 3.83Å; Y111-Y132 HydrophobicContact CD2-CD2 3.83Å; Y111-Y132 HydrophobicContact CD2-CE2 4.04Å; Y111-Y132 AromaticContact CE2-CD2 3.99Å; Y111-Y132 HydrophobicContact CE2-CD2 3.99Å; Y111-Y132 AromaticContact CE2-CE2 3.7Å; Y111-Y132 HydrophobicContact CE2-CE2 3.7Å; Y111-Y132 HydrophobicContact CG-CD2 4.28Å; Y111-Y132 WeakPolarHBondContact O-CD2 3.36Å; E113-Y132 PolarHBondContact OE2-N 2.78Å; V114-Y132 HydrophobicContact CB-CD2 3.64Å; V114-Y132 HydrophobicContact CB-CE2 3.58Å; V114-Y132 HydrophobicContact CB-CG 4.15Å; V114-Y132 HydrophobicContact CG2-CD2 4.14Å; V114-Y132 HydrophobicContact CG2-CE1 4.33Å; V114-Y132 HydrophobicContact CG2-CE2 3.54Å; F117-Y132 HydrophobicContact CB-CD1 4.13Å; F117-Y132 HydrophobicContact CB-CE1 4.13Å; F117-Y132 HydrophobicContact CD1-CD1 4.16Å; F117-Y132 AromaticContact CD1-CE1 3.35Å; F117-Y132 HydrophobicContact CD1-CE1 3.35Å; F117-Y132 HydrophobicContact CD2-CD1 4.31Å; F117-Y132 HydrophobicContact CD2-CE1 4.13Å; F117-Y132 AromaticContact CE1-CE1 3.66Å; F117-Y132 HydrophobicContact CE1-CE1 3.66Å; F117-Y132 HydrophobicContact CE2-CE1 4.4Å; F117-Y132 AromaticContact CG-CD1 3.94Å; F117-Y132 HydrophobicContact CG-CD1 3.94Å; F117-Y132 AromaticContact CG-CE1 3.59Å; F117-Y132 HydrophobicContact CG-CE1 3.59Å; F117-Y132 HydrophobicContact CZ-CE1 4.18Å; V129-Y132 PolarHBondContact O-N 3.03Å; Y132-Q134 PolarHBondContact O-N 3.25Å; Y132-V135 WeakPolarHBondContact O-CB 3.41Å; Y132-V135 PolarHBondContact O-N 2.57Å; Y132-V136 HydrophobicContact CD1-CG2 4.47Å; Y132-V136 HydrophobicContact CD2-CG1 4.4Å; Y132-V136 HydrophobicContact CD2-CG2 4.44Å; Y132-V136 HydrophobicContact CE1-CG2 3.95Å; Y132-V136 HydrophobicContact CE2-CG1 3.94Å; Y132-V136 HydrophobicContact CE2-CG2 3.97Å; Y132-V136 WeakPolarHBondContact O-CG2 3.46Å; Y132-V136 PolarHBondContact O-N 3.1Å; Y132-V136 VanDerWaalsContact O-N 3.08Å
133	T	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-33.7	-177.6	52.6	0	0	0	0	111.7	F117 V129 G130 V136 W137 N168 L171 P174	F117-T133 HydrophobicContact CD2-CG2 4.19Å; F117-T133 HydrophobicContact CE2-CG2 3.97Å; V129-T133 WeakPolarHBondContact O-CG2 3.31Å; V129-T133 PolarHBondContact O-N 3.29Å; V129-T133 PolarHBondContact O-OG1 2.84Å; G130-T133 WeakPolarHBondContact CA-OG1 3.19Å; G130-T133 PolarHBondContact O-OG1 3.23Å; T133-V136 CarbonylContact O-C 3.47Å; T133-V136 PolarHBondContact O-N 3.31Å; T133-W137 WeakPolarHBondContact O-CA 3.37Å; T133-W137 WeakPolarHBondContact O-CB 3.36Å; T133-W137 PolarHBondContact O-N 3.36Å; T133-N168 WeakPolarHBondContact CB-OD1 3.48Å; T133-N168 PolarHBondContact OG1-OD1 2.88Å; T133-L171 HydrophobicContact CG2-CD2 4.4Å; T133-L171 WeakPolarHBondContact OG1-CD2 3.5Å; T133-P174 HydrophobicContact CG2-CB 4.37Å; T133-P174 HydrophobicContact CG2-CG 4.28Å
134	Q	98.9	Very high	98	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-41.6	174.6	-177.9	57.3	91.3	0	0	112.5	G130 H131 Y132 V136 W137 S140 Y163 N168	G130-Q134 WeakPolarHBondContact O-CB 3.1Å; G130-Q134 PolarHBondContact O-N 2.83Å; G130-Q134 VanDerWaalsContact O-N 3.12Å; H131-Q134 PolarHBondContact O-N 3.37Å; Y132-Q134 PolarHBondContact O-N 3.25Å; Q134-V136 PolarHBondContact O-N 3.03Å; Q134-W137 WeakPolarHBondContact O-CB 3.46Å; Q134-W137 PolarHBondContact O-N 3.08Å; Q134-S140 PolarHBondContact NE2-OG 3.21Å; Q134-Y163 HydrophobicContact CG-CD1 3.98Å; Q134-Y163 HydrophobicContact CG-CD2 3.42Å; Q134-Y163 VanDerWaalsContact CG-CD2 3.42Å; Q134-Y163 HydrophobicContact CG-CE1 4.28Å; Q134-Y163 HydrophobicContact CG-CE2 3.77Å; Q134-Y163 HydrophobicContact CG-CG 3.55Å; Q134-Y163 VanDerWaalsContact NE2-CB 3.33Å; Q134-N168 PolarHBondContact N-OD1 3.27Å
135	V	98.9	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-40.1	175.3	167.1	0	0	0	0	110.8	L42 R43 W110 Y111 H131 Y132	L42-V135 HydrophobicContact CB-CG1 4.41Å; L42-V135 HydrophobicContact CD1-CG1 4.08Å; R43-V135 WeakPolarHBondContact CG-O 3.18Å; R43-V135 PolarHBondContact NH1-O 3.22Å; W110-V135 HydrophobicContact CB-CG2 4.09Å; W110-V135 HydrophobicContact CE3-CG2 4.49Å; Y111-V135 HydrophobicContact CD2-CG1 4.05Å; H131-V135 WeakPolarHBondContact O-CG2 3.44Å; H131-V135 PolarHBondContact O-N 3.23Å; Y132-V135 WeakPolarHBondContact O-CB 3.41Å; Y132-V135 PolarHBondContact O-N 2.57Å
136	V	98.8	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	19.2	-178.4	-54	0	0	0	0	113.9	V46 M53 Y111 Y132 T133 Q134 A138 P174 Y175	V46-V136 HydrophobicContact CG1-CB 3.92Å; V46-V136 HydrophobicContact CG1-CG1 3.58Å; M53-V136 HydrophobicContact CE-CB 4.27Å; M53-V136 VanDerWaalsContact CE-O 3.31Å; M53-V136 WeakPolarHBondContact CE-O 3.26Å; Y111-V136 HydrophobicContact CD2-CG1 4.2Å; Y111-V136 HydrophobicContact CE2-CG1 3.79Å; Y132-V136 HydrophobicContact CD1-CG2 4.47Å; Y132-V136 HydrophobicContact CD2-CG1 4.4Å; Y132-V136 HydrophobicContact CD2-CG2 4.44Å; Y132-V136 HydrophobicContact CE1-CG2 3.95Å; Y132-V136 HydrophobicContact CE2-CG1 3.94Å; Y132-V136 HydrophobicContact CE2-CG2 3.97Å; Y132-V136 WeakPolarHBondContact O-CG2 3.46Å; Y132-V136 PolarHBondContact O-N 3.1Å; Y132-V136 VanDerWaalsContact O-N 3.08Å; T133-V136 CarbonylContact O-C 3.47Å; T133-V136 PolarHBondContact O-N 3.31Å; Q134-V136 PolarHBondContact O-N 3.03Å; V136-A138 PolarHBondContact O-N 2.76Å; V136-P174 HydrophobicContact CG2-CB 4.05Å; V136-P174 HydrophobicContact CG2-CG 3.87Å; V136-Y175 HydrophobicContact CB-CD1 4.47Å; V136-Y175 HydrophobicContact CB-CE1 4.45Å; V136-Y175 HydrophobicContact CG2-CD1 4.26Å; V136-Y175 HydrophobicContact CG2-CE1 4.1Å
137	W	98.9	Very high	98.2	Very high	21 Å²	21	15.7 Å²	15.7	8%	0.08	10%	0.095	C	C	.	.			trans	-72	121.2	-178.7	-161.9	-98	0	0	0	111.3	R43 T133 Q134 T139 S140 G167 N168 Y169 N170 P174	R43-W137 VanDerWaalsContact CZ-O 3.28Å; R43-W137 PolarHBondContact NH1-O 3.18Å; R43-W137 PolarHBondContact NH2-O 3.05Å; T133-W137 WeakPolarHBondContact O-CA 3.37Å; T133-W137 WeakPolarHBondContact O-CB 3.36Å; T133-W137 PolarHBondContact O-N 3.36Å; Q134-W137 WeakPolarHBondContact O-CB 3.46Å; Q134-W137 PolarHBondContact O-N 3.08Å; W137-T139 VanDerWaalsContact C-N 3.32Å; W137-T139 VanDerWaalsContact CD1-OG1 3.3Å; W137-T139 PolarHBondContact NE1-OG1 2.85Å; W137-T139 PolarHBondContact O-N 2.84Å; W137-S140 PolarHBondContact O-N 3.26Å; W137-G167 VanDerWaalsContact CD2-CA 3.45Å; W137-G167 VanDerWaalsContact CG-CA 3.42Å; W137-N168 VanDerWaalsContact CZ3-N 3.27Å; W137-Y169 HydrophobicContact CZ2-CD2 4.25Å; W137-N170 HydrophobicContact CH2-CB 4.35Å; W137-N170 WeakPolarHBondContact CH2-O 3.2Å; W137-N170 WeakPolarHBondContact CZ3-O 3.14Å; W137-P174 HydrophobicContact CD2-CB 4.5Å; W137-P174 HydrophobicContact CE3-CB 3.61Å; W137-P174 VanDerWaalsContact CZ3-CA 3.49Å; W137-P174 HydrophobicContact CZ3-CB 3.85Å
138	A	98.4	Very high	98.3	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.033	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-45.7	-168.8	0	0	0	0	0	113.2	R43 M54 V136 P174	R43-A138 PolarHBondContact NH2-O 2.73Å; M54-A138 WeakPolarHBondContact CB-O 3.31Å; M54-A138 WeakPolarHBondContact CG-O 3.41Å; M54-A138 PolarHBondContact N-O 2.8Å; V136-A138 PolarHBondContact O-N 2.76Å; A138-P174 PolarHBondContact N-O 2.82Å
139	T	97.2	Very high	98.4	Very high	51 Å²	51	14 Å²	14	31%	0.313	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.5	-172	57.6	0	0	0	0	114.3	W137 K141 P165	W137-T139 VanDerWaalsContact C-N 3.32Å; W137-T139 VanDerWaalsContact CD1-OG1 3.3Å; W137-T139 PolarHBondContact NE1-OG1 2.85Å; W137-T139 PolarHBondContact O-N 2.84Å; T139-K141 VanDerWaalsContact C-N 3.32Å; T139-K141 PolarHBondContact O-N 2.85Å; T139-P165 VanDerWaalsContact O-CD 3.3Å; T139-P165 WeakPolarHBondContact O-CD 3.47Å
140	S	98.5	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.			trans	-70.7	87.6	178.4	-62.8	0	0	0	0	110.2	M56 Q134 W137 P165	M56-S140 WeakPolarHBondContact CE-O 3.49Å; Q134-S140 PolarHBondContact NE2-OG 3.21Å; W137-S140 PolarHBondContact O-N 3.26Å; S140-P165 PolarHBondContact OG-O 2.74Å
141	K	97	Very high	98.1	Very high	34 Å²	34	13.3 Å²	13.3	15%	0.148	7%	0.065	C	C	.	.			trans	-98.1	-11.8	-172	63.8	-167.4	171.7	-161.2	0	114	M54 M56 S57 T139 C164 S232	M54-K141 HydrophobicContact CB-CB 3.94Å; M54-K141 HydrophobicContact CE-CD 4.2Å; M56-K141 CarbonylContact C-O 3.58Å; M56-K141 VanDerWaalsContact CA-O 3.26Å; M56-K141 WeakPolarHBondContact CA-O 3.29Å; S57-K141 PolarHBondContact N-O 3.39Å; S57-K141 PolarHBondContact OG-O 3.21Å; T139-K141 VanDerWaalsContact C-N 3.32Å; T139-K141 PolarHBondContact O-N 2.85Å; K141-C164 PolarHBondContact N-O 3.3Å; K141-S232 PolarHBondContact NZ-OXT 3.42Å
142	N	98.4	Very high	97.9	Very high	28 Å²	28	17 Å²	17	15%	0.15	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.4	176.7	-67.2	-48.7	0	0	0	110.3	S57 N59 Y163 C164	S57-N142 WeakPolarHBondContact O-CA 3.24Å; S57-N142 PolarHBondContact OG-OD1 2.95Å; N59-N142 HydrophobicContact CB-CB 3.87Å; N142-Y163 CarbonylContact O-C 3.39Å; N142-Y163 WeakPolarHBondContact O-CA 3.47Å; N142-C164 HydrophobicContact CB-CB 4.09Å; N142-C164 WeakPolarHBondContact CB-O 3.42Å; N142-C164 PolarHBondContact N-O 2.83Å; N142-C164 PolarHBondContact O-N 2.79Å
143	I	98.8	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.1	174.7	-166.9	172.8	0	0	0	111	I35 V36 H39 M56 S57 W58 N59 C161 H162 Y163	I35-I143 HydrophobicContact CG2-CD1 3.93Å; I35-I143 HydrophobicContact CG2-CG2 4.48Å; V36-I143 HydrophobicContact CG2-CG2 3.98Å; H39-I143 WeakPolarHBondContact CE1-CD1 3.48Å; H39-I143 WeakPolarHBondContact NE2-CD1 3.38Å; M56-I143 HydrophobicContact CG-CB 3.94Å; M56-I143 HydrophobicContact CG-CG2 3.68Å; M56-I143 HydrophobicContact SD-CB 3.58Å; M56-I143 VanDerWaalsContact SD-CB 3.58Å; M56-I143 HydrophobicContact SD-CD1 3.82Å; M56-I143 HydrophobicContact SD-CG1 4.26Å; M56-I143 HydrophobicContact SD-CG2 3.61Å; S57-I143 PolarHBondContact O-N 3.09Å; W58-I143 CarbonylContact C-O 3.38Å; W58-I143 WeakPolarHBondContact CA-O 3.31Å; W58-I143 HydrophobicContact CE3-CG2 4.3Å; N59-I143 PolarHBondContact N-O 2.93Å; I143-C161 HydrophobicContact CD1-CB 4.28Å; I143-C161 HydrophobicContact CG1-CB 4.46Å; I143-H162 VanDerWaalsContact CA-O 3.31Å; I143-H162 WeakPolarHBondContact CA-O 3.19Å; I143-Y163 HydrophobicContact CD1-CD1 4.06Å; I143-Y163 HydrophobicContact CD1-CE1 3.52Å; I143-Y163 HydrophobicContact CG1-CD1 4.27Å; I143-Y163 HydrophobicContact CG1-CE1 4.19Å
144	G	98.7	Very high	97.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.5	167.3	0	0	0	0	0	109.9	H162	G144-H162 PolarHBondContact N-O 2.87Å; G144-H162 PolarHBondContact O-N 3.21Å
145	C	98.8	Very high	97.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.7	-173.4	-48.9	0	0	0	0	112	T27 I35 W58 W103 V160 C161	T27-C145 PolarHBondContact OG1-O 3.06Å; I35-C145 HydrophobicContact CD1-CB 4.04Å; W58-C145 HydrophobicContact CH2-CB 3.95Å; W58-C145 WeakPolarHBondContact CH2-O 3.42Å; W58-C145 HydrophobicContact CZ3-CB 4.19Å; W103-C145 HydrophobicContact CH2-CB 3.5Å; W103-C145 VanDerWaalsContact CH2-CB 3.5Å; W103-C145 HydrophobicContact CZ2-CB 4.11Å; W103-C145 HydrophobicContact CZ3-CB 3.78Å; C145-V160 CarbonylContact C-O 3.58Å; C145-V160 WeakPolarHBondContact CA-O 3.22Å; C145-V160 VanDerWaalsContact CB-O 3.27Å; C145-V160 WeakPolarHBondContact CB-O 3.46Å; C145-C161 HydrophobicContact CB-CB 4.05Å; C145-C161 WeakPolarHBondContact CB-SG 3.35Å; C145-C161 VanDerWaalsContact SG-CA 3.56Å; C145-C161 WeakPolarHBondContact SG-CB 3.21Å; C145-C161 CovalentContact SG-SG 2.04Å; C145-C161 PolarHBondContact SG-SG 2.9Å
146	A	98.3	Very high	97.2	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.5	172.4	0	0	0	0	0	111.6	A66 E67 A70 W103 V160	A66-A146 HydrophobicContact CB-CB 4.13Å; E67-A146 HydrophobicContact CB-CB 3.95Å; A70-A146 HydrophobicContact CB-CB 4.26Å; W103-A146 WeakPolarHBondContact CH2-O 3.16Å; A146-V160 PolarHBondContact N-O 2.94Å; A146-V160 PolarHBondContact O-N 3.46Å
147	M	97.7	Very high	97.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.4	175.9	-177.8	-162.8	62.3	0	0	110.1	T25 K100 W103 Y157 F158 Y159	T25-M147 HydrophobicContact CG2-CE 4.23Å; T25-M147 PolarHBondContact N-O 3.02Å; K100-M147 HydrophobicContact CD-CE 4.24Å; K100-M147 HydrophobicContact CD-SD 4.46Å; K100-M147 HydrophobicContact CG-SD 4.16Å; W103-M147 HydrophobicContact CH2-CB 4.49Å; W103-M147 HydrophobicContact CZ2-CB 3.92Å; M147-Y157 HydrophobicContact SD-CD1 4.04Å; M147-F158 CarbonylContact C-O 3.57Å; M147-F158 VanDerWaalsContact CA-O 3.3Å; M147-F158 WeakPolarHBondContact CA-O 3.37Å; M147-Y159 HydrophobicContact CB-CD1 4.1Å; M147-Y159 HydrophobicContact CB-CE1 4.24Å; M147-Y159 HydrophobicContact CG-CD1 3.9Å; M147-Y159 HydrophobicContact CG-CD2 4.22Å; M147-Y159 HydrophobicContact CG-CE1 3.73Å; M147-Y159 HydrophobicContact CG-CE2 4.07Å; M147-Y159 HydrophobicContact CG-CG 4.14Å; M147-Y159 HydrophobicContact SD-CD1 4.27Å; M147-Y159 HydrophobicContact SD-CE1 3.49Å; M147-Y159 WeakPolarHBondContact SD-CE1 3.46Å; M147-Y159 HydrophobicContact SD-CE2 4.1Å; M147-Y159 PolarHBondContact SD-OH 2.85Å
148	A	97.6	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141	173.3	0	0	0	0	0	111.3	I24 A70 Y157 F158	I24-A148 HydrophobicContact CD1-CB 3.61Å; A70-A148 HydrophobicContact CB-CB 3.89Å; A70-A148 WeakPolarHBondContact O-CB 3.45Å; A148-Y157 WeakPolarHBondContact O-CA 3.34Å; A148-F158 PolarHBondContact N-O 2.69Å; A148-F158 PolarHBondContact O-N 2.91Å
149	Y	97.4	Very high	97.2	Very high	81 Å²	81	33.5 Å²	33.5	32%	0.318	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.5	162.9	176.2	-109.9	0	0	0	109.4	V22 S23 P151 K156 Y157	V22-Y149 WeakPolarHBondContact CA-O 3.22Å; S23-Y149 PolarHBondContact N-O 3.46Å; S23-Y149 PolarHBondContact O-N 3.39Å; Y149-P151 HydrophobicContact CD1-CB 4.5Å; Y149-P151 HydrophobicContact CD1-CG 4.38Å; Y149-P151 HydrophobicContact CE1-CB 3.7Å; Y149-P151 HydrophobicContact CE1-CG 4Å; Y149-P151 WeakPolarHBondContact O-CD 3.44Å; Y149-K156 CarbonylContact C-O 3.51Å; Y149-K156 VanDerWaalsContact CA-O 3.31Å; Y149-K156 WeakPolarHBondContact CA-O 3.31Å; Y149-K156 HydrophobicContact CD2-CB 4.18Å; Y149-K156 VanDerWaalsContact CD2-O 3.27Å; Y149-K156 WeakPolarHBondContact CD2-O 3.36Å; Y149-K156 HydrophobicContact CE2-CB 3.79Å; Y149-Y157 HydrophobicContact CD2-CD1 4.31Å; Y149-Y157 AromaticContact CD2-CE1 3.78Å; Y149-Y157 HydrophobicContact CD2-CE1 3.78Å; Y149-Y157 HydrophobicContact CD2-CE2 4.09Å; Y149-Y157 AromaticContact CD2-CZ 3.67Å; Y149-Y157 HydrophobicContact CE2-CE2 4.3Å
150	C	97.2	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.			trans	-119.2	81.9	-172	-62.7	0	0	0	0	109.8	C73 M75 N152 S153 K156	C73-C150 WeakPolarHBondContact CA-SG 3.2Å; C73-C150 HydrophobicContact CB-CB 3.65Å; C73-C150 WeakPolarHBondContact CB-SG 3.5Å; C73-C150 WeakPolarHBondContact SG-CA 3.5Å; C73-C150 WeakPolarHBondContact SG-CB 3.35Å; C73-C150 CovalentContact SG-SG 2.04Å; C73-C150 PolarHBondContact SG-SG 2.82Å; M75-C150 HydrophobicContact CE-CB 3.82Å; C150-N152 PolarHBondContact O-N 2.9Å; C150-S153 PolarHBondContact O-N 3.28Å; C150-K156 PolarHBondContact N-O 3.33Å
151	P	95.1	Very high	97.3	Very high	12 Å²	12	31 Å²	31	8%	0.078	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.8	-171.7	20.7	-31.1	0	0	0	113.8	A20 Y149 K156	A20-P151 HydrophobicContact CB-CB 3.52Å; A20-P151 HydrophobicContact CB-CG 3.77Å; A20-P151 WeakPolarHBondContact O-CG 3.31Å; Y149-P151 HydrophobicContact CD1-CB 4.5Å; Y149-P151 HydrophobicContact CD1-CG 4.38Å; Y149-P151 HydrophobicContact CE1-CB 3.7Å; Y149-P151 HydrophobicContact CE1-CG 4Å; Y149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-K156 PolarHBondContact O-NZ 3.06Å
152	N	94.1	Very high	97.3	Very high	117 Å²	117	29.4 Å²	29.4	63%	0.626	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.2	-177.5	-59.9	-35.8	0	0	0	113.5	C150	C150-N152 PolarHBondContact O-N 2.9Å
153	S	94.4	Very high	97.4	Very high	25 Å²	25	28.1 Å²	28.1	18%	0.175	14%	0.139	C	C	.	.	S	Bend	trans	-91.5	157.3	178.7	-59.3	0	0	0	0	111.2	C73 C150 Y155 K156	C73-S153 PolarHBondContact O-OG 2.8Å; C150-S153 PolarHBondContact O-N 3.28Å; S153-Y155 VanDerWaalsContact C-N 3.34Å; S153-Y155 WeakPolarHBondContact CB-O 3.38Å; S153-Y155 PolarHBondContact O-N 2.94Å; S153-K156 WeakPolarHBondContact O-CE 3.34Å; S153-K156 PolarHBondContact O-NZ 3.34Å
154	T	93.8	Very high	97.4	Very high	126 Å²	126	28.1 Å²	28.1	77%	0.773	14%	0.139	S	C	*	.	S	Bend	trans	-57.2	-48.9	174.6	-54.9	0	0	0	0	111.1
155	Y	96.1	Very high	97.3	Very high	106 Å²	106	29.8 Å²	29.8	42%	0.416	15%	0.15	S	C	.	.	S	Bend	trans	-89.2	133.3	168.4	-60	-68.5	0	0	0	109.3	M75 M96 S153	M75-Y155 WeakPolarHBondContact CE-O 3.22Å; M96-Y155 HydrophobicContact CB-CD1 4.39Å; M96-Y155 HydrophobicContact CB-CD2 3.71Å; M96-Y155 HydrophobicContact CB-CE2 4.33Å; M96-Y155 HydrophobicContact CB-CG 3.74Å; M96-Y155 HydrophobicContact CG-CD2 4.38Å; M96-Y155 HydrophobicContact SD-CD2 4.15Å; S153-Y155 VanDerWaalsContact C-N 3.34Å; S153-Y155 WeakPolarHBondContact CB-O 3.38Å; S153-Y155 PolarHBondContact O-N 2.94Å
156	K	96.7	Very high	97.3	Very high	66 Å²	66	31 Å²	31	29%	0.287	16%	0.157	S	C	.	.	S	Bend	trans	-86.6	-17.2	-175.2	-55.9	-54.1	179.7	-168.5	0	113.3	A97 Y149 C150 P151 S153	A97-K156 PolarHBondContact O-N 3.28Å; Y149-K156 CarbonylContact C-O 3.51Å; Y149-K156 VanDerWaalsContact CA-O 3.31Å; Y149-K156 WeakPolarHBondContact CA-O 3.31Å; Y149-K156 HydrophobicContact CD2-CB 4.18Å; Y149-K156 VanDerWaalsContact CD2-O 3.27Å; Y149-K156 WeakPolarHBondContact CD2-O 3.36Å; Y149-K156 HydrophobicContact CE2-CB 3.79Å; C150-K156 PolarHBondContact N-O 3.33Å; P151-K156 PolarHBondContact O-NZ 3.06Å; S153-K156 WeakPolarHBondContact O-CE 3.34Å; S153-K156 PolarHBondContact O-NZ 3.34Å
157	Y	97.9	Very high	97.3	Very high	51 Å²	51	31.3 Å²	31.3	20%	0.2	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.3	-178.6	-63.1	-91	0	0	0	110.3	M96 A97 F99 K100 M147 A148 Y149	M96-Y157 WeakPolarHBondContact CA-O 3.24Å; A97-Y157 PolarHBondContact N-O 3.5Å; A97-Y157 PolarHBondContact O-N 2.73Å; F99-Y157 VanDerWaalsContact C-CE2 3.47Å; K100-Y157 HydrophobicContact CB-CD1 3.93Å; K100-Y157 HydrophobicContact CB-CD2 4.37Å; K100-Y157 HydrophobicContact CB-CE1 3.56Å; K100-Y157 HydrophobicContact CB-CE2 4.04Å; K100-Y157 HydrophobicContact CB-CG 4.32Å; K100-Y157 HydrophobicContact CD-CE1 4.2Å; K100-Y157 HydrophobicContact CG-CD1 4.11Å; K100-Y157 HydrophobicContact CG-CE1 3.95Å; M147-Y157 HydrophobicContact SD-CD1 4.04Å; A148-Y157 WeakPolarHBondContact O-CA 3.34Å; Y149-Y157 HydrophobicContact CD2-CD1 4.31Å; Y149-Y157 AromaticContact CD2-CE1 3.78Å; Y149-Y157 HydrophobicContact CD2-CE1 3.78Å; Y149-Y157 HydrophobicContact CD2-CE2 4.09Å; Y149-Y157 AromaticContact CD2-CZ 3.67Å; Y149-Y157 HydrophobicContact CE2-CE2 4.3Å
158	F	98.3	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.8	-180	-174.1	-149	0	0	0	110.2	W69 M75 L94 M96 M147 A148 V160	W69-F158 AromaticContact NE1-CZ 3.89Å; M75-F158 HydrophobicContact CE-CB 3.77Å; M75-F158 HydrophobicContact CE-CG 4.31Å; M75-F158 HydrophobicContact SD-CB 3.72Å; M75-F158 HydrophobicContact SD-CD1 4.36Å; M75-F158 HydrophobicContact SD-CD2 3.63Å; M75-F158 HydrophobicContact SD-CE2 4.32Å; M75-F158 HydrophobicContact SD-CG 3.66Å; L94-F158 HydrophobicContact CB-CE2 4.17Å; L94-F158 HydrophobicContact CD1-CE2 4.06Å; L94-F158 HydrophobicContact CD1-CZ 4.17Å; L94-F158 HydrophobicContact CD2-CE2 3.74Å; L94-F158 HydrophobicContact CD2-CZ 3.79Å; L94-F158 HydrophobicContact CG-CE2 4.21Å; M96-F158 HydrophobicContact CG-CD2 4Å; M96-F158 HydrophobicContact CG-CE2 4.43Å; M147-F158 CarbonylContact C-O 3.57Å; M147-F158 VanDerWaalsContact CA-O 3.3Å; M147-F158 WeakPolarHBondContact CA-O 3.37Å; A148-F158 PolarHBondContact N-O 2.69Å; A148-F158 PolarHBondContact O-N 2.91Å; F158-V160 HydrophobicContact CD1-CG2 4.16Å; F158-V160 HydrophobicContact CD2-CG2 4.43Å; F158-V160 HydrophobicContact CE1-CG2 3.79Å; F158-V160 HydrophobicContact CE2-CG2 4.08Å; F158-V160 HydrophobicContact CG-CG2 4.46Å; F158-V160 HydrophobicContact CZ-CG2 3.74Å
159	Y	98.6	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.6	-178.7	-62.2	-110.6	0	0	0	108.9	L94 Y95 N101 W103 A106 M147	L94-Y159 WeakPolarHBondContact CA-O 3.25Å; Y95-Y159 AromaticContact CD1-CD2 3.58Å; Y95-Y159 HydrophobicContact CD1-CD2 3.58Å; Y95-Y159 AromaticContact CD1-CE2 3.92Å; Y95-Y159 HydrophobicContact CD1-CE2 3.92Å; Y95-Y159 HydrophobicContact CD1-CG 4.07Å; Y95-Y159 HydrophobicContact CE1-CD2 4.33Å; Y95-Y159 HydrophobicContact CE1-CE2 4.22Å; Y95-Y159 PolarHBondContact N-O 2.99Å; Y95-Y159 PolarHBondContact O-N 3.29Å; N101-Y159 WeakPolarHBondContact CA-OH 3.35Å; N101-Y159 PolarHBondContact N-OH 3.31Å; N101-Y159 PolarHBondContact O-OH 3.11Å; W103-Y159 HydrophobicContact CD2-CD1 4.15Å; W103-Y159 HydrophobicContact CD2-CE1 4.45Å; W103-Y159 AromaticContact CE3-CD1 3.91Å; W103-Y159 HydrophobicContact CE3-CD1 3.91Å; W103-Y159 AromaticContact CH2-CD1 3.73Å; W103-Y159 HydrophobicContact CH2-CD1 3.73Å; W103-Y159 HydrophobicContact CH2-CG 4.41Å; W103-Y159 AromaticContact CZ2-CD1 3.97Å; W103-Y159 HydrophobicContact CZ2-CD1 3.97Å; W103-Y159 AromaticContact CZ3-CD1 3.7Å; W103-Y159 HydrophobicContact CZ3-CD1 3.7Å; W103-Y159 HydrophobicContact CZ3-CG 4.39Å; A106-Y159 HydrophobicContact CB-CD1 4.41Å; M147-Y159 HydrophobicContact CB-CD1 4.1Å; M147-Y159 HydrophobicContact CB-CE1 4.24Å; M147-Y159 HydrophobicContact CG-CD1 3.9Å; M147-Y159 HydrophobicContact CG-CD2 4.22Å; M147-Y159 HydrophobicContact CG-CE1 3.73Å; M147-Y159 HydrophobicContact CG-CE2 4.07Å; M147-Y159 HydrophobicContact CG-CG 4.14Å; M147-Y159 HydrophobicContact SD-CD1 4.27Å; M147-Y159 HydrophobicContact SD-CE1 3.49Å; M147-Y159 WeakPolarHBondContact SD-CE1 3.46Å; M147-Y159 HydrophobicContact SD-CE2 4.1Å; M147-Y159 PolarHBondContact SD-OH 2.85Å
160	V	98.8	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.5	-179.5	-176	0	0	0	0	107.9	A66 A70 E92 L94 C145 A146 F158	A66-V160 HydrophobicContact CB-CB 4.24Å; A66-V160 HydrophobicContact CB-CG1 3.96Å; A70-V160 HydrophobicContact CB-CB 4.46Å; A70-V160 HydrophobicContact CB-CG2 3.81Å; E92-V160 HydrophobicContact CG-CG1 4.19Å; L94-V160 HydrophobicContact CD2-CB 4.2Å; L94-V160 HydrophobicContact CD2-CG1 4Å; L94-V160 HydrophobicContact CD2-CG2 3.83Å; C145-V160 CarbonylContact C-O 3.58Å; C145-V160 WeakPolarHBondContact CA-O 3.22Å; C145-V160 VanDerWaalsContact CB-O 3.27Å; C145-V160 WeakPolarHBondContact CB-O 3.46Å; A146-V160 PolarHBondContact N-O 2.94Å; A146-V160 PolarHBondContact O-N 3.46Å; F158-V160 HydrophobicContact CD1-CG2 4.16Å; F158-V160 HydrophobicContact CD2-CG2 4.43Å; F158-V160 HydrophobicContact CE1-CG2 3.79Å; F158-V160 HydrophobicContact CE2-CG2 4.08Å; F158-V160 HydrophobicContact CG-CG2 4.46Å; F158-V160 HydrophobicContact CZ-CG2 3.74Å
161	C	98.9	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.3	168.2	-79	0	0	0	0	110	E92 N93 W110 I143 C145 Y163	E92-C161 CarbonylContact C-O 3.23Å; E92-C161 VanDerWaalsContact CA-O 3.25Å; E92-C161 WeakPolarHBondContact CA-O 3.31Å; N93-C161 PolarHBondContact N-O 3.33Å; N93-C161 PolarHBondContact O-N 3.38Å; W110-C161 HydrophobicContact CH2-CB 3.84Å; W110-C161 HydrophobicContact CZ3-CB 4Å; I143-C161 HydrophobicContact CD1-CB 4.28Å; I143-C161 HydrophobicContact CG1-CB 4.46Å; C145-C161 HydrophobicContact CB-CB 4.05Å; C145-C161 WeakPolarHBondContact CB-SG 3.35Å; C145-C161 VanDerWaalsContact SG-CA 3.56Å; C145-C161 WeakPolarHBondContact SG-CB 3.21Å; C145-C161 CovalentContact SG-SG 2.04Å; C145-C161 PolarHBondContact SG-SG 2.9Å; C161-Y163 HydrophobicContact CB-CE2 3.75Å; C161-Y163 WeakPolarHBondContact O-CE2 3.26Å
162	H	98.9	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.1	172.8	-68.5	172.8	0	0	0	110.8	A62 C90 G91 E92 I143 G144	A62-H162 HydrophobicContact CB-CB 4.26Å; C90-H162 HydrophobicContact CB-CB 4.1Å; G91-H162 VanDerWaalsContact O-CA 3.24Å; G91-H162 WeakPolarHBondContact O-CA 3.39Å; E92-H162 IonicContact OE2-CD2 2.77Å; E92-H162 PolarHBondContact OE2-CD2 3.05Å; E92-H162 IonicContact OE2-CE1 2.89Å; E92-H162 IonicContact OE2-NE2 3.89Å; E92-H162 PolarHBondContact OE2-NE2 2.91Å; I143-H162 VanDerWaalsContact CA-O 3.31Å; I143-H162 WeakPolarHBondContact CA-O 3.19Å; G144-H162 PolarHBondContact N-O 2.87Å; G144-H162 PolarHBondContact O-N 3.21Å
163	Y	98.9	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.8	-174.4	-61.6	-99.1	0	0	0	110.3	H39 M56 C90 G91 N93 W110 Q134 N142 I143 C161 P165	H39-Y163 AromaticContact CD2-CE1 3.81Å; H39-Y163 AromaticContact NE2-CE1 3.49Å; H39-Y163 WeakPolarHBondContact NE2-CE1 3.39Å; H39-Y163 AromaticContact NE2-CZ 3.65Å; H39-Y163 PolarHBondContact NE2-OH 2.76Å; M56-Y163 HydrophobicContact CE-CD1 3.79Å; M56-Y163 HydrophobicContact CE-CE1 4.09Å; C90-Y163 CarbonylContact C-O 3.42Å; C90-Y163 WeakPolarHBondContact CA-O 3.42Å; C90-Y163 VanDerWaalsContact CB-O 3.31Å; C90-Y163 WeakPolarHBondContact CB-O 3.35Å; G91-Y163 PolarHBondContact N-O 2.91Å; G91-Y163 PolarHBondContact O-N 3.32Å; N93-Y163 HydrophobicContact CB-CE2 3.73Å; N93-Y163 PolarHBondContact ND2-OH 3.12Å; W110-Y163 WeakPolarHBondContact CZ3-OH 3.4Å; Q134-Y163 HydrophobicContact CG-CD1 3.98Å; Q134-Y163 HydrophobicContact CG-CD2 3.42Å; Q134-Y163 VanDerWaalsContact CG-CD2 3.42Å; Q134-Y163 HydrophobicContact CG-CE1 4.28Å; Q134-Y163 HydrophobicContact CG-CE2 3.77Å; Q134-Y163 HydrophobicContact CG-CG 3.55Å; Q134-Y163 VanDerWaalsContact NE2-CB 3.33Å; N142-Y163 CarbonylContact O-C 3.39Å; N142-Y163 WeakPolarHBondContact O-CA 3.47Å; I143-Y163 HydrophobicContact CD1-CD1 4.06Å; I143-Y163 HydrophobicContact CD1-CE1 3.52Å; I143-Y163 HydrophobicContact CG1-CD1 4.27Å; I143-Y163 HydrophobicContact CG1-CE1 4.19Å; C161-Y163 HydrophobicContact CB-CE2 3.75Å; C161-Y163 WeakPolarHBondContact O-CE2 3.26Å; Y163-P165 CarbonylContact C-O 3.5Å; Y163-P165 CarbonylContact O-C 3.41Å; Y163-P165 VanDerWaalsContact O-O 3.13Å
164	C	98.4	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.6	-171.7	-34.1	0	0	0	0	111.5	I85 C90 K141 N142	I85-C164 HydrophobicContact CD1-CB 3.69Å; I85-C164 HydrophobicContact CG1-CB 4.32Å; C90-C164 HydrophobicContact CB-CB 4.03Å; C90-C164 WeakPolarHBondContact CB-SG 3.49Å; C90-C164 WeakPolarHBondContact SG-CB 3.31Å; C90-C164 CovalentContact SG-SG 2.04Å; C90-C164 PolarHBondContact SG-SG 2.6Å; K141-C164 PolarHBondContact N-O 3.3Å; N142-C164 HydrophobicContact CB-CB 4.09Å; N142-C164 WeakPolarHBondContact CB-O 3.42Å; N142-C164 PolarHBondContact N-O 2.83Å; N142-C164 PolarHBondContact O-N 2.79Å
165	P	98.4	Very high	97.7	Very high	36 Å²	36	37 Å²	37	23%	0.234	18%	0.178	C	C	.	.	S	Bend	cis	-60.5	167.1	-11.1	29.2	-38	0	0	0	112.6	G89 T139 S140 Y163	G89-P165 WeakPolarHBondContact O-CA 3.38Å; T139-P165 VanDerWaalsContact O-CD 3.3Å; T139-P165 WeakPolarHBondContact O-CD 3.47Å; S140-P165 PolarHBondContact OG-O 2.74Å; Y163-P165 CarbonylContact C-O 3.5Å; Y163-P165 CarbonylContact O-C 3.41Å; Y163-P165 VanDerWaalsContact O-O 3.13Å
166	P	98.2	Very high	97.8	Very high	25 Å²	25	37 Å²	37	16%	0.162	18%	0.181	C	C	.	.			trans	-62.9	149.9	-179.3	-8.7	24.1	0	0	0	111	G89 Y169	G89-P166 WeakPolarHBondContact O-CD 3.43Å; P166-Y169 HydrophobicContact CB-CE2 4.42Å; P166-Y169 WeakPolarHBondContact CG-OH 3.36Å; P166-Y169 WeakPolarHBondContact O-CE2 3.3Å
167	G	98.2	Very high	97.9	Very high	9 Å²	9	36.5 Å²	36.5	9%	0.093	19%	0.185	C	C	.	.			trans	-100.1	-159.9	169.8	0	0	0	0	0	113.4	W137 Y169	W137-G167 VanDerWaalsContact CD2-CA 3.45Å; W137-G167 VanDerWaalsContact CG-CA 3.42Å; G167-Y169 VanDerWaalsContact C-N 3.26Å; G167-Y169 PolarHBondContact O-N 3Å
168	N	98	Very high	97.9	Very high	52 Å²	52	35.3 Å²	35.3	28%	0.278	19%	0.188	S	C	.	.			trans	62.7	21.5	168.2	-64.1	-11.4	0	0	0	116.2	G130 T133 Q134 W137 N170 L171	G130-N168 PolarHBondContact O-ND2 3.49Å; T133-N168 WeakPolarHBondContact CB-OD1 3.48Å; T133-N168 PolarHBondContact OG1-OD1 2.88Å; Q134-N168 PolarHBondContact N-OD1 3.27Å; W137-N168 VanDerWaalsContact CZ3-N 3.27Å; N168-N170 PolarHBondContact O-N 2.92Å; N168-L171 HydrophobicContact CB-CD2 3.73Å
169	Y	95.3	Very high	97.9	Very high	176 Å²	176	40.8 Å²	40.8	69%	0.69	22%	0.222	S	C	*	.	S	Bend	trans	-66.1	-24.7	168.5	-61	-68.9	0	0	0	112.8	W137 P166 G167	W137-Y169 HydrophobicContact CZ2-CD2 4.25Å; P166-Y169 HydrophobicContact CB-CE2 4.42Å; P166-Y169 WeakPolarHBondContact CG-OH 3.36Å; P166-Y169 WeakPolarHBondContact O-CE2 3.3Å; G167-Y169 VanDerWaalsContact C-N 3.26Å; G167-Y169 PolarHBondContact O-N 3Å
170	N	93.8	Very high	97.9	Very high	72 Å²	72	42.5 Å²	42.5	39%	0.385	23%	0.234	S	C	.	.			trans	-142.7	108.9	172.6	178.8	5.3	0	0	0	109.7	W137 N168 T172	W137-N170 HydrophobicContact CH2-CB 4.35Å; W137-N170 WeakPolarHBondContact CH2-O 3.2Å; W137-N170 WeakPolarHBondContact CZ3-O 3.14Å; N168-N170 PolarHBondContact O-N 2.92Å; N170-T172 PolarHBondContact ND2-OG1 3.05Å; N170-T172 VanDerWaalsContact ND2-OG1 3.17Å; N170-T172 PolarHBondContact O-N 3.1Å; N170-T172 PolarHBondContact OD1-N 3.24Å; N170-T172 PolarHBondContact OD1-OG1 2.9Å
171	L	96.5	Very high	97.8	Very high	75 Å²	75	42.8 Å²	42.8	39%	0.393	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.9	-179.1	-64.4	179.2	0	0	0	114.3	F117 T133 N168	F117-L171 VanDerWaalsContact CE2-O 3.3Å; F117-L171 WeakPolarHBondContact CE2-O 3.36Å; T133-L171 HydrophobicContact CG2-CD2 4.4Å; T133-L171 WeakPolarHBondContact OG1-CD2 3.5Å; N168-L171 HydrophobicContact CB-CD2 3.73Å
172	T	97.6	Very high	97.6	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.239	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-29.5	178.1	69.6	0	0	0	0	113	G120 V121 N170	G120-T172 PolarHBondContact N-O 2.97Å; V121-T172 WeakPolarHBondContact O-CG2 3.15Å; N170-T172 PolarHBondContact ND2-OG1 3.05Å; N170-T172 VanDerWaalsContact ND2-OG1 3.17Å; N170-T172 PolarHBondContact O-N 3.1Å; N170-T172 PolarHBondContact OD1-N 3.24Å; N170-T172 PolarHBondContact OD1-OG1 2.9Å
173	N	98	Very high	97.3	Very high	59 Å²	59	47.2 Å²	47.2	32%	0.316	27%	0.27	S	S	.	.			trans	-136.2	79	-173.4	-65	84.2	0	0	0	110.6	Y119 Y175	Y119-N173 WeakPolarHBondContact CE1-ND2 3.4Å; Y119-N173 VanDerWaalsContact CZ-ND2 3.27Å; Y119-N173 PolarHBondContact OH-ND2 2.91Å; N173-Y175 PolarHBondContact O-N 2.83Å
174	P	98.4	Very high	96.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.013	27%	0.271	C	S	.	.	S	Bend	trans	-69.8	-13.5	-178.4	26.6	-33.4	0	0	0	114.4	F117 T133 V136 W137 A138	F117-P174 HydrophobicContact CZ-CG 4.21Å; T133-P174 HydrophobicContact CG2-CB 4.37Å; T133-P174 HydrophobicContact CG2-CG 4.28Å; V136-P174 HydrophobicContact CG2-CB 4.05Å; V136-P174 HydrophobicContact CG2-CG 3.87Å; W137-P174 HydrophobicContact CD2-CB 4.5Å; W137-P174 HydrophobicContact CE3-CB 3.61Å; W137-P174 VanDerWaalsContact CZ3-CA 3.49Å; W137-P174 HydrophobicContact CZ3-CB 3.85Å; A138-P174 PolarHBondContact N-O 2.82Å
175	Y	98.6	Very high	96.4	Very high	8 Å²	8	52.3 Å²	52.3	3%	0.031	30%	0.303	C	S	.	.	S	Bend	trans	-152.8	169	177.9	52.9	-98.4	0	0	0	110	V46 Q47 P48 A50 M53 Y119 V136 N173	V46-Y175 HydrophobicContact CB-CE1 3.97Å; V46-Y175 HydrophobicContact CG1-CE1 4.19Å; V46-Y175 HydrophobicContact CG2-CE1 4.03Å; V46-Y175 HydrophobicContact CG2-CE2 4.18Å; Q47-Y175 PolarHBondContact O-OH 2.92Å; P48-Y175 HydrophobicContact CG-CE2 4.46Å; P48-Y175 WeakPolarHBondContact O-CE2 3.12Å; P48-Y175 PolarHBondContact O-OH 3.38Å; A50-Y175 HydrophobicContact CB-CD2 3.36Å; A50-Y175 HydrophobicContact CB-CE2 3.87Å; A50-Y175 HydrophobicContact CB-CG 3.74Å; M53-Y175 HydrophobicContact CE-CD1 3.49Å; M53-Y175 VanDerWaalsContact CE-CD1 3.49Å; M53-Y175 HydrophobicContact CE-CE1 4.17Å; M53-Y175 HydrophobicContact CE-CG 3.77Å; Y119-Y175 HydrophobicContact CD2-CE1 4.41Å; Y119-Y175 AromaticContact CD2-CE2 3.89Å; Y119-Y175 HydrophobicContact CD2-CE2 3.89Å; Y119-Y175 AromaticContact CD2-CZ 3.81Å; Y119-Y175 AromaticContact CE2-CD2 3.76Å; Y119-Y175 HydrophobicContact CE2-CD2 3.76Å; Y119-Y175 HydrophobicContact CE2-CE1 4.38Å; Y119-Y175 AromaticContact CE2-CE2 3.5Å; Y119-Y175 HydrophobicContact CE2-CE2 3.5Å; Y119-Y175 VanDerWaalsContact CE2-CE2 3.5Å; Y119-Y175 HydrophobicContact CE2-CG 4.33Å; Y119-Y175 AromaticContact CE2-CZ 3.84Å; Y119-Y175 WeakPolarHBondContact CE2-O 3.43Å; Y119-Y175 PolarHBondContact OH-O 2.83Å; V136-Y175 HydrophobicContact CB-CD1 4.47Å; V136-Y175 HydrophobicContact CB-CE1 4.45Å; V136-Y175 HydrophobicContact CG2-CD1 4.26Å; V136-Y175 HydrophobicContact CG2-CE1 4.1Å; N173-Y175 PolarHBondContact O-N 2.83Å
176	K	98.4	Very high	95.7	Very high	108 Å²	108	53.5 Å²	53.5	47%	0.47	31%	0.312	S	S	.	.			trans	-84.9	120.3	173.2	-178	174.5	159.4	-157.4	0	109.5	A50 S51 N52 D183	A50-K176 CarbonylContact C-O 3.5Å; A50-K176 WeakPolarHBondContact CA-O 3.29Å; S51-K176 PolarHBondContact N-O 3.25Å; S51-K176 WeakPolarHBondContact OG-CG 3.49Å; S51-K176 PolarHBondContact OG-O 2.65Å; N52-K176 PolarHBondContact OD1-N 3.23Å; K176-D183 WeakPolarHBondContact CD-OD2 3.46Å; K176-D183 IonicContact NZ-OD1 3.54Å; K176-D183 PolarHBondContact NZ-OD1 3.5Å; K176-D183 IonicContact NZ-OD2 3.45Å; K176-D183 PolarHBondContact NZ-OD2 3.38Å
177	S	98.6	Very high	95.1	Very high	54 Å²	54	52.6 Å²	52.6	38%	0.378	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-68	135.3	176.1	179	0	0	0	0	110.5	P48 T49 Y119	P48-S177 WeakPolarHBondContact CB-OG 3.34Å; P48-S177 WeakPolarHBondContact CG-OG 3.3Å; T49-S177 CarbonylContact O-C 3.59Å; T49-S177 WeakPolarHBondContact O-CA 3.3Å; Y119-S177 PolarHBondContact OH-N 3.21Å; Y119-S177 VanDerWaalsContact OH-N 3.1Å
178	G	98.1	Very high	94.8	Very high	26 Å²	26	55.1 Å²	55.1	27%	0.268	32%	0.322	S	S	.	.	S	Bend	trans	164.9	-177.5	179.2	0	0	0	0	0	112.5	T49 S180	T49-G178 CarbonylContact C-O 3.49Å; T49-G178 VanDerWaalsContact C-O 3.23Å; T49-G178 WeakPolarHBondContact CB-O 3.45Å; T49-G178 PolarHBondContact O-N 2.84Å; T49-G178 PolarHBondContact OG1-O 2.88Å; G178-S180 PolarHBondContact O-N 3.25Å
179	T	98.1	Very high	94.7	Very high	115 Å²	115	55.5 Å²	55.5	71%	0.706	32%	0.324	S	S	*	.	S	Bend	trans	-55.1	133	174.6	-56	0	0	0	0	110	S51 C181 G182	S51-T179 VanDerWaalsContact CA-O 3.23Å; S51-T179 WeakPolarHBondContact CA-O 3.45Å; S51-T179 WeakPolarHBondContact CB-O 3.23Å; T179-C181 PolarHBondContact O-N 3.3Å; T179-G182 WeakPolarHBondContact O-CA 3.04Å; T179-G182 PolarHBondContact O-N 2.04Å
180	S	98.1	Very high	94.7	Very high	36 Å²	36	52 Å²	52	25%	0.252	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	130.4	177.5	-65.9	0	0	0	0	111.8	A50 G178 G182	A50-S180 WeakPolarHBondContact O-CA 3.35Å; G178-S180 PolarHBondContact O-N 3.25Å; S180-G182 PolarHBondContact O-N 3.24Å
181	C	96.4	Very high	94.9	Very high	7 Å²	7	53.7 Å²	53.7	5%	0.047	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	17.5	-174.2	-58.9	0	0	0	0	116	S51 T179 D183 C184 C188	S51-C181 CarbonylContact O-C 3.51Å; S51-C181 WeakPolarHBondContact O-CA 3.48Å; T179-C181 PolarHBondContact O-N 3.3Å; C181-D183 PolarHBondContact O-N 3.19Å; C181-C184 VanDerWaalsContact CA-SG 3.51Å; C181-C184 VanDerWaalsContact CB-SG 3.59Å; C181-C184 CarbonylContact O-C 3.23Å; C181-C184 VanDerWaalsContact O-C 3.23Å; C181-C184 PolarHBondContact O-N 3.06Å; C181-C188 HydrophobicContact CB-CB 3.47Å; C181-C188 VanDerWaalsContact CB-CB 3.47Å; C181-C188 WeakPolarHBondContact CB-SG 3.08Å; C181-C188 WeakPolarHBondContact SG-CB 3.33Å; C181-C188 CovalentContact SG-SG 2.04Å; C181-C188 PolarHBondContact SG-SG 3.13Å
182	G	94.5	Very high	94.9	Very high	44 Å²	44	50.1 Å²	50.1	45%	0.454	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.4	179.9	0	0	0	0	0	114.1	S51 T179 S180	S51-G182 PolarHBondContact O-N 3.49Å; T179-G182 WeakPolarHBondContact O-CA 3.04Å; T179-G182 PolarHBondContact O-N 2.04Å; S180-G182 PolarHBondContact O-N 3.24Å
183	D	92.1	Very high	94.9	Very high	48 Å²	48	48.3 Å²	48.3	26%	0.257	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.9	175.9	-60.9	-39.5	0	0	0	112.9	S51 N52 K176 C181 I231	S51-D183 WeakPolarHBondContact CB-OD2 3.2Å; S51-D183 PolarHBondContact O-N 2.81Å; S51-D183 PolarHBondContact OG-OD2 3.08Å; N52-D183 HydrophobicContact CB-CB 4.14Å; N52-D183 WeakPolarHBondContact CB-OD2 3.18Å; K176-D183 WeakPolarHBondContact CD-OD2 3.46Å; K176-D183 IonicContact NZ-OD1 3.54Å; K176-D183 PolarHBondContact NZ-OD1 3.5Å; K176-D183 IonicContact NZ-OD2 3.45Å; K176-D183 PolarHBondContact NZ-OD2 3.38Å; C181-D183 PolarHBondContact O-N 3.19Å; D183-I231 HydrophobicContact CB-CD1 4.33Å
184	C	90.1	Very high	94.4	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.02	29%	0.287	C	S	.	.			trans	-148	53.2	-178.2	62.5	0	0	0	0	112.4	C181 S186 A187 C188 C193	C181-C184 VanDerWaalsContact CA-SG 3.51Å; C181-C184 VanDerWaalsContact CB-SG 3.59Å; C181-C184 CarbonylContact O-C 3.23Å; C181-C184 VanDerWaalsContact O-C 3.23Å; C181-C184 PolarHBondContact O-N 3.06Å; C184-S186 PolarHBondContact O-N 3.27Å; C184-A187 CarbonylContact O-C 3.59Å; C184-A187 PolarHBondContact O-N 2.59Å; C184-C188 PolarHBondContact O-N 2.03Å; C184-C193 HydrophobicContact CB-CB 3.69Å; C184-C193 WeakPolarHBondContact CB-SG 3.45Å; C184-C193 WeakPolarHBondContact SG-CA 3.33Å; C184-C193 WeakPolarHBondContact SG-CB 2.98Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 3.21Å
185	P	88.6	Confident	93.2	Very high	105 Å²	105	54.4 Å²	54.4	68%	0.682	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.3	-172.3	26.2	-35.2	0	0	0	113
186	S	83.3	Confident	91.3	Very high	60 Å²	60	55.5 Å²	55.5	42%	0.42	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.7	176.9	23.9	0	0	0	0	114.5	C184 E230	C184-S186 PolarHBondContact O-N 3.27Å; S186-E230 PolarHBondContact OG-OE1 2.9Å
187	A	87.5	Confident	89.1	Confident	6 Å²	6	58 Å²	58	5%	0.05	34%	0.338	C	S	.	.	S	Bend	trans	-134.4	40.3	-171.3	0	0	0	0	0	112.3	C184 C193 S194 E230	C184-A187 CarbonylContact O-C 3.59Å; C184-A187 PolarHBondContact O-N 2.59Å; A187-C193 CarbonylContact O-C 3.48Å; A187-S194 VanDerWaalsContact CB-O 3.28Å; A187-S194 WeakPolarHBondContact CB-O 3.48Å; A187-S194 PolarHBondContact O-N 3.02Å; A187-S194 PolarHBondContact O-OG 3.38Å; A187-E230 WeakPolarHBondContact CB-OE2 3.47Å
188	C	91.8	Very high	86.8	Confident	63 Å²	63	60.5 Å²	60.5	43%	0.426	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.7	180	-169.7	0	0	0	0	112.6	C181 C184	C181-C188 HydrophobicContact CB-CB 3.47Å; C181-C188 VanDerWaalsContact CB-CB 3.47Å; C181-C188 WeakPolarHBondContact CB-SG 3.08Å; C181-C188 WeakPolarHBondContact SG-CB 3.33Å; C181-C188 CovalentContact SG-SG 2.04Å; C181-C188 PolarHBondContact SG-SG 3.13Å; C184-C188 PolarHBondContact O-N 2.03Å
189	D	94.4	Very high	84.4	Confident	59 Å²	59	63.3 Å²	63.3	32%	0.316	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	95.2	168.4	178.5	-7.4	0	0	0	109.2	R44 K55 K191 L192	R44-D189 IonicContact NH2-OD1 3.92Å; K55-D189 HydrophobicContact CD-CB 4.38Å; K55-D189 WeakPolarHBondContact CD-OD2 3.42Å; K55-D189 WeakPolarHBondContact CE-OD2 3.44Å; K55-D189 IonicContact NZ-OD2 2.63Å; K55-D189 PolarHBondContact NZ-OD2 2.71Å; D189-K191 PolarHBondContact O-N 2.74Å; D189-L192 PolarHBondContact N-O 2.74Å; D189-L192 PolarHBondContact O-N 3.28Å; D189-L192 VanDerWaalsContact O-N 3.13Å
190	N	95.4	Very high	82.1	Confident	104 Å²	104	60 Å²	60	56%	0.556	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	68.3	177.3	-175.9	17.8	0	0	0	111.9	R44 L192	R44-N190 WeakPolarHBondContact CD-O 3.4Å; R44-N190 WeakPolarHBondContact CG-O 3.27Å; R44-N190 PolarHBondContact NE-ND2 3.33Å; R44-N190 PolarHBondContact NE-O 2.75Å; N190-L192 PolarHBondContact O-N 2.62Å
191	K	97.9	Very high	79.8	Confident	106 Å²	106	63.8 Å²	63.8	46%	0.461	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	4.3	-179.2	-51	179.8	177.6	-177.9	0	116.7	R44 D189	R44-K191 HydrophobicContact CG-CB 4.27Å; D189-K191 PolarHBondContact O-N 2.74Å
192	L	98.1	Very high	77.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.2	174.3	-57.3	175.2	0	0	0	110.6	N40 R43 R44 M53 K55 D189 N190	N40-L192 HydrophobicContact CB-CD1 3.75Å; N40-L192 WeakPolarHBondContact OD1-CD1 3.28Å; R43-L192 HydrophobicContact CB-CD2 3.78Å; R44-L192 HydrophobicContact CG-CD1 3.92Å; R44-L192 HydrophobicContact CG-CD2 3.92Å; R44-L192 HydrophobicContact CG-CG 3.65Å; M53-L192 HydrophobicContact CB-CD2 4.08Å; M53-L192 HydrophobicContact CG-CD2 3.48Å; M53-L192 VanDerWaalsContact CG-CD2 3.48Å; M53-L192 CarbonylContact O-C 3.46Å; M53-L192 WeakPolarHBondContact O-CA 2.98Å; K55-L192 HydrophobicContact CB-CB 3.87Å; K55-L192 HydrophobicContact CB-CD1 4.18Å; K55-L192 HydrophobicContact CG-CD1 4.11Å; D189-L192 PolarHBondContact N-O 2.74Å; D189-L192 PolarHBondContact O-N 3.28Å; D189-L192 VanDerWaalsContact O-N 3.13Å; N190-L192 PolarHBondContact O-N 2.62Å
193	C	95.8	Very high	75.2	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.014	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.1	169.5	-61.9	0	0	0	0	110.4	M53 M54 K55 C184 A187	M53-C193 PolarHBondContact O-N 2.8Å; M54-C193 CarbonylContact C-O 3.4Å; M54-C193 WeakPolarHBondContact CA-O 3.45Å; M54-C193 HydrophobicContact SD-CB 3.58Å; M54-C193 VanDerWaalsContact SD-CB 3.58Å; K55-C193 WeakPolarHBondContact CB-O 3.45Å; K55-C193 PolarHBondContact N-O 2.63Å; C184-C193 HydrophobicContact CB-CB 3.69Å; C184-C193 WeakPolarHBondContact CB-SG 3.45Å; C184-C193 WeakPolarHBondContact SG-CA 3.33Å; C184-C193 WeakPolarHBondContact SG-CB 2.98Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 3.21Å; A187-C193 CarbonylContact O-C 3.48Å
194	S	88.6	Confident	73	Confident	29 Å²	29	76.7 Å²	76.7	20%	0.203	42%	0.415	C	S	.	.			trans	-119.9	168.8	175.3	64.2	0	0	0	0	109.1	A187 C196	A187-S194 VanDerWaalsContact CB-O 3.28Å; A187-S194 WeakPolarHBondContact CB-O 3.48Å; A187-S194 PolarHBondContact O-N 3.02Å; A187-S194 PolarHBondContact O-OG 3.38Å; S194-C196 PolarHBondContact O-N 2.81Å
195	K	72.1	Confident	70.9	Confident	160 Å²	160	77.9 Å²	77.9	70%	0.696	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-65	133.1	166.6	-67	-174.4	176.2	-173.8	0	107.8	K197	K195-K197 PolarHBondContact O-N 2.96Å; K195-K197 VanDerWaalsContact O-N 3.09Å
196	C	59.8	Low	69	Low	30 Å²	30	78.9 Å²	78.9	20%	0.203	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-47.1	122.1	168.3	-73.7	0	0	0	0	108.7	S194 H223 C227	S194-C196 PolarHBondContact O-N 2.81Å; C196-H223 PolarHBondContact O-CE1 2.89Å; C196-C227 HydrophobicContact CB-CB 4.05Å; C196-C227 WeakPolarHBondContact CB-SG 2.92Å; C196-C227 WeakPolarHBondContact SG-CB 3.28Å; C196-C227 CovalentContact SG-SG 2.06Å; C196-C227 PolarHBondContact SG-SG 3.29Å
197	K	52.7	Low	67.2	Low	160 Å²	160	82.4 Å²	82.4	70%	0.696	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-75.3	133.2	172.4	-68.8	-178.5	-179.6	177.7	0	107.6	K195 I199 H223	K195-K197 PolarHBondContact O-N 2.96Å; K195-K197 VanDerWaalsContact O-N 3.09Å; K197-I199 HydrophobicContact CB-CD1 4.05Å; K197-I199 HydrophobicContact CB-CG1 3.78Å; K197-I199 PolarHBondContact O-N 3.42Å; K197-H223 PolarHBondContact O-ND1 3.09Å; K197-H223 VanDerWaalsContact O-ND1 3.14Å
198	N	50.1	Low	65.2	Low	107 Å²	107	91 Å²	91	57%	0.572	48%	0.476	S	S	*	.			trans	-62	90.4	162.2	-76.8	-37.9	0	0	0	107.4	H223	N198-H223 WeakPolarHBondContact CA-ND1 3.06Å; N198-H223 PolarHBondContact OD1-CD2 2.91Å; N198-H223 PolarHBondContact OD1-CE1 2.8Å; N198-H223 PolarHBondContact OD1-ND1 3.26Å; N198-H223 VanDerWaalsContact OD1-ND1 3.15Å; N198-H223 PolarHBondContact OD1-NE2 3.24Å
199	I	47.1	Very low	62.9	Low	85 Å²	85	93.5 Å²	93.5	44%	0.436	48%	0.481	S	S	.	.			trans	-108.9	91.8	170.8	-56.4	178.6	0	0	0	106.4	K197 L201	K197-I199 HydrophobicContact CB-CD1 4.05Å; K197-I199 HydrophobicContact CB-CG1 3.78Å; K197-I199 PolarHBondContact O-N 3.42Å; I199-L201 HydrophobicContact CG2-CD2 3.64Å; I199-L201 HydrophobicContact CG2-CG 3.99Å; I199-L201 PolarHBondContact O-N 3.49Å
200	C	49	Very low	60.4	Low	47 Å²	47	96.3 Å²	96.3	32%	0.318	51%	0.506	S	S	.	.	B	Isolated β-bridge	trans	-77.1	106.5	164.8	-69.4	0	0	0	0	107.3	Q202 C205	C200-Q202 PolarHBondContact O-N 3.07Å; C200-C205 HydrophobicContact CB-CB 3.82Å; C200-C205 VanDerWaalsContact SG-SG 3.61Å
201	L	49.7	Very low	58	Low	114 Å²	114	95.1 Å²	95.1	60%	0.597	51%	0.505	S	S	*	.			trans	-82	6.6	-179.9	-69.6	173.9	0	0	0	112.9	I199	I199-L201 HydrophobicContact CG2-CD2 3.64Å; I199-L201 HydrophobicContact CG2-CG 3.99Å; I199-L201 PolarHBondContact O-N 3.49Å
202	Q	47.8	Very low	55.4	Low	108 Å²	108	92.4 Å²	92.4	51%	0.505	50%	0.499	S	S	.	.	S	Bend	trans	-133.8	146.2	-176.1	-66.2	-63.9	-59.2	0	0	111.7	C200 N204 A220	C200-Q202 PolarHBondContact O-N 3.07Å; Q202-N204 PolarHBondContact O-N 2.06Å; Q202-N204 VanDerWaalsContact O-N 3.1Å; Q202-A220 HydrophobicContact CG-CB 3.91Å
203	P	46.3	Very low	53	Low	120 Å²	120	93.9 Å²	93.9	78%	0.779	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.4	-177.3	-16.5	27.9	0	0	0	114.9
204	N	46	Very low	50.7	Low	142 Å²	142	102.1 Å²	102.1	76%	0.759	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	10.6	-168.2	-52.3	-16.2	0	0	0	113.3	Q202 N206	Q202-N204 PolarHBondContact O-N 2.06Å; Q202-N204 VanDerWaalsContact O-N 3.1Å; N204-N206 PolarHBondContact O-N 2.86Å
205	C	47.4	Very low	49	Very low	29 Å²	29	105.3 Å²	105.3	20%	0.196	56%	0.564	C	S	.	*			trans	-87.4	106.2	-179.8	-162.1	0	0	0	0	109	C200	C200-C205 HydrophobicContact CB-CB 3.82Å; C200-C205 VanDerWaalsContact SG-SG 3.61Å
206	N	48	Very low	47.9	Very low	126 Å²	126	106.5 Å²	106.5	67%	0.674	57%	0.572	S	S	*	*			trans	-78.7	129.7	175.2	-73.3	-21.1	0	0	0	109.9	N204 Q208 Q209	N204-N206 PolarHBondContact O-N 2.86Å; N206-Q208 PolarHBondContact O-N 3.14Å; N206-Q209 PolarHBondContact O-N 3.43Å
207	D	45.9	Very low	47.3	Very low	134 Å²	134	110.8 Å²	110.8	72%	0.717	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	5.8	-178.9	-71.3	-30.9	0	0	0	115.4
208	Q	45.9	Very low	47.1	Very low	187 Å²	187	109.8 Å²	109.8	87%	0.874	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	6.6	-177.4	-66.1	-160.2	-41.6	0	0	114.7	N206 S210	N206-Q208 PolarHBondContact O-N 3.14Å; Q208-S210 PolarHBondContact O-N 2.85Å
209	Q	43.6	Very low	47.1	Very low	115 Å²	115	110 Å²	110	54%	0.537	59%	0.591	S	S	.	*			trans	-82.1	102.9	177.7	-91.6	179.2	-15.4	0	0	112.9	N206 S211 S224	N206-Q209 PolarHBondContact O-N 3.43Å; Q209-S211 PolarHBondContact O-N 3.15Å; Q209-S224 PolarHBondContact O-OG 3.36Å
210	S	41.9	Very low	47	Very low	118 Å²	118	107.2 Å²	107.2	83%	0.825	58%	0.581	S	S	*	*			trans	-73.3	4.8	175.2	48.7	0	0	0	0	115.1	Q208	Q208-S210 PolarHBondContact O-N 2.85Å
211	S	43.8	Very low	46.8	Very low	79 Å²	79	106 Å²	106	55%	0.552	57%	0.572	S	S	*	*	S	Bend	trans	-145.2	147.9	-178.7	60.9	0	0	0	0	113.6	Q209	Q209-S211 PolarHBondContact O-N 3.15Å
212	C	43.8	Very low	46.8	Very low	48 Å²	48	103.2 Å²	103.2	32%	0.324	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-74.4	131.7	179.2	-75.8	0	0	0	0	113.4	S224 C225	C212-S224 PolarHBondContact SG-O 3.49Å; C212-C225 VanDerWaalsContact CA-SG 3.59Å; C212-C225 HydrophobicContact CB-CB 4.24Å; C212-C225 WeakPolarHBondContact CB-SG 3.01Å; C212-C225 WeakPolarHBondContact SG-CA 3.48Å; C212-C225 WeakPolarHBondContact SG-CB 2.9Å; C212-C225 PolarHBondContact SG-N 3.36Å; C212-C225 CovalentContact SG-SG 2.01Å; C212-C225 PolarHBondContact SG-SG 2.83Å
213	P	48.6	Very low	46.8	Very low	31 Å²	31	100.8 Å²	100.8	20%	0.201	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-69.1	164.3	167.1	26.8	-29.8	0	0	0	112.2	Q217	P213-Q217 HydrophobicContact CB-CB 3.99Å; P213-Q217 VanDerWaalsContact CB-OE1 3.25Å; P213-Q217 HydrophobicContact CG-CB 3.96Å
214	K	47.2	Very low	46.6	Very low	175 Å²	175	96.8 Å²	96.8	76%	0.761	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53.5	159.7	-176	-72.7	178.7	-178.5	176	0	112.9	Q216 Q217	K214-Q216 PolarHBondContact O-N 3.44Å; K214-Q217 PolarHBondContact O-N 3.34Å
215	P	51.1	Low	46.5	Very low	96 Å²	96	91.3 Å²	91.3	62%	0.623	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-49	-31.1	-168.9	-29.3	34.9	0	0	0	116.5	Q217	P215-Q217 VanDerWaalsContact C-N 3.3Å; P215-Q217 PolarHBondContact O-N 3.01Å
216	Q	50.1	Low	46.5	Very low	186 Å²	186	95.4 Å²	95.4	87%	0.869	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-73.9	-12.3	-179.3	-71.7	172	-15.5	0	0	114.7	K214	K214-Q216 PolarHBondContact O-N 3.44Å
217	Q	47.5	Very low	46.7	Very low	119 Å²	119	90.9 Å²	90.9	56%	0.556	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-109.9	6.4	179.1	-69.7	-174.6	-26.5	0	0	113.5	P213 K214 P215 S219 A220	P213-Q217 HydrophobicContact CB-CB 3.99Å; P213-Q217 VanDerWaalsContact CB-OE1 3.25Å; P213-Q217 HydrophobicContact CG-CB 3.96Å; K214-Q217 PolarHBondContact O-N 3.34Å; P215-Q217 VanDerWaalsContact C-N 3.3Å; P215-Q217 PolarHBondContact O-N 3.01Å; Q217-S219 PolarHBondContact O-N 2.01Å; Q217-A220 WeakPolarHBondContact O-CB 3.15Å; Q217-A220 PolarHBondContact O-N 3.32Å; Q217-A220 VanDerWaalsContact O-N 3.1Å
218	R	48.3	Very low	46.7	Very low	140 Å²	140	91.3 Å²	91.3	53%	0.528	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20	-179	-70.5	-177.6	177.8	-169.2	-0.5	114.2	A220	R218-A220 VanDerWaalsContact C-N 3.25Å; R218-A220 PolarHBondContact O-N 3.24Å
219	S	49.1	Very low	46.6	Very low	111 Å²	111	90.1 Å²	90.1	78%	0.776	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.8	173.1	53.2	0	0	0	0	113.4	Q217	Q217-S219 PolarHBondContact O-N 2.01Å
220	A	45.8	Very low	46.6	Very low	27 Å²	27	86.9 Å²	86.9	22%	0.223	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-19.7	-173.8	0	0	0	0	0	114.3	Q202 Q217 R218	Q202-A220 HydrophobicContact CG-CB 3.91Å; Q217-A220 WeakPolarHBondContact O-CB 3.15Å; Q217-A220 PolarHBondContact O-N 3.32Å; Q217-A220 VanDerWaalsContact O-N 3.1Å; R218-A220 VanDerWaalsContact C-N 3.25Å; R218-A220 PolarHBondContact O-N 3.24Å
221	C	44.1	Very low	46.8	Very low	20 Å²	20	84.6 Å²	84.6	14%	0.135	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-130.8	99.3	-175.5	-60.1	0	0	0	0	110.8
222	S	51.1	Low	46.4	Very low	57 Å²	57	88 Å²	88	40%	0.399	48%	0.475	S	S	.	.	S	Bend	trans	-78.9	-21.4	-177.7	-170.9	0	0	0	0	113.5
223	H	47.2	Very low	46.6	Very low	56 Å²	56	90 Å²	90	26%	0.259	48%	0.482	S	S	.	.	H	α-helix	trans	-88.2	-48.6	-165.6	-151.6	76	0	0	0	115.6	C196 K197 N198 C225	C196-H223 PolarHBondContact O-CE1 2.89Å; K197-H223 PolarHBondContact O-ND1 3.09Å; K197-H223 VanDerWaalsContact O-ND1 3.14Å; N198-H223 WeakPolarHBondContact CA-ND1 3.06Å; N198-H223 PolarHBondContact OD1-CD2 2.91Å; N198-H223 PolarHBondContact OD1-CE1 2.8Å; N198-H223 PolarHBondContact OD1-ND1 3.26Å; N198-H223 VanDerWaalsContact OD1-ND1 3.15Å; N198-H223 PolarHBondContact OD1-NE2 3.24Å; H223-C225 VanDerWaalsContact C-N 3.31Å; H223-C225 PolarHBondContact O-N 3.39Å
224	S	42.2	Very low	46.5	Very low	36 Å²	36	93.1 Å²	93.1	25%	0.252	50%	0.497	S	S	.	.	H	α-helix	trans	-77.5	-12.3	-172.4	-48.3	0	0	0	0	114.6	Q209 C212	Q209-S224 PolarHBondContact O-OG 3.36Å; C212-S224 PolarHBondContact SG-O 3.49Å
225	C	43.5	Very low	46.4	Very low	27 Å²	27	88.6 Å²	88.6	18%	0.182	48%	0.482	C	S	.	.	H	α-helix	trans	-108.8	-19.7	-168.4	-55.2	0	0	0	0	116.4	C212 H223	C212-C225 VanDerWaalsContact CA-SG 3.59Å; C212-C225 HydrophobicContact CB-CB 4.24Å; C212-C225 WeakPolarHBondContact CB-SG 3.01Å; C212-C225 WeakPolarHBondContact SG-CA 3.48Å; C212-C225 WeakPolarHBondContact SG-CB 2.9Å; C212-C225 PolarHBondContact SG-N 3.36Å; C212-C225 CovalentContact SG-SG 2.01Å; C212-C225 PolarHBondContact SG-SG 2.83Å; H223-C225 VanDerWaalsContact C-N 3.31Å; H223-C225 PolarHBondContact O-N 3.39Å
226	F	48.5	Very low	46.1	Very low	115 Å²	115	88.1 Å²	88.1	50%	0.504	47%	0.474	S	S	.	.	H	α-helix	trans	-113.9	-17.9	-173.4	-63.5	-75.8	0	0	0	113.2
227	C	50.5	Low	45.9	Very low	31 Å²	31	82 Å²	82	21%	0.209	45%	0.449	C	S	.	.			trans	-104.4	14.5	-174.1	-55.3	0	0	0	0	114.5	C196 N229 E230	C196-C227 HydrophobicContact CB-CB 4.05Å; C196-C227 WeakPolarHBondContact CB-SG 2.92Å; C196-C227 WeakPolarHBondContact SG-CB 3.28Å; C196-C227 CovalentContact SG-SG 2.06Å; C196-C227 PolarHBondContact SG-SG 3.29Å; C227-N229 PolarHBondContact O-N 3.1Å; C227-E230 PolarHBondContact O-N 3.1Å
228	Q	46.4	Very low	45.8	Very low	144 Å²	144	79.5 Å²	79.5	67%	0.673	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.2	-177.2	-76	-174.5	-17.7	0	0	114.5
229	N	43.4	Very low	45.6	Very low	161 Å²	161	75.2 Å²	75.2	86%	0.861	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	15	-175	-66.5	-24.2	0	0	0	114.5	C227	C227-N229 PolarHBondContact O-N 3.1Å
230	E	44.4	Very low	45.3	Very low	48 Å²	48	72.5 Å²	72.5	22%	0.224	41%	0.41	C	S	.	.			trans	-90.5	144.4	-173.6	-66.2	-159.9	-172.8	0	0	114.1	S186 A187 C227 S232	S186-E230 PolarHBondContact OG-OE1 2.9Å; A187-E230 WeakPolarHBondContact CB-OE2 3.47Å; C227-E230 PolarHBondContact O-N 3.1Å; E230-S232 PolarHBondContact O-N 2.92Å
231	I	46.9	Very low	45.3	Very low	70 Å²	70	76.3 Å²	76.3	36%	0.359	43%	0.426	S	S	.	.			trans	-57.2	114.2	-167.4	-58.6	166.6	0	0	0	111.6	N52 D183	N52-I231 HydrophobicContact CB-CD1 3.54Å; D183-I231 HydrophobicContact CB-CD1 4.33Å
232	S	35.4	Very low	45.4	Very low	150 Å²	150	81.4 Å²	81.4	100%	1.049	45%	0.452	S	S	*	.			trans	-71.1	0	178.8	42.9	0	0	0	0	114.5	K141 E230	K141-S232 PolarHBondContact NZ-OXT 3.42Å; E230-S232 PolarHBondContact O-N 2.92Å

Retrieved 232 of 232 residues in 424.6 ms (Link to these results)

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