A0A077ZE49_TRITR Loading...

Lectin C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	47.3	Very low	242 Å²	242	132.5 Å²	132.5	100%	1.192	80%	0.797	S	S	*	*				0	142.8	0	-57.2	174.5	-166	0	0	107.2	V3	M1-V3 PolarHBondContact O-N 3.21Å
2	C	44.4	Very low	47.4	Very low	127 Å²	127	135.1 Å²	135.1	86%	0.858	80%	0.804	S	S	*	*			trans	-79.2	114.7	-178.8	-62.2	0	0	0	0	110	T4	C2-T4 PolarHBondContact O-N 3.42Å
3	V	46.6	Very low	46.9	Very low	143 Å²	143	129.6 Å²	129.6	87%	0.867	79%	0.793	S	S	*	*			trans	-73.4	110.4	171.4	-176.9	0	0	0	0	107.6	M1 S5	M1-V3 PolarHBondContact O-N 3.21Å; V3-S5 PolarHBondContact O-N 3.2Å
4	T	48	Very low	46.6	Very low	110 Å²	110	125.4 Å²	125.4	68%	0.675	79%	0.789	S	S	*	*			trans	-66.5	122.7	174.7	46.5	0	0	0	0	109.5	C2 M6	C2-T4 PolarHBondContact O-N 3.42Å; T4-M6 PolarHBondContact O-N 3.35Å
5	S	45.3	Very low	46.2	Very low	116 Å²	116	122.1 Å²	122.1	81%	0.811	79%	0.788	S	S	*	*			trans	-57	112.2	169.2	174.9	0	0	0	0	109	V3	V3-S5 PolarHBondContact O-N 3.2Å
6	M	55.5	Low	45.9	Very low	170 Å²	170	120.6 Å²	120.6	84%	0.837	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75	130.7	162.9	-64.2	-170.7	-176.5	0	0	107.1	T4	T4-M6 PolarHBondContact O-N 3.35Å
7	G	45.9	Very low	45.8	Very low	70 Å²	70	117.2 Å²	117.2	72%	0.722	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63	136.1	-171.5	0	0	0	0	0	112.2
8	L	43.3	Very low	46.3	Very low	149 Å²	149	114.2 Å²	114.2	78%	0.78	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-58.2	131.1	168.1	-67.6	163.6	0	0	0	109	Y54	L8-Y54 HydrophobicContact CD2-CE2 4.17Å
9	P	54.4	Low	47.6	Very low	90 Å²	90	109.8 Å²	109.8	58%	0.584	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.3	152.6	165	27.8	-31.8	0	0	0	109.4	F11 Y54	P9-F11 PolarHBondContact O-N 3.24Å; P9-Y54 PolarHBondContact O-OH 3.39Å
10	A	47.8	Very low	49.5	Very low	101 Å²	101	105.6 Å²	105.6	84%	0.835	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-64	122.1	-178.1	0	0	0	0	0	110.8	N12	A10-N12 PolarHBondContact O-N 3.14Å; A10-N12 VanDerWaalsContact O-N 3.12Å
11	F	42.9	Very low	51.2	Low	139 Å²	139	103.7 Å²	103.7	61%	0.61	72%	0.718	S	S	*	*			trans	-69.1	106.9	178.7	-163.5	-90.3	0	0	0	109.5	P9 G13 Y54	P9-F11 PolarHBondContact O-N 3.24Å; F11-G13 PolarHBondContact O-N 3.02Å; F11-Y54 HydrophobicContact CD2-CE1 4.43Å; F11-Y54 HydrophobicContact CD2-CE2 4.44Å; F11-Y54 AromaticContact CD2-CZ 4Å
12	N	48.6	Very low	53	Low	164 Å²	164	100.2 Å²	100.2	88%	0.877	70%	0.704	S	S	*	*			trans	-77.5	71	177.7	-166.5	32.4	0	0	0	110.1	A10 G14	A10-N12 PolarHBondContact O-N 3.14Å; A10-N12 VanDerWaalsContact O-N 3.12Å; N12-G14 PolarHBondContact O-N 3.45Å
13	G	40.7	Very low	55.1	Low	64 Å²	64	100.5 Å²	100.5	66%	0.66	69%	0.693	S	S	*	*			trans	-71.6	84.3	-174	0	0	0	0	0	113.2	F11	F11-G13 PolarHBondContact O-N 3.02Å
14	G	43.1	Very low	57.4	Low	71 Å²	71	94.2 Å²	94.2	73%	0.732	65%	0.654	S	S	*	*			trans	-117.8	147.8	167.8	0	0	0	0	0	111.4	N12	N12-G14 PolarHBondContact O-N 3.45Å
15	G	40.6	Very low	59.5	Low	75 Å²	75	92 Å²	92	77%	0.773	64%	0.637	S	S	*	*			trans	94.3	57.6	172.7	0	0	0	0	0	115.6	G17	G15-G17 PolarHBondContact O-N 3.2Å
16	G	40.7	Very low	61.8	Low	99 Å²	99	89.5 Å²	89.5	100%	1.021	62%	0.617	S	S	*	*			trans	-73.9	72.3	162.8	0	0	0	0	0	111.7
17	G	44.6	Very low	63.5	Low	62 Å²	62	82.8 Å²	82.8	64%	0.639	58%	0.583	S	S	*	*	S	Bend	trans	-166.5	146.7	179.2	0	0	0	0	0	110.7	G15 G19	G15-G17 PolarHBondContact O-N 3.2Å; G17-G19 PolarHBondContact O-N 3.13Å
18	G	55.1	Low	65.5	Low	63 Å²	63	86.5 Å²	86.5	65%	0.649	58%	0.581	S	S	*	*	S	Bend	trans	-64.6	120.1	-174.8	0	0	0	0	0	112.2
19	G	71.1	Confident	67.8	Low	31 Å²	31	86.5 Å²	86.5	32%	0.32	58%	0.577	S	S	.	*	S	Bend	trans	162.7	168.9	-179.8	0	0	0	0	0	112.2	G17 F149	G17-G19 PolarHBondContact O-N 3.13Å; G19-F149 CarbonylContact C-O 3.6Å; G19-F149 WeakPolarHBondContact CA-O 3.34Å; G19-F149 PolarHBondContact N-O 2.99Å
20	C	85.5	Confident	69.6	Low	26 Å²	26	83.9 Å²	83.9	18%	0.176	56%	0.558	C	S	.	*			trans	-84.8	154.6	167.8	-44.3	0	0	0	0	110.4	W24 V26 C33 F149	C20-W24 HydrophobicContact CB-CB 3.81Å; C20-V26 HydrophobicContact CB-CG2 3.92Å; C20-C33 HydrophobicContact CB-CB 3.87Å; C20-C33 WeakPolarHBondContact CB-SG 3.25Å; C20-C33 WeakPolarHBondContact SG-CB 3.33Å; C20-C33 CovalentContact SG-SG 2.03Å; C20-C33 PolarHBondContact SG-SG 2.93Å; C20-F149 VanDerWaalsContact SG-CD2 3.58Å
21	S	84.7	Confident	71.8	Confident	66 Å²	66	82.3 Å²	82.3	46%	0.462	54%	0.535	S	S	.	.			trans	-79.7	155.1	167.2	177.3	0	0	0	0	110.2	E23 W24	S21-E23 PolarHBondContact O-N 3.13Å; S21-W24 VanDerWaalsContact O-CB 3.32Å; S21-W24 WeakPolarHBondContact O-CB 3.36Å; S21-W24 PolarHBondContact O-N 2.89Å
22	D	84.3	Confident	74.2	Confident	169 Å²	169	76.9 Å²	76.9	90%	0.904	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-25.3	-173.8	-57.6	-16.8	0	0	0	115.1	W24	D22-W24 PolarHBondContact O-N 3.4Å
23	E	89	Confident	76.4	Confident	132 Å²	132	69.1 Å²	69.1	62%	0.617	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.9	175.4	-58.6	-173.7	153.2	0	0	114.6	S21 R35	S21-E23 PolarHBondContact O-N 3.13Å; E23-R35 WeakPolarHBondContact O-CD 3.37Å; E23-R35 WeakPolarHBondContact O-CG 3.45Å; E23-R35 IonicContact OE2-CZ 3.68Å; E23-R35 IonicContact OE2-NH1 3.69Å; E23-R35 PolarHBondContact OE2-NH1 3.45Å
24	W	94	Very high	79.1	Confident	11 Å²	11	66 Å²	66	4%	0.042	44%	0.438	C	S	.	.	S	Bend	trans	-112	134.8	-171.1	-68.1	69.6	0	0	0	111.4	C20 S21 D22 V26 C33 R35 D55 C145 K147	C20-W24 HydrophobicContact CB-CB 3.81Å; S21-W24 VanDerWaalsContact O-CB 3.32Å; S21-W24 WeakPolarHBondContact O-CB 3.36Å; S21-W24 PolarHBondContact O-N 2.89Å; D22-W24 PolarHBondContact O-N 3.4Å; W24-V26 PolarHBondContact O-N 2.94Å; W24-C33 HydrophobicContact CB-CB 4.19Å; W24-C33 HydrophobicContact CD2-CB 4.24Å; W24-C33 HydrophobicContact CE3-CB 3.6Å; W24-C33 HydrophobicContact CZ3-CB 4.4Å; W24-R35 HydrophobicContact CD2-CB 3.69Å; W24-R35 HydrophobicContact CE3-CB 3.72Å; W24-R35 HydrophobicContact CG-CB 4.19Å; W24-R35 HydrophobicContact CH2-CB 4.16Å; W24-R35 HydrophobicContact CZ2-CB 4.13Å; W24-R35 HydrophobicContact CZ3-CB 3.97Å; W24-D55 HydrophobicContact CZ2-CB 3.94Å; W24-C145 HydrophobicContact CH2-CB 3.63Å; W24-C145 HydrophobicContact CZ3-CB 4.01Å; W24-K147 HydrophobicContact CE3-CG 4.08Å; W24-K147 HydrophobicContact CH2-CD 4.22Å; W24-K147 HydrophobicContact CH2-CG 4.21Å; W24-K147 HydrophobicContact CZ2-CD 4.39Å; W24-K147 HydrophobicContact CZ3-CD 4.28Å; W24-K147 HydrophobicContact CZ3-CG 3.82Å
25	I	93.6	Very high	81.6	Confident	65 Å²	65	63.7 Å²	63.7	33%	0.333	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.4	175.3	-52	-179	0	0	0	109	F27 C33 Y34 S74 F75	I25-F27 HydrophobicContact CB-CE2 4.16Å; I25-F27 HydrophobicContact CG2-CD2 4.23Å; I25-F27 HydrophobicContact CG2-CE2 3.46Å; I25-F27 VanDerWaalsContact CG2-CE2 3.46Å; I25-F27 HydrophobicContact CG2-CZ 3.85Å; I25-C33 WeakPolarHBondContact O-CA 3.5Å; I25-Y34 PolarHBondContact N-O 3.29Å; I25-Y34 PolarHBondContact O-N 3.33Å; I25-S74 WeakPolarHBondContact CD1-OG 3.34Å; I25-F75 HydrophobicContact CD1-CD1 4.41Å; I25-F75 HydrophobicContact CD1-CE1 3.57Å; I25-F75 HydrophobicContact CD1-CZ 3.71Å; I25-F75 HydrophobicContact CG1-CZ 4.39Å
26	V	92.7	Very high	84.2	Confident	62 Å²	62	61.6 Å²	61.6	38%	0.376	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.6	-175.2	-168	0	0	0	0	110.8	C20 W24 E28 F149	C20-V26 HydrophobicContact CB-CG2 3.92Å; W24-V26 PolarHBondContact O-N 2.94Å; V26-E28 HydrophobicContact CG1-CG 3.73Å; V26-F149 HydrophobicContact CG1-CD2 3.7Å; V26-F149 HydrophobicContact CG1-CE2 3.6Å
27	F	91.9	Very high	86.7	Confident	29 Å²	29	59.9 Å²	59.9	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	82.3	167.8	-65.7	-89.4	0	0	0	109.2	I25 H29 L30 N31 R32 Y34 A70 S74	I25-F27 HydrophobicContact CB-CE2 4.16Å; I25-F27 HydrophobicContact CG2-CD2 4.23Å; I25-F27 HydrophobicContact CG2-CE2 3.46Å; I25-F27 VanDerWaalsContact CG2-CE2 3.46Å; I25-F27 HydrophobicContact CG2-CZ 3.85Å; F27-H29 VanDerWaalsContact C-N 3.29Å; F27-H29 AromaticContact CD1-CE1 3.96Å; F27-H29 PolarHBondContact O-N 3.28Å; F27-L30 HydrophobicContact CB-CB 4.01Å; F27-L30 HydrophobicContact CB-CD1 3.79Å; F27-L30 HydrophobicContact CB-CG 4Å; F27-L30 HydrophobicContact CD1-CD1 4.35Å; F27-L30 HydrophobicContact CG-CD1 4.16Å; F27-L30 CarbonylContact O-C 3.52Å; F27-L30 WeakPolarHBondContact O-CA 3.23Å; F27-L30 PolarHBondContact O-N 2.95Å; F27-N31 PolarHBondContact O-N 3.49Å; F27-R32 PolarHBondContact N-O 2.93Å; F27-R32 PolarHBondContact O-N 3.39Å; F27-Y34 AromaticContact CD2-CD2 3.79Å; F27-Y34 HydrophobicContact CD2-CD2 3.79Å; F27-Y34 HydrophobicContact CD2-CE2 4.3Å; F27-Y34 HydrophobicContact CE2-CD2 4.09Å; F27-A70 HydrophobicContact CD1-CB 3.64Å; F27-A70 HydrophobicContact CD2-CB 4.26Å; F27-A70 HydrophobicContact CE1-CB 3.34Å; F27-A70 HydrophobicContact CE2-CB 3.98Å; F27-A70 HydrophobicContact CG-CB 4.09Å; F27-A70 HydrophobicContact CZ-CB 3.52Å; F27-S74 WeakPolarHBondContact CZ-OG 3.44Å
28	E	87.4	Confident	88.7	Confident	148 Å²	148	58.1 Å²	58.1	69%	0.692	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.2	-43.7	-177.1	-58.8	-178.9	167.4	0	0	111.9	V26 L30 N31	V26-E28 HydrophobicContact CG1-CG 3.73Å; E28-L30 PolarHBondContact O-N 3.16Å; E28-L30 VanDerWaalsContact O-N 3.09Å; E28-N31 PolarHBondContact O-N 3.39Å
29	H	90.9	Very high	88.9	Confident	150 Å²	150	59.2 Å²	59.2	69%	0.694	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-66.5	-8.5	177.2	70.6	-94.1	0	0	0	114.3	F27	F27-H29 VanDerWaalsContact C-N 3.29Å; F27-H29 AromaticContact CD1-CE1 3.96Å; F27-H29 PolarHBondContact O-N 3.28Å
30	L	92.5	Very high	88.6	Confident	35 Å²	35	67.3 Å²	67.3	18%	0.183	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-109.3	-0.4	171.6	-55.3	178.1	0	0	0	112.4	F27 E28 R32 Q67 A70	F27-L30 HydrophobicContact CB-CB 4.01Å; F27-L30 HydrophobicContact CB-CD1 3.79Å; F27-L30 HydrophobicContact CB-CG 4Å; F27-L30 HydrophobicContact CD1-CD1 4.35Å; F27-L30 HydrophobicContact CG-CD1 4.16Å; F27-L30 CarbonylContact O-C 3.52Å; F27-L30 WeakPolarHBondContact O-CA 3.23Å; F27-L30 PolarHBondContact O-N 2.95Å; E28-L30 PolarHBondContact O-N 3.16Å; E28-L30 VanDerWaalsContact O-N 3.09Å; L30-R32 HydrophobicContact CB-CB 4.23Å; L30-R32 WeakPolarHBondContact O-CD 3.09Å; L30-R32 VanDerWaalsContact O-CG 3.31Å; L30-R32 WeakPolarHBondContact O-CG 3.49Å; L30-R32 PolarHBondContact O-N 2.92Å; L30-Q67 HydrophobicContact CD1-CB 4.49Å; L30-Q67 HydrophobicContact CD1-CG 3.93Å; L30-Q67 HydrophobicContact CD2-CG 4.43Å; L30-A70 HydrophobicContact CD1-CB 3.91Å
31	N	93.4	Very high	87.7	Confident	67 Å²	67	67.1 Å²	67.1	36%	0.358	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.1	-168.5	-166.1	40	0	0	0	113.2	F27 E28 N148 F149 D150	F27-N31 PolarHBondContact O-N 3.49Å; E28-N31 PolarHBondContact O-N 3.39Å; N31-N148 WeakPolarHBondContact O-CA 3.4Å; N31-F149 PolarHBondContact O-N 2.79Å; N31-D150 PolarHBondContact ND2-OD2 3.02Å
32	R	94.1	Very high	87.4	Confident	26 Å²	26	69.8 Å²	69.8	10%	0.098	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.6	-167.8	-79.4	164.4	177.2	-97.2	-5.4	114.4	F27 L30 Y34 E146 K147	F27-R32 PolarHBondContact N-O 2.93Å; F27-R32 PolarHBondContact O-N 3.39Å; L30-R32 HydrophobicContact CB-CB 4.23Å; L30-R32 WeakPolarHBondContact O-CD 3.09Å; L30-R32 VanDerWaalsContact O-CG 3.31Å; L30-R32 WeakPolarHBondContact O-CG 3.49Å; L30-R32 PolarHBondContact O-N 2.92Å; R32-Y34 HydrophobicContact CB-CE2 4Å; R32-E146 IonicContact CZ-OE1 3.91Å; R32-E146 IonicContact NH1-OE1 3.68Å; R32-E146 PolarHBondContact NH1-OE1 2.97Å; R32-E146 IonicContact NH1-OE2 2.81Å; R32-E146 PolarHBondContact NH1-OE2 3.27Å; R32-E146 IonicContact NH2-OE1 3.98Å; R32-K147 CarbonylContact C-O 3.59Å; R32-K147 WeakPolarHBondContact CA-O 3.39Å
33	C	95.5	Very high	87.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.9	168.3	-46.3	0	0	0	0	109.2	C20 W24 I25 E146 K147	C20-C33 HydrophobicContact CB-CB 3.87Å; C20-C33 WeakPolarHBondContact CB-SG 3.25Å; C20-C33 WeakPolarHBondContact SG-CB 3.33Å; C20-C33 CovalentContact SG-SG 2.03Å; C20-C33 PolarHBondContact SG-SG 2.93Å; W24-C33 HydrophobicContact CB-CB 4.19Å; W24-C33 HydrophobicContact CD2-CB 4.24Å; W24-C33 HydrophobicContact CE3-CB 3.6Å; W24-C33 HydrophobicContact CZ3-CB 4.4Å; I25-C33 WeakPolarHBondContact O-CA 3.5Å; C33-E146 WeakPolarHBondContact O-CA 3.49Å; C33-K147 HydrophobicContact CB-CG 3.75Å; C33-K147 PolarHBondContact N-O 3.47Å; C33-K147 PolarHBondContact O-N 2.75Å
34	Y	96.4	Very high	88.2	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.1	168.5	-64.2	-83.2	0	0	0	111.8	I25 F27 R32 A60 Q67 V71 I144 C145 E146	I25-Y34 PolarHBondContact N-O 3.29Å; I25-Y34 PolarHBondContact O-N 3.33Å; F27-Y34 AromaticContact CD2-CD2 3.79Å; F27-Y34 HydrophobicContact CD2-CD2 3.79Å; F27-Y34 HydrophobicContact CD2-CE2 4.3Å; F27-Y34 HydrophobicContact CE2-CD2 4.09Å; R32-Y34 HydrophobicContact CB-CE2 4Å; Y34-A60 HydrophobicContact CD1-CB 4.17Å; Y34-A60 HydrophobicContact CE1-CB 4Å; Y34-Q67 WeakPolarHBondContact OH-CG 3.43Å; Y34-Q67 PolarHBondContact OH-OE1 3.33Å; Y34-V71 HydrophobicContact CD1-CG2 4.12Å; Y34-V71 HydrophobicContact CE1-CG2 4.09Å; Y34-V71 HydrophobicContact CE2-CG2 4.5Å; Y34-V71 HydrophobicContact CG-CG2 4.33Å; Y34-I144 HydrophobicContact CD1-CG2 4.12Å; Y34-C145 WeakPolarHBondContact CA-O 3.28Å; Y34-E146 HydrophobicContact CD1-CB 3.68Å; Y34-E146 HydrophobicContact CE1-CB 3.49Å; Y34-E146 VanDerWaalsContact CE1-CB 3.49Å
35	R	95.3	Very high	88.3	Confident	22 Å²	22	57.5 Å²	57.5	8%	0.083	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.7	170.7	-168.8	178.5	78.9	-155.3	-11.4	109.5	E23 W24 D55 I144 C145	E23-R35 WeakPolarHBondContact O-CD 3.37Å; E23-R35 WeakPolarHBondContact O-CG 3.45Å; E23-R35 IonicContact OE2-CZ 3.68Å; E23-R35 IonicContact OE2-NH1 3.69Å; E23-R35 PolarHBondContact OE2-NH1 3.45Å; W24-R35 HydrophobicContact CD2-CB 3.69Å; W24-R35 HydrophobicContact CE3-CB 3.72Å; W24-R35 HydrophobicContact CG-CB 4.19Å; W24-R35 HydrophobicContact CH2-CB 4.16Å; W24-R35 HydrophobicContact CZ2-CB 4.13Å; W24-R35 HydrophobicContact CZ3-CB 3.97Å; R35-D55 IonicContact CZ-OD1 2.7Å; R35-D55 IonicContact CZ-OD2 2.88Å; R35-D55 IonicContact NH1-OD1 2.89Å; R35-D55 PolarHBondContact NH1-OD1 3.39Å; R35-D55 IonicContact NH1-OD2 2.82Å; R35-D55 IonicContact NH2-OD1 3.17Å; R35-D55 PolarHBondContact NH2-OD1 3.23Å; R35-D55 VanDerWaalsContact NH2-OD1 3.12Å; R35-D55 IonicContact NH2-OD2 3.81Å; R35-D55 PolarHBondContact NH2-OD2 3.03Å; R35-I144 CarbonylContact O-C 3.59Å; R35-I144 WeakPolarHBondContact O-CA 3.21Å; R35-C145 PolarHBondContact N-O 2.77Å; R35-C145 VanDerWaalsContact N-O 3.12Å; R35-C145 PolarHBondContact O-N 2.86Å
36	M	94.7	Very high	88.4	Confident	31 Å²	31	54.7 Å²	54.7	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141	171.1	168.4	179.2	-91.4	0	0	109.7	S38 F75 E80 P82 F125 F143 I144	M36-S38 VanDerWaalsContact CG-OG 3.23Å; M36-S38 WeakPolarHBondContact CG-OG 3.4Å; M36-S38 PolarHBondContact SD-OG 3.47Å; M36-S38 VanDerWaalsContact SD-OG 3.36Å; M36-F75 HydrophobicContact CB-CD1 3.51Å; M36-F75 HydrophobicContact CB-CE1 3.45Å; M36-F75 VanDerWaalsContact CB-CE1 3.45Å; M36-F75 HydrophobicContact CB-CG 4.17Å; M36-F75 HydrophobicContact CB-CZ 4.07Å; M36-F75 HydrophobicContact CE-CB 3.74Å; M36-F75 HydrophobicContact CE-CD1 4.42Å; M36-F75 HydrophobicContact CE-CG 4.17Å; M36-F75 HydrophobicContact CG-CD1 4.36Å; M36-F75 HydrophobicContact SD-CB 4.2Å; M36-F75 HydrophobicContact SD-CD1 4.02Å; M36-F75 HydrophobicContact SD-CG 4.35Å; M36-E80 HydrophobicContact CE-CB 4.24Å; M36-P82 HydrophobicContact CE-CB 3.92Å; M36-P82 HydrophobicContact CE-CG 3.64Å; M36-F125 HydrophobicContact CE-CE2 3.88Å; M36-F143 WeakPolarHBondContact CA-O 3.33Å; M36-I144 HydrophobicContact CB-CG1 4.25Å; M36-I144 HydrophobicContact CE-CD1 4.28Å; M36-I144 HydrophobicContact CE-CG1 4.07Å
37	E	93.6	Very high	88.5	Confident	62 Å²	62	55 Å²	55	29%	0.29	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.4	172.1	-173.8	57.7	-105.6	0	0	110.1	F43 A142 F143	E37-F43 HydrophobicContact CG-CE2 4.34Å; E37-A142 WeakPolarHBondContact O-CA 3.48Å; E37-A142 WeakPolarHBondContact O-CB 3.28Å; E37-F143 HydrophobicContact CB-CD1 4.11Å; E37-F143 HydrophobicContact CB-CD2 4.48Å; E37-F143 HydrophobicContact CB-CE1 3.56Å; E37-F143 HydrophobicContact CB-CE2 3.99Å; E37-F143 HydrophobicContact CB-CZ 3.49Å; E37-F143 VanDerWaalsContact CB-CZ 3.49Å; E37-F143 HydrophobicContact CG-CE1 3.71Å; E37-F143 HydrophobicContact CG-CZ 3.76Å; E37-F143 PolarHBondContact N-O 2.91Å; E37-F143 PolarHBondContact O-N 3.49Å; E37-F143 VanDerWaalsContact O-N 3.07Å
38	S	86.7	Confident	88.7	Confident	25 Å²	25	53.7 Å²	53.7	18%	0.175	27%	0.267	C	S	.	.			trans	-151.8	159.7	-159	-69.3	0	0	0	0	114.8	M36 K40	M36-S38 VanDerWaalsContact CG-OG 3.23Å; M36-S38 WeakPolarHBondContact CG-OG 3.4Å; M36-S38 PolarHBondContact SD-OG 3.47Å; M36-S38 VanDerWaalsContact SD-OG 3.36Å; S38-K40 VanDerWaalsContact C-N 3.26Å; S38-K40 PolarHBondContact O-N 3.2Å
39	S	60.8	Low	89.2	Confident	87 Å²	87	46.7 Å²	46.7	61%	0.608	24%	0.235	S	C	*	.	S	Bend	trans	61.3	-39.3	167.5	75.6	0	0	0	0	120.3	E80	S39-E80 PolarHBondContact N-OE1 3.27Å
40	K	63.9	Low	89.5	Confident	201 Å²	201	44.7 Å²	44.7	87%	0.874	23%	0.226	S	C	*	.	S	Bend	trans	-93.7	-38.7	-171.4	-71.2	178.3	-177.1	168.9	0	113.6	S38	S38-K40 VanDerWaalsContact C-N 3.26Å; S38-K40 PolarHBondContact O-N 3.2Å
41	G	66.3	Low	89.6	Confident	22 Å²	22	46.2 Å²	46.2	23%	0.227	23%	0.232	C	C	.	.	S	Bend	trans	-110.8	131.7	157.7	0	0	0	0	0	108.1	F43	G41-F43 VanDerWaalsContact C-CE2 3.49Å; G41-F43 VanDerWaalsContact O-CD2 3.26Å; G41-F43 WeakPolarHBondContact O-CD2 3.34Å; G41-F43 VanDerWaalsContact O-CE2 3.26Å; G41-F43 WeakPolarHBondContact O-CE2 3.36Å
42	Q	78.6	Confident	89.7	Confident	122 Å²	122	43 Å²	43	57%	0.57	22%	0.215	S	C	*	.			trans	-100	124.6	160.6	-60	-179.1	-2.4	0	0	106.9	K140	Q42-K140 HydrophobicContact CB-CB 3.65Å; Q42-K140 VanDerWaalsContact O-CD 3.3Å; Q42-K140 WeakPolarHBondContact O-CD 3.49Å; Q42-K140 WeakPolarHBondContact O-CG 3.45Å; Q42-K140 PolarHBondContact O-NZ 3.37Å
43	F	93.9	Very high	89.8	Confident	45 Å²	45	44.4 Å²	44.4	20%	0.197	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-113.6	141.9	-167.1	-62.5	-90.2	0	0	0	110.9	E37 G41 E47 A48 W83 K140 R141 F143	E37-F43 HydrophobicContact CG-CE2 4.34Å; G41-F43 VanDerWaalsContact C-CE2 3.49Å; G41-F43 VanDerWaalsContact O-CD2 3.26Å; G41-F43 WeakPolarHBondContact O-CD2 3.34Å; G41-F43 VanDerWaalsContact O-CE2 3.26Å; G41-F43 WeakPolarHBondContact O-CE2 3.36Å; F43-E47 WeakPolarHBondContact CA-OE2 3.29Å; F43-E47 HydrophobicContact CB-CB 4.09Å; F43-E47 HydrophobicContact CD1-CB 3.92Å; F43-A48 HydrophobicContact CB-CB 4.13Å; F43-W83 PolarHBondContact O-NE1 2.91Å; F43-K140 WeakPolarHBondContact O-CA 3.44Å; F43-R141 PolarHBondContact N-O 3.46Å; F43-R141 PolarHBondContact O-N 3.45Å; F43-F143 HydrophobicContact CB-CD1 4.26Å; F43-F143 HydrophobicContact CB-CE1 4.33Å; F43-F143 AromaticContact CD2-CD1 3.88Å; F43-F143 HydrophobicContact CD2-CD1 3.88Å; F43-F143 AromaticContact CD2-CE1 3.41Å; F43-F143 HydrophobicContact CD2-CE1 3.41Å; F43-F143 VanDerWaalsContact CD2-CE1 3.41Å; F43-F143 AromaticContact CE2-CE1 3.72Å; F43-F143 HydrophobicContact CE2-CE1 3.72Å; F43-F143 HydrophobicContact CG-CD1 4.31Å; F43-F143 AromaticContact CG-CE1 3.91Å; F43-F143 HydrophobicContact CG-CE1 3.91Å; F43-F143 HydrophobicContact CZ-CE1 4.47Å
44	T	95.5	Very high	89.7	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	24%	0.241	C	C	.	.			trans	-65.5	161.9	163.8	69.9	0	0	0	0	108.8	T46 E47 A48 C137 W138 S139 K140	T44-T46 PolarHBondContact O-N 2.94Å; T44-T46 PolarHBondContact OG1-OG1 3.47Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.31Å; T44-E47 PolarHBondContact N-OE2 3.46Å; T44-E47 PolarHBondContact O-N 3.04Å; T44-E47 VanDerWaalsContact OG1-CG 3.29Å; T44-E47 WeakPolarHBondContact OG1-CG 3.37Å; T44-E47 PolarHBondContact OG1-N 2.84Å; T44-E47 PolarHBondContact OG1-OE2 2.91Å; T44-A48 VanDerWaalsContact O-CB 3.3Å; T44-A48 WeakPolarHBondContact O-CB 3.24Å; T44-A48 PolarHBondContact O-N 3.44Å; T44-C137 WeakPolarHBondContact CB-O 3.16Å; T44-W138 HydrophobicContact CG2-CE3 4.25Å; T44-S139 WeakPolarHBondContact CA-O 3.45Å; T44-K140 HydrophobicContact CG2-CG 4.02Å
45	W	96.4	Very high	89.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-33.9	179.2	-168.5	97.2	0	0	0	111.9	Q49 L59 W83 I84 V87 I98 C120 C137 V158 P159 I162	W45-Q49 HydrophobicContact CE3-CB 4.47Å; W45-Q49 HydrophobicContact CZ3-CB 4.21Å; W45-Q49 PolarHBondContact O-N 2.87Å; W45-L59 HydrophobicContact CD2-CD1 3.81Å; W45-L59 VanDerWaalsContact CE2-CD1 3.49Å; W45-L59 HydrophobicContact CE3-CD1 4.36Å; W45-L59 HydrophobicContact CG-CD1 4.15Å; W45-L59 HydrophobicContact CH2-CD1 4.4Å; W45-L59 HydrophobicContact CZ2-CD1 3.85Å; W45-W83 HydrophobicContact CB-CD2 4.23Å; W45-W83 HydrophobicContact CB-CG 4.4Å; W45-W83 AromaticContact CD1-CD2 3.87Å; W45-W83 AromaticContact CD1-CE3 3.93Å; W45-W83 AromaticContact CD1-CG 3.93Å; W45-W83 HydrophobicContact CG-CD2 4.49Å; W45-I84 PolarHBondContact NE1-O 2.9Å; W45-V87 HydrophobicContact CH2-CG2 3.89Å; W45-V87 HydrophobicContact CZ2-CG2 3.62Å; W45-V87 HydrophobicContact CZ3-CG2 4.47Å; W45-I98 HydrophobicContact CH2-CB 4.26Å; W45-I98 HydrophobicContact CH2-CD1 4.14Å; W45-I98 HydrophobicContact CH2-CG1 4.46Å; W45-I98 HydrophobicContact CZ2-CB 4.49Å; W45-C120 HydrophobicContact CB-CB 3.95Å; W45-C120 VanDerWaalsContact CB-SG 3.53Å; W45-C120 VanDerWaalsContact CD1-CB 3.47Å; W45-C120 HydrophobicContact CG-CB 3.74Å; W45-C137 HydrophobicContact CB-CB 4.3Å; W45-C137 PolarHBondContact N-O 2.87Å; W45-V158 HydrophobicContact CZ3-CG1 4.29Å; W45-P159 HydrophobicContact CH2-CG 4.27Å; W45-P159 HydrophobicContact CZ3-CG 4.46Å; W45-I162 HydrophobicContact CD2-CD1 4.2Å; W45-I162 HydrophobicContact CE3-CD1 3.4Å; W45-I162 VanDerWaalsContact CE3-CD1 3.4Å; W45-I162 HydrophobicContact CH2-CD1 4.16Å; W45-I162 HydrophobicContact CZ3-CD1 3.41Å; W45-I162 VanDerWaalsContact CZ3-CD1 3.41Å
46	T	96	Very high	89.4	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-73.5	-42.2	-180	67.2	0	0	0	0	112.4	T44 A48 Q50 V158 I162 Y163	T44-T46 PolarHBondContact O-N 2.94Å; T44-T46 PolarHBondContact OG1-OG1 3.47Å; T46-A48 VanDerWaalsContact C-N 3.34Å; T46-Q50 VanDerWaalsContact O-CG 3.27Å; T46-Q50 WeakPolarHBondContact O-CG 3.44Å; T46-Q50 PolarHBondContact O-N 2.92Å; T46-Q50 VanDerWaalsContact O-N 3.12Å; T46-V158 HydrophobicContact CG2-CG1 3.63Å; T46-I162 HydrophobicContact CG2-CB 4.34Å; T46-I162 HydrophobicContact CG2-CD1 4.49Å; T46-I162 HydrophobicContact CG2-CG2 3.64Å; T46-Y163 HydrophobicContact CG2-CE1 4.3Å
47	E	95.3	Very high	89.5	Confident	69 Å²	69	53 Å²	53	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-41.5	172.2	-67.1	167.2	147.4	0	0	110.9	F43 T44 Q50 H51 K140	F43-E47 WeakPolarHBondContact CA-OE2 3.29Å; F43-E47 HydrophobicContact CB-CB 4.09Å; F43-E47 HydrophobicContact CD1-CB 3.92Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.31Å; T44-E47 PolarHBondContact N-OE2 3.46Å; T44-E47 PolarHBondContact O-N 3.04Å; T44-E47 VanDerWaalsContact OG1-CG 3.29Å; T44-E47 WeakPolarHBondContact OG1-CG 3.37Å; T44-E47 PolarHBondContact OG1-N 2.84Å; T44-E47 PolarHBondContact OG1-OE2 2.91Å; E47-Q50 WeakPolarHBondContact O-CB 3.32Å; E47-Q50 PolarHBondContact O-N 3.3Å; E47-H51 PolarHBondContact O-N 3.24Å; E47-K140 VanDerWaalsContact CD-NZ 3.32Å; E47-K140 IonicContact OE1-NZ 2.78Å; E47-K140 PolarHBondContact OE1-NZ 3.43Å; E47-K140 VanDerWaalsContact OE1-NZ 3.13Å; E47-K140 IonicContact OE2-NZ 3.82Å; E47-K140 PolarHBondContact OE2-NZ 3.49Å
48	A	96.6	Very high	89.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-44	-179.7	0	0	0	0	0	112.6	F43 T44 T46 H51 C52 L59 F143	F43-A48 HydrophobicContact CB-CB 4.13Å; T44-A48 VanDerWaalsContact O-CB 3.3Å; T44-A48 WeakPolarHBondContact O-CB 3.24Å; T44-A48 PolarHBondContact O-N 3.44Å; T46-A48 VanDerWaalsContact C-N 3.34Å; A48-H51 PolarHBondContact O-N 2.89Å; A48-C52 PolarHBondContact O-N 3.5Å; A48-C52 PolarHBondContact O-SG 2.94Å; A48-L59 HydrophobicContact CB-CD1 4.46Å; A48-L59 HydrophobicContact CB-CD2 4.02Å; A48-F143 HydrophobicContact CB-CB 3.75Å; A48-F143 HydrophobicContact CB-CD1 3.74Å; A48-F143 HydrophobicContact CB-CD2 4.05Å; A48-F143 HydrophobicContact CB-CE1 4.33Å; A48-F143 HydrophobicContact CB-CG 3.6Å
49	Q	97.3	Very high	90.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-39.1	173.1	176.4	58.1	19.4	0	0	112	W45 H51 C52 V53 N58 L59 I98 Y156 V158	W45-Q49 HydrophobicContact CE3-CB 4.47Å; W45-Q49 HydrophobicContact CZ3-CB 4.21Å; W45-Q49 PolarHBondContact O-N 2.87Å; Q49-H51 VanDerWaalsContact C-N 3.27Å; Q49-H51 PolarHBondContact O-N 3.41Å; Q49-C52 PolarHBondContact O-N 2.87Å; Q49-V53 HydrophobicContact CG-CG2 4.42Å; Q49-V53 VanDerWaalsContact O-CG2 3.24Å; Q49-V53 WeakPolarHBondContact O-CG2 3.41Å; Q49-V53 PolarHBondContact O-N 3.36Å; Q49-N58 PolarHBondContact NE2-OD1 2.86Å; Q49-L59 HydrophobicContact CB-CD1 3.85Å; Q49-L59 HydrophobicContact CB-CG 4.16Å; Q49-I98 HydrophobicContact CG-CD1 4.12Å; Q49-I98 HydrophobicContact CG-CG1 4.35Å; Q49-Y156 PolarHBondContact NE2-O 2.99Å; Q49-V158 HydrophobicContact CB-CG2 4.1Å; Q49-V158 HydrophobicContact CG-CG2 4.05Å
50	Q	95.8	Very high	92	Very high	109 Å²	109	45 Å²	45	51%	0.509	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-38.5	174.5	-72.4	169.8	1.8	0	0	111.7	T46 E47 V53 Y54 V158	T46-Q50 VanDerWaalsContact O-CG 3.27Å; T46-Q50 WeakPolarHBondContact O-CG 3.44Å; T46-Q50 PolarHBondContact O-N 2.92Å; T46-Q50 VanDerWaalsContact O-N 3.12Å; E47-Q50 WeakPolarHBondContact O-CB 3.32Å; E47-Q50 PolarHBondContact O-N 3.3Å; Q50-V53 PolarHBondContact O-N 2.93Å; Q50-Y54 PolarHBondContact O-N 2.87Å; Q50-Y54 VanDerWaalsContact O-N 3.13Å; Q50-V158 HydrophobicContact CG-CG2 4.31Å
51	H	94.7	Very high	93.5	Very high	66 Å²	66	35.4 Å²	35.4	31%	0.306	17%	0.174	S	C	.	.	H	α-helix	trans	-67.6	-42.5	176.1	-153.5	-47.1	0	0	0	112.4	E47 A48 Q49 V53 Y54 D55 F143	E47-H51 PolarHBondContact O-N 3.24Å; A48-H51 PolarHBondContact O-N 2.89Å; Q49-H51 VanDerWaalsContact C-N 3.27Å; Q49-H51 PolarHBondContact O-N 3.41Å; H51-V53 VanDerWaalsContact C-N 3.33Å; H51-V53 PolarHBondContact O-N 2.93Å; H51-Y54 WeakPolarHBondContact O-CB 3.29Å; H51-Y54 PolarHBondContact O-N 3.27Å; H51-D55 IonicContact CE1-OD2 3.62Å; H51-D55 IonicContact ND1-OD2 3.13Å; H51-D55 PolarHBondContact ND1-OD2 3.29Å; H51-D55 PolarHBondContact O-N 3.49Å; H51-F143 HydrophobicContact CB-CE2 3.99Å; H51-F143 HydrophobicContact CB-CZ 3.62Å; H51-F143 AromaticContact CG-CZ 3.7Å
52	C	96.3	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-40.3	173.3	-62.9	0	0	0	0	112.1	A48 Q49 Y54 D55 Q56 S57 N58 C145	A48-C52 PolarHBondContact O-N 3.5Å; A48-C52 PolarHBondContact O-SG 2.94Å; Q49-C52 PolarHBondContact O-N 2.87Å; C52-Y54 VanDerWaalsContact C-N 3.27Å; C52-Y54 PolarHBondContact O-N 3.49Å; C52-D55 PolarHBondContact O-N 2.96Å; C52-Q56 PolarHBondContact O-N 2.75Å; C52-S57 CarbonylContact C-O 3.58Å; C52-S57 VanDerWaalsContact C-OG 3.27Å; C52-S57 WeakPolarHBondContact CA-OG 3.26Å; C52-S57 WeakPolarHBondContact CB-OG 3.21Å; C52-S57 CarbonylContact O-C 3.36Å; C52-S57 WeakPolarHBondContact O-CA 3.49Å; C52-S57 WeakPolarHBondContact O-CB 3.33Å; C52-S57 PolarHBondContact O-N 2.87Å; C52-S57 PolarHBondContact O-OG 3.47Å; C52-N58 VanDerWaalsContact CB-C 3.47Å; C52-C145 WeakPolarHBondContact CA-SG 3.37Å; C52-C145 HydrophobicContact CB-CB 3.87Å; C52-C145 WeakPolarHBondContact CB-SG 3.28Å; C52-C145 VanDerWaalsContact SG-CA 3.55Å; C52-C145 WeakPolarHBondContact SG-CB 3.27Å; C52-C145 CovalentContact SG-SG 2.04Å; C52-C145 PolarHBondContact SG-SG 2.87Å
53	V	96.5	Very high	95.6	Very high	55 Å²	55	30.8 Å²	30.8	33%	0.333	15%	0.151	S	C	.	.	H	α-helix	trans	-60.6	-36.3	177.4	166.8	0	0	0	0	111.9	Q49 Q50 H51 Q56 S57 P155 Y156	Q49-V53 HydrophobicContact CG-CG2 4.42Å; Q49-V53 VanDerWaalsContact O-CG2 3.24Å; Q49-V53 WeakPolarHBondContact O-CG2 3.41Å; Q49-V53 PolarHBondContact O-N 3.36Å; Q50-V53 PolarHBondContact O-N 2.93Å; H51-V53 VanDerWaalsContact C-N 3.33Å; H51-V53 PolarHBondContact O-N 2.93Å; V53-Q56 PolarHBondContact O-N 3.16Å; V53-Q56 VanDerWaalsContact O-N 3.14Å; V53-S57 PolarHBondContact N-O 3.4Å; V53-P155 HydrophobicContact CB-CB 4.27Å; V53-P155 HydrophobicContact CG1-CB 3.94Å; V53-P155 HydrophobicContact CG2-CB 3.97Å; V53-Y156 VanDerWaalsContact CG2-O 3.3Å; V53-Y156 WeakPolarHBondContact CG2-O 3.41Å
54	Y	93.2	Very high	95.6	Very high	80 Å²	80	30.5 Å²	30.5	31%	0.314	16%	0.155	S	C	.	.	H	α-helix	trans	-61	-41.8	175.6	-177.9	-93.9	0	0	0	112.5	L8 P9 F11 Q50 H51 C52 Q56	L8-Y54 HydrophobicContact CD2-CE2 4.17Å; P9-Y54 PolarHBondContact O-OH 3.39Å; F11-Y54 HydrophobicContact CD2-CE1 4.43Å; F11-Y54 HydrophobicContact CD2-CE2 4.44Å; F11-Y54 AromaticContact CD2-CZ 4Å; Q50-Y54 PolarHBondContact O-N 2.87Å; Q50-Y54 VanDerWaalsContact O-N 3.13Å; H51-Y54 WeakPolarHBondContact O-CB 3.29Å; H51-Y54 PolarHBondContact O-N 3.27Å; C52-Y54 VanDerWaalsContact C-N 3.27Å; C52-Y54 PolarHBondContact O-N 3.49Å; Y54-Q56 PolarHBondContact O-N 2.9Å
55	D	91.4	Very high	95.4	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	17.1	175.1	-68.3	-93	0	0	0	114.3	W24 R35 H51 C52 S57 K147	W24-D55 HydrophobicContact CZ2-CB 3.94Å; R35-D55 IonicContact CZ-OD1 2.7Å; R35-D55 IonicContact CZ-OD2 2.88Å; R35-D55 IonicContact NH1-OD1 2.89Å; R35-D55 PolarHBondContact NH1-OD1 3.39Å; R35-D55 IonicContact NH1-OD2 2.82Å; R35-D55 IonicContact NH2-OD1 3.17Å; R35-D55 PolarHBondContact NH2-OD1 3.23Å; R35-D55 VanDerWaalsContact NH2-OD1 3.12Å; R35-D55 IonicContact NH2-OD2 3.81Å; R35-D55 PolarHBondContact NH2-OD2 3.03Å; H51-D55 IonicContact CE1-OD2 3.62Å; H51-D55 IonicContact ND1-OD2 3.13Å; H51-D55 PolarHBondContact ND1-OD2 3.29Å; H51-D55 PolarHBondContact O-N 3.49Å; C52-D55 PolarHBondContact O-N 2.96Å; D55-S57 VanDerWaalsContact C-N 3.29Å; D55-S57 PolarHBondContact O-N 3.47Å; D55-K147 PolarHBondContact O-NZ 3.35Å
56	Q	94.1	Very high	95.3	Very high	118 Å²	118	37.6 Å²	37.6	55%	0.551	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	39.5	-177.6	-154.5	167.7	10.3	0	0	113.1	C52 V53 Y54 P155	C52-Q56 PolarHBondContact O-N 2.75Å; V53-Q56 PolarHBondContact O-N 3.16Å; V53-Q56 VanDerWaalsContact O-N 3.14Å; Y54-Q56 PolarHBondContact O-N 2.9Å; Q56-P155 HydrophobicContact CG-CG 4.23Å
57	S	95.9	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.			trans	-136.2	-172.9	-172.5	75.9	0	0	0	0	111.7	C52 V53 D55 C145 E146	C52-S57 CarbonylContact C-O 3.58Å; C52-S57 VanDerWaalsContact C-OG 3.27Å; C52-S57 WeakPolarHBondContact CA-OG 3.26Å; C52-S57 WeakPolarHBondContact CB-OG 3.21Å; C52-S57 CarbonylContact O-C 3.36Å; C52-S57 WeakPolarHBondContact O-CA 3.49Å; C52-S57 WeakPolarHBondContact O-CB 3.33Å; C52-S57 PolarHBondContact O-N 2.87Å; C52-S57 PolarHBondContact O-OG 3.47Å; V53-S57 PolarHBondContact N-O 3.4Å; D55-S57 VanDerWaalsContact C-N 3.29Å; D55-S57 PolarHBondContact O-N 3.47Å; S57-C145 WeakPolarHBondContact OG-CB 3.32Å; S57-E146 WeakPolarHBondContact CB-O 3.36Å
58	N	97.9	Very high	95.1	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	163.5	174.3	-66.4	-76.9	0	0	0	111	Q49 C52 A60 I98 C145 E146 I154 Y156	Q49-N58 PolarHBondContact NE2-OD1 2.86Å; C52-N58 VanDerWaalsContact CB-C 3.47Å; N58-A60 PolarHBondContact O-N 3.07Å; N58-I98 HydrophobicContact CB-CG2 4.38Å; N58-C145 CarbonylContact O-C 3.56Å; N58-C145 WeakPolarHBondContact O-CA 3.3Å; N58-E146 PolarHBondContact N-O 2.92Å; N58-E146 VanDerWaalsContact N-O 3.08Å; N58-E146 PolarHBondContact O-N 3.43Å; N58-I154 PolarHBondContact ND2-O 2.88Å; N58-Y156 WeakPolarHBondContact OD1-CD2 3.46Å; N58-Y156 PolarHBondContact OD1-N 3Å
59	L	98.1	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	136.5	163.6	-73.9	174.5	0	0	0	110.8	W45 A48 Q49 W83 G85 I98 F143 I144	W45-L59 HydrophobicContact CD2-CD1 3.81Å; W45-L59 VanDerWaalsContact CE2-CD1 3.49Å; W45-L59 HydrophobicContact CE3-CD1 4.36Å; W45-L59 HydrophobicContact CG-CD1 4.15Å; W45-L59 HydrophobicContact CH2-CD1 4.4Å; W45-L59 HydrophobicContact CZ2-CD1 3.85Å; A48-L59 HydrophobicContact CB-CD1 4.46Å; A48-L59 HydrophobicContact CB-CD2 4.02Å; Q49-L59 HydrophobicContact CB-CD1 3.85Å; Q49-L59 HydrophobicContact CB-CG 4.16Å; L59-W83 HydrophobicContact CD2-CB 4.43Å; L59-G85 VanDerWaalsContact CB-CA 3.46Å; L59-I98 WeakPolarHBondContact O-CG2 3.39Å; L59-F143 HydrophobicContact CD2-CB 3.74Å; L59-F143 HydrophobicContact CD2-CD2 3.99Å; L59-F143 HydrophobicContact CD2-CG 4.26Å; L59-I144 WeakPolarHBondContact CA-O 3.44Å
60	A	97.3	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.			trans	-62.3	134.2	-170.6	0	0	0	0	0	113.6	Y34 N58 I84 G85 I144 E146	Y34-A60 HydrophobicContact CD1-CB 4.17Å; Y34-A60 HydrophobicContact CE1-CB 4Å; N58-A60 PolarHBondContact O-N 3.07Å; A60-I84 WeakPolarHBondContact O-CB 3.3Å; A60-G85 PolarHBondContact O-N 3.35Å; A60-I144 HydrophobicContact CB-CB 4.25Å; A60-I144 HydrophobicContact CB-CG2 3.88Å; A60-I144 PolarHBondContact N-O 2.82Å; A60-E146 WeakPolarHBondContact CA-OE2 3.38Å; A60-E146 HydrophobicContact CB-CB 4.1Å; A60-E146 HydrophobicContact CB-CG 4.47Å
61	V	96.7	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.			trans	-118.9	79.8	175.3	-170.6	0	0	0	0	108.1	S63 V86 I98 N99 V102 E146	V61-S63 PolarHBondContact O-N 3.44Å; V61-V86 HydrophobicContact CG1-CG2 4.41Å; V61-I98 HydrophobicContact CG2-CG2 3.58Å; V61-N99 HydrophobicContact CG2-CB 4.39Å; V61-V102 HydrophobicContact CB-CG1 4.12Å; V61-V102 HydrophobicContact CG1-CB 4.06Å; V61-V102 HydrophobicContact CG1-CG1 3.63Å; V61-E146 VanDerWaalsContact N-CD 3.35Å; V61-E146 PolarHBondContact N-OE2 3.08Å
62	I	94.5	Very high	94.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.171	C	C	.	.			trans	-56.9	107.9	-179	-61.4	164.9	0	0	0	109.4	Q67 Y68 V71 P104 W105 V123 Y132	I62-Q67 HydrophobicContact CG2-CB 3.97Å; I62-Y68 HydrophobicContact CD1-CD2 4.37Å; I62-Y68 HydrophobicContact CG2-CD2 4.12Å; I62-Y68 HydrophobicContact CG2-CG 4.42Å; I62-V71 HydrophobicContact CD1-CB 4.19Å; I62-V71 HydrophobicContact CD1-CG1 3.93Å; I62-V71 HydrophobicContact CD1-CG2 4.19Å; I62-V71 HydrophobicContact CG1-CG2 4.2Å; I62-P104 CarbonylContact O-C 3.57Å; I62-P104 WeakPolarHBondContact O-CA 3.4Å; I62-W105 PolarHBondContact O-N 2.9Å; I62-V123 HydrophobicContact CD1-CG2 4.42Å; I62-Y132 WeakPolarHBondContact CB-OH 3.28Å; I62-Y132 HydrophobicContact CD1-CE1 4.1Å; I62-Y132 WeakPolarHBondContact CG2-OH 3.35Å
63	S	93.8	Very high	94.1	Very high	45 Å²	45	38.9 Å²	38.9	32%	0.315	21%	0.206	S	C	.	.			trans	-111.7	3.9	-167.9	91.5	0	0	0	0	114.4	V61 Q67 W105	V61-S63 PolarHBondContact O-N 3.44Å; S63-Q67 PolarHBondContact OG-NE2 3.38Å; S63-W105 VanDerWaalsContact C-CB 3.46Å
64	S	93.8	Very high	93.9	Very high	38 Å²	38	37.9 Å²	37.9	27%	0.266	20%	0.201	S	C	.	.	S	Bend	trans	-155.5	163.2	176.4	75.8	0	0	0	0	111.3	G66 Q67 Y68	S64-G66 VanDerWaalsContact C-N 3.31Å; S64-G66 PolarHBondContact O-N 2.89Å; S64-Q67 PolarHBondContact O-N 2.91Å; S64-Q67 PolarHBondContact OG-N 2.77Å; S64-Y68 PolarHBondContact O-N 3.42Å
65	R	92.4	Very high	93.9	Very high	133 Å²	133	34.9 Å²	34.9	50%	0.502	19%	0.19	S	C	.	.	H	α-helix	trans	-55	-44.5	172.9	-176.8	174.1	169.2	149.7	7.5	112.5	Q67 Y68 E69 W105	R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 3Å; R65-Y68 WeakPolarHBondContact O-CB 3.23Å; R65-Y68 PolarHBondContact O-N 3.22Å; R65-Y68 VanDerWaalsContact O-N 3.09Å; R65-E69 HydrophobicContact CG-CG 4.32Å; R65-E69 IonicContact CZ-OE1 2.76Å; R65-E69 IonicContact NE-OE1 2.7Å; R65-E69 PolarHBondContact NE-OE1 3.1Å; R65-E69 IonicContact NE-OE2 3.19Å; R65-E69 IonicContact NH2-OE1 2.74Å; R65-E69 PolarHBondContact NH2-OE1 3.21Å; R65-E69 WeakPolarHBondContact O-CG 3.23Å; R65-E69 PolarHBondContact O-N 2.86Å; R65-W105 HydrophobicContact CB-CD2 4.28Å; R65-W105 HydrophobicContact CB-CE3 4.37Å; R65-W105 HydrophobicContact CB-CH2 3.77Å; R65-W105 HydrophobicContact CB-CZ2 3.63Å; R65-W105 HydrophobicContact CB-CZ3 4.14Å; R65-W105 HydrophobicContact CG-CH2 3.76Å; R65-W105 HydrophobicContact CG-CZ2 4Å; R65-W105 HydrophobicContact CG-CZ3 4.28Å
66	G	93.2	Very high	93.9	Very high	26 Å²	26	34.6 Å²	34.6	27%	0.268	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-36.9	178.5	0	0	0	0	0	113.4	S64 A70	S64-G66 VanDerWaalsContact C-N 3.31Å; S64-G66 PolarHBondContact O-N 2.89Å; G66-A70 WeakPolarHBondContact O-CB 3.24Å; G66-A70 PolarHBondContact O-N 3.08Å
67	Q	94.3	Very high	93.6	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-35.5	172.1	-70.3	174	30.7	0	0	112.2	L30 Y34 I62 S63 S64 R65 V71	L30-Q67 HydrophobicContact CD1-CB 4.49Å; L30-Q67 HydrophobicContact CD1-CG 3.93Å; L30-Q67 HydrophobicContact CD2-CG 4.43Å; Y34-Q67 WeakPolarHBondContact OH-CG 3.43Å; Y34-Q67 PolarHBondContact OH-OE1 3.33Å; I62-Q67 HydrophobicContact CG2-CB 3.97Å; S63-Q67 PolarHBondContact OG-NE2 3.38Å; S64-Q67 PolarHBondContact O-N 2.91Å; S64-Q67 PolarHBondContact OG-N 2.77Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 3Å; Q67-V71 WeakPolarHBondContact O-CB 3.25Å; Q67-V71 WeakPolarHBondContact O-CG2 3.32Å; Q67-V71 PolarHBondContact O-N 3.13Å
68	Y	92.5	Very high	93.3	Very high	19 Å²	19	36.3 Å²	36.3	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-47.6	176.2	-171.5	-89.5	0	0	0	111.4	I62 S64 R65 A70 V71 V72 W105 Y130 Y132	I62-Y68 HydrophobicContact CD1-CD2 4.37Å; I62-Y68 HydrophobicContact CG2-CD2 4.12Å; I62-Y68 HydrophobicContact CG2-CG 4.42Å; S64-Y68 PolarHBondContact O-N 3.42Å; R65-Y68 WeakPolarHBondContact O-CB 3.23Å; R65-Y68 PolarHBondContact O-N 3.22Å; R65-Y68 VanDerWaalsContact O-N 3.09Å; Y68-A70 VanDerWaalsContact C-N 3.33Å; Y68-A70 PolarHBondContact O-N 3.02Å; Y68-V71 PolarHBondContact O-N 2.94Å; Y68-V72 HydrophobicContact CD1-CG2 3.81Å; Y68-V72 HydrophobicContact CE1-CG2 3.42Å; Y68-V72 VanDerWaalsContact CE1-CG2 3.42Å; Y68-V72 HydrophobicContact CE2-CG2 4.37Å; Y68-V72 HydrophobicContact CG-CG2 4.42Å; Y68-V72 WeakPolarHBondContact O-CB 3.14Å; Y68-V72 VanDerWaalsContact O-CG2 3.22Å; Y68-V72 WeakPolarHBondContact O-CG2 3.07Å; Y68-V72 PolarHBondContact O-N 3.21Å; Y68-W105 HydrophobicContact CD1-CZ3 4.22Å; Y68-W105 HydrophobicContact CD2-CZ3 4.42Å; Y68-W105 HydrophobicContact CG-CE3 4.24Å; Y68-W105 AromaticContact CG-CZ3 3.85Å; Y68-W105 HydrophobicContact CG-CZ3 3.85Å; Y68-Y130 AromaticContact CD1-CD1 3.61Å; Y68-Y130 HydrophobicContact CD1-CD1 3.61Å; Y68-Y130 AromaticContact CD1-CE1 3.77Å; Y68-Y130 HydrophobicContact CD1-CE1 3.77Å; Y68-Y130 AromaticContact CE1-CD1 3.27Å; Y68-Y130 HydrophobicContact CE1-CD1 3.27Å; Y68-Y130 AromaticContact CE1-CE1 3.71Å; Y68-Y130 HydrophobicContact CE1-CE1 3.71Å; Y68-Y130 HydrophobicContact CE1-CG 4.24Å; Y68-Y130 HydrophobicContact CG-CD1 4.44Å; Y68-Y130 AromaticContact CZ-CD1 3.89Å; Y68-Y132 HydrophobicContact CD2-CE1 4.32Å; Y68-Y132 WeakPolarHBondContact CD2-OH 3.23Å; Y68-Y132 HydrophobicContact CE2-CE1 4.02Å
69	E	91.4	Very high	92.8	Very high	77 Å²	77	43.1 Å²	43.1	36%	0.36	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-39.8	177.4	-71.9	171.2	157.2	0	0	111.2	R65 T73	R65-E69 HydrophobicContact CG-CG 4.32Å; R65-E69 IonicContact CZ-OE1 2.76Å; R65-E69 IonicContact NE-OE1 2.7Å; R65-E69 PolarHBondContact NE-OE1 3.1Å; R65-E69 IonicContact NE-OE2 3.19Å; R65-E69 IonicContact NH2-OE1 2.74Å; R65-E69 PolarHBondContact NH2-OE1 3.21Å; R65-E69 WeakPolarHBondContact O-CG 3.23Å; R65-E69 PolarHBondContact O-N 2.86Å; E69-T73 WeakPolarHBondContact O-CB 3.42Å; E69-T73 PolarHBondContact O-N 3.08Å; E69-T73 PolarHBondContact O-OG1 3.06Å
70	A	92.5	Very high	92.5	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-56.9	170.4	0	0	0	0	0	112.5	F27 L30 G66 Y68 V72 T73 S74	F27-A70 HydrophobicContact CD1-CB 3.64Å; F27-A70 HydrophobicContact CD2-CB 4.26Å; F27-A70 HydrophobicContact CE1-CB 3.34Å; F27-A70 HydrophobicContact CE2-CB 3.98Å; F27-A70 HydrophobicContact CG-CB 4.09Å; F27-A70 HydrophobicContact CZ-CB 3.52Å; L30-A70 HydrophobicContact CD1-CB 3.91Å; G66-A70 WeakPolarHBondContact O-CB 3.24Å; G66-A70 PolarHBondContact O-N 3.08Å; Y68-A70 VanDerWaalsContact C-N 3.33Å; Y68-A70 PolarHBondContact O-N 3.02Å; A70-V72 PolarHBondContact O-N 3.25Å; A70-T73 PolarHBondContact O-N 3.24Å; A70-S74 PolarHBondContact O-N 3.21Å; A70-S74 PolarHBondContact O-OG 3.12Å
71	V	93.6	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-44.7	-179.5	160.1	0	0	0	0	112.2	Y34 I62 Q67 Y68 F75 F125 I144	Y34-V71 HydrophobicContact CD1-CG2 4.12Å; Y34-V71 HydrophobicContact CE1-CG2 4.09Å; Y34-V71 HydrophobicContact CE2-CG2 4.5Å; Y34-V71 HydrophobicContact CG-CG2 4.33Å; I62-V71 HydrophobicContact CD1-CB 4.19Å; I62-V71 HydrophobicContact CD1-CG1 3.93Å; I62-V71 HydrophobicContact CD1-CG2 4.19Å; I62-V71 HydrophobicContact CG1-CG2 4.2Å; Q67-V71 WeakPolarHBondContact O-CB 3.25Å; Q67-V71 WeakPolarHBondContact O-CG2 3.32Å; Q67-V71 PolarHBondContact O-N 3.13Å; Y68-V71 PolarHBondContact O-N 2.94Å; V71-F75 HydrophobicContact CG1-CD2 4.2Å; V71-F75 WeakPolarHBondContact O-CB 3.34Å; V71-F75 VanDerWaalsContact O-CD2 3.26Å; V71-F75 WeakPolarHBondContact O-CD2 3.43Å; V71-F75 PolarHBondContact O-N 3.2Å; V71-F125 HydrophobicContact CG1-CZ 4.12Å; V71-I144 HydrophobicContact CG1-CD1 3.78Å
72	V	91.3	Very high	92.1	Very high	43 Å²	43	47.3 Å²	47.3	26%	0.261	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-45.8	179.7	170.9	0	0	0	0	111	Y68 A70 S74 F75 A76 F125	Y68-V72 HydrophobicContact CD1-CG2 3.81Å; Y68-V72 HydrophobicContact CE1-CG2 3.42Å; Y68-V72 VanDerWaalsContact CE1-CG2 3.42Å; Y68-V72 HydrophobicContact CE2-CG2 4.37Å; Y68-V72 HydrophobicContact CG-CG2 4.42Å; Y68-V72 WeakPolarHBondContact O-CB 3.14Å; Y68-V72 VanDerWaalsContact O-CG2 3.22Å; Y68-V72 WeakPolarHBondContact O-CG2 3.07Å; Y68-V72 PolarHBondContact O-N 3.21Å; A70-V72 PolarHBondContact O-N 3.25Å; V72-S74 VanDerWaalsContact C-N 3.3Å; V72-S74 PolarHBondContact O-N 3.29Å; V72-F75 PolarHBondContact O-N 3.35Å; V72-A76 HydrophobicContact CG1-CB 4.05Å; V72-A76 WeakPolarHBondContact O-CB 3.27Å; V72-A76 PolarHBondContact O-N 3.42Å; V72-F125 HydrophobicContact CG2-CE1 4.01Å
73	T	91.4	Very high	92.2	Very high	121 Å²	121	47.2 Å²	47.2	74%	0.742	27%	0.266	S	S	*	.	H	α-helix	trans	-61.5	-39.7	-179.5	-57.2	0	0	0	0	111.5	E69 A70	E69-T73 WeakPolarHBondContact O-CB 3.42Å; E69-T73 PolarHBondContact O-N 3.08Å; E69-T73 PolarHBondContact O-OG1 3.06Å; A70-T73 PolarHBondContact O-N 3.24Å
74	S	92.7	Very high	92.4	Very high	33 Å²	33	45.1 Å²	45.1	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-42.6	177.5	-73.6	0	0	0	0	114.3	I25 F27 A70 V72	I25-S74 WeakPolarHBondContact CD1-OG 3.34Å; F27-S74 WeakPolarHBondContact CZ-OG 3.44Å; A70-S74 PolarHBondContact O-N 3.21Å; A70-S74 PolarHBondContact O-OG 3.12Å; V72-S74 VanDerWaalsContact C-N 3.3Å; V72-S74 PolarHBondContact O-N 3.29Å
75	F	93.2	Very high	92.5	Very high	17 Å²	17	43.3 Å²	43.3	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-116.5	-15.4	-161.4	-57.8	-58.7	0	0	0	115.6	I25 M36 V71 V72 S77 S78 F125 I144	I25-F75 HydrophobicContact CD1-CD1 4.41Å; I25-F75 HydrophobicContact CD1-CE1 3.57Å; I25-F75 HydrophobicContact CD1-CZ 3.71Å; I25-F75 HydrophobicContact CG1-CZ 4.39Å; M36-F75 HydrophobicContact CB-CD1 3.51Å; M36-F75 HydrophobicContact CB-CE1 3.45Å; M36-F75 VanDerWaalsContact CB-CE1 3.45Å; M36-F75 HydrophobicContact CB-CG 4.17Å; M36-F75 HydrophobicContact CB-CZ 4.07Å; M36-F75 HydrophobicContact CE-CB 3.74Å; M36-F75 HydrophobicContact CE-CD1 4.42Å; M36-F75 HydrophobicContact CE-CG 4.17Å; M36-F75 HydrophobicContact CG-CD1 4.36Å; M36-F75 HydrophobicContact SD-CB 4.2Å; M36-F75 HydrophobicContact SD-CD1 4.02Å; M36-F75 HydrophobicContact SD-CG 4.35Å; V71-F75 HydrophobicContact CG1-CD2 4.2Å; V71-F75 WeakPolarHBondContact O-CB 3.34Å; V71-F75 VanDerWaalsContact O-CD2 3.26Å; V71-F75 WeakPolarHBondContact O-CD2 3.43Å; V71-F75 PolarHBondContact O-N 3.2Å; V72-F75 PolarHBondContact O-N 3.35Å; F75-S77 PolarHBondContact O-N 3.28Å; F75-S78 VanDerWaalsContact O-CB 3.31Å; F75-S78 WeakPolarHBondContact O-CB 3.27Å; F75-S78 PolarHBondContact O-N 3.13Å; F75-S78 VanDerWaalsContact O-N 3.09Å; F75-S78 PolarHBondContact O-OG 2.96Å; F75-F125 HydrophobicContact CB-CE2 3.83Å; F75-F125 HydrophobicContact CB-CZ 3.91Å; F75-I144 HydrophobicContact CD2-CD1 3.94Å; F75-I144 HydrophobicContact CD2-CG1 4.32Å; F75-I144 HydrophobicContact CE2-CD1 4.48Å; F75-I144 HydrophobicContact CE2-CG2 4.1Å
76	A	90.7	Very high	92.7	Very high	30 Å²	30	37 Å²	37	25%	0.248	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64.4	-24.9	-176	0	0	0	0	0	113.9	V72 S78 K79 F125	V72-A76 HydrophobicContact CG1-CB 4.05Å; V72-A76 WeakPolarHBondContact O-CB 3.27Å; V72-A76 PolarHBondContact O-N 3.42Å; A76-S78 PolarHBondContact O-N 3.24Å; A76-K79 PolarHBondContact O-N 3.39Å; A76-K79 VanDerWaalsContact O-N 3.11Å; A76-F125 HydrophobicContact CB-CB 4.14Å; A76-F125 HydrophobicContact CB-CD1 3.73Å; A76-F125 HydrophobicContact CB-CE1 4.27Å; A76-F125 HydrophobicContact CB-CG 3.97Å
77	S	89.5	Confident	92.7	Very high	103 Å²	103	35.9 Å²	35.9	72%	0.72	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-57	-27.1	173.5	57.1	0	0	0	0	113.7	F75 K79	F75-S77 PolarHBondContact O-N 3.28Å; S77-K79 VanDerWaalsContact C-N 3.31Å; S77-K79 PolarHBondContact O-N 3.12Å
78	S	88.7	Confident	92.5	Very high	50 Å²	50	35.6 Å²	35.6	35%	0.35	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-66.5	-28.6	177	67.9	0	0	0	0	113.8	F75 A76 E80	F75-S78 VanDerWaalsContact O-CB 3.31Å; F75-S78 WeakPolarHBondContact O-CB 3.27Å; F75-S78 PolarHBondContact O-N 3.13Å; F75-S78 VanDerWaalsContact O-N 3.09Å; F75-S78 PolarHBondContact O-OG 2.96Å; A76-S78 PolarHBondContact O-N 3.24Å; S78-E80 PolarHBondContact O-N 3.27Å; S78-E80 VanDerWaalsContact O-N 3.14Å; S78-E80 WeakPolarHBondContact OG-CB 3.23Å; S78-E80 PolarHBondContact OG-N 3.2Å
79	K	88.1	Confident	92.3	Very high	151 Å²	151	36.7 Å²	36.7	66%	0.657	21%	0.207	S	C	*	.			trans	57.5	13.6	-168.5	-50	175.3	-174.4	176.6	0	114.5	A76 S77 K126	A76-K79 PolarHBondContact O-N 3.39Å; A76-K79 VanDerWaalsContact O-N 3.11Å; S77-K79 VanDerWaalsContact C-N 3.31Å; S77-K79 PolarHBondContact O-N 3.12Å; K79-K126 VanDerWaalsContact O-CE 3.23Å; K79-K126 WeakPolarHBondContact O-CE 3.47Å
80	E	90.4	Very high	92	Very high	56 Å²	56	35.9 Å²	35.9	26%	0.262	21%	0.214	S	C	.	.			trans	-66.4	169.4	170.7	-74.1	-78.4	-158.9	0	0	110.7	M36 S39 S78 F125 A142	M36-E80 HydrophobicContact CE-CB 4.24Å; S39-E80 PolarHBondContact N-OE1 3.27Å; S78-E80 PolarHBondContact O-N 3.27Å; S78-E80 VanDerWaalsContact O-N 3.14Å; S78-E80 WeakPolarHBondContact OG-CB 3.23Å; S78-E80 PolarHBondContact OG-N 3.2Å; E80-F125 WeakPolarHBondContact O-CD2 3.29Å; E80-A142 HydrophobicContact CB-CB 4.03Å; E80-A142 HydrophobicContact CG-CB 4.13Å
81	Q	92	Very high	91	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.145	25%	0.248	C	C	.	.			trans	-127.7	71.9	177.2	-72.8	-177.7	-22.3	0	0	110	Y122 V123 D124 R141	Q81-Y122 HydrophobicContact CB-CD2 3.7Å; Q81-Y122 HydrophobicContact CB-CE2 3.83Å; Q81-Y122 HydrophobicContact CG-CD2 4.33Å; Q81-Y122 HydrophobicContact CG-CE2 4.05Å; Q81-V123 CarbonylContact C-O 3.59Å; Q81-V123 WeakPolarHBondContact CA-O 3.36Å; Q81-D124 WeakPolarHBondContact CG-OD1 3.48Å; Q81-D124 PolarHBondContact NE2-OD1 3.18Å; Q81-D124 PolarHBondContact NE2-OD2 3.38Å; Q81-D124 VanDerWaalsContact NE2-OD2 3.13Å; Q81-R141 WeakPolarHBondContact O-CD 3.44Å
82	P	94.8	Very high	89.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	26%	0.259	C	S	.	.			trans	-77.8	142.8	-164.2	30.7	-37.9	0	0	0	114.2	M36 Y122 V123 F125 A142 I144	M36-P82 HydrophobicContact CE-CB 3.92Å; M36-P82 HydrophobicContact CE-CG 3.64Å; P82-Y122 CarbonylContact O-C 3.42Å; P82-Y122 WeakPolarHBondContact O-CA 3.22Å; P82-Y122 WeakPolarHBondContact O-CB 3.49Å; P82-V123 WeakPolarHBondContact CD-O 3.32Å; P82-V123 HydrophobicContact CG-CB 4.48Å; P82-V123 PolarHBondContact O-N 2.93Å; P82-F125 HydrophobicContact CG-CD2 4.35Å; P82-F125 HydrophobicContact CG-CE2 3.65Å; P82-F125 HydrophobicContact CG-CZ 4.29Å; P82-A142 CarbonylContact C-O 3.33Å; P82-A142 VanDerWaalsContact CA-O 3.25Å; P82-A142 WeakPolarHBondContact CA-O 3.27Å; P82-A142 HydrophobicContact CB-CB 4.18Å; P82-I144 HydrophobicContact CB-CD1 4.13Å; P82-I144 HydrophobicContact CB-CG1 3.91Å; P82-I144 HydrophobicContact CG-CD1 3.6Å; P82-I144 HydrophobicContact CG-CG1 3.93Å
83	W	96.9	Very high	88.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	139.6	166.9	-68.2	131.4	0	0	0	112	F43 W45 L59 C120 Y122 D135 D136 S139 R141 A142 F143 I144	F43-W83 PolarHBondContact O-NE1 2.91Å; W45-W83 HydrophobicContact CB-CD2 4.23Å; W45-W83 HydrophobicContact CB-CG 4.4Å; W45-W83 AromaticContact CD1-CD2 3.87Å; W45-W83 AromaticContact CD1-CE3 3.93Å; W45-W83 AromaticContact CD1-CG 3.93Å; W45-W83 HydrophobicContact CG-CD2 4.49Å; L59-W83 HydrophobicContact CD2-CB 4.43Å; W83-C120 HydrophobicContact CE3-CB 4.01Å; W83-C120 HydrophobicContact CH2-CB 3.97Å; W83-C120 HydrophobicContact CZ3-CB 3.62Å; W83-C120 WeakPolarHBondContact CZ3-O 3.45Å; W83-Y122 HydrophobicContact CZ3-CD1 4.09Å; W83-D135 HydrophobicContact CH2-CB 3.92Å; W83-D135 HydrophobicContact CZ3-CB 4.28Å; W83-D136 VanDerWaalsContact CH2-O 3.29Å; W83-D136 WeakPolarHBondContact CH2-O 3.44Å; W83-S139 VanDerWaalsContact CZ2-O 3.32Å; W83-S139 WeakPolarHBondContact CZ2-O 3.42Å; W83-R141 HydrophobicContact CD2-CB 4.34Å; W83-R141 HydrophobicContact CD2-CG 4.49Å; W83-R141 HydrophobicContact CG-CB 4.32Å; W83-R141 HydrophobicContact CZ2-CG 4.09Å; W83-A142 PolarHBondContact N-O 2.87Å; W83-F143 HydrophobicContact CB-CB 4.07Å; W83-I144 PolarHBondContact O-N 3.48Å
84	I	96.5	Very high	88.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	164.1	168.1	54.5	160.5	0	0	0	110.3	W45 A60 V86 L121 V123 Y132	W45-I84 PolarHBondContact NE1-O 2.9Å; A60-I84 WeakPolarHBondContact O-CB 3.3Å; I84-V86 HydrophobicContact CD1-CB 4.41Å; I84-V86 HydrophobicContact CD1-CG2 4.11Å; I84-V86 PolarHBondContact O-N 2.74Å; I84-L121 HydrophobicContact CD1-CB 4.11Å; I84-L121 HydrophobicContact CG1-CB 3.98Å; I84-L121 WeakPolarHBondContact CG1-O 3.29Å; I84-L121 PolarHBondContact N-O 3.19Å; I84-V123 HydrophobicContact CG2-CG2 3.63Å; I84-Y132 HydrophobicContact CD1-CD1 3.44Å; I84-Y132 VanDerWaalsContact CD1-CD1 3.44Å; I84-Y132 HydrophobicContact CD1-CE1 3.64Å; I84-Y132 HydrophobicContact CD1-CG 4Å
85	G	97.3	Very high	88.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	42	-173.7	0	0	0	0	0	114.6	L59 A60 S97 I98	L59-G85 VanDerWaalsContact CB-CA 3.46Å; A60-G85 PolarHBondContact O-N 3.35Å; G85-S97 CarbonylContact O-C 3.5Å; G85-S97 VanDerWaalsContact O-CA 3.29Å; G85-S97 WeakPolarHBondContact O-CA 3.3Å; G85-I98 WeakPolarHBondContact O-CG2 3.14Å; G85-I98 PolarHBondContact O-N 3.15Å
86	V	95.4	Very high	88.5	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.4	-178.4	-168.9	0	0	0	0	110.6	V61 I84 L95 R96 P104 L121	V61-V86 HydrophobicContact CG1-CG2 4.41Å; I84-V86 HydrophobicContact CD1-CB 4.41Å; I84-V86 HydrophobicContact CD1-CG2 4.11Å; I84-V86 PolarHBondContact O-N 2.74Å; V86-L95 HydrophobicContact CG1-CB 4.23Å; V86-L95 HydrophobicContact CG1-CD2 4.24Å; V86-R96 WeakPolarHBondContact CA-O 3.26Å; V86-P104 HydrophobicContact CG1-CG 4.41Å; V86-P104 HydrophobicContact CG2-CB 4.24Å; V86-L121 HydrophobicContact CB-CB 4.26Å; V86-L121 HydrophobicContact CB-CD2 4.04Å; V86-L121 HydrophobicContact CG1-CD2 3.82Å; V86-L121 WeakPolarHBondContact O-CB 3.41Å; V86-L121 PolarHBondContact O-N 2.66Å
87	V	93.6	Very high	88.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.9	-179.4	-175.6	0	0	0	0	108.9	W45 L95 R96 L118 I162	W45-V87 HydrophobicContact CH2-CG2 3.89Å; W45-V87 HydrophobicContact CZ2-CG2 3.62Å; W45-V87 HydrophobicContact CZ3-CG2 4.47Å; V87-L95 WeakPolarHBondContact O-CA 3.26Å; V87-R96 PolarHBondContact N-O 2.95Å; V87-R96 PolarHBondContact O-N 2.81Å; V87-L118 HydrophobicContact CG1-CD1 3.99Å; V87-L118 HydrophobicContact CG1-CD2 4.09Å; V87-L118 HydrophobicContact CG1-CG 3.84Å; V87-I162 HydrophobicContact CG2-CD1 3.96Å
88	K	90.5	Very high	89	Confident	5 Å²	5	40.4 Å²	40.4	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.8	165.7	-176.3	-164.2	178.5	-172	0	108.4	G92 L95 V111 D112 N113 S115 L118 A119 L121	K88-G92 VanDerWaalsContact CE-O 3.29Å; K88-G92 WeakPolarHBondContact CE-O 3.43Å; K88-L95 HydrophobicContact CB-CD2 4.25Å; K88-V111 HydrophobicContact CD-CG1 4.15Å; K88-D112 PolarHBondContact NZ-O 2.93Å; K88-N113 WeakPolarHBondContact CE-OD1 3.42Å; K88-N113 PolarHBondContact NZ-OD1 3.07Å; K88-S115 PolarHBondContact NZ-O 2.64Å; K88-L118 VanDerWaalsContact O-CA 3.27Å; K88-L118 WeakPolarHBondContact O-CA 3.43Å; K88-L118 WeakPolarHBondContact O-CG 3.32Å; K88-A119 HydrophobicContact CB-CB 4.43Å; K88-A119 PolarHBondContact N-O 3Å; K88-A119 PolarHBondContact O-N 3.32Å; K88-L121 HydrophobicContact CB-CD1 3.98Å
89	M	88.5	Confident	89.3	Confident	42 Å²	42	39.2 Å²	39.2	21%	0.207	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-72.9	150.6	178.2	-56.1	-59.6	-67.1	0	0	111.1	S94 R96 E161	M89-S94 PolarHBondContact N-O 2.94Å; M89-R96 HydrophobicContact CG-CB 4.31Å; M89-R96 HydrophobicContact SD-CB 3.91Å; M89-E161 HydrophobicContact CE-CB 4.16Å; M89-E161 HydrophobicContact CE-CG 3.99Å
90	A	83.6	Confident	89.4	Confident	61 Å²	61	36.7 Å²	36.7	50%	0.504	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	148.3	172.5	0	0	0	0	0	111.5	S116 L118	A90-S116 WeakPolarHBondContact CA-O 3.32Å; A90-L118 HydrophobicContact CB-CB 4.19Å
91	G	71.3	Confident	89.6	Confident	73 Å²	73	42.3 Å²	42.3	75%	0.753	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	7.9	174.1	0	0	0	0	0	116.6	S116	G91-S116 PolarHBondContact N-O 2.94Å
92	G	68.7	Low	89.6	Confident	23 Å²	23	42 Å²	42	24%	0.237	26%	0.256	C	S	.	.	S	Bend	trans	176.5	-166.3	172.1	0	0	0	0	0	115.7	K88 S94	K88-G92 VanDerWaalsContact CE-O 3.29Å; K88-G92 WeakPolarHBondContact CE-O 3.43Å; G92-S94 PolarHBondContact O-N 2.93Å
93	T	74.1	Confident	89.5	Confident	108 Å²	108	49.8 Å²	49.8	66%	0.663	29%	0.29	S	S	*	.	S	Bend	trans	-83.7	14.7	175.9	51.4	0	0	0	0	113.3	L95 N113	T93-L95 PolarHBondContact O-N 2.89Å; T93-N113 HydrophobicContact CG2-CB 4.38Å
94	S	85.7	Confident	89.3	Confident	75 Å²	75	50.4 Å²	50.4	52%	0.524	29%	0.294	S	S	.	.			trans	-73.5	120.2	-176.6	-171.4	0	0	0	0	110.8	M89 G92	M89-S94 PolarHBondContact N-O 2.94Å; G92-S94 PolarHBondContact O-N 2.93Å
95	L	89.6	Confident	89	Confident	57 Å²	57	53.7 Å²	53.7	30%	0.298	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.8	178.5	-65.4	168.8	0	0	0	110.2	V86 V87 K88 T93 P104 F109 V111 L121	V86-L95 HydrophobicContact CG1-CB 4.23Å; V86-L95 HydrophobicContact CG1-CD2 4.24Å; V87-L95 WeakPolarHBondContact O-CA 3.26Å; K88-L95 HydrophobicContact CB-CD2 4.25Å; T93-L95 PolarHBondContact O-N 2.89Å; L95-P104 HydrophobicContact CD1-CG 4.5Å; L95-F109 HydrophobicContact CD1-CE1 3.7Å; L95-F109 HydrophobicContact CD1-CE2 4.08Å; L95-F109 HydrophobicContact CD1-CZ 3.37Å; L95-F109 HydrophobicContact CD2-CZ 4.47Å; L95-V111 HydrophobicContact CD2-CG2 4.33Å; L95-L121 HydrophobicContact CD2-CD1 4.13Å; L95-L121 HydrophobicContact CD2-CD2 3.89Å
96	R	91.6	Very high	88.6	Confident	92 Å²	92	54.7 Å²	54.7	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.9	175.9	178.4	178.4	176.7	177	-2.8	110.5	V86 V87 M89 E161	V86-R96 WeakPolarHBondContact CA-O 3.26Å; V87-R96 PolarHBondContact N-O 2.95Å; V87-R96 PolarHBondContact O-N 2.81Å; M89-R96 HydrophobicContact CG-CB 4.31Å; M89-R96 HydrophobicContact SD-CB 3.91Å; R96-E161 IonicContact CZ-OE1 3.44Å; R96-E161 IonicContact CZ-OE2 3.99Å; R96-E161 IonicContact NH1-OE1 2.88Å; R96-E161 PolarHBondContact NH1-OE1 3.24Å; R96-E161 IonicContact NH1-OE2 3.12Å; R96-E161 PolarHBondContact NH1-OE2 3.25Å
97	S	95	Very high	88.1	Confident	10 Å²	10	59.9 Å²	59.9	7%	0.07	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149.2	169.2	-51.8	0	0	0	0	111.5	G85 N99 V102	G85-S97 CarbonylContact O-C 3.5Å; G85-S97 VanDerWaalsContact O-CA 3.29Å; G85-S97 WeakPolarHBondContact O-CA 3.3Å; S97-N99 VanDerWaalsContact C-N 3.27Å; S97-N99 VanDerWaalsContact CB-O 3.23Å; S97-N99 WeakPolarHBondContact CB-O 3.42Å; S97-N99 PolarHBondContact O-N 2.79Å; S97-V102 WeakPolarHBondContact CB-O 3.48Å; S97-V102 PolarHBondContact OG-O 2.71Å
98	I	96.3	Very high	87.4	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.046	38%	0.378	C	S	.	.	S	Bend	trans	-61.1	-37.9	170	-176.4	56.1	0	0	0	111.4	W45 Q49 N58 L59 V61 G85 P100 S157 P159	W45-I98 HydrophobicContact CH2-CB 4.26Å; W45-I98 HydrophobicContact CH2-CD1 4.14Å; W45-I98 HydrophobicContact CH2-CG1 4.46Å; W45-I98 HydrophobicContact CZ2-CB 4.49Å; Q49-I98 HydrophobicContact CG-CD1 4.12Å; Q49-I98 HydrophobicContact CG-CG1 4.35Å; N58-I98 HydrophobicContact CB-CG2 4.38Å; L59-I98 WeakPolarHBondContact O-CG2 3.39Å; V61-I98 HydrophobicContact CG2-CG2 3.58Å; G85-I98 WeakPolarHBondContact O-CG2 3.14Å; G85-I98 PolarHBondContact O-N 3.15Å; I98-P100 VanDerWaalsContact O-CD 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.24Å; I98-S157 WeakPolarHBondContact CD1-O 3.23Å; I98-P159 HydrophobicContact CD1-CG 4.49Å
99	N	94.4	Very high	86.9	Confident	26 Å²	26	67.4 Å²	67.4	14%	0.139	38%	0.384	C	S	.	.	S	Bend	trans	-92.8	101.3	166.4	-178	-15.7	0	0	0	109.3	V61 S97 K101 V102 Y156	V61-N99 HydrophobicContact CG2-CB 4.39Å; S97-N99 VanDerWaalsContact C-N 3.27Å; S97-N99 VanDerWaalsContact CB-O 3.23Å; S97-N99 WeakPolarHBondContact CB-O 3.42Å; S97-N99 PolarHBondContact O-N 2.79Å; N99-K101 PolarHBondContact O-N 3.26Å; N99-K101 WeakPolarHBondContact OD1-CB 3.39Å; N99-K101 PolarHBondContact OD1-N 3.4Å; N99-V102 HydrophobicContact CB-CB 4.42Å; N99-V102 HydrophobicContact CB-CG2 4.32Å; N99-V102 WeakPolarHBondContact ND2-CG2 3.3Å; N99-V102 PolarHBondContact O-N 2.94Å; N99-V102 VanDerWaalsContact O-N 3.07Å; N99-Y156 HydrophobicContact CB-CD2 4.11Å; N99-Y156 HydrophobicContact CB-CE2 3.58Å; N99-Y156 PolarHBondContact OD1-OH 2.8Å
100	P	92.1	Very high	86.3	Confident	98 Å²	98	73.2 Å²	73.2	64%	0.636	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.5	-172.1	29.3	-37.2	0	0	0	114.3	I98 V102	I98-P100 VanDerWaalsContact O-CD 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-V102 VanDerWaalsContact C-N 3.35Å
101	K	92.7	Very high	85.9	Confident	174 Å²	174	71 Å²	71	76%	0.757	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.7	175	-58.7	178.3	-179.1	176.2	0	112.6	N99	N99-K101 PolarHBondContact O-N 3.26Å; N99-K101 WeakPolarHBondContact OD1-CB 3.39Å; N99-K101 PolarHBondContact OD1-N 3.4Å
102	V	92.9	Very high	85.9	Confident	25 Å²	25	72 Å²	72	15%	0.152	38%	0.376	C	S	.	.			trans	-117.1	131.4	-170.4	-177.1	0	0	0	0	109.2	V61 S97 N99 P100	V61-V102 HydrophobicContact CB-CG1 4.12Å; V61-V102 HydrophobicContact CG1-CB 4.06Å; V61-V102 HydrophobicContact CG1-CG1 3.63Å; S97-V102 WeakPolarHBondContact CB-O 3.48Å; S97-V102 PolarHBondContact OG-O 2.71Å; N99-V102 HydrophobicContact CB-CB 4.42Å; N99-V102 HydrophobicContact CB-CG2 4.32Å; N99-V102 WeakPolarHBondContact ND2-CG2 3.3Å; N99-V102 PolarHBondContact O-N 2.94Å; N99-V102 VanDerWaalsContact O-N 3.07Å; P100-V102 VanDerWaalsContact C-N 3.35Å
103	K	92.3	Very high	85.5	Confident	163 Å²	163	74.1 Å²	74.1	71%	0.709	38%	0.382	S	S	*	.			trans	-97.9	145.8	172.2	-67.9	-176.5	178	-177.7	0	109.7
104	P	92.6	Very high	84.8	Confident	13 Å²	13	73.5 Å²	73.5	8%	0.084	38%	0.383	C	S	.	.			trans	-62.2	150.5	169.7	27.7	-34.6	0	0	0	111.3	I62 V86 L95 P106 F109	I62-P104 CarbonylContact O-C 3.57Å; I62-P104 WeakPolarHBondContact O-CA 3.4Å; V86-P104 HydrophobicContact CG1-CG 4.41Å; V86-P104 HydrophobicContact CG2-CB 4.24Å; L95-P104 HydrophobicContact CD1-CG 4.5Å; P104-P106 CarbonylContact C-O 3.54Å; P104-F109 HydrophobicContact CB-CE1 4.04Å; P104-F109 HydrophobicContact CB-CZ 4.35Å; P104-F109 HydrophobicContact CG-CE1 3.91Å; P104-F109 HydrophobicContact CG-CZ 4.21Å
105	W	91.4	Very high	84	Confident	69 Å²	69	72.2 Å²	72.2	26%	0.261	37%	0.374	S	S	.	.	S	Bend	trans	-116.4	138.5	168.9	179.7	91.2	0	0	0	110	I62 S63 R65 Y68 Y130 Y132	I62-W105 PolarHBondContact O-N 2.9Å; S63-W105 VanDerWaalsContact C-CB 3.46Å; R65-W105 HydrophobicContact CB-CD2 4.28Å; R65-W105 HydrophobicContact CB-CE3 4.37Å; R65-W105 HydrophobicContact CB-CH2 3.77Å; R65-W105 HydrophobicContact CB-CZ2 3.63Å; R65-W105 HydrophobicContact CB-CZ3 4.14Å; R65-W105 HydrophobicContact CG-CH2 3.76Å; R65-W105 HydrophobicContact CG-CZ2 4Å; R65-W105 HydrophobicContact CG-CZ3 4.28Å; Y68-W105 HydrophobicContact CD1-CZ3 4.22Å; Y68-W105 HydrophobicContact CD2-CZ3 4.42Å; Y68-W105 HydrophobicContact CG-CE3 4.24Å; Y68-W105 AromaticContact CG-CZ3 3.85Å; Y68-W105 HydrophobicContact CG-CZ3 3.85Å; W105-Y130 HydrophobicContact CH2-CD1 4.19Å; W105-Y130 HydrophobicContact CH2-CE1 4.2Å; W105-Y130 HydrophobicContact CZ3-CD1 4.14Å; W105-Y130 HydrophobicContact CZ3-CE1 4.38Å; W105-Y132 VanDerWaalsContact O-CE2 3.23Å; W105-Y132 WeakPolarHBondContact O-CE2 3.02Å; W105-Y132 PolarHBondContact O-OH 3.4Å
106	P	89.2	Confident	83.2	Confident	22 Å²	22	73.8 Å²	73.8	14%	0.143	39%	0.389	C	S	.	.	S	Bend	cis	-64	169	-6.6	29.7	-36.3	0	0	0	111.5	P104 F109	P104-P106 CarbonylContact C-O 3.54Å; P106-F109 HydrophobicContact CG-CB 4.15Å; P106-F109 WeakPolarHBondContact O-CD1 3.47Å; P106-F109 WeakPolarHBondContact O-CE1 3.45Å
107	T	84.5	Confident	82.9	Confident	110 Å²	110	74.8 Å²	74.8	68%	0.675	40%	0.396	S	S	*	.	S	Bend	trans	-91.4	-8.5	-174.6	42.6	0	0	0	0	113.9
108	D	79.4	Confident	82.6	Confident	134 Å²	134	75 Å²	75	72%	0.717	40%	0.396	S	S	*	.	S	Bend	trans	-130.9	16.1	-161.5	52.3	-49.8	0	0	0	112.2
109	F	79.9	Confident	82.4	Confident	31 Å²	31	75 Å²	75	14%	0.136	40%	0.398	C	S	.	.			trans	-65.9	142.5	174.6	64.3	-75.5	0	0	0	112.4	L95 P104 P106 V111 L121 Y132	L95-F109 HydrophobicContact CD1-CE1 3.7Å; L95-F109 HydrophobicContact CD1-CE2 4.08Å; L95-F109 HydrophobicContact CD1-CZ 3.37Å; L95-F109 HydrophobicContact CD2-CZ 4.47Å; P104-F109 HydrophobicContact CB-CE1 4.04Å; P104-F109 HydrophobicContact CB-CZ 4.35Å; P104-F109 HydrophobicContact CG-CE1 3.91Å; P104-F109 HydrophobicContact CG-CZ 4.21Å; P106-F109 HydrophobicContact CG-CB 4.15Å; P106-F109 WeakPolarHBondContact O-CD1 3.47Å; P106-F109 WeakPolarHBondContact O-CE1 3.45Å; F109-V111 HydrophobicContact CD2-CG2 3.57Å; F109-V111 HydrophobicContact CE2-CG2 3.26Å; F109-V111 HydrophobicContact CZ-CG2 4.33Å; F109-V111 PolarHBondContact O-N 2.89Å; F109-L121 HydrophobicContact CE2-CD2 3.58Å; F109-L121 HydrophobicContact CZ-CD2 3.75Å; F109-Y132 HydrophobicContact CD1-CD2 4.07Å; F109-Y132 HydrophobicContact CD1-CE2 4.43Å; F109-Y132 AromaticContact CD2-CD2 3.71Å; F109-Y132 HydrophobicContact CD2-CD2 3.71Å; F109-Y132 HydrophobicContact CD2-CG 4.37Å; F109-Y132 AromaticContact CE1-CD2 3.9Å; F109-Y132 HydrophobicContact CE1-CD2 3.9Å; F109-Y132 HydrophobicContact CE1-CE2 4.23Å; F109-Y132 AromaticContact CE2-CD2 3.5Å; F109-Y132 HydrophobicContact CE2-CD2 3.5Å; F109-Y132 HydrophobicContact CE2-CG 4.07Å; F109-Y132 AromaticContact CG-CD2 3.97Å; F109-Y132 HydrophobicContact CG-CD2 3.97Å; F109-Y132 AromaticContact CZ-CD2 3.59Å; F109-Y132 HydrophobicContact CZ-CD2 3.59Å; F109-Y132 HydrophobicContact CZ-CE2 4.28Å; F109-Y132 HydrophobicContact CZ-CG 4.44Å
110	F	74.4	Confident	82.5	Confident	165 Å²	165	73.8 Å²	73.8	72%	0.724	39%	0.392	S	S	*	.			trans	-83.7	110.1	172.8	-174.7	-96.9	0	0	0	110.5	D112	F110-D112 HydrophobicContact CE1-CB 4.32Å
111	V	76.6	Confident	82.6	Confident	15 Å²	15	69.1 Å²	69.1	9%	0.091	36%	0.361	C	S	.	.			trans	-89.7	135.1	157.3	-177.4	0	0	0	0	107.6	K88 L95 F109 N113 L121 A134	K88-V111 HydrophobicContact CD-CG1 4.15Å; L95-V111 HydrophobicContact CD2-CG2 4.33Å; F109-V111 HydrophobicContact CD2-CG2 3.57Å; F109-V111 HydrophobicContact CE2-CG2 3.26Å; F109-V111 HydrophobicContact CZ-CG2 4.33Å; F109-V111 PolarHBondContact O-N 2.89Å; V111-N113 PolarHBondContact O-N 3.14Å; V111-L121 HydrophobicContact CG2-CD2 4.09Å; V111-L121 HydrophobicContact CG2-CG 4.47Å; V111-A134 HydrophobicContact CG1-CB 3.42Å; V111-A134 VanDerWaalsContact CG1-CB 3.42Å
112	D	70.2	Confident	82.6	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	33%	0.329	S	S	.	.			trans	-54.3	126.3	178.3	-177.5	19.3	0	0	0	111.6	K88 F110 S114	K88-D112 PolarHBondContact NZ-O 2.93Å; F110-D112 HydrophobicContact CE1-CB 4.32Å; D112-S114 VanDerWaalsContact CG-OG 3.23Å; D112-S114 WeakPolarHBondContact OD1-CB 3.36Å; D112-S114 PolarHBondContact OD1-N 3.35Å; D112-S114 PolarHBondContact OD1-OG 3.19Å; D112-S114 WeakPolarHBondContact OD2-CB 3.08Å; D112-S114 PolarHBondContact OD2-OG 3.44Å
113	N	60.6	Low	82.6	Confident	68 Å²	68	60.6 Å²	60.6	36%	0.364	32%	0.322	S	S	.	.			trans	-103.2	8	-179	-151.8	40.8	0	0	0	114.1	K88 T93 V111 S115	K88-N113 WeakPolarHBondContact CE-OD1 3.42Å; K88-N113 PolarHBondContact NZ-OD1 3.07Å; T93-N113 HydrophobicContact CG2-CB 4.38Å; V111-N113 PolarHBondContact O-N 3.14Å; N113-S115 PolarHBondContact O-N 3.46Å
114	S	60	Low	82.4	Confident	96 Å²	96	53.3 Å²	53.3	67%	0.671	29%	0.291	S	S	*	.	S	Bend	trans	-53.8	-41.3	169.9	70.3	0	0	0	0	112.5	D112	D112-S114 VanDerWaalsContact CG-OG 3.23Å; D112-S114 WeakPolarHBondContact OD1-CB 3.36Å; D112-S114 PolarHBondContact OD1-N 3.35Å; D112-S114 PolarHBondContact OD1-OG 3.19Å; D112-S114 WeakPolarHBondContact OD2-CB 3.08Å; D112-S114 PolarHBondContact OD2-OG 3.44Å
115	S	67.9	Low	82.2	Confident	48 Å²	48	54 Å²	54	34%	0.336	29%	0.292	S	S	.	.			trans	-88.3	116	175.8	-174.8	0	0	0	0	111.1	K88 N113 K117	K88-S115 PolarHBondContact NZ-O 2.64Å; N113-S115 PolarHBondContact O-N 3.46Å; S115-K117 PolarHBondContact O-N 3.47Å; S115-K117 WeakPolarHBondContact OG-CB 3.39Å; S115-K117 PolarHBondContact OG-N 3.45Å
116	S	73.9	Confident	81.6	Confident	89 Å²	89	56.6 Å²	56.6	62%	0.622	31%	0.305	S	S	*	.			trans	-75	-4.7	170.5	56.9	0	0	0	0	113.8	A90 G91	A90-S116 WeakPolarHBondContact CA-O 3.32Å; G91-S116 PolarHBondContact N-O 2.94Å
117	K	84.3	Confident	80.8	Confident	113 Å²	113	61.5 Å²	61.5	49%	0.491	33%	0.326	S	S	.	.	S	Bend	trans	-73.9	157.8	177.9	-55.9	-179.7	179.9	-179	0	111.3	S115	S115-K117 PolarHBondContact O-N 3.47Å; S115-K117 WeakPolarHBondContact OG-CB 3.39Å; S115-K117 PolarHBondContact OG-N 3.45Å
118	L	89.8	Confident	79.6	Confident	14 Å²	14	62 Å²	62	7%	0.073	33%	0.334	C	S	.	.			trans	-63.6	140.2	162.9	175.8	148.3	0	0	0	109.2	V87 K88 A90 C137 E161 I162 T165	V87-L118 HydrophobicContact CG1-CD1 3.99Å; V87-L118 HydrophobicContact CG1-CD2 4.09Å; V87-L118 HydrophobicContact CG1-CG 3.84Å; K88-L118 VanDerWaalsContact O-CA 3.27Å; K88-L118 WeakPolarHBondContact O-CA 3.43Å; K88-L118 WeakPolarHBondContact O-CG 3.32Å; A90-L118 HydrophobicContact CB-CB 4.19Å; L118-C137 VanDerWaalsContact CD2-SG 3.5Å; L118-E161 HydrophobicContact CD1-CB 4.06Å; L118-I162 HydrophobicContact CD2-CG1 4.29Å; L118-I162 HydrophobicContact CD2-CG2 4.48Å; L118-T165 HydrophobicContact CB-CG2 3.93Å
119	A	92.4	Very high	78.6	Confident	11 Å²	11	63.4 Å²	63.4	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.4	-179.5	0	0	0	0	0	110.2	K88 A134 D135	K88-A119 HydrophobicContact CB-CB 4.43Å; K88-A119 PolarHBondContact N-O 3Å; K88-A119 PolarHBondContact O-N 3.32Å; A119-A134 HydrophobicContact CB-CB 3.96Å; A119-D135 CarbonylContact C-O 3.47Å; A119-D135 WeakPolarHBondContact CA-O 3.1Å; A119-D135 WeakPolarHBondContact CB-O 3.04Å
120	C	94.6	Very high	77.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	149.3	179.1	-75.4	0	0	0	0	110.4	W45 W83 A134 D135 C137	W45-C120 HydrophobicContact CB-CB 3.95Å; W45-C120 VanDerWaalsContact CB-SG 3.53Å; W45-C120 VanDerWaalsContact CD1-CB 3.47Å; W45-C120 HydrophobicContact CG-CB 3.74Å; W83-C120 HydrophobicContact CE3-CB 4.01Å; W83-C120 HydrophobicContact CH2-CB 3.97Å; W83-C120 HydrophobicContact CZ3-CB 3.62Å; W83-C120 WeakPolarHBondContact CZ3-O 3.45Å; C120-A134 VanDerWaalsContact O-CA 3.28Å; C120-A134 WeakPolarHBondContact O-CA 3.45Å; C120-D135 PolarHBondContact N-O 3.05Å; C120-D135 PolarHBondContact O-N 3.47Å; C120-C137 HydrophobicContact CB-CB 3.95Å; C120-C137 WeakPolarHBondContact CB-SG 3.32Å; C120-C137 PolarHBondContact N-SG 3.07Å; C120-C137 WeakPolarHBondContact SG-CB 3.32Å; C120-C137 CovalentContact SG-SG 2.04Å; C120-C137 PolarHBondContact SG-SG 2.89Å
121	L	94.4	Very high	77.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.4	-175.8	-81.3	63.8	0	0	0	112.3	I84 V86 K88 L95 F109 V111 T133 A134	I84-L121 HydrophobicContact CD1-CB 4.11Å; I84-L121 HydrophobicContact CG1-CB 3.98Å; I84-L121 WeakPolarHBondContact CG1-O 3.29Å; I84-L121 PolarHBondContact N-O 3.19Å; V86-L121 HydrophobicContact CB-CB 4.26Å; V86-L121 HydrophobicContact CB-CD2 4.04Å; V86-L121 HydrophobicContact CG1-CD2 3.82Å; V86-L121 WeakPolarHBondContact O-CB 3.41Å; V86-L121 PolarHBondContact O-N 2.66Å; K88-L121 HydrophobicContact CB-CD1 3.98Å; L95-L121 HydrophobicContact CD2-CD1 4.13Å; L95-L121 HydrophobicContact CD2-CD2 3.89Å; F109-L121 HydrophobicContact CE2-CD2 3.58Å; F109-L121 HydrophobicContact CZ-CD2 3.75Å; V111-L121 HydrophobicContact CG2-CD2 4.09Å; V111-L121 HydrophobicContact CG2-CG 4.47Å; L121-T133 WeakPolarHBondContact CA-O 3.1Å; L121-A134 HydrophobicContact CD1-CB 4.16Å
122	Y	94.1	Very high	78.4	Confident	20 Å²	20	60.5 Å²	60.5	8%	0.078	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.7	174	69.8	-90.2	0	0	0	111.1	Q81 P82 W83 D124 Y132 T133 D135	Q81-Y122 HydrophobicContact CB-CD2 3.7Å; Q81-Y122 HydrophobicContact CB-CE2 3.83Å; Q81-Y122 HydrophobicContact CG-CD2 4.33Å; Q81-Y122 HydrophobicContact CG-CE2 4.05Å; P82-Y122 CarbonylContact O-C 3.42Å; P82-Y122 WeakPolarHBondContact O-CA 3.22Å; P82-Y122 WeakPolarHBondContact O-CB 3.49Å; W83-Y122 HydrophobicContact CZ3-CD1 4.09Å; Y122-D124 HydrophobicContact CD2-CB 4.45Å; Y122-D124 HydrophobicContact CE2-CB 3.93Å; Y122-Y132 WeakPolarHBondContact O-CA 3.25Å; Y122-T133 VanDerWaalsContact CD1-O 3.25Å; Y122-T133 WeakPolarHBondContact CD1-O 3.48Å; Y122-T133 HydrophobicContact CE1-CG2 3.72Å; Y122-T133 HydrophobicContact CE2-CG2 4.42Å; Y122-T133 VanDerWaalsContact CZ-CB 3.47Å; Y122-T133 PolarHBondContact N-O 2.04Å; Y122-T133 PolarHBondContact O-N 3.31Å; Y122-T133 VanDerWaalsContact OH-CG2 3.27Å; Y122-T133 WeakPolarHBondContact OH-CG2 3.37Å; Y122-D135 HydrophobicContact CD1-CB 4.02Å; Y122-D135 HydrophobicContact CE1-CB 3.73Å
123	V	92.1	Very high	79.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.1	170.9	-168.2	0	0	0	0	109	I62 Q81 P82 I84 F125 Y132	I62-V123 HydrophobicContact CD1-CG2 4.42Å; Q81-V123 CarbonylContact C-O 3.59Å; Q81-V123 WeakPolarHBondContact CA-O 3.36Å; P82-V123 WeakPolarHBondContact CD-O 3.32Å; P82-V123 HydrophobicContact CG-CB 4.48Å; P82-V123 PolarHBondContact O-N 2.93Å; I84-V123 HydrophobicContact CG2-CG2 3.63Å; V123-F125 HydrophobicContact CB-CE1 4.17Å; V123-F125 HydrophobicContact CB-CZ 4.22Å; V123-F125 HydrophobicContact CG1-CD1 3.77Å; V123-F125 HydrophobicContact CG1-CE1 3.47Å; V123-F125 VanDerWaalsContact CG1-CE1 3.47Å; V123-F125 HydrophobicContact CG1-CZ 4.02Å; V123-Y132 HydrophobicContact CG2-CD1 4.06Å; V123-Y132 HydrophobicContact CG2-CE1 4.02Å
124	D	88.5	Confident	80.9	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.053	31%	0.305	C	S	.	.			trans	-99.1	88.6	175.5	-165.3	-6.6	0	0	0	112.6	Q81 Y122 K126 H127	Q81-D124 WeakPolarHBondContact CG-OD1 3.48Å; Q81-D124 PolarHBondContact NE2-OD1 3.18Å; Q81-D124 PolarHBondContact NE2-OD2 3.38Å; Q81-D124 VanDerWaalsContact NE2-OD2 3.13Å; Y122-D124 HydrophobicContact CD2-CB 4.45Å; Y122-D124 HydrophobicContact CE2-CB 3.93Å; D124-K126 PolarHBondContact O-N 3.12Å; D124-K126 WeakPolarHBondContact OD1-CB 3.48Å; D124-K126 PolarHBondContact OD1-N 2.88Å; D124-H127 PolarHBondContact O-N 2.78Å; D124-H127 IonicContact OD1-ND1 3.8Å; D124-H127 IonicContact OD2-CE1 3.48Å; D124-H127 IonicContact OD2-CG 2.95Å; D124-H127 IonicContact OD2-ND1 2.66Å; D124-H127 PolarHBondContact OD2-ND1 3.48Å
125	F	87.2	Confident	82.3	Confident	27 Å²	27	54 Å²	54	12%	0.118	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-2.7	177.9	-61.5	-48.9	0	0	0	114.9	M36 V71 V72 F75 A76 E80 P82 V123 I144	M36-F125 HydrophobicContact CE-CE2 3.88Å; V71-F125 HydrophobicContact CG1-CZ 4.12Å; V72-F125 HydrophobicContact CG2-CE1 4.01Å; F75-F125 HydrophobicContact CB-CE2 3.83Å; F75-F125 HydrophobicContact CB-CZ 3.91Å; A76-F125 HydrophobicContact CB-CB 4.14Å; A76-F125 HydrophobicContact CB-CD1 3.73Å; A76-F125 HydrophobicContact CB-CE1 4.27Å; A76-F125 HydrophobicContact CB-CG 3.97Å; E80-F125 WeakPolarHBondContact O-CD2 3.29Å; P82-F125 HydrophobicContact CG-CD2 4.35Å; P82-F125 HydrophobicContact CG-CE2 3.65Å; P82-F125 HydrophobicContact CG-CZ 4.29Å; V123-F125 HydrophobicContact CB-CE1 4.17Å; V123-F125 HydrophobicContact CB-CZ 4.22Å; V123-F125 HydrophobicContact CG1-CD1 3.77Å; V123-F125 HydrophobicContact CG1-CE1 3.47Å; V123-F125 VanDerWaalsContact CG1-CE1 3.47Å; V123-F125 HydrophobicContact CG1-CZ 4.02Å; F125-I144 HydrophobicContact CZ-CD1 4.3Å
126	K	80.4	Confident	83.5	Confident	124 Å²	124	55 Å²	55	54%	0.539	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-24.6	175.6	-57.1	177.5	-167.7	152.1	0	112.7	K79 D124	K79-K126 VanDerWaalsContact O-CE 3.23Å; K79-K126 WeakPolarHBondContact O-CE 3.47Å; D124-K126 PolarHBondContact O-N 3.12Å; D124-K126 WeakPolarHBondContact OD1-CB 3.48Å; D124-K126 PolarHBondContact OD1-N 2.88Å
127	H	72.1	Confident	84.4	Confident	124 Å²	124	50.9 Å²	50.9	57%	0.574	26%	0.256	S	S	*	.	S	Bend	trans	-104.6	122	-177.4	-67.7	107.6	0	0	0	110.1	D124 Y129	D124-H127 PolarHBondContact O-N 2.78Å; D124-H127 IonicContact OD1-ND1 3.8Å; D124-H127 IonicContact OD2-CE1 3.48Å; D124-H127 IonicContact OD2-CG 2.95Å; D124-H127 IonicContact OD2-ND1 2.66Å; D124-H127 PolarHBondContact OD2-ND1 3.48Å; H127-Y129 VanDerWaalsContact C-N 3.27Å; H127-Y129 PolarHBondContact O-N 2.04Å
128	S	58.3	Low	84.8	Confident	122 Å²	122	50 Å²	50	85%	0.853	25%	0.25	S	C	*	.	S	Bend	trans	-85.2	52.5	-167	63	0	0	0	0	114
129	Y	59.6	Low	85	Confident	163 Å²	163	51.1 Å²	51.1	64%	0.639	26%	0.259	S	S	*	.	S	Bend	trans	-156.2	167.1	163.1	-132.9	-103.7	0	0	0	110.7	H127 T131	H127-Y129 VanDerWaalsContact C-N 3.27Å; H127-Y129 PolarHBondContact O-N 2.04Å; Y129-T131 PolarHBondContact O-N 2.95Å; Y129-T131 PolarHBondContact O-OG1 3.03Å
130	Y	62	Low	85	Confident	87 Å²	87	55.4 Å²	55.4	34%	0.341	28%	0.275	S	S	.	.	S	Bend	trans	-63.3	83	-171.4	-53.5	-96.8	0	0	0	114	Y68 W105	Y68-Y130 AromaticContact CD1-CD1 3.61Å; Y68-Y130 HydrophobicContact CD1-CD1 3.61Å; Y68-Y130 AromaticContact CD1-CE1 3.77Å; Y68-Y130 HydrophobicContact CD1-CE1 3.77Å; Y68-Y130 AromaticContact CE1-CD1 3.27Å; Y68-Y130 HydrophobicContact CE1-CD1 3.27Å; Y68-Y130 AromaticContact CE1-CE1 3.71Å; Y68-Y130 HydrophobicContact CE1-CE1 3.71Å; Y68-Y130 HydrophobicContact CE1-CG 4.24Å; Y68-Y130 HydrophobicContact CG-CD1 4.44Å; Y68-Y130 AromaticContact CZ-CD1 3.89Å; W105-Y130 HydrophobicContact CH2-CD1 4.19Å; W105-Y130 HydrophobicContact CH2-CE1 4.2Å; W105-Y130 HydrophobicContact CZ3-CD1 4.14Å; W105-Y130 HydrophobicContact CZ3-CE1 4.38Å
131	T	76	Confident	85	Confident	56 Å²	56	57.2 Å²	57.2	34%	0.344	28%	0.282	S	S	.	.			trans	-129.9	114	-177.3	48.8	0	0	0	0	113.1	Y129	Y129-T131 PolarHBondContact O-N 2.95Å; Y129-T131 PolarHBondContact O-OG1 3.03Å
132	Y	89.1	Confident	85.1	Confident	7 Å²	7	57.3 Å²	57.3	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.9	154.4	-53.7	-59	0	0	0	108.6	I62 Y68 I84 W105 F109 Y122 V123	I62-Y132 WeakPolarHBondContact CB-OH 3.28Å; I62-Y132 HydrophobicContact CD1-CE1 4.1Å; I62-Y132 WeakPolarHBondContact CG2-OH 3.35Å; Y68-Y132 HydrophobicContact CD2-CE1 4.32Å; Y68-Y132 WeakPolarHBondContact CD2-OH 3.23Å; Y68-Y132 HydrophobicContact CE2-CE1 4.02Å; I84-Y132 HydrophobicContact CD1-CD1 3.44Å; I84-Y132 VanDerWaalsContact CD1-CD1 3.44Å; I84-Y132 HydrophobicContact CD1-CE1 3.64Å; I84-Y132 HydrophobicContact CD1-CG 4Å; W105-Y132 VanDerWaalsContact O-CE2 3.23Å; W105-Y132 WeakPolarHBondContact O-CE2 3.02Å; W105-Y132 PolarHBondContact O-OH 3.4Å; F109-Y132 HydrophobicContact CD1-CD2 4.07Å; F109-Y132 HydrophobicContact CD1-CE2 4.43Å; F109-Y132 AromaticContact CD2-CD2 3.71Å; F109-Y132 HydrophobicContact CD2-CD2 3.71Å; F109-Y132 HydrophobicContact CD2-CG 4.37Å; F109-Y132 AromaticContact CE1-CD2 3.9Å; F109-Y132 HydrophobicContact CE1-CD2 3.9Å; F109-Y132 HydrophobicContact CE1-CE2 4.23Å; F109-Y132 AromaticContact CE2-CD2 3.5Å; F109-Y132 HydrophobicContact CE2-CD2 3.5Å; F109-Y132 HydrophobicContact CE2-CG 4.07Å; F109-Y132 AromaticContact CG-CD2 3.97Å; F109-Y132 HydrophobicContact CG-CD2 3.97Å; F109-Y132 AromaticContact CZ-CD2 3.59Å; F109-Y132 HydrophobicContact CZ-CD2 3.59Å; F109-Y132 HydrophobicContact CZ-CE2 4.28Å; F109-Y132 HydrophobicContact CZ-CG 4.44Å; Y122-Y132 WeakPolarHBondContact O-CA 3.25Å; V123-Y132 HydrophobicContact CG2-CD1 4.06Å; V123-Y132 HydrophobicContact CG2-CE1 4.02Å
133	T	90.6	Very high	85.2	Confident	47 Å²	47	56.4 Å²	56.4	29%	0.288	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	152.8	176.7	-55	0	0	0	0	108.8	L121 Y122	L121-T133 WeakPolarHBondContact CA-O 3.1Å; Y122-T133 VanDerWaalsContact CD1-O 3.25Å; Y122-T133 WeakPolarHBondContact CD1-O 3.48Å; Y122-T133 HydrophobicContact CE1-CG2 3.72Å; Y122-T133 HydrophobicContact CE2-CG2 4.42Å; Y122-T133 VanDerWaalsContact CZ-CB 3.47Å; Y122-T133 PolarHBondContact N-O 2.04Å; Y122-T133 PolarHBondContact O-N 3.31Å; Y122-T133 VanDerWaalsContact OH-CG2 3.27Å; Y122-T133 WeakPolarHBondContact OH-CG2 3.37Å
134	A	90.9	Very high	85.4	Confident	31 Å²	31	56.4 Å²	56.4	26%	0.256	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.3	176.7	0	0	0	0	0	111.9	V111 A119 C120 L121	V111-A134 HydrophobicContact CG1-CB 3.42Å; V111-A134 VanDerWaalsContact CG1-CB 3.42Å; A119-A134 HydrophobicContact CB-CB 3.96Å; C120-A134 VanDerWaalsContact O-CA 3.28Å; C120-A134 WeakPolarHBondContact O-CA 3.45Å; L121-A134 HydrophobicContact CD1-CB 4.16Å
135	D	91.3	Very high	85.8	Confident	41 Å²	41	56 Å²	56	22%	0.219	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	168.4	180	178.6	20.6	0	0	0	109	W83 A119 C120 Y122 C137 S139 R141	W83-D135 HydrophobicContact CH2-CB 3.92Å; W83-D135 HydrophobicContact CZ3-CB 4.28Å; A119-D135 CarbonylContact C-O 3.47Å; A119-D135 WeakPolarHBondContact CA-O 3.1Å; A119-D135 WeakPolarHBondContact CB-O 3.04Å; C120-D135 PolarHBondContact N-O 3.05Å; C120-D135 PolarHBondContact O-N 3.47Å; Y122-D135 HydrophobicContact CD1-CB 4.02Å; Y122-D135 HydrophobicContact CE1-CB 3.73Å; D135-C137 PolarHBondContact O-N 2.97Å; D135-S139 VanDerWaalsContact CG-OG 3.26Å; D135-S139 PolarHBondContact OD1-OG 2.7Å; D135-S139 WeakPolarHBondContact OD2-CB 3.17Å; D135-S139 PolarHBondContact OD2-OG 3.49Å; D135-S139 VanDerWaalsContact OD2-OG 3.1Å; D135-R141 IonicContact OD2-CZ 2.78Å; D135-R141 IonicContact OD2-NE 3.92Å; D135-R141 PolarHBondContact OD2-NE 3.36Å; D135-R141 IonicContact OD2-NH2 3.51Å; D135-R141 PolarHBondContact OD2-NH2 3.37Å
136	D	91.8	Very high	86.2	Confident	70 Å²	70	55 Å²	55	37%	0.374	27%	0.273	S	S	.	.			trans	-59.2	132.3	175.6	-163.5	-56.3	0	0	0	110.2	W83 W138 S139	W83-D136 VanDerWaalsContact CH2-O 3.29Å; W83-D136 WeakPolarHBondContact CH2-O 3.44Å; D136-W138 PolarHBondContact O-N 2.82Å; D136-W138 VanDerWaalsContact O-N 3.07Å; D136-W138 WeakPolarHBondContact OD1-CB 3.5Å; D136-W138 PolarHBondContact OD1-N 3.1Å; D136-S139 WeakPolarHBondContact O-CB 3.37Å; D136-S139 PolarHBondContact O-N 2.88Å; D136-S139 PolarHBondContact O-OG 2.88Å
137	C	94.2	Very high	86.9	Confident	2 Å²	2	51 Å²	51	1%	0.014	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.1	-179.1	-63.3	0	0	0	0	113.5	T44 W45 L118 C120 D135 I162	T44-C137 WeakPolarHBondContact CB-O 3.16Å; W45-C137 HydrophobicContact CB-CB 4.3Å; W45-C137 PolarHBondContact N-O 2.87Å; L118-C137 VanDerWaalsContact CD2-SG 3.5Å; C120-C137 HydrophobicContact CB-CB 3.95Å; C120-C137 WeakPolarHBondContact CB-SG 3.32Å; C120-C137 PolarHBondContact N-SG 3.07Å; C120-C137 WeakPolarHBondContact SG-CB 3.32Å; C120-C137 CovalentContact SG-SG 2.04Å; C120-C137 PolarHBondContact SG-SG 2.89Å; D135-C137 PolarHBondContact O-N 2.97Å; C137-I162 HydrophobicContact CB-CG2 3.64Å
138	W	92.5	Very high	88	Confident	95 Å²	95	47.2 Å²	47.2	36%	0.36	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	175.2	-56.6	103.6	0	0	0	113.8	T44 D136 Y163 T166	T44-W138 HydrophobicContact CG2-CE3 4.25Å; D136-W138 PolarHBondContact O-N 2.82Å; D136-W138 VanDerWaalsContact O-N 3.07Å; D136-W138 WeakPolarHBondContact OD1-CB 3.5Å; D136-W138 PolarHBondContact OD1-N 3.1Å; W138-Y163 AromaticContact CH2-CD1 3.82Å; W138-Y163 HydrophobicContact CH2-CD1 3.82Å; W138-Y163 AromaticContact CH2-CE1 3.95Å; W138-Y163 HydrophobicContact CH2-CE1 3.95Å; W138-Y163 HydrophobicContact CZ2-CD1 4.15Å; W138-T166 HydrophobicContact CZ2-CG2 4.35Å; W138-T166 VanDerWaalsContact CZ2-OG1 3.23Å; W138-T166 WeakPolarHBondContact CZ2-OG1 3.24Å; W138-T166 PolarHBondContact NE1-OG1 3.14Å
139	S	92.9	Very high	89.6	Confident	37 Å²	37	44.1 Å²	44.1	26%	0.259	21%	0.211	S	C	.	.	S	Bend	trans	-61.8	148.6	165.1	-69.3	0	0	0	0	110.3	T44 W83 D135 D136	T44-S139 WeakPolarHBondContact CA-O 3.45Å; W83-S139 VanDerWaalsContact CZ2-O 3.32Å; W83-S139 WeakPolarHBondContact CZ2-O 3.42Å; D135-S139 VanDerWaalsContact CG-OG 3.26Å; D135-S139 PolarHBondContact OD1-OG 2.7Å; D135-S139 WeakPolarHBondContact OD2-CB 3.17Å; D135-S139 PolarHBondContact OD2-OG 3.49Å; D135-S139 VanDerWaalsContact OD2-OG 3.1Å; D136-S139 WeakPolarHBondContact O-CB 3.37Å; D136-S139 PolarHBondContact O-N 2.88Å; D136-S139 PolarHBondContact O-OG 2.88Å
140	K	93.7	Very high	91	Very high	100 Å²	100	40 Å²	40	44%	0.435	20%	0.2	S	C	.	.			trans	-106	125.6	-175.4	-77.7	-176.3	162.4	-71	0	110.9	Q42 F43 T44 E47	Q42-K140 HydrophobicContact CB-CB 3.65Å; Q42-K140 VanDerWaalsContact O-CD 3.3Å; Q42-K140 WeakPolarHBondContact O-CD 3.49Å; Q42-K140 WeakPolarHBondContact O-CG 3.45Å; Q42-K140 PolarHBondContact O-NZ 3.37Å; F43-K140 WeakPolarHBondContact O-CA 3.44Å; T44-K140 HydrophobicContact CG2-CG 4.02Å; E47-K140 VanDerWaalsContact CD-NZ 3.32Å; E47-K140 IonicContact OE1-NZ 2.78Å; E47-K140 PolarHBondContact OE1-NZ 3.43Å; E47-K140 VanDerWaalsContact OE1-NZ 3.13Å; E47-K140 IonicContact OE2-NZ 3.82Å; E47-K140 PolarHBondContact OE2-NZ 3.49Å
141	R	93.7	Very high	92.2	Very high	39 Å²	39	38.1 Å²	38.1	15%	0.147	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-142.8	171.9	-173.3	-61.5	-179	170.5	-89.2	-5	111.5	F43 Q81 W83 D135	F43-R141 PolarHBondContact N-O 3.46Å; F43-R141 PolarHBondContact O-N 3.45Å; Q81-R141 WeakPolarHBondContact O-CD 3.44Å; W83-R141 HydrophobicContact CD2-CB 4.34Å; W83-R141 HydrophobicContact CD2-CG 4.49Å; W83-R141 HydrophobicContact CG-CB 4.32Å; W83-R141 HydrophobicContact CZ2-CG 4.09Å; D135-R141 IonicContact OD2-CZ 2.78Å; D135-R141 IonicContact OD2-NE 3.92Å; D135-R141 PolarHBondContact OD2-NE 3.36Å; D135-R141 IonicContact OD2-NH2 3.51Å; D135-R141 PolarHBondContact OD2-NH2 3.37Å
142	A	95.5	Very high	93	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	21%	0.214	C	C	.	.			trans	-65.1	173.4	159	0	0	0	0	0	110.7	E37 E80 P82 W83	E37-A142 WeakPolarHBondContact O-CA 3.48Å; E37-A142 WeakPolarHBondContact O-CB 3.28Å; E80-A142 HydrophobicContact CB-CB 4.03Å; E80-A142 HydrophobicContact CG-CB 4.13Å; P82-A142 CarbonylContact C-O 3.33Å; P82-A142 VanDerWaalsContact CA-O 3.25Å; P82-A142 WeakPolarHBondContact CA-O 3.27Å; P82-A142 HydrophobicContact CB-CB 4.18Å; W83-A142 PolarHBondContact N-O 2.87Å
143	F	96.7	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	160.1	174.3	62.6	-83.3	0	0	0	113.1	M36 E37 F43 A48 H51 L59 W83 C145	M36-F143 WeakPolarHBondContact CA-O 3.33Å; E37-F143 HydrophobicContact CB-CD1 4.11Å; E37-F143 HydrophobicContact CB-CD2 4.48Å; E37-F143 HydrophobicContact CB-CE1 3.56Å; E37-F143 HydrophobicContact CB-CE2 3.99Å; E37-F143 HydrophobicContact CB-CZ 3.49Å; E37-F143 VanDerWaalsContact CB-CZ 3.49Å; E37-F143 HydrophobicContact CG-CE1 3.71Å; E37-F143 HydrophobicContact CG-CZ 3.76Å; E37-F143 PolarHBondContact N-O 2.91Å; E37-F143 PolarHBondContact O-N 3.49Å; E37-F143 VanDerWaalsContact O-N 3.07Å; F43-F143 HydrophobicContact CB-CD1 4.26Å; F43-F143 HydrophobicContact CB-CE1 4.33Å; F43-F143 AromaticContact CD2-CD1 3.88Å; F43-F143 HydrophobicContact CD2-CD1 3.88Å; F43-F143 AromaticContact CD2-CE1 3.41Å; F43-F143 HydrophobicContact CD2-CE1 3.41Å; F43-F143 VanDerWaalsContact CD2-CE1 3.41Å; F43-F143 AromaticContact CE2-CE1 3.72Å; F43-F143 HydrophobicContact CE2-CE1 3.72Å; F43-F143 HydrophobicContact CG-CD1 4.31Å; F43-F143 AromaticContact CG-CE1 3.91Å; F43-F143 HydrophobicContact CG-CE1 3.91Å; F43-F143 HydrophobicContact CZ-CE1 4.47Å; A48-F143 HydrophobicContact CB-CB 3.75Å; A48-F143 HydrophobicContact CB-CD1 3.74Å; A48-F143 HydrophobicContact CB-CD2 4.05Å; A48-F143 HydrophobicContact CB-CE1 4.33Å; A48-F143 HydrophobicContact CB-CG 3.6Å; H51-F143 HydrophobicContact CB-CE2 3.99Å; H51-F143 HydrophobicContact CB-CZ 3.62Å; H51-F143 AromaticContact CG-CZ 3.7Å; L59-F143 HydrophobicContact CD2-CB 3.74Å; L59-F143 HydrophobicContact CD2-CD2 3.99Å; L59-F143 HydrophobicContact CD2-CG 4.26Å; W83-F143 HydrophobicContact CB-CB 4.07Å; F143-C145 VanDerWaalsContact CE2-SG 3.51Å
144	I	96.5	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.5	173.2	-59.7	163.4	0	0	0	109.2	Y34 R35 M36 L59 A60 V71 F75 P82 W83 F125	Y34-I144 HydrophobicContact CD1-CG2 4.12Å; R35-I144 CarbonylContact O-C 3.59Å; R35-I144 WeakPolarHBondContact O-CA 3.21Å; M36-I144 HydrophobicContact CB-CG1 4.25Å; M36-I144 HydrophobicContact CE-CD1 4.28Å; M36-I144 HydrophobicContact CE-CG1 4.07Å; L59-I144 WeakPolarHBondContact CA-O 3.44Å; A60-I144 HydrophobicContact CB-CB 4.25Å; A60-I144 HydrophobicContact CB-CG2 3.88Å; A60-I144 PolarHBondContact N-O 2.82Å; V71-I144 HydrophobicContact CG1-CD1 3.78Å; F75-I144 HydrophobicContact CD2-CD1 3.94Å; F75-I144 HydrophobicContact CD2-CG1 4.32Å; F75-I144 HydrophobicContact CE2-CD1 4.48Å; F75-I144 HydrophobicContact CE2-CG2 4.1Å; P82-I144 HydrophobicContact CB-CD1 4.13Å; P82-I144 HydrophobicContact CB-CG1 3.91Å; P82-I144 HydrophobicContact CG-CD1 3.6Å; P82-I144 HydrophobicContact CG-CG1 3.93Å; W83-I144 PolarHBondContact O-N 3.48Å; F125-I144 HydrophobicContact CZ-CD1 4.3Å
145	C	96.9	Very high	93.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	150.8	168.4	-54.4	0	0	0	0	111.8	W24 Y34 R35 C52 S57 N58 F143	W24-C145 HydrophobicContact CH2-CB 3.63Å; W24-C145 HydrophobicContact CZ3-CB 4.01Å; Y34-C145 WeakPolarHBondContact CA-O 3.28Å; R35-C145 PolarHBondContact N-O 2.77Å; R35-C145 VanDerWaalsContact N-O 3.12Å; R35-C145 PolarHBondContact O-N 2.86Å; C52-C145 WeakPolarHBondContact CA-SG 3.37Å; C52-C145 HydrophobicContact CB-CB 3.87Å; C52-C145 WeakPolarHBondContact CB-SG 3.28Å; C52-C145 VanDerWaalsContact SG-CA 3.55Å; C52-C145 WeakPolarHBondContact SG-CB 3.27Å; C52-C145 CovalentContact SG-SG 2.04Å; C52-C145 PolarHBondContact SG-SG 2.87Å; S57-C145 WeakPolarHBondContact OG-CB 3.32Å; N58-C145 CarbonylContact O-C 3.56Å; N58-C145 WeakPolarHBondContact O-CA 3.3Å; F143-C145 VanDerWaalsContact CE2-SG 3.51Å
146	E	96.5	Very high	93.9	Very high	8 Å²	8	43 Å²	43	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	168.9	77.9	177.5	-144.7	0	0	112	R32 C33 Y34 S57 N58 A60 V61	R32-E146 IonicContact CZ-OE1 3.91Å; R32-E146 IonicContact NH1-OE1 3.68Å; R32-E146 PolarHBondContact NH1-OE1 2.97Å; R32-E146 IonicContact NH1-OE2 2.81Å; R32-E146 PolarHBondContact NH1-OE2 3.27Å; R32-E146 IonicContact NH2-OE1 3.98Å; C33-E146 WeakPolarHBondContact O-CA 3.49Å; Y34-E146 HydrophobicContact CD1-CB 3.68Å; Y34-E146 HydrophobicContact CE1-CB 3.49Å; Y34-E146 VanDerWaalsContact CE1-CB 3.49Å; S57-E146 WeakPolarHBondContact CB-O 3.36Å; N58-E146 PolarHBondContact N-O 2.92Å; N58-E146 VanDerWaalsContact N-O 3.08Å; N58-E146 PolarHBondContact O-N 3.43Å; A60-E146 WeakPolarHBondContact CA-OE2 3.38Å; A60-E146 HydrophobicContact CB-CB 4.1Å; A60-E146 HydrophobicContact CB-CG 4.47Å; V61-E146 VanDerWaalsContact N-CD 3.35Å; V61-E146 PolarHBondContact N-OE2 3.08Å
147	K	95	Very high	94.1	Very high	38 Å²	38	44.6 Å²	44.6	17%	0.165	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.9	163.2	59.3	-179.4	172.2	-170.9	0	111.8	W24 R32 C33 D55 T153	W24-K147 HydrophobicContact CE3-CG 4.08Å; W24-K147 HydrophobicContact CH2-CD 4.22Å; W24-K147 HydrophobicContact CH2-CG 4.21Å; W24-K147 HydrophobicContact CZ2-CD 4.39Å; W24-K147 HydrophobicContact CZ3-CD 4.28Å; W24-K147 HydrophobicContact CZ3-CG 3.82Å; R32-K147 CarbonylContact C-O 3.59Å; R32-K147 WeakPolarHBondContact CA-O 3.39Å; C33-K147 HydrophobicContact CB-CG 3.75Å; C33-K147 PolarHBondContact N-O 3.47Å; C33-K147 PolarHBondContact O-N 2.75Å; D55-K147 PolarHBondContact O-NZ 3.35Å; K147-T153 WeakPolarHBondContact CA-OG1 3.15Å; K147-T153 HydrophobicContact CB-CG2 3.93Å; K147-T153 VanDerWaalsContact CB-OG1 3.32Å; K147-T153 WeakPolarHBondContact CB-OG1 3.32Å
148	N	94.2	Very high	94.1	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.3	170.7	-58.3	-13.4	0	0	0	109.6	N31 D150 G151 S152 T153	N31-N148 WeakPolarHBondContact O-CA 3.4Å; N148-D150 VanDerWaalsContact C-N 3.33Å; N148-D150 VanDerWaalsContact CB-OD1 3.24Å; N148-D150 WeakPolarHBondContact CB-OD1 3.42Å; N148-D150 PolarHBondContact O-N 2.85Å; N148-G151 PolarHBondContact O-N 3.4Å; N148-S152 PolarHBondContact ND2-OG 3.12Å; N148-T153 PolarHBondContact N-OG1 2.9Å
149	F	91.6	Very high	94	Very high	57 Å²	57	41.2 Å²	41.2	25%	0.25	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-36.7	-179.4	175.9	-91	0	0	0	112.6	G19 C20 V26 N31 G151	G19-F149 CarbonylContact C-O 3.6Å; G19-F149 WeakPolarHBondContact CA-O 3.34Å; G19-F149 PolarHBondContact N-O 2.99Å; C20-F149 VanDerWaalsContact SG-CD2 3.58Å; V26-F149 HydrophobicContact CG1-CD2 3.7Å; V26-F149 HydrophobicContact CG1-CE2 3.6Å; N31-F149 PolarHBondContact O-N 2.79Å; F149-G151 PolarHBondContact O-N 2.79Å; F149-G151 VanDerWaalsContact O-N 3.14Å
150	D	90.3	Very high	93.9	Very high	77 Å²	77	42.5 Å²	42.5	41%	0.412	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-1.9	175.3	57.7	32.3	0	0	0	115.2	N31 N148 S152	N31-D150 PolarHBondContact ND2-OD2 3.02Å; N148-D150 VanDerWaalsContact C-N 3.33Å; N148-D150 VanDerWaalsContact CB-OD1 3.24Å; N148-D150 WeakPolarHBondContact CB-OD1 3.42Å; N148-D150 PolarHBondContact O-N 2.85Å; D150-S152 VanDerWaalsContact C-N 3.27Å; D150-S152 PolarHBondContact O-N 2.77Å; D150-S152 WeakPolarHBondContact OD1-CB 3.22Å; D150-S152 PolarHBondContact OD1-N 2.78Å; D150-S152 PolarHBondContact OD1-OG 2.85Å
151	G	87.5	Confident	93.6	Very high	47 Å²	47	40.6 Å²	40.6	49%	0.485	24%	0.236	S	C	.	.	S	Bend	trans	77.5	0.2	-178.3	0	0	0	0	0	115.3	N148 F149 T153	N148-G151 PolarHBondContact O-N 3.4Å; F149-G151 PolarHBondContact O-N 2.79Å; F149-G151 VanDerWaalsContact O-N 3.14Å; G151-T153 PolarHBondContact O-N 3.4Å
152	S	91.9	Very high	93.3	Very high	70 Å²	70	38.8 Å²	38.8	49%	0.49	23%	0.229	S	C	.	.			trans	-71.6	19.3	-177.5	67.8	0	0	0	0	115.4	N148 D150 I154	N148-S152 PolarHBondContact ND2-OG 3.12Å; D150-S152 VanDerWaalsContact C-N 3.27Å; D150-S152 PolarHBondContact O-N 2.77Å; D150-S152 WeakPolarHBondContact OD1-CB 3.22Å; D150-S152 PolarHBondContact OD1-N 2.78Å; D150-S152 PolarHBondContact OD1-OG 2.85Å; S152-I154 PolarHBondContact O-N 3.26Å
153	T	94.1	Very high	92.8	Very high	15 Å²	15	43 Å²	43	9%	0.092	25%	0.245	C	C	.	.			trans	-77	127.6	-170.1	-55.2	0	0	0	0	111.4	K147 N148 G151 P155	K147-T153 WeakPolarHBondContact CA-OG1 3.15Å; K147-T153 HydrophobicContact CB-CG2 3.93Å; K147-T153 VanDerWaalsContact CB-OG1 3.32Å; K147-T153 WeakPolarHBondContact CB-OG1 3.32Å; N148-T153 PolarHBondContact N-OG1 2.9Å; G151-T153 PolarHBondContact O-N 3.4Å; T153-P155 WeakPolarHBondContact O-CD 3.27Å
154	I	94.6	Very high	91.7	Very high	102 Å²	102	51 Å²	51	52%	0.523	28%	0.277	S	S	.	.			trans	-95	114.5	174.7	-58.1	175.2	0	0	0	107.8	N58 S152 Y156	N58-I154 PolarHBondContact ND2-O 2.88Å; S152-I154 PolarHBondContact O-N 3.26Å; I154-Y156 WeakPolarHBondContact O-CD2 3.47Å; I154-Y156 WeakPolarHBondContact O-CE2 3.37Å
155	P	96.4	Very high	90	Very high	51 Å²	51	53.5 Å²	53.5	33%	0.331	29%	0.292	S	S	.	.			trans	-70.1	137.1	173	-16.7	32.2	0	0	0	110.7	V53 Q56 T153	V53-P155 HydrophobicContact CB-CB 4.27Å; V53-P155 HydrophobicContact CG1-CB 3.94Å; V53-P155 HydrophobicContact CG2-CB 3.97Å; Q56-P155 HydrophobicContact CG-CG 4.23Å; T153-P155 WeakPolarHBondContact O-CD 3.27Å
156	Y	96.7	Very high	87.9	Confident	47 Å²	47	55.2 Å²	55.2	18%	0.184	30%	0.302	C	S	.	.			trans	-106.6	144.6	179.2	-67.3	-77.1	0	0	0	111.5	Q49 V53 N58 N99 I154	Q49-Y156 PolarHBondContact NE2-O 2.99Å; V53-Y156 VanDerWaalsContact CG2-O 3.3Å; V53-Y156 WeakPolarHBondContact CG2-O 3.41Å; N58-Y156 WeakPolarHBondContact OD1-CD2 3.46Å; N58-Y156 PolarHBondContact OD1-N 3Å; N99-Y156 HydrophobicContact CB-CD2 4.11Å; N99-Y156 HydrophobicContact CB-CE2 3.58Å; N99-Y156 PolarHBondContact OD1-OH 2.8Å; I154-Y156 WeakPolarHBondContact O-CD2 3.47Å; I154-Y156 WeakPolarHBondContact O-CE2 3.37Å
157	S	94.7	Very high	85.7	Confident	102 Å²	102	60.9 Å²	60.9	71%	0.713	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-72.3	149.3	172.7	57.6	0	0	0	0	111.9	I98	I98-S157 WeakPolarHBondContact CD1-O 3.23Å
158	V	94.5	Very high	83.5	Confident	20 Å²	20	67.5 Å²	67.5	12%	0.121	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-51	130.2	168.1	178.2	0	0	0	0	110.1	W45 T46 Q49 Q50 I162 Y163	W45-V158 HydrophobicContact CZ3-CG1 4.29Å; T46-V158 HydrophobicContact CG2-CG1 3.63Å; Q49-V158 HydrophobicContact CB-CG2 4.1Å; Q49-V158 HydrophobicContact CG-CG2 4.05Å; Q50-V158 HydrophobicContact CG-CG2 4.31Å; V158-I162 HydrophobicContact CG1-CD1 4.14Å; V158-Y163 HydrophobicContact CB-CE2 4.09Å; V158-Y163 HydrophobicContact CG1-CD2 4.48Å; V158-Y163 HydrophobicContact CG1-CE2 3.56Å
159	P	91.3	Very high	81.3	Confident	7 Å²	7	68.9 Å²	68.9	5%	0.045	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61	130.4	176.3	-23.1	34	0	0	0	111.6	W45 I98 E161 I162	W45-P159 HydrophobicContact CH2-CG 4.27Å; W45-P159 HydrophobicContact CZ3-CG 4.46Å; I98-P159 HydrophobicContact CD1-CG 4.49Å; P159-E161 WeakPolarHBondContact CB-OE2 3.29Å; P159-E161 PolarHBondContact O-N 3.02Å; P159-E161 VanDerWaalsContact O-N 3.15Å; P159-I162 HydrophobicContact CB-CD1 4.41Å; P159-I162 HydrophobicContact CB-CG1 4.41Å; P159-I162 HydrophobicContact CG-CD1 4.31Å; P159-I162 PolarHBondContact O-N 2.85Å
160	P	89.3	Confident	79	Confident	63 Å²	63	69.7 Å²	69.7	41%	0.409	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.9	-174.1	26.5	-35.7	0	0	0	113.4	I162 Y163 Y164	P160-I162 PolarHBondContact O-N 3.35Å; P160-Y163 PolarHBondContact O-N 2.94Å; P160-Y163 VanDerWaalsContact O-N 3.08Å; P160-Y164 HydrophobicContact CB-CE2 4.18Å; P160-Y164 VanDerWaalsContact O-CD2 3.27Å; P160-Y164 WeakPolarHBondContact O-CD2 3.12Å
161	E	87.4	Confident	76.9	Confident	61 Å²	61	73.1 Å²	73.1	29%	0.285	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-64.1	-22	-179	-53.8	84.4	172.4	0	0	113.1	M89 R96 L118 P159 Y163	M89-E161 HydrophobicContact CE-CB 4.16Å; M89-E161 HydrophobicContact CE-CG 3.99Å; R96-E161 IonicContact CZ-OE1 3.44Å; R96-E161 IonicContact CZ-OE2 3.99Å; R96-E161 IonicContact NH1-OE1 2.88Å; R96-E161 PolarHBondContact NH1-OE1 3.24Å; R96-E161 IonicContact NH1-OE2 3.12Å; R96-E161 PolarHBondContact NH1-OE2 3.25Å; L118-E161 HydrophobicContact CD1-CB 4.06Å; P159-E161 WeakPolarHBondContact CB-OE2 3.29Å; P159-E161 PolarHBondContact O-N 3.02Å; P159-E161 VanDerWaalsContact O-N 3.15Å; E161-Y163 VanDerWaalsContact C-N 3.33Å
162	I	88	Confident	75.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-71.5	-29.3	176	-52.7	179.6	0	0	0	111.4	W45 T46 V87 L118 C137 V158 P159 P160 T165	W45-I162 HydrophobicContact CD2-CD1 4.2Å; W45-I162 HydrophobicContact CE3-CD1 3.4Å; W45-I162 VanDerWaalsContact CE3-CD1 3.4Å; W45-I162 HydrophobicContact CH2-CD1 4.16Å; W45-I162 HydrophobicContact CZ3-CD1 3.41Å; W45-I162 VanDerWaalsContact CZ3-CD1 3.41Å; T46-I162 HydrophobicContact CG2-CB 4.34Å; T46-I162 HydrophobicContact CG2-CD1 4.49Å; T46-I162 HydrophobicContact CG2-CG2 3.64Å; V87-I162 HydrophobicContact CG2-CD1 3.96Å; L118-I162 HydrophobicContact CD2-CG1 4.29Å; L118-I162 HydrophobicContact CD2-CG2 4.48Å; C137-I162 HydrophobicContact CB-CG2 3.64Å; V158-I162 HydrophobicContact CG1-CD1 4.14Å; P159-I162 HydrophobicContact CB-CD1 4.41Å; P159-I162 HydrophobicContact CB-CG1 4.41Å; P159-I162 HydrophobicContact CG-CD1 4.31Å; P159-I162 PolarHBondContact O-N 2.85Å; P160-I162 PolarHBondContact O-N 3.35Å; I162-T165 PolarHBondContact O-OG1 3.41Å
163	Y	85.6	Confident	73.6	Confident	90 Å²	90	75.1 Å²	75.1	35%	0.353	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-26.4	179.9	-64.2	-70.9	0	0	0	113.1	T46 W138 V158 P160 E161 T166	T46-Y163 HydrophobicContact CG2-CE1 4.3Å; W138-Y163 AromaticContact CH2-CD1 3.82Å; W138-Y163 HydrophobicContact CH2-CD1 3.82Å; W138-Y163 AromaticContact CH2-CE1 3.95Å; W138-Y163 HydrophobicContact CH2-CE1 3.95Å; W138-Y163 HydrophobicContact CZ2-CD1 4.15Å; V158-Y163 HydrophobicContact CB-CE2 4.09Å; V158-Y163 HydrophobicContact CG1-CD2 4.48Å; V158-Y163 HydrophobicContact CG1-CE2 3.56Å; P160-Y163 PolarHBondContact O-N 2.94Å; P160-Y163 VanDerWaalsContact O-N 3.08Å; E161-Y163 VanDerWaalsContact C-N 3.33Å; Y163-T166 PolarHBondContact O-OG1 3.16Å; Y163-T166 VanDerWaalsContact O-OG1 3.06Å
164	Y	73.7	Confident	72	Confident	170 Å²	170	79.3 Å²	79.3	67%	0.667	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.6	-177.1	-66.7	-58.9	0	0	0	114.7	P160	P160-Y164 HydrophobicContact CB-CE2 4.18Å; P160-Y164 VanDerWaalsContact O-CD2 3.27Å; P160-Y164 WeakPolarHBondContact O-CD2 3.12Å
165	T	59.9	Low	70.7	Confident	51 Å²	51	76.9 Å²	76.9	31%	0.313	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.4	176.8	52.3	0	0	0	0	113.9	L118 I162	L118-T165 HydrophobicContact CB-CG2 3.93Å; I162-T165 PolarHBondContact O-OG1 3.41Å
166	T	54	Low	69.5	Low	37 Å²	37	78.4 Å²	78.4	23%	0.227	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-65.9	-39.4	-177.9	-33.8	0	0	0	0	112.1	W138 Y163 H168 V169 A170	W138-T166 HydrophobicContact CZ2-CG2 4.35Å; W138-T166 VanDerWaalsContact CZ2-OG1 3.23Å; W138-T166 WeakPolarHBondContact CZ2-OG1 3.24Å; W138-T166 PolarHBondContact NE1-OG1 3.14Å; Y163-T166 PolarHBondContact O-OG1 3.16Å; Y163-T166 VanDerWaalsContact O-OG1 3.06Å; T166-H168 PolarHBondContact O-N 2.63Å; T166-V169 PolarHBondContact O-N 3.38Å; T166-A170 HydrophobicContact CG2-CB 3.84Å; T166-A170 WeakPolarHBondContact O-CB 3.23Å; T166-A170 PolarHBondContact O-N 3.19Å; T166-A170 VanDerWaalsContact O-N 3.1Å
167	D	49	Very low	68.5	Low	127 Å²	127	78.7 Å²	78.7	68%	0.679	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-69.6	-1.9	-169.5	-66.3	-15	0	0	0	115.2
168	H	48.2	Very low	67.9	Low	177 Å²	177	79.2 Å²	79.2	82%	0.819	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-123.3	3	177.6	-73.3	-11.1	0	0	0	114.5	T166	T166-H168 PolarHBondContact O-N 2.63Å
169	V	48.1	Very low	67.5	Low	75 Å²	75	81.4 Å²	81.4	46%	0.455	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-34.6	-178.9	-172	0	0	0	0	113.1	T166 E171 S172	T166-V169 PolarHBondContact O-N 3.38Å; V169-E171 PolarHBondContact O-N 3.13Å; V169-S172 WeakPolarHBondContact O-CB 3.42Å; V169-S172 PolarHBondContact O-N 3.45Å; V169-S172 VanDerWaalsContact O-N 3.08Å
170	A	44.9	Very low	67.3	Low	75 Å²	75	85.6 Å²	85.6	62%	0.62	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.8	-164.1	0	0	0	0	0	116.4	T166	T166-A170 HydrophobicContact CG2-CB 3.84Å; T166-A170 WeakPolarHBondContact O-CB 3.23Å; T166-A170 PolarHBondContact O-N 3.19Å; T166-A170 VanDerWaalsContact O-N 3.1Å
171	E	45.9	Very low	67.4	Low	148 Å²	148	86.3 Å²	86.3	69%	0.692	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-11.9	173.5	-79.2	-163.9	101.6	0	0	114.1	V169 S173 S175	V169-E171 PolarHBondContact O-N 3.13Å; E171-S173 PolarHBondContact O-N 2.76Å; E171-S175 WeakPolarHBondContact O-CB 3.46Å; E171-S175 PolarHBondContact O-N 3.11Å
172	S	52.3	Low	67.7	Low	61 Å²	61	87.2 Å²	87.2	43%	0.427	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.7	-153.7	-163	0	0	0	0	115.5	V169 I176	V169-S172 WeakPolarHBondContact O-CB 3.42Å; V169-S172 PolarHBondContact O-N 3.45Å; V169-S172 VanDerWaalsContact O-N 3.08Å; S172-I176 VanDerWaalsContact O-CB 3.24Å; S172-I176 WeakPolarHBondContact O-CB 3.49Å; S172-I176 VanDerWaalsContact O-CD1 3.23Å; S172-I176 WeakPolarHBondContact O-CD1 3.5Å; S172-I176 WeakPolarHBondContact O-CG1 3.39Å
173	S	57.7	Low	68	Low	99 Å²	99	91.5 Å²	91.5	69%	0.692	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-55.9	-171.9	-56.1	0	0	0	0	113.4	E171 A177	E171-S173 PolarHBondContact O-N 2.76Å; S173-A177 WeakPolarHBondContact O-CB 3.19Å; S173-A177 PolarHBondContact O-N 3.22Å
174	T	61.1	Low	68.4	Low	102 Å²	102	92.4 Å²	92.4	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-83.2	-37.8	-174.6	48.3	0	0	0	0	112.7	A177 L178	T174-A177 PolarHBondContact O-N 3.05Å; T174-L178 VanDerWaalsContact O-CB 3.32Å; T174-L178 WeakPolarHBondContact O-CB 3.37Å; T174-L178 VanDerWaalsContact O-CG 3.25Å; T174-L178 WeakPolarHBondContact O-CG 3.29Å; T174-L178 PolarHBondContact O-N 3.37Å
175	S	65.2	Low	69.4	Low	51 Å²	51	89.5 Å²	89.5	36%	0.357	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-38.6	177.9	-157.5	0	0	0	0	111.4	E171 S179	E171-S175 WeakPolarHBondContact O-CB 3.46Å; E171-S175 PolarHBondContact O-N 3.11Å; S175-S179 VanDerWaalsContact O-CB 3.29Å; S175-S179 WeakPolarHBondContact O-CB 3.2Å; S175-S179 PolarHBondContact O-N 3.46Å; S175-S179 PolarHBondContact O-OG 2.85Å
176	I	71.5	Confident	71.1	Confident	84 Å²	84	91.5 Å²	91.5	43%	0.431	53%	0.525	S	S	.	.	H	α-helix	trans	-69.5	-43.1	174.8	-58.1	-173.1	0	0	0	111	S172 L178 S179 L180	S172-I176 VanDerWaalsContact O-CB 3.24Å; S172-I176 WeakPolarHBondContact O-CB 3.49Å; S172-I176 VanDerWaalsContact O-CD1 3.23Å; S172-I176 WeakPolarHBondContact O-CD1 3.5Å; S172-I176 WeakPolarHBondContact O-CG1 3.39Å; I176-L178 PolarHBondContact O-N 2.53Å; I176-S179 WeakPolarHBondContact CA-OG 3.07Å; I176-S179 PolarHBondContact O-N 2.65Å; I176-S179 PolarHBondContact O-OG 2.82Å; I176-L180 HydrophobicContact CG2-CD1 3.75Å; I176-L180 HydrophobicContact CG2-CG 4.12Å; I176-L180 VanDerWaalsContact O-CB 3.28Å; I176-L180 WeakPolarHBondContact O-CB 3.01Å; I176-L180 VanDerWaalsContact O-CG 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.29Å; I176-L180 PolarHBondContact O-N 3.33Å
177	A	76.8	Confident	73.2	Confident	53 Å²	53	93.1 Å²	93.1	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-41.2	174.9	0	0	0	0	0	113	S173 T174 T181	S173-A177 WeakPolarHBondContact O-CB 3.19Å; S173-A177 PolarHBondContact O-N 3.22Å; T174-A177 PolarHBondContact O-N 3.05Å; A177-T181 WeakPolarHBondContact O-CB 3.41Å; A177-T181 WeakPolarHBondContact O-CG2 3.41Å; A177-T181 PolarHBondContact O-N 3.21Å; A177-T181 PolarHBondContact O-OG1 2.95Å
178	L	81.9	Confident	75.4	Confident	112 Å²	112	91.8 Å²	91.8	59%	0.586	52%	0.524	S	S	*	.	H	α-helix	trans	-70.8	-42.7	178	-71.8	170.4	0	0	0	112.2	T174 I176 T181 V182	T174-L178 VanDerWaalsContact O-CB 3.32Å; T174-L178 WeakPolarHBondContact O-CB 3.37Å; T174-L178 VanDerWaalsContact O-CG 3.25Å; T174-L178 WeakPolarHBondContact O-CG 3.29Å; T174-L178 PolarHBondContact O-N 3.37Å; I176-L178 PolarHBondContact O-N 2.53Å; L178-T181 WeakPolarHBondContact CA-OG1 3.43Å; L178-T181 PolarHBondContact O-N 2.9Å; L178-T181 PolarHBondContact O-OG1 2.84Å; L178-T181 VanDerWaalsContact O-OG1 3.07Å; L178-V182 WeakPolarHBondContact O-CB 3.25Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 3.07Å
179	S	85.1	Confident	77.7	Confident	66 Å²	66	88.6 Å²	88.6	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-67.6	-38.6	176.9	56.6	0	0	0	0	112.6	S175 I176 L183	S175-S179 VanDerWaalsContact O-CB 3.29Å; S175-S179 WeakPolarHBondContact O-CB 3.2Å; S175-S179 PolarHBondContact O-N 3.46Å; S175-S179 PolarHBondContact O-OG 2.85Å; I176-S179 WeakPolarHBondContact CA-OG 3.07Å; I176-S179 PolarHBondContact O-N 2.65Å; I176-S179 PolarHBondContact O-OG 2.82Å; S179-L183 WeakPolarHBondContact O-CB 3.35Å; S179-L183 PolarHBondContact O-N 3.45Å
180	L	88.8	Confident	80	Confident	96 Å²	96	90 Å²	90	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-66.2	-41.6	173.1	-71.4	176.3	0	0	0	112.3	I176 L183 M184	I176-L180 HydrophobicContact CG2-CD1 3.75Å; I176-L180 HydrophobicContact CG2-CG 4.12Å; I176-L180 VanDerWaalsContact O-CB 3.28Å; I176-L180 WeakPolarHBondContact O-CB 3.01Å; I176-L180 VanDerWaalsContact O-CG 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.29Å; I176-L180 PolarHBondContact O-N 3.33Å; L180-L183 PolarHBondContact O-N 2.88Å; L180-M184 WeakPolarHBondContact O-CB 3.38Å; L180-M184 VanDerWaalsContact O-CG 3.3Å; L180-M184 WeakPolarHBondContact O-CG 3.42Å; L180-M184 PolarHBondContact O-N 2.8Å
181	T	90.4	Very high	82.5	Confident	77 Å²	77	91.3 Å²	91.3	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-68.7	-39.9	177	47.4	0	0	0	0	112.3	A177 L178 M184 L185	A177-T181 WeakPolarHBondContact O-CB 3.41Å; A177-T181 WeakPolarHBondContact O-CG2 3.41Å; A177-T181 PolarHBondContact O-N 3.21Å; A177-T181 PolarHBondContact O-OG1 2.95Å; L178-T181 WeakPolarHBondContact CA-OG1 3.43Å; L178-T181 PolarHBondContact O-N 2.9Å; L178-T181 PolarHBondContact O-OG1 2.84Å; L178-T181 VanDerWaalsContact O-OG1 3.07Å; T181-M184 PolarHBondContact O-N 3.05Å; T181-L185 WeakPolarHBondContact O-CG 3.26Å; T181-L185 PolarHBondContact O-N 3.36Å
182	V	93.2	Very high	84.8	Confident	80 Å²	80	87.8 Å²	87.8	49%	0.485	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-43.9	171.6	169.2	0	0	0	0	111.3	L178 M184 L185 L186	L178-V182 WeakPolarHBondContact O-CB 3.25Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 3.07Å; V182-M184 PolarHBondContact O-N 3.14Å; V182-L185 PolarHBondContact O-N 3.18Å; V182-L186 HydrophobicContact CG1-CD1 4.09Å; V182-L186 HydrophobicContact CG1-CG 4.47Å; V182-L186 WeakPolarHBondContact O-CG 3.33Å; V182-L186 PolarHBondContact O-N 2.89Å
183	L	94	Very high	86.9	Confident	91 Å²	91	88.3 Å²	88.3	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-44.4	176.5	179.6	60.5	0	0	0	111.7	S179 L180 L185 L186 I187	S179-L183 WeakPolarHBondContact O-CB 3.35Å; S179-L183 PolarHBondContact O-N 3.45Å; L180-L183 PolarHBondContact O-N 2.88Å; L183-L185 PolarHBondContact O-N 2.81Å; L183-L186 PolarHBondContact O-N 2.8Å; L183-I187 HydrophobicContact CD1-CD1 4.03Å; L183-I187 HydrophobicContact CD1-CG1 4.32Å; L183-I187 HydrophobicContact CG-CD1 3.9Å; L183-I187 WeakPolarHBondContact O-CB 3.39Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 2.93Å
184	M	94.5	Very high	88.7	Confident	109 Å²	109	87.3 Å²	87.3	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-41.1	175.4	-74.9	-64	-67.8	0	0	112.3	L180 T181 V182 I187 L188	L180-M184 WeakPolarHBondContact O-CB 3.38Å; L180-M184 VanDerWaalsContact O-CG 3.3Å; L180-M184 WeakPolarHBondContact O-CG 3.42Å; L180-M184 PolarHBondContact O-N 2.8Å; T181-M184 PolarHBondContact O-N 3.05Å; V182-M184 PolarHBondContact O-N 3.14Å; M184-I187 PolarHBondContact O-N 2.85Å; M184-L188 WeakPolarHBondContact O-CB 3.4Å; M184-L188 VanDerWaalsContact O-CG 3.27Å; M184-L188 WeakPolarHBondContact O-CG 3.31Å; M184-L188 PolarHBondContact O-N 2.03Å
185	L	95.7	Very high	90.3	Very high	108 Å²	108	84.3 Å²	84.3	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-64.1	-42.2	174.8	-71.7	171.1	0	0	0	112	T181 V182 L183 L188 L189	T181-L185 WeakPolarHBondContact O-CG 3.26Å; T181-L185 PolarHBondContact O-N 3.36Å; V182-L185 PolarHBondContact O-N 3.18Å; L183-L185 PolarHBondContact O-N 2.81Å; L185-L188 PolarHBondContact O-N 2.94Å; L185-L189 WeakPolarHBondContact O-CG 3.41Å; L185-L189 PolarHBondContact O-N 2.57Å
186	L	95.9	Very high	91.8	Very high	93 Å²	93	88.4 Å²	88.4	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-43.2	175.2	-70.7	173	0	0	0	111.9	V182 L183 L188 L189 I190	V182-L186 HydrophobicContact CG1-CD1 4.09Å; V182-L186 HydrophobicContact CG1-CG 4.47Å; V182-L186 WeakPolarHBondContact O-CG 3.33Å; V182-L186 PolarHBondContact O-N 2.89Å; L183-L186 PolarHBondContact O-N 2.8Å; L186-L188 PolarHBondContact O-N 2.78Å; L186-L189 PolarHBondContact O-N 2.83Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 3.19Å
187	I	96.6	Very high	92.9	Very high	72 Å²	72	90.6 Å²	90.6	37%	0.369	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175.3	-70.8	167.4	0	0	0	110.7	L183 M184 L189 I190 I191	L183-I187 HydrophobicContact CD1-CD1 4.03Å; L183-I187 HydrophobicContact CD1-CG1 4.32Å; L183-I187 HydrophobicContact CG-CD1 3.9Å; L183-I187 WeakPolarHBondContact O-CB 3.39Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 2.93Å; M184-I187 PolarHBondContact O-N 2.85Å; I187-L189 PolarHBondContact O-N 3.36Å; I187-I190 PolarHBondContact O-N 3.42Å; I187-I191 HydrophobicContact CG2-CD1 3.72Å; I187-I191 HydrophobicContact CG2-CG1 4.41Å; I187-I191 VanDerWaalsContact O-CG1 3.31Å; I187-I191 WeakPolarHBondContact O-CG1 3.43Å; I187-I191 PolarHBondContact O-N 3.42Å
188	L	96.2	Very high	93.7	Very high	98 Å²	98	92.9 Å²	92.9	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-37.3	176.8	-72.7	169.9	0	0	0	112.6	M184 L185 L186 S192	M184-L188 WeakPolarHBondContact O-CB 3.4Å; M184-L188 VanDerWaalsContact O-CG 3.27Å; M184-L188 WeakPolarHBondContact O-CG 3.31Å; M184-L188 PolarHBondContact O-N 2.03Å; L185-L188 PolarHBondContact O-N 2.94Å; L186-L188 PolarHBondContact O-N 2.78Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.1Å
189	L	96.3	Very high	94.2	Very high	110 Å²	110	91.9 Å²	91.9	58%	0.576	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-38.8	173.3	-71.9	171.1	0	0	0	112.3	L185 L186 I187 S192 T193	L185-L189 WeakPolarHBondContact O-CG 3.41Å; L185-L189 PolarHBondContact O-N 2.57Å; L186-L189 PolarHBondContact O-N 2.83Å; I187-L189 PolarHBondContact O-N 3.36Å; L189-S192 PolarHBondContact O-N 3.36Å; L189-T193 WeakPolarHBondContact O-CB 3.48Å; L189-T193 WeakPolarHBondContact O-CG2 3.41Å; L189-T193 PolarHBondContact O-N 2.89Å; L189-T193 PolarHBondContact O-OG1 3.22Å
190	I	96.6	Very high	94.5	Very high	104 Å²	104	94.1 Å²	94.1	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-47	174.8	-68.8	164.2	0	0	0	110.5	L186 I187 S192 T193 V194	L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 3.19Å; I187-I190 PolarHBondContact O-N 3.42Å; I190-S192 PolarHBondContact O-N 2.83Å; I190-T193 PolarHBondContact O-N 2.95Å; I190-T193 PolarHBondContact O-OG1 3.01Å; I190-T193 VanDerWaalsContact O-OG1 3.04Å; I190-V194 HydrophobicContact CG2-CG2 4.48Å; I190-V194 WeakPolarHBondContact O-CB 3.31Å; I190-V194 VanDerWaalsContact O-CG2 3.28Å; I190-V194 WeakPolarHBondContact O-CG2 3.31Å; I190-V194 PolarHBondContact O-N 3.39Å
191	I	96.4	Very high	94.5	Very high	104 Å²	104	96.3 Å²	96.3	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-45.2	175.9	-68.3	167.9	0	0	0	110.7	I187 V194 A195	I187-I191 HydrophobicContact CG2-CD1 3.72Å; I187-I191 HydrophobicContact CG2-CG1 4.41Å; I187-I191 VanDerWaalsContact O-CG1 3.31Å; I187-I191 WeakPolarHBondContact O-CG1 3.43Å; I187-I191 PolarHBondContact O-N 3.42Å; I191-V194 PolarHBondContact O-N 2.96Å; I191-A195 VanDerWaalsContact O-CB 3.24Å; I191-A195 WeakPolarHBondContact O-CB 3.45Å; I191-A195 PolarHBondContact O-N 2.99Å
192	S	95.4	Very high	94.3	Very high	74 Å²	74	97.4 Å²	97.4	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-45.6	179.1	-178.3	0	0	0	0	112.4	L188 L189 I190 A195 Y196	L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 3.1Å; L189-S192 PolarHBondContact O-N 3.36Å; I190-S192 PolarHBondContact O-N 2.83Å; S192-A195 PolarHBondContact O-N 3.28Å; S192-Y196 WeakPolarHBondContact O-CB 3.41Å; S192-Y196 PolarHBondContact O-N 3.18Å
193	T	95.9	Very high	93.9	Very high	71 Å²	71	100.4 Å²	100.4	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-42.8	177.5	50.1	0	0	0	0	112.2	L189 I190 Y196 F197	L189-T193 WeakPolarHBondContact O-CB 3.48Å; L189-T193 WeakPolarHBondContact O-CG2 3.41Å; L189-T193 PolarHBondContact O-N 2.89Å; L189-T193 PolarHBondContact O-OG1 3.22Å; I190-T193 PolarHBondContact O-N 2.95Å; I190-T193 PolarHBondContact O-OG1 3.01Å; I190-T193 VanDerWaalsContact O-OG1 3.04Å; T193-Y196 WeakPolarHBondContact O-CB 3.43Å; T193-Y196 PolarHBondContact O-N 3.44Å; T193-F197 WeakPolarHBondContact O-CD2 3.43Å; T193-F197 PolarHBondContact O-N 3.27Å
194	V	95.8	Very high	93	Very high	78 Å²	78	99.1 Å²	99.1	47%	0.473	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-47.1	173.8	170.7	0	0	0	0	111	I190 I191 Y196 F197 L198	I190-V194 HydrophobicContact CG2-CG2 4.48Å; I190-V194 WeakPolarHBondContact O-CB 3.31Å; I190-V194 VanDerWaalsContact O-CG2 3.28Å; I190-V194 WeakPolarHBondContact O-CG2 3.31Å; I190-V194 PolarHBondContact O-N 3.39Å; I191-V194 PolarHBondContact O-N 2.96Å; V194-Y196 PolarHBondContact O-N 3.04Å; V194-F197 PolarHBondContact O-N 3.25Å; V194-L198 HydrophobicContact CG1-CD1 3.98Å; V194-L198 HydrophobicContact CG1-CG 4.4Å; V194-L198 WeakPolarHBondContact O-CG 3.44Å; V194-L198 PolarHBondContact O-N 2.99Å
195	A	95.3	Very high	91.9	Very high	40 Å²	40	100.6 Å²	100.6	33%	0.331	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-44	176.4	0	0	0	0	0	111.9	I191 S192 F197 L198 I199	I191-A195 VanDerWaalsContact O-CB 3.24Å; I191-A195 WeakPolarHBondContact O-CB 3.45Å; I191-A195 PolarHBondContact O-N 2.99Å; S192-A195 PolarHBondContact O-N 3.28Å; A195-F197 PolarHBondContact O-N 2.81Å; A195-L198 PolarHBondContact O-N 3.24Å; A195-I199 WeakPolarHBondContact O-CB 3.35Å; A195-I199 WeakPolarHBondContact O-CD1 3.44Å; A195-I199 VanDerWaalsContact O-CG1 3.25Å; A195-I199 WeakPolarHBondContact O-CG1 3.41Å; A195-I199 PolarHBondContact O-N 3.09Å
196	Y	95.5	Very high	90.3	Very high	137 Å²	137	100.7 Å²	100.7	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-57.6	-46.4	173.5	171.5	-90.6	0	0	0	111.9	S192 T193 V194 I199 K200	S192-Y196 WeakPolarHBondContact O-CB 3.41Å; S192-Y196 PolarHBondContact O-N 3.18Å; T193-Y196 WeakPolarHBondContact O-CB 3.43Å; T193-Y196 PolarHBondContact O-N 3.44Å; V194-Y196 PolarHBondContact O-N 3.04Å; Y196-I199 PolarHBondContact O-N 3.07Å; Y196-K200 HydrophobicContact CE1-CD 3.91Å; Y196-K200 VanDerWaalsContact O-CB 3.23Å; Y196-K200 WeakPolarHBondContact O-CB 3.23Å; Y196-K200 PolarHBondContact O-N 3.05Å
197	F	94.7	Very high	88.7	Confident	130 Å²	130	105 Å²	105	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-64.9	-39.4	177.2	-78.5	-63.4	0	0	0	112.7	T193 V194 A195 K200 K201	T193-F197 WeakPolarHBondContact O-CD2 3.43Å; T193-F197 PolarHBondContact O-N 3.27Å; V194-F197 PolarHBondContact O-N 3.25Å; A195-F197 PolarHBondContact O-N 2.81Å; F197-K200 PolarHBondContact O-N 3.47Å; F197-K201 WeakPolarHBondContact O-CB 3.43Å; F197-K201 PolarHBondContact O-N 2.94Å
198	L	92.8	Very high	86.8	Confident	101 Å²	101	107.6 Å²	107.6	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-49.3	175.1	-69.4	172	0	0	0	111.5	V194 A195 K200 K201 I202	V194-L198 HydrophobicContact CG1-CD1 3.98Å; V194-L198 HydrophobicContact CG1-CG 4.4Å; V194-L198 WeakPolarHBondContact O-CG 3.44Å; V194-L198 PolarHBondContact O-N 2.99Å; A195-L198 PolarHBondContact O-N 3.24Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.02Å; L198-K201 PolarHBondContact O-N 2.9Å; L198-K201 VanDerWaalsContact O-N 3.16Å; L198-I202 WeakPolarHBondContact O-CG1 3.39Å; L198-I202 PolarHBondContact O-N 3.17Å
199	I	92.5	Very high	84.7	Confident	91 Å²	91	112.1 Å²	112.1	47%	0.467	56%	0.556	S	S	.	*	H	α-helix	trans	-59.9	-42.4	176.8	-67.5	164.4	0	0	0	110.8	A195 Y196 I202 K203	A195-I199 WeakPolarHBondContact O-CB 3.35Å; A195-I199 WeakPolarHBondContact O-CD1 3.44Å; A195-I199 VanDerWaalsContact O-CG1 3.25Å; A195-I199 WeakPolarHBondContact O-CG1 3.41Å; A195-I199 PolarHBondContact O-N 3.09Å; Y196-I199 PolarHBondContact O-N 3.07Å; I199-I202 PolarHBondContact O-N 3.33Å; I199-K203 HydrophobicContact CG2-CD 4.21Å; I199-K203 WeakPolarHBondContact O-CB 3.41Å; I199-K203 WeakPolarHBondContact O-CG 3.18Å; I199-K203 PolarHBondContact O-N 2.99Å
200	K	92.2	Very high	82.5	Confident	113 Å²	113	114.6 Å²	114.6	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-40.9	176	-172.5	173	-177	173	0	111.9	Y196 F197 L198 K203 S204	Y196-K200 HydrophobicContact CE1-CD 3.91Å; Y196-K200 VanDerWaalsContact O-CB 3.23Å; Y196-K200 WeakPolarHBondContact O-CB 3.23Å; Y196-K200 PolarHBondContact O-N 3.05Å; F197-K200 PolarHBondContact O-N 3.47Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.02Å; K200-K203 PolarHBondContact O-N 3.19Å; K200-S204 WeakPolarHBondContact O-CB 3.22Å; K200-S204 PolarHBondContact O-N 2.8Å
201	K	89.6	Confident	80.1	Confident	141 Å²	141	112.9 Å²	112.9	61%	0.613	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-38.6	177.3	-164.3	171.8	-172.6	174.4	0	112.1	F197 L198 K205	F197-K201 WeakPolarHBondContact O-CB 3.43Å; F197-K201 PolarHBondContact O-N 2.94Å; L198-K201 PolarHBondContact O-N 2.9Å; L198-K201 VanDerWaalsContact O-N 3.16Å; K201-K205 PolarHBondContact O-N 2.65Å; K201-K205 VanDerWaalsContact O-N 3.13Å
202	I	86.1	Confident	77.7	Confident	101 Å²	101	113.3 Å²	113.3	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-65.6	-50.6	173.7	-66	163.7	0	0	0	110.5	L198 I199 S204 K205 N206	L198-I202 WeakPolarHBondContact O-CG1 3.39Å; L198-I202 PolarHBondContact O-N 3.17Å; I199-I202 PolarHBondContact O-N 3.33Å; I202-S204 VanDerWaalsContact C-N 3.26Å; I202-S204 PolarHBondContact O-N 3.31Å; I202-K205 PolarHBondContact O-N 3.44Å; I202-N206 PolarHBondContact O-N 3.33Å; I202-N206 PolarHBondContact O-OD1 3.33Å
203	K	83.8	Confident	75.6	Confident	143 Å²	143	119 Å²	119	62%	0.622	61%	0.607	S	S	*	*	H	α-helix	trans	-59.4	-35.4	177.4	-73.5	-177.6	177.6	-177.6	0	112.7	I199 K200 K207	I199-K203 HydrophobicContact CG2-CD 4.21Å; I199-K203 WeakPolarHBondContact O-CB 3.41Å; I199-K203 WeakPolarHBondContact O-CG 3.18Å; I199-K203 PolarHBondContact O-N 2.99Å; K200-K203 PolarHBondContact O-N 3.19Å; K203-K207 PolarHBondContact O-N 2.99Å; K203-K207 VanDerWaalsContact O-N 3.13Å
204	S	75.9	Confident	73	Confident	64 Å²	64	122.1 Å²	122.1	45%	0.448	63%	0.626	S	S	.	*	H	α-helix	trans	-64.5	-49.7	174.4	-177	0	0	0	0	112.3	K200 I202 N206 K207 I208	K200-S204 WeakPolarHBondContact O-CB 3.22Å; K200-S204 PolarHBondContact O-N 2.8Å; I202-S204 VanDerWaalsContact C-N 3.26Å; I202-S204 PolarHBondContact O-N 3.31Å; S204-N206 VanDerWaalsContact C-N 3.31Å; S204-N206 PolarHBondContact O-N 2.91Å; S204-K207 PolarHBondContact O-N 3.21Å; S204-I208 PolarHBondContact O-N 2.86Å
205	K	70.7	Confident	70.8	Confident	140 Å²	140	127.2 Å²	127.2	61%	0.609	65%	0.645	S	S	*	*	H	α-helix	trans	-57.8	-42.9	175.9	-75.1	-174	173.4	-168.9	0	112.3	K201 I202 K207 I208 K209	K201-K205 PolarHBondContact O-N 2.65Å; K201-K205 VanDerWaalsContact O-N 3.13Å; I202-K205 PolarHBondContact O-N 3.44Å; K205-K207 VanDerWaalsContact C-N 3.34Å; K205-K207 PolarHBondContact O-N 3.01Å; K205-I208 PolarHBondContact O-N 3.04Å; K205-K209 PolarHBondContact O-N 3.38Å; K205-K209 VanDerWaalsContact O-N 3.14Å
206	N	63.3	Low	68.3	Low	109 Å²	109	131.7 Å²	131.7	58%	0.583	67%	0.668	S	S	*	*	H	α-helix	trans	-69.7	-29.1	-178.7	-68.4	13.1	0	0	0	112.8	I202 S204	I202-N206 PolarHBondContact O-N 3.33Å; I202-N206 PolarHBondContact O-OD1 3.33Å; S204-N206 VanDerWaalsContact C-N 3.31Å; S204-N206 PolarHBondContact O-N 2.91Å
207	K	61.8	Low	65.5	Low	183 Å²	183	137 Å²	137	80%	0.796	69%	0.688	S	S	*	*	H	α-helix	trans	-70.6	-34	171.3	-80.9	-163.9	170.6	-163.1	0	113.4	K203 S204 K205	K203-K207 PolarHBondContact O-N 2.99Å; K203-K207 VanDerWaalsContact O-N 3.13Å; S204-K207 PolarHBondContact O-N 3.21Å; K205-K207 VanDerWaalsContact C-N 3.34Å; K205-K207 PolarHBondContact O-N 3.01Å
208	I	56.8	Low	63.1	Low	128 Å²	128	142.2 Å²	142.2	66%	0.656	70%	0.703	S	S	*	*	H	α-helix	trans	-75.5	-28.3	179.5	-65.2	167.5	0	0	0	111.2	S204 K205 L210	S204-I208 PolarHBondContact O-N 2.86Å; K205-I208 PolarHBondContact O-N 3.04Å; I208-L210 PolarHBondContact O-N 3.36Å
209	K	52.1	Low	60.7	Low	192 Å²	192	143.7 Å²	143.7	84%	0.835	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	17.8	-176.9	-141.5	-173.3	-178.3	-168.5	0	115.4	K205	K205-K209 PolarHBondContact O-N 3.38Å; K205-K209 VanDerWaalsContact O-N 3.14Å
210	L	49.3	Very low	58.7	Low	163 Å²	163	144.4 Å²	144.4	85%	0.853	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.9	41	-179.6	-161.1	68.6	0	0	0	112.3	I208	I208-L210 PolarHBondContact O-N 3.36Å
211	G	46.8	Very low	56.3	Low	68 Å²	68	146.1 Å²	146.1	70%	0.701	75%	0.75	S	S	*	*	S	Bend	trans	-161.4	29.2	-176.9	0	0	0	0	0	114.8
212	S	45.7	Very low	54.1	Low	112 Å²	112	144 Å²	144	78%	0.783	76%	0.759	S	S	*	*	S	Bend	trans	-149.6	42.3	-172.4	-177.1	0	0	0	0	112.7
213	E	50.7	Low	52.1	Low	193 Å²	193	145.6 Å²	145.6	90%	0.902	77%	0.773	S	S	*	*			trans	-151.6	47.5	179.2	-147.6	160	-149.4	0	0	112.2
214	T	41.5	Very low	50.3	Low	137 Å²	137	143.7 Å²	143.7	84%	0.84	78%	0.778	S	S	*	*			trans	-137	29.5	-170.7	-5.5	0	0	0	0	115.2
215	E	48.8	Very low	48.7	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	79%	0.793	S	S	*	*	S	Bend	trans	-145.2	152.3	170.6	-134.5	171.6	157.8	0	0	114.7
216	T	43.5	Very low	47.9	Very low	133 Å²	133	147.4 Å²	147.4	82%	0.816	80%	0.799	S	S	*	*			trans	62.6	69	164.4	-41.6	0	0	0	0	118.5
217	R	37.4	Very low	47	Very low	250 Å²	250	148 Å²	148	94%	0.943	80%	0.802	S	S	*	*			trans	-137	87.1	145.7	-162.3	173.9	-176	-177.1	0.7	113
218	R	43.1	Very low	46.4	Very low	238 Å²	238	146.7 Å²	146.7	90%	0.898	80%	0.796	S	S	*	*			trans	-114.2	169.5	161.8	-85.3	-176.6	173.1	160	-1.1	109.6
219	T	44	Very low	45.9	Very low	132 Å²	132	145.6 Å²	145.6	81%	0.81	80%	0.799	S	S	*	*			trans	89.7	138.6	168.9	-46.7	0	0	0	0	116
220	S	49.2	Very low	46	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	79%	0.789	S	S	*	*			trans	55.1	108.7	-171.9	51.5	0	0	0	0	114.7
221	V	41.9	Very low	46	Very low	150 Å²	150	140.9 Å²	140.9	91%	0.909	79%	0.789	S	S	*	*			cis	72.5	94	34	-167.2	0	0	0	0	113.8
222	A	44.6	Very low	46.4	Very low	97 Å²	97	143 Å²	143	80%	0.802	79%	0.791	S	S	*	*			trans	-153.5	145	157.9	0	0	0	0	0	109.9
223	T	42.9	Very low	46.4	Very low	133 Å²	133	145.8 Å²	145.8	82%	0.816	79%	0.793	S	S	*	*			trans	-48.5	140.1	176.6	41.5	0	0	0	0	114.5
224	S	45.5	Very low	46.5	Very low	103 Å²	103	142.9 Å²	142.9	72%	0.72	78%	0.783	S	S	*	*				58	125.9	83.4	-152.4	0	0	0	0	112.5
225	T	43.7	Very low	46.6	Very low	125 Å²	125	143.2 Å²	143.2	77%	0.767	78%	0.779	S	S	*	*			cis	-142.3	-174.1	44.3	48.6	0	0	0	0	115.9
226	E	52.7	Low	46.4	Very low	158 Å²	158	138.4 Å²	138.4	74%	0.738	77%	0.771	S	S	*	*			trans	-44.6	169.6	175.4	-68.3	164.6	103.9	0	0	117.7	K228	E226-K228 IonicContact OE1-NZ 2.71Å
227	D	44.3	Very low	46.6	Very low	120 Å²	120	138 Å²	138	64%	0.642	77%	0.774	S	S	*	*			cis	-154.8	179.5	29	-149.1	0.3	0	0	0	118.3
228	K	50.1	Low	47.2	Very low	156 Å²	156	131.4 Å²	131.4	68%	0.678	76%	0.763	S	S	*	*			trans	-48.8	169.3	174.6	-67	159.9	-152.7	84.2	0	116.4	E226	E226-K228 IonicContact OE1-NZ 2.71Å
229	C	46.3	Very low	47.2	Very low	106 Å²	106	125.4 Å²	125.4	72%	0.716	76%	0.758	S	S	*	*			cis	-176.8	-164.3	-26.4	-156.2	0	0	0	0	106.6
230	C	54.4	Low	47.5	Very low	93 Å²	93	125.9 Å²	125.9	63%	0.628	76%	0.761	S	S	*	*			cis	-167.3	139.2	-1	-114	0	0	0	0	113.9
231	L	49.1	Very low	47.5	Very low	162 Å²	162	129 Å²	129	85%	0.848	77%	0.765	S	S	*	*			trans	69	155.6	145.3	-60.6	176.2	0	0	0	124.1
232	P	55.5	Low	48.1	Very low	114 Å²	114	127.1 Å²	127.1	74%	0.74	76%	0.756	S	S	*	*			trans	-131.6	-179	-170.1	45.3	-29.3	0	0	0	116.6
233	M	45.9	Very low	48.1	Very low	170 Å²	170	129 Å²	129	84%	0.837	76%	0.757	S	S	*	*			trans	-167.1	157.7	155.3	-88.6	-139.6	176.1	0	0	110.9
234	I	51.9	Low	47.9	Very low	131 Å²	131	129.8 Å²	129.8	67%	0.672	76%	0.756	S	S	*	*			cis	-159.1	-143.8	-26.5	-157.6	169.6	0	0	0	110.2
235	N	44.1	Very low	47.6	Very low	145 Å²	145	129.7 Å²	129.7	78%	0.775	76%	0.755	S	S	*	*			trans	-90.5	-176.8	-171.2	-48.6	-29.1	0	0	0	113.3
236	A	44.2	Very low	47.6	Very low	85 Å²	85	129.4 Å²	129.4	70%	0.702	75%	0.754	S	S	*	*			cis	-161	152.8	10.5	0	0	0	0	0	114.8
237	S	48.2	Very low	47.2	Very low	124 Å²	124	130.7 Å²	130.7	87%	0.867	76%	0.76	S	S	*	*			trans	47.8	159.6	135.4	-73	0	0	0	0	125.1
238	P	50.3	Low	47.3	Very low	111 Å²	111	129.5 Å²	129.5	72%	0.721	77%	0.766	S	S	*	*			trans	-127.9	-178	-154.6	43.5	-28.4	0	0	0	115.8
239	S	42	Very low	46.9	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	77%	0.771	S	S	*	*			trans	151.8	156.9	133.4	-69.1	0	0	0	0	114.3
240	V	50.9	Low	47	Very low	143 Å²	143	129.1 Å²	129.1	87%	0.867	77%	0.773	S	S	*	*			trans	129.9	146.4	158.6	172.8	0	0	0	0	112.3
241	M	48.9	Very low	46.6	Very low	171 Å²	171	131 Å²	131	84%	0.842	78%	0.777	S	S	*	*			trans	-113	-150.7	-168.2	-55.6	-146.1	-51.6	0	0	113.6
242	P	55	Low	46.4	Very low	110 Å²	110	131.7 Å²	131.7	71%	0.714	78%	0.776	S	S	*	*				-122.4	-172.8	-122	38	-17.4	0	0	0	114.3
243	V	44.3	Very low	45.8	Very low	136 Å²	136	129.8 Å²	129.8	82%	0.824	78%	0.777	S	S	*	*			trans	175.3	128.4	135.1	145.7	0	0	0	0	113.6
244	L	38.7	Very low	45.7	Very low	151 Å²	151	126.7 Å²	126.7	79%	0.791	77%	0.772	S	S	*	*			trans	38.2	123.6	142.9	-155.9	67.4	0	0	0	124
245	S	39	Very low	45.1	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	78%	0.776	S	S	*	*			trans	46.1	157.4	141.9	-50	0	0	0	0	122.2
246	T	44.2	Very low	45	Very low	119 Å²	119	125.3 Å²	125.3	73%	0.73	78%	0.775	S	S	*	*			cis	-148.5	144.5	23.6	41.8	0	0	0	0	115.1
247	Q	44.7	Very low	44.9	Very low	185 Å²	185	126.4 Å²	126.4	86%	0.864	77%	0.773	S	S	*	*			trans	57.2	151.7	139.7	-63.6	-170.8	8.3	0	0	124.8
248	A	44.8	Very low	44.7	Very low	94 Å²	94	127.5 Å²	127.5	78%	0.777	77%	0.769	S	S	*	*			trans	81.3	141.4	154	0	0	0	0	0	119.7
249	V	43.5	Very low	44.3	Very low	131 Å²	131	133.1 Å²	133.1	79%	0.794	78%	0.776	S	S	*	*			cis	-168.8	178.4	-25.4	107.6	0	0	0	0	108.3
250	V	47.8	Very low	44.4	Very low	124 Å²	124	134.2 Å²	134.2	75%	0.752	78%	0.778	S	S	*	*			trans	80	112.4	-179.5	-166.7	0	0	0	0	112.9
251	N	45.3	Very low	43.8	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	77%	0.773	S	S	*	*				67.4	144.3	74	-78	31.3	0	0	0	113.8
252	E	45.9	Very low	43.6	Very low	176 Å²	176	131.8 Å²	131.8	82%	0.822	77%	0.769	S	S	*	*			cis	-158.8	159.5	15.9	-144.7	156.8	-104.9	0	0	114.6
253	G	42.7	Very low	43.5	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	77%	0.768	S	S	*	*			trans	83.2	155.2	155.7	0	0	0	0	0	119.1
254	S	43.4	Very low	43.7	Very low	106 Å²	106	130 Å²	130	74%	0.741	77%	0.766	S	S	*	*			cis	-165.2	149.3	-16	-168.9	0	0	0	0	112.1
255	T	39.1	Very low	44.1	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	76%	0.76	S	S	*	*			trans	60.3	140.6	168.1	34.9	0	0	0	0	117.8
256	T	42.6	Very low	44.5	Very low	122 Å²	122	128.2 Å²	128.2	75%	0.748	76%	0.756	S	S	*	*				-155.8	122.5	54.3	-58.8	0	0	0	0	113.6
257	T	40.7	Very low	44.6	Very low	108 Å²	108	127 Å²	127	66%	0.663	75%	0.749	S	S	*	*			trans	32.2	111.6	144.1	-39.3	0	0	0	0	120.9
258	N	45.7	Very low	45.1	Very low	147 Å²	147	124.7 Å²	124.7	79%	0.786	74%	0.742	S	S	*	*				-174.6	122.4	115.4	-100.2	-43.4	0	0	0	115.3
259	R	40.5	Very low	45.6	Very low	230 Å²	230	127 Å²	127	87%	0.868	74%	0.737	S	S	*	*			trans	45.9	140	145.6	-118.9	175.8	179.4	90.8	1.1	122.6
260	T	45.2	Very low	46	Very low	135 Å²	135	125 Å²	125	83%	0.828	72%	0.722	S	S	*	*			trans	87.3	83.5	165.3	-36.4	0	0	0	0	115.8
261	T	37.4	Very low	46.2	Very low	121 Å²	121	121.4 Å²	121.4	74%	0.742	71%	0.705	S	S	*	*			trans	-88	170.3	160.4	51.5	0	0	0	0	111.2
262	D	45.2	Very low	46.8	Very low	142 Å²	142	117.3 Å²	117.3	76%	0.759	69%	0.694	S	S	*	*			trans	104.1	64.1	169.2	-53.8	1.2	0	0	0	114.8
263	T	53.4	Low	47.2	Very low	116 Å²	116	116.8 Å²	116.8	71%	0.712	68%	0.684	S	S	*	*	S	Bend	trans	-156.7	-25	165.7	-26.3	0	0	0	0	114.8	A265	T263-A265 PolarHBondContact O-N 3.42Å
264	A	47.7	Very low	47.9	Very low	93 Å²	93	119.8 Å²	119.8	77%	0.769	68%	0.678	S	S	*	*	S	Bend	trans	-77.7	-10.9	-168.8	0	0	0	0	0	116.2	T267	A264-T267 PolarHBondContact O-OG1 3.47Å
265	A	47.5	Very low	48.9	Very low	82 Å²	82	120.6 Å²	120.6	68%	0.678	67%	0.671	S	S	*	*	S	Bend	trans	-98	-22.6	-175.2	0	0	0	0	0	114.2	T263 T267	T263-A265 PolarHBondContact O-N 3.42Å; A265-T267 VanDerWaalsContact C-N 3.3Å; A265-T267 PolarHBondContact O-N 2.9Å
266	Q	46.7	Very low	49.7	Very low	131 Å²	131	117.5 Å²	117.5	61%	0.612	66%	0.658	S	S	*	*	H	α-helix	trans	-74.9	-13.7	-177.4	-105.7	85.9	17.6	0	0	114.3	N270	Q266-N270 PolarHBondContact O-ND2 3.13Å
267	T	47.5	Very low	50.5	Low	94 Å²	94	117.6 Å²	117.6	58%	0.577	65%	0.653	S	S	*	*	H	α-helix	trans	-76.7	-44.2	-169.8	23.9	0	0	0	0	114	A264 A265 A271	A264-T267 PolarHBondContact O-OG1 3.47Å; A265-T267 VanDerWaalsContact C-N 3.3Å; A265-T267 PolarHBondContact O-N 2.9Å; T267-A271 PolarHBondContact O-N 3.26Å
268	D	54.5	Low	51.6	Low	136 Å²	136	118.4 Å²	118.4	73%	0.727	65%	0.647	S	S	*	*	H	α-helix	trans	-74.1	-38.3	-177.7	-68.5	-36	0	0	0	112.5	N270 A271 G272	D268-N270 VanDerWaalsContact C-N 3.33Å; D268-N270 PolarHBondContact O-N 3.21Å; D268-A271 PolarHBondContact O-N 3.37Å; D268-G272 PolarHBondContact O-N 2.81Å; D268-G272 VanDerWaalsContact O-N 3.16Å
269	E	55.3	Low	52.6	Low	143 Å²	143	116.4 Å²	116.4	67%	0.668	64%	0.636	S	S	*	*	H	α-helix	trans	-64.3	-37.4	179.1	-163.2	-172.3	135.3	0	0	111.9	R273	E269-R273 VanDerWaalsContact O-CB 3.31Å; E269-R273 WeakPolarHBondContact O-CB 3.46Å; E269-R273 PolarHBondContact O-N 2.95Å
270	N	52.3	Low	53.9	Low	89 Å²	89	107.9 Å²	107.9	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-72	-34.4	175.6	-80.5	-63.7	0	0	0	112.8	Q266 D268 R273 Q274	Q266-N270 PolarHBondContact O-ND2 3.13Å; D268-N270 VanDerWaalsContact C-N 3.33Å; D268-N270 PolarHBondContact O-N 3.21Å; N270-R273 PolarHBondContact O-N 2.97Å; N270-Q274 WeakPolarHBondContact O-CG 3.12Å; N270-Q274 PolarHBondContact O-N 2.9Å
271	A	51.4	Low	55.1	Low	49 Å²	49	105 Å²	105	41%	0.405	60%	0.601	S	S	.	*	H	α-helix	trans	-62.6	-53.8	176.9	0	0	0	0	0	111.2	T267 D268 R273 Q274 E275	T267-A271 PolarHBondContact O-N 3.26Å; D268-A271 PolarHBondContact O-N 3.37Å; A271-R273 VanDerWaalsContact C-N 3.26Å; A271-R273 PolarHBondContact O-N 2.9Å; A271-Q274 PolarHBondContact O-N 3.07Å; A271-Q274 VanDerWaalsContact O-N 3.1Å; A271-E275 PolarHBondContact O-N 3.21Å
272	G	57.1	Low	56.7	Low	45 Å²	45	103.7 Å²	103.7	46%	0.464	59%	0.589	S	S	.	*	H	α-helix	trans	-60	-35	177.8	0	0	0	0	0	113.1	D268 E275 A276	D268-G272 PolarHBondContact O-N 2.81Å; D268-G272 VanDerWaalsContact O-N 3.16Å; G272-E275 PolarHBondContact O-N 3.31Å; G272-A276 WeakPolarHBondContact O-CB 3.41Å; G272-A276 PolarHBondContact O-N 3.09Å
273	R	56.2	Low	58	Low	166 Å²	166	104 Å²	104	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-71	-32.4	176.6	-166.3	172.3	-173.4	164.5	1.8	113.3	E269 N270 A271 L277	E269-R273 VanDerWaalsContact O-CB 3.31Å; E269-R273 WeakPolarHBondContact O-CB 3.46Å; E269-R273 PolarHBondContact O-N 2.95Å; N270-R273 PolarHBondContact O-N 2.97Å; A271-R273 VanDerWaalsContact C-N 3.26Å; A271-R273 PolarHBondContact O-N 2.9Å; R273-L277 WeakPolarHBondContact O-CD1 3.32Å; R273-L277 PolarHBondContact O-N 3.06Å
274	Q	56.9	Low	59.1	Low	136 Å²	136	102.5 Å²	102.5	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-74.9	-33.3	173.8	-77	-173.6	-30.1	0	0	112.8	N270 A271 K278	N270-Q274 WeakPolarHBondContact O-CG 3.12Å; N270-Q274 PolarHBondContact O-N 2.9Å; A271-Q274 PolarHBondContact O-N 3.07Å; A271-Q274 VanDerWaalsContact O-N 3.1Å; Q274-K278 WeakPolarHBondContact O-CG 3.21Å; Q274-K278 PolarHBondContact O-N 3.33Å
275	E	64	Low	60.3	Low	124 Å²	124	102.9 Å²	102.9	58%	0.579	57%	0.566	S	S	*	*	H	α-helix	trans	-67.8	-49.7	175.2	-151.5	113	-107.8	0	0	110.5	A271 G272 L277 K278 D279	A271-E275 PolarHBondContact O-N 3.21Å; G272-E275 PolarHBondContact O-N 3.31Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.24Å; E275-K278 WeakPolarHBondContact O-CB 3.4Å; E275-K278 PolarHBondContact O-N 3.21Å; E275-D279 PolarHBondContact O-N 3.15Å
276	A	55.1	Low	61.6	Low	59 Å²	59	103.9 Å²	103.9	49%	0.488	56%	0.559	S	S	.	*	H	α-helix	trans	-60.1	-33.4	177.5	0	0	0	0	0	113.7	G272 K278 A280	G272-A276 WeakPolarHBondContact O-CB 3.41Å; G272-A276 PolarHBondContact O-N 3.09Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-A280 WeakPolarHBondContact O-CB 3.36Å; A276-A280 PolarHBondContact O-N 3.03Å; A276-A280 VanDerWaalsContact O-N 3.15Å
277	L	59.3	Low	63	Low	123 Å²	123	103.1 Å²	103.1	64%	0.644	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-30.7	174.3	-109.1	81.5	0	0	0	113	R273 E275 S281	R273-L277 WeakPolarHBondContact O-CD1 3.32Å; R273-L277 PolarHBondContact O-N 3.06Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.24Å; L277-S281 VanDerWaalsContact O-CB 3.32Å; L277-S281 WeakPolarHBondContact O-CB 3.42Å; L277-S281 PolarHBondContact O-N 3.43Å; L277-S281 VanDerWaalsContact O-N 3.13Å
278	K	64.3	Low	64.3	Low	125 Å²	125	103.6 Å²	103.6	54%	0.543	55%	0.554	S	S	.	*	H	α-helix	trans	-72.3	-47.1	177.9	-72.1	171.4	-177.6	170.9	0	111.2	Q274 E275 A276 S281 N282	Q274-K278 WeakPolarHBondContact O-CG 3.21Å; Q274-K278 PolarHBondContact O-N 3.33Å; E275-K278 WeakPolarHBondContact O-CB 3.4Å; E275-K278 PolarHBondContact O-N 3.21Å; A276-K278 VanDerWaalsContact C-N 3.34Å; K278-S281 WeakPolarHBondContact O-CB 3.15Å; K278-S281 PolarHBondContact O-N 3.09Å; K278-N282 VanDerWaalsContact O-CG 3.22Å; K278-N282 PolarHBondContact O-N 2.66Å; K278-N282 PolarHBondContact O-ND2 3.39Å
279	D	67.7	Low	65.2	Low	105 Å²	105	101.7 Å²	101.7	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-43.3	179.3	-79.7	-10.7	0	0	0	111.7	E275 S281 N282 E283	E275-D279 PolarHBondContact O-N 3.15Å; D279-S281 VanDerWaalsContact C-N 3.29Å; D279-S281 PolarHBondContact O-N 2.93Å; D279-N282 PolarHBondContact O-N 3.49Å; D279-E283 PolarHBondContact O-N 3.43Å
280	A	66.2	Low	66.2	Low	51 Å²	51	100 Å²	100	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-59.6	-38.2	173.4	0	0	0	0	0	112.6	A276 T284	A276-A280 WeakPolarHBondContact O-CB 3.36Å; A276-A280 PolarHBondContact O-N 3.03Å; A276-A280 VanDerWaalsContact O-N 3.15Å; A280-T284 WeakPolarHBondContact O-CB 3.42Å; A280-T284 PolarHBondContact O-N 3.35Å; A280-T284 VanDerWaalsContact O-N 3.15Å; A280-T284 PolarHBondContact O-OG1 3.23Å
281	S	71.6	Confident	66.9	Low	75 Å²	75	98 Å²	98	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-36.2	174.1	-170.9	0	0	0	0	112.4	L277 K278 D279 L285	L277-S281 VanDerWaalsContact O-CB 3.32Å; L277-S281 WeakPolarHBondContact O-CB 3.42Å; L277-S281 PolarHBondContact O-N 3.43Å; L277-S281 VanDerWaalsContact O-N 3.13Å; K278-S281 WeakPolarHBondContact O-CB 3.15Å; K278-S281 PolarHBondContact O-N 3.09Å; D279-S281 VanDerWaalsContact C-N 3.29Å; D279-S281 PolarHBondContact O-N 2.93Å; S281-L285 WeakPolarHBondContact O-CB 3.39Å; S281-L285 PolarHBondContact O-N 2.86Å
282	N	69.7	Low	67.7	Low	94 Å²	94	102.6 Å²	102.6	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-72.4	-43.9	180	-71.2	-25.6	0	0	0	111.9	K278 D279 L285 L286	K278-N282 VanDerWaalsContact O-CG 3.22Å; K278-N282 PolarHBondContact O-N 2.66Å; K278-N282 PolarHBondContact O-ND2 3.39Å; D279-N282 PolarHBondContact O-N 3.49Å; N282-L285 PolarHBondContact O-N 3.37Å; N282-L286 WeakPolarHBondContact O-CB 3.46Å; N282-L286 PolarHBondContact O-N 2.97Å
283	E	73.2	Confident	67.9	Low	147 Å²	147	108.6 Å²	108.6	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-43.8	173.9	-73	-160.6	123.9	0	0	111.5	D279 L285 L286 E287	D279-E283 PolarHBondContact O-N 3.43Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.17Å; E283-L286 PolarHBondContact O-N 3.16Å; E283-L286 VanDerWaalsContact O-N 3.16Å; E283-E287 PolarHBondContact O-N 2.95Å
284	T	77.3	Confident	68.2	Low	86 Å²	86	106 Å²	106	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-61.6	-39.7	177.9	-53.4	0	0	0	0	111.6	A280 L288	A280-T284 WeakPolarHBondContact O-CB 3.42Å; A280-T284 PolarHBondContact O-N 3.35Å; A280-T284 VanDerWaalsContact O-N 3.15Å; A280-T284 PolarHBondContact O-OG1 3.23Å; T284-L288 HydrophobicContact CG2-CD1 4.4Å; T284-L288 WeakPolarHBondContact O-CG 3.39Å; T284-L288 PolarHBondContact O-N 3.15Å
285	L	73	Confident	67.7	Low	101 Å²	101	104 Å²	104	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-67.3	-37.9	175.7	-165.9	77.2	0	0	0	112.1	S281 N282 E283 L288 L289	S281-L285 WeakPolarHBondContact O-CB 3.39Å; S281-L285 PolarHBondContact O-N 2.86Å; N282-L285 PolarHBondContact O-N 3.37Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.17Å; L285-L288 PolarHBondContact O-N 3.02Å; L285-L289 HydrophobicContact CG-CD1 4.39Å; L285-L289 PolarHBondContact O-N 3.08Å
286	L	75.1	Confident	67.1	Low	103 Å²	103	104.7 Å²	104.7	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-69.8	-38.6	-178.6	-166.3	69.4	0	0	0	112.3	N282 E283 L289 K290	N282-L286 WeakPolarHBondContact O-CB 3.46Å; N282-L286 PolarHBondContact O-N 2.97Å; E283-L286 PolarHBondContact O-N 3.16Å; E283-L286 VanDerWaalsContact O-N 3.16Å; L286-L289 PolarHBondContact O-N 3.14Å; L286-K290 WeakPolarHBondContact O-CG 3.35Å; L286-K290 PolarHBondContact O-N 3.34Å
287	E	76	Confident	67.1	Low	114 Å²	114	108.2 Å²	108.2	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-67.6	-38.1	171.9	-77	-63.3	114.4	0	0	112.1	E283 L289 K290 A291	E283-E287 PolarHBondContact O-N 2.95Å; E287-L289 VanDerWaalsContact C-N 3.35Å; E287-L289 PolarHBondContact O-N 3.44Å; E287-K290 PolarHBondContact O-N 3.32Å; E287-K290 WeakPolarHBondContact OE1-CD 3.49Å; E287-K290 IonicContact OE1-NZ 2.8Å; E287-K290 PolarHBondContact OE1-NZ 2.7Å; E287-A291 WeakPolarHBondContact O-CB 3.4Å; E287-A291 PolarHBondContact O-N 3.39Å
288	L	73.3	Confident	66.7	Low	105 Å²	105	107.6 Å²	107.6	55%	0.55	58%	0.58	S	S	.	*	H	α-helix	trans	-63.4	-38.5	173.2	-76	168.8	0	0	0	112.5	T284 L285 A291 L292	T284-L288 HydrophobicContact CG2-CD1 4.4Å; T284-L288 WeakPolarHBondContact O-CG 3.39Å; T284-L288 PolarHBondContact O-N 3.15Å; L285-L288 PolarHBondContact O-N 3.02Å; L288-A291 PolarHBondContact O-N 3.06Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 3.29Å
289	L	74.9	Confident	66.1	Low	95 Å²	95	110.5 Å²	110.5	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-64.9	-47	174.4	-82	161.7	0	0	0	112	L285 L286 E287 A291 L292 E293	L285-L289 HydrophobicContact CG-CD1 4.39Å; L285-L289 PolarHBondContact O-N 3.08Å; L286-L289 PolarHBondContact O-N 3.14Å; E287-L289 VanDerWaalsContact C-N 3.35Å; E287-L289 PolarHBondContact O-N 3.44Å; L289-A291 PolarHBondContact O-N 3.38Å; L289-L292 PolarHBondContact O-N 2.76Å; L289-E293 PolarHBondContact O-N 3.23Å; L289-E293 VanDerWaalsContact O-N 3.08Å
290	K	75.6	Confident	65.2	Low	109 Å²	109	110.4 Å²	110.4	47%	0.474	59%	0.586	S	S	.	*	H	α-helix	trans	-59.1	-34.9	173.5	-72.6	178.2	-166.4	160.9	0	112.9	L286 E287 L292 E293	L286-K290 WeakPolarHBondContact O-CG 3.35Å; L286-K290 PolarHBondContact O-N 3.34Å; E287-K290 PolarHBondContact O-N 3.32Å; E287-K290 WeakPolarHBondContact OE1-CD 3.49Å; E287-K290 IonicContact OE1-NZ 2.8Å; E287-K290 PolarHBondContact OE1-NZ 2.7Å; K290-L292 VanDerWaalsContact C-N 3.26Å; K290-L292 PolarHBondContact O-N 2.74Å; K290-E293 PolarHBondContact O-N 2.88Å
291	A	67.6	Low	64.6	Low	47 Å²	47	111.9 Å²	111.9	39%	0.388	59%	0.592	S	S	.	*	H	α-helix	trans	-69.3	-23.6	177.4	0	0	0	0	0	113.1	E287 L288 L289	E287-A291 WeakPolarHBondContact O-CB 3.4Å; E287-A291 PolarHBondContact O-N 3.39Å; L288-A291 PolarHBondContact O-N 3.06Å; L289-A291 PolarHBondContact O-N 3.38Å
292	L	66.7	Low	63.9	Low	145 Å²	145	117 Å²	117	76%	0.759	61%	0.607	S	S	*	*	H	α-helix	trans	-88.8	-24.4	175.8	-69.3	167.2	0	0	0	113.3	L288 L289 K290 Q294	L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 3.29Å; L289-L292 PolarHBondContact O-N 2.76Å; K290-L292 VanDerWaalsContact C-N 3.26Å; K290-L292 PolarHBondContact O-N 2.74Å; L292-Q294 VanDerWaalsContact C-N 3.3Å; L292-Q294 PolarHBondContact O-N 3.45Å
293	E	62.9	Low	63.2	Low	171 Å²	171	121.3 Å²	121.3	80%	0.799	62%	0.624	S	S	*	*	S	Bend	trans	-76.4	-9.2	175.5	-93.5	-172	136.3	0	0	114.4	L289 K290	L289-E293 PolarHBondContact O-N 3.23Å; L289-E293 VanDerWaalsContact O-N 3.08Å; K290-E293 PolarHBondContact O-N 2.88Å
294	Q	61.6	Low	62	Low	111 Å²	111	120 Å²	120	52%	0.519	62%	0.621	S	S	.	*	S	Bend	trans	-72.1	139.1	176.5	-68.8	-165	-12.6	0	0	111.9	L292 L296	L292-Q294 VanDerWaalsContact C-N 3.3Å; L292-Q294 PolarHBondContact O-N 3.45Å; Q294-L296 PolarHBondContact O-N 3.04Å
295	P	47.2	Very low	60.4	Low	94 Å²	94	123.1 Å²	123.1	61%	0.61	63%	0.628	S	S	*	*			trans	-56.5	125.1	179.5	-25.9	34.4	0	0	0	112.4	V297 T298	P295-V297 PolarHBondContact O-N 3.47Å; P295-T298 PolarHBondContact O-N 2.96Å; P295-T298 PolarHBondContact O-OG1 3.41Å
296	L	51.6	Low	59.5	Low	139 Å²	139	125.5 Å²	125.5	73%	0.728	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-55.7	-17.1	-174.6	-146.7	77.7	0	0	0	114.8	Q294 T298	Q294-L296 PolarHBondContact O-N 3.04Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.23Å
297	V	53.3	Low	58.4	Low	132 Å²	132	126 Å²	126	80%	0.8	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-65.5	-26.9	-175.7	-173	0	0	0	0	113.1	P295	P295-V297 PolarHBondContact O-N 3.47Å
298	T	52.4	Low	56.9	Low	111 Å²	111	125.7 Å²	125.7	68%	0.681	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-92.6	5.6	-174.4	49.9	0	0	0	0	115.3	P295 L296	P295-T298 PolarHBondContact O-N 2.96Å; P295-T298 PolarHBondContact O-OG1 3.41Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.23Å
299	R	50.6	Low	55.9	Low	186 Å²	186	129.8 Å²	129.8	70%	0.702	67%	0.668	S	S	*	*	S	Bend	trans	-119.4	-0.7	-177.5	-74.9	-163.2	179.1	-138.5	4.4	116.4
300	L	49.7	Very low	55.2	Low	103 Å²	103	131.3 Å²	131.3	54%	0.539	68%	0.681	S	S	.	*	S	Bend	trans	-91.3	126.1	174.9	-133.2	73.7	0	0	0	110.4	L304 F305	L300-L304 HydrophobicContact CD2-CB 4.32Å; L300-L304 HydrophobicContact CG-CD1 4.34Å; L300-F305 HydrophobicContact CD2-CE2 4.09Å
301	P	54.1	Low	54.8	Low	82 Å²	82	133.4 Å²	133.4	53%	0.532	69%	0.693	S	S	.	*			trans	-67.9	145	169.6	29.3	-33.9	0	0	0	110.3	E303 L304	P301-E303 PolarHBondContact O-N 3.46Å; P301-E303 VanDerWaalsContact O-N 3.08Å; P301-L304 PolarHBondContact O-N 2.7Å
302	E	55.5	Low	54.5	Low	181 Å²	181	136.8 Å²	136.8	85%	0.846	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-57.8	-26.5	-175.1	-76.3	-173.8	111.4	0	0	113.9	L304 F305	E302-L304 PolarHBondContact O-N 2.85Å; E302-F305 PolarHBondContact O-N 3.29Å
303	E	56.4	Low	54.1	Low	185 Å²	185	135.9 Å²	135.9	86%	0.864	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-64.3	-10.6	-175.8	-58.7	-162.8	133.8	0	0	115	P301	P301-E303 PolarHBondContact O-N 3.46Å; P301-E303 VanDerWaalsContact O-N 3.08Å
304	L	47.2	Very low	54.4	Low	121 Å²	121	131.8 Å²	131.8	63%	0.634	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-86.1	-10.4	173.2	-85.6	163.9	0	0	0	114.3	L300 P301 E302 I306	L300-L304 HydrophobicContact CD2-CB 4.32Å; L300-L304 HydrophobicContact CG-CD1 4.34Å; P301-L304 PolarHBondContact O-N 2.7Å; E302-L304 PolarHBondContact O-N 2.85Å; L304-I306 VanDerWaalsContact C-N 3.27Å; L304-I306 PolarHBondContact O-N 3.24Å
305	F	44.7	Very low	54.4	Low	150 Å²	150	131.5 Å²	131.5	66%	0.658	70%	0.702	S	S	*	*			trans	-84.7	65.4	174.2	-77.3	-83.2	0	0	0	112	L300 E302 T307	L300-F305 HydrophobicContact CD2-CE2 4.09Å; E302-F305 PolarHBondContact O-N 3.29Å; F305-T307 PolarHBondContact O-N 3.13Å
306	I	53.8	Low	55.1	Low	152 Å²	152	133.1 Å²	133.1	78%	0.779	70%	0.701	S	S	*	*			trans	-68.6	86.1	165.4	-55.7	-178	0	0	0	108.4	L304	L304-I306 VanDerWaalsContact C-N 3.27Å; L304-I306 PolarHBondContact O-N 3.24Å
307	T	52.2	Low	55.6	Low	113 Å²	113	128.3 Å²	128.3	69%	0.693	68%	0.679	S	S	*	*			trans	-64.6	124.9	165.4	42.1	0	0	0	0	108.5	F305 K309	F305-T307 PolarHBondContact O-N 3.13Å; T307-K309 PolarHBondContact O-N 3.47Å; T307-K309 VanDerWaalsContact O-N 3.08Å
308	P	44.1	Very low	56.1	Low	107 Å²	107	126 Å²	126	70%	0.695	66%	0.662	S	S	*	*			trans	-65.7	115.9	174.8	26.6	-32.2	0	0	0	107.9	V310	P308-V310 PolarHBondContact O-N 3.14Å
309	K	52.7	Low	57.1	Low	191 Å²	191	126.1 Å²	126.1	83%	0.83	66%	0.659	S	S	*	*			trans	-71.7	83.7	176.6	-171.5	-179.3	179.1	-172.9	0	108.9	T307 E311	T307-K309 PolarHBondContact O-N 3.47Å; T307-K309 VanDerWaalsContact O-N 3.08Å; K309-E311 PolarHBondContact O-N 3.49Å
310	V	59.6	Low	58.3	Low	127 Å²	127	123 Å²	123	77%	0.77	65%	0.65	S	S	*	*			trans	-65.5	99.5	173.7	-178.3	0	0	0	0	107.9	P308	P308-V310 PolarHBondContact O-N 3.14Å
311	E	66.6	Low	59.3	Low	154 Å²	154	122.7 Å²	122.7	72%	0.72	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.9	132	174	-167.5	149.7	-128.7	0	0	109	K309 L313	K309-E311 PolarHBondContact O-N 3.49Å; E311-L313 PolarHBondContact O-N 2.97Å
312	P	61.7	Low	60.3	Low	118 Å²	118	123.3 Å²	123.3	77%	0.766	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-60.7	123.4	-178.5	-23.6	34	0	0	0	110.8
313	L	57.4	Low	61.5	Low	126 Å²	126	117.6 Å²	117.6	66%	0.66	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-57.4	135	175.4	-73.6	170.7	0	0	0	109.8	E311	E311-L313 PolarHBondContact O-N 2.97Å
314	P	69.6	Low	62.5	Low	84 Å²	84	114.3 Å²	114.3	55%	0.545	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-62.5	142.3	178.2	26.5	-34.1	0	0	0	109.9	E316 S317	P314-E316 PolarHBondContact O-N 3.13Å; P314-E316 VanDerWaalsContact O-N 3.08Å; P314-S317 WeakPolarHBondContact O-CB 3.45Å; P314-S317 PolarHBondContact O-N 3.38Å
315	P	63.1	Low	64	Low	106 Å²	106	117.3 Å²	117.3	69%	0.688	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-31.4	-170.4	20.5	-32.5	0	0	0	113.7	S317 N318	P315-S317 PolarHBondContact O-N 3.03Å; P315-N318 PolarHBondContact O-N 2.86Å
316	E	61.5	Low	65.8	Low	128 Å²	128	114.7 Å²	114.7	60%	0.598	61%	0.614	S	S	*	*	H	α-helix	trans	-59.3	-15.7	175.6	-153.8	-162.9	133.2	0	0	114.1	P314 K320	P314-E316 PolarHBondContact O-N 3.13Å; P314-E316 VanDerWaalsContact O-N 3.08Å; E316-K320 IonicContact OE1-NZ 3.83Å; E316-K320 PolarHBondContact OE1-NZ 3.35Å
317	S	60.5	Low	67.1	Low	37 Å²	37	109.8 Å²	109.8	26%	0.259	60%	0.597	S	S	.	*	H	α-helix	trans	-70.8	-36.9	172.9	-175	0	0	0	0	112.5	P314 P315 L321	P314-S317 WeakPolarHBondContact O-CB 3.45Å; P314-S317 PolarHBondContact O-N 3.38Å; P315-S317 PolarHBondContact O-N 3.03Å; S317-L321 PolarHBondContact O-N 3.45Å
318	N	64.1	Low	68.1	Low	84 Å²	84	107.2 Å²	107.2	45%	0.449	59%	0.587	S	S	.	*	H	α-helix	trans	-76.3	-36.9	-171.5	-71.7	-6.9	0	0	0	111.7	P315 K320 L321 N322	P315-N318 PolarHBondContact O-N 2.86Å; N318-K320 VanDerWaalsContact C-N 3.28Å; N318-K320 PolarHBondContact O-N 3.34Å; N318-L321 PolarHBondContact O-N 3.13Å; N318-N322 WeakPolarHBondContact O-CB 3.24Å; N318-N322 PolarHBondContact O-N 2.88Å; N318-N322 PolarHBondContact O-ND2 3.25Å
319	D	74.2	Confident	69.7	Low	113 Å²	113	105.4 Å²	105.4	60%	0.604	57%	0.574	S	S	*	*	H	α-helix	trans	-62.7	-36.6	177.8	-61.8	-30.7	0	0	0	111.8	A323	D319-A323 VanDerWaalsContact O-CB 3.31Å; D319-A323 WeakPolarHBondContact O-CB 3.48Å; D319-A323 PolarHBondContact O-N 3.1Å
320	K	75.6	Confident	70.6	Confident	120 Å²	120	101.3 Å²	101.3	52%	0.522	56%	0.561	S	S	.	*	H	α-helix	trans	-70.2	-40.3	174	-74.8	170.8	-177.8	147.8	0	112.3	E316 N318 I324	E316-K320 IonicContact OE1-NZ 3.83Å; E316-K320 PolarHBondContact OE1-NZ 3.35Å; N318-K320 VanDerWaalsContact C-N 3.28Å; N318-K320 PolarHBondContact O-N 3.34Å; K320-I324 WeakPolarHBondContact O-CD1 3.42Å; K320-I324 VanDerWaalsContact O-CG1 3.24Å; K320-I324 WeakPolarHBondContact O-CG1 3.3Å; K320-I324 PolarHBondContact O-N 2.98Å
321	L	69.9	Low	70.9	Confident	98 Å²	98	102.1 Å²	102.1	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-43.7	175.7	-87.1	160.6	0	0	0	112.1	S317 N318 I324 W325	S317-L321 PolarHBondContact O-N 3.45Å; N318-L321 PolarHBondContact O-N 3.13Å; L321-I324 PolarHBondContact O-N 2.79Å; L321-W325 PolarHBondContact O-N 3.06Å
322	N	77	Confident	70.5	Confident	94 Å²	94	98.8 Å²	98.8	50%	0.503	55%	0.55	S	S	.	*	H	α-helix	trans	-63.2	-45.7	176.1	-66.5	-20	0	0	0	111.2	N318 I324 W325 D326	N318-N322 WeakPolarHBondContact O-CB 3.24Å; N318-N322 PolarHBondContact O-N 2.88Å; N318-N322 PolarHBondContact O-ND2 3.25Å; N322-I324 VanDerWaalsContact C-N 3.29Å; N322-I324 PolarHBondContact O-N 3.32Å; N322-W325 WeakPolarHBondContact O-CB 3.43Å; N322-W325 PolarHBondContact O-N 3.33Å; N322-W325 VanDerWaalsContact O-N 3.1Å; N322-D326 PolarHBondContact O-N 3.05Å
323	A	80	Confident	70.4	Confident	61 Å²	61	97.4 Å²	97.4	50%	0.504	54%	0.543	S	S	.	.	H	α-helix	trans	-62	-33.6	176.6	0	0	0	0	0	113.5	D319 A327	D319-A323 VanDerWaalsContact O-CB 3.31Å; D319-A323 WeakPolarHBondContact O-CB 3.48Å; D319-A323 PolarHBondContact O-N 3.1Å; A323-A327 VanDerWaalsContact O-CB 3.3Å; A323-A327 WeakPolarHBondContact O-CB 3.31Å; A323-A327 PolarHBondContact O-N 2.86Å; A323-A327 VanDerWaalsContact O-N 3.13Å
324	I	78.1	Confident	70.6	Confident	116 Å²	116	95.6 Å²	95.6	60%	0.595	54%	0.541	S	S	*	.	H	α-helix	trans	-69.5	-40.8	173	-70.6	164.4	0	0	0	110.8	K320 L321 N322 A327 A328	K320-I324 WeakPolarHBondContact O-CD1 3.42Å; K320-I324 VanDerWaalsContact O-CG1 3.24Å; K320-I324 WeakPolarHBondContact O-CG1 3.3Å; K320-I324 PolarHBondContact O-N 2.98Å; L321-I324 PolarHBondContact O-N 2.79Å; N322-I324 VanDerWaalsContact C-N 3.29Å; N322-I324 PolarHBondContact O-N 3.32Å; I324-A327 PolarHBondContact O-N 3.19Å; I324-A328 PolarHBondContact O-N 3.36Å
325	W	77.7	Confident	70	Confident	185 Å²	185	97.2 Å²	97.2	70%	0.701	55%	0.55	S	S	*	.	H	α-helix	trans	-63.4	-49.4	177	-172.3	-86.6	0	0	0	111.9	L321 N322 A327 A328 V329	L321-W325 PolarHBondContact O-N 3.06Å; N322-W325 WeakPolarHBondContact O-CB 3.43Å; N322-W325 PolarHBondContact O-N 3.33Å; N322-W325 VanDerWaalsContact O-N 3.1Å; W325-A327 VanDerWaalsContact C-N 3.28Å; W325-A327 PolarHBondContact O-N 3.2Å; W325-A328 PolarHBondContact O-N 3.34Å; W325-A328 VanDerWaalsContact O-N 3.13Å; W325-V329 WeakPolarHBondContact O-CG2 3.42Å; W325-V329 PolarHBondContact O-N 2.83Å
326	D	82.1	Confident	69.6	Low	94 Å²	94	101.3 Å²	101.3	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-34.2	178.3	-68.9	-26.3	0	0	0	112.1	N322 N330	N322-D326 PolarHBondContact O-N 3.05Å; D326-N330 WeakPolarHBondContact O-CB 3.44Å; D326-N330 PolarHBondContact O-N 3.08Å; D326-N330 VanDerWaalsContact O-N 3.14Å; D326-N330 PolarHBondContact O-ND2 3.01Å
327	A	80.4	Confident	69.4	Low	50 Å²	50	99.4 Å²	99.4	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-42.1	173	0	0	0	0	0	112.3	A323 I324 W325 N330 Q331	A323-A327 VanDerWaalsContact O-CB 3.3Å; A323-A327 WeakPolarHBondContact O-CB 3.31Å; A323-A327 PolarHBondContact O-N 2.86Å; A323-A327 VanDerWaalsContact O-N 3.13Å; I324-A327 PolarHBondContact O-N 3.19Å; W325-A327 VanDerWaalsContact C-N 3.28Å; W325-A327 PolarHBondContact O-N 3.2Å; A327-N330 PolarHBondContact O-N 2.81Å; A327-Q331 WeakPolarHBondContact O-CG 3.19Å; A327-Q331 PolarHBondContact O-N 3.37Å; A327-Q331 VanDerWaalsContact O-N 3.13Å
328	A	75.2	Confident	69.2	Low	58 Å²	58	103.7 Å²	103.7	48%	0.479	60%	0.595	S	S	.	*	H	α-helix	trans	-65.4	-43.6	177.8	0	0	0	0	0	112.2	I324 W325 N330 Q331 S332	I324-A328 PolarHBondContact O-N 3.36Å; W325-A328 PolarHBondContact O-N 3.34Å; W325-A328 VanDerWaalsContact O-N 3.13Å; A328-N330 PolarHBondContact O-N 3.02Å; A328-Q331 PolarHBondContact O-N 3.08Å; A328-S332 PolarHBondContact O-N 2.96Å
329	V	76.7	Confident	68.8	Low	70 Å²	70	107.4 Å²	107.4	42%	0.424	62%	0.616	S	S	.	*	H	α-helix	trans	-63.2	-40	177.3	173.3	0	0	0	0	111.8	W325 S332 S333	W325-V329 WeakPolarHBondContact O-CG2 3.42Å; W325-V329 PolarHBondContact O-N 2.83Å; V329-S332 PolarHBondContact O-N 3.01Å; V329-S332 PolarHBondContact O-OG 3.04Å; V329-S333 PolarHBondContact O-N 2.92Å
330	N	71.9	Confident	68	Low	105 Å²	105	107.5 Å²	107.5	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-75.7	-20.4	178.6	-74.9	-64	0	0	0	114	D326 A327 A328 S333 S334	D326-N330 WeakPolarHBondContact O-CB 3.44Å; D326-N330 PolarHBondContact O-N 3.08Å; D326-N330 VanDerWaalsContact O-N 3.14Å; D326-N330 PolarHBondContact O-ND2 3.01Å; A327-N330 PolarHBondContact O-N 2.81Å; A328-N330 PolarHBondContact O-N 3.02Å; N330-S333 PolarHBondContact O-OG 3.03Å; N330-S334 PolarHBondContact O-OG 3.08Å
331	Q	65	Low	67.4	Low	143 Å²	143	111.5 Å²	111.5	67%	0.668	66%	0.663	S	S	*	*	H	α-helix	trans	-74.9	-31.8	169.3	-74.8	-177.1	7.2	0	0	112.2	A327 A328 S334 T335	A327-Q331 WeakPolarHBondContact O-CG 3.19Å; A327-Q331 PolarHBondContact O-N 3.37Å; A327-Q331 VanDerWaalsContact O-N 3.13Å; A328-Q331 PolarHBondContact O-N 3.08Å; Q331-S334 PolarHBondContact O-OG 2.8Å; Q331-T335 PolarHBondContact O-OG1 3.2Å
332	S	59.5	Low	67.3	Low	85 Å²	85	112.2 Å²	112.2	59%	0.594	67%	0.671	S	S	*	*	H	α-helix	trans	-71.2	-29.4	177.2	68.7	0	0	0	0	113.4	A328 V329	A328-S332 PolarHBondContact O-N 2.96Å; V329-S332 PolarHBondContact O-N 3.01Å; V329-S332 PolarHBondContact O-OG 3.04Å
333	S	59.9	Low	66.8	Low	88 Å²	88	113.2 Å²	113.2	62%	0.615	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-8.6	-177.1	61.6	0	0	0	0	115.3	V329 N330	V329-S333 PolarHBondContact O-N 2.92Å; N330-S333 PolarHBondContact O-OG 3.03Å
334	S	60.3	Low	66	Low	88 Å²	88	116.1 Å²	116.1	62%	0.615	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	2.4	-171.9	42.6	0	0	0	0	114.9	N330 Q331	N330-S334 PolarHBondContact O-OG 3.08Å; Q331-S334 PolarHBondContact O-OG 2.8Å
335	T	56.4	Low	65.3	Low	119 Å²	119	116.1 Å²	116.1	73%	0.73	70%	0.695	S	S	*	*	S	Bend	trans	-108.5	-0.5	-170.7	-38.6	0	0	0	0	114.8	Q331	Q331-T335 PolarHBondContact O-OG1 3.2Å
336	E	55.5	Low	64.5	Low	191 Å²	191	111.8 Å²	111.8	89%	0.893	70%	0.695	S	S	*	*	S	Bend	trans	-104.1	11	-177.5	-69.6	-166.2	118.1	0	0	115
337	A	57.9	Low	63.4	Low	88 Å²	88	112.9 Å²	112.9	73%	0.727	71%	0.707	S	S	*	*	S	Bend	trans	-135.3	58.8	-167.2	0	0	0	0	0	115.7
338	S	55.3	Low	62.2	Low	127 Å²	127	117.4 Å²	117.4	89%	0.888	73%	0.728	S	S	*	*			trans	-172.7	81.7	155.7	-80.6	0	0	0	0	112.2
339	D	55.4	Low	61.2	Low	163 Å²	163	122 Å²	122	87%	0.872	75%	0.748	S	S	*	*			trans	-149	75.7	165.9	-153.8	1.1	0	0	0	112.2
340	S	59	Low	59.9	Low	115 Å²	115	126.3 Å²	126.3	80%	0.804	77%	0.774	S	S	*	*			trans	-166.6	152.9	170.6	-82.9	0	0	0	0	108.7
341	P	62.3	Low	58.8	Low	204 Å²	204	128.3 Å²	128.3	100%	1.325	79%	0.794	S	S	*	*			trans	-77.5	0	-153.6	31	-38.2	0	0	0	116.6

Retrieved 341 of 341 residues in 78.1 ms (Link to these results)

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