A0A077Z1J4_TRITR Loading...

Polyglutamine-binding protein 1

AlphaFold DB , UniProt , Accession A0A077Z1J4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 256 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	65.9	Low	83.6	Confident	232 Å²	232	104.7 Å²	104.7	100%	1.143	57%	0.57	S	S	*	*				0	111.7	0	-65.3	-79.5	-161.3	0	0	107.7
2	P	81.9	Confident	83.7	Confident	129 Å²	129	102.9 Å²	102.9	84%	0.838	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-62.1	140.5	171.9	27	-32.4	0	0	0	109.7
3	L	82.2	Confident	83.6	Confident	92 Å²	92	110.1 Å²	110.1	48%	0.482	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-66.3	141.2	177.6	-71.4	168.7	0	0	0	110	L8 L11	L3-L8 HydrophobicContact CB-CD1 4.49Å; L3-L11 HydrophobicContact CD1-CD1 4.07Å
4	P	86.5	Confident	83.7	Confident	74 Å²	74	116.6 Å²	116.6	48%	0.481	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-56.3	140.8	173.7	-22.9	31.8	0	0	0	111.1	L6 L7 L8	P4-L6 PolarHBondContact O-N 2.97Å; P4-L6 VanDerWaalsContact O-N 3.1Å; P4-L7 PolarHBondContact O-N 3.1Å; P4-L8 PolarHBondContact O-N 3.09Å; P4-L8 VanDerWaalsContact O-N 3.09Å
5	P	84.9	Confident	83.4	Confident	116 Å²	116	113 Å²	113	75%	0.753	59%	0.593	S	S	*	*	H	α-helix	trans	-53.7	-38.1	-174.9	-25.9	32.1	0	0	0	113.5	L7 L8 A9	P5-L7 VanDerWaalsContact C-N 3.34Å; P5-L7 PolarHBondContact O-N 2.9Å; P5-L8 PolarHBondContact O-N 3.15Å; P5-A9 PolarHBondContact O-N 3.05Å
6	L	85.1	Confident	83.4	Confident	121 Å²	121	112.9 Å²	112.9	63%	0.634	59%	0.591	S	S	*	*	H	α-helix	trans	-66.2	-35.8	-179.4	-142.6	94.2	0	0	0	112.7	P4 R10	P4-L6 PolarHBondContact O-N 2.97Å; P4-L6 VanDerWaalsContact O-N 3.1Å; L6-R10 WeakPolarHBondContact O-CG 3.35Å; L6-R10 PolarHBondContact O-N 3.28Å
7	L	85.7	Confident	83.1	Confident	81 Å²	81	109.5 Å²	109.5	42%	0.424	58%	0.576	S	S	.	*	H	α-helix	trans	-75.3	-41.6	179.4	-130.8	171.7	0	0	0	110	P4 P5 A9 R10 L11	P4-L7 PolarHBondContact O-N 3.1Å; P5-L7 VanDerWaalsContact C-N 3.34Å; P5-L7 PolarHBondContact O-N 2.9Å; L7-A9 PolarHBondContact O-N 3.42Å; L7-R10 PolarHBondContact O-N 3.46Å; L7-R10 VanDerWaalsContact O-N 3.15Å; L7-L11 HydrophobicContact CD2-CD1 4.01Å; L7-L11 HydrophobicContact CD2-CD2 4.48Å; L7-L11 HydrophobicContact CD2-CG 4Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.45Å
8	L	85.9	Confident	82.4	Confident	59 Å²	59	114.3 Å²	114.3	31%	0.309	59%	0.591	S	S	.	*	H	α-helix	trans	-60	-45.5	177	-150	163	0	0	0	111	L3 P4 P5 R10 L11 K12	L3-L8 HydrophobicContact CB-CD1 4.49Å; P4-L8 PolarHBondContact O-N 3.09Å; P4-L8 VanDerWaalsContact O-N 3.09Å; P5-L8 PolarHBondContact O-N 3.15Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.96Å; L8-L11 PolarHBondContact O-N 3.29Å; L8-K12 HydrophobicContact CD2-CD 3.72Å; L8-K12 HydrophobicContact CD2-CG 3.97Å; L8-K12 WeakPolarHBondContact O-CB 3.45Å; L8-K12 WeakPolarHBondContact O-CG 3.42Å; L8-K12 PolarHBondContact O-N 3.28Å
9	A	85.2	Confident	81.4	Confident	49 Å²	49	113.5 Å²	113.5	41%	0.405	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-38.6	174.9	0	0	0	0	0	113	P5 L7 K13	P5-A9 PolarHBondContact O-N 3.05Å; L7-A9 PolarHBondContact O-N 3.42Å; A9-K13 WeakPolarHBondContact O-CG 3.41Å; A9-K13 PolarHBondContact O-N 3.23Å
10	R	88.1	Confident	80.2	Confident	161 Å²	161	113.9 Å²	113.9	61%	0.608	59%	0.588	S	S	*	*	H	α-helix	trans	-68.1	-40.3	176	-79.4	177.4	167.6	156.8	-1.8	112.4	L6 L7 L8 K13 R14	L6-R10 WeakPolarHBondContact O-CG 3.35Å; L6-R10 PolarHBondContact O-N 3.28Å; L7-R10 PolarHBondContact O-N 3.46Å; L7-R10 VanDerWaalsContact O-N 3.15Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.96Å; R10-K13 PolarHBondContact O-N 3.23Å; R10-R14 WeakPolarHBondContact O-CG 3.39Å; R10-R14 PolarHBondContact O-N 2.75Å; R10-R14 VanDerWaalsContact O-N 3.08Å
11	L	88.5	Confident	79	Confident	38 Å²	38	114.8 Å²	114.8	20%	0.199	59%	0.594	C	S	.	*	H	α-helix	trans	-69.1	-37.9	177.1	-67.6	174.2	0	0	0	112	L3 L7 L8 R14 G15 I16 V17	L3-L11 HydrophobicContact CD1-CD1 4.07Å; L7-L11 HydrophobicContact CD2-CD1 4.01Å; L7-L11 HydrophobicContact CD2-CD2 4.48Å; L7-L11 HydrophobicContact CD2-CG 4Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 3.29Å; L11-R14 CarbonylContact O-C 3.5Å; L11-R14 PolarHBondContact O-N 3.08Å; L11-G15 PolarHBondContact O-N 3.03Å; L11-I16 HydrophobicContact CB-CB 4.5Å; L11-I16 HydrophobicContact CD2-CB 4.39Å; L11-I16 HydrophobicContact CD2-CD1 3.65Å; L11-I16 HydrophobicContact CD2-CG2 4.41Å; L11-I16 PolarHBondContact O-N 3.22Å; L11-V17 HydrophobicContact CB-CG2 3.88Å; L11-V17 HydrophobicContact CD1-CG2 4.5Å
12	K	84.9	Confident	78.6	Confident	83 Å²	83	112.8 Å²	112.8	36%	0.361	57%	0.573	S	S	.	*	H	α-helix	trans	-59.5	-48.6	170.4	-78	179.9	168.4	-160.2	0	111.5	L8 R14 G15 V17 E19	L8-K12 HydrophobicContact CD2-CD 3.72Å; L8-K12 HydrophobicContact CD2-CG 3.97Å; L8-K12 WeakPolarHBondContact O-CB 3.45Å; L8-K12 WeakPolarHBondContact O-CG 3.42Å; L8-K12 PolarHBondContact O-N 3.28Å; K12-R14 PolarHBondContact O-N 3.4Å; K12-G15 PolarHBondContact O-N 2.9Å; K12-V17 HydrophobicContact CG-CB 4.27Å; K12-V17 HydrophobicContact CG-CG1 4.4Å; K12-E19 HydrophobicContact CD-CG 4.33Å; K12-E19 WeakPolarHBondContact CD-OE1 3.31Å; K12-E19 VanDerWaalsContact CE-OE1 3.31Å; K12-E19 WeakPolarHBondContact CE-OE1 3.45Å; K12-E19 IonicContact NZ-OE1 2.75Å; K12-E19 PolarHBondContact NZ-OE1 3.43Å
13	K	82.3	Confident	77.2	Confident	196 Å²	196	114.4 Å²	114.4	85%	0.852	57%	0.567	S	S	*	*	H	α-helix	trans	-62.5	-25	176.1	-76.5	-175.1	178.8	-173.3	0	113.8	A9 R10 G15	A9-K13 WeakPolarHBondContact O-CG 3.41Å; A9-K13 PolarHBondContact O-N 3.23Å; R10-K13 PolarHBondContact O-N 3.23Å; K13-G15 VanDerWaalsContact C-N 3.34Å
14	R	85.3	Confident	75.9	Confident	202 Å²	202	118.2 Å²	118.2	76%	0.762	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	0.2	174.6	-73.3	-175.3	172.5	-175.8	-2.5	113.6	R10 L11 K12 I16	R10-R14 WeakPolarHBondContact O-CG 3.39Å; R10-R14 PolarHBondContact O-N 2.75Å; R10-R14 VanDerWaalsContact O-N 3.08Å; L11-R14 CarbonylContact O-C 3.5Å; L11-R14 PolarHBondContact O-N 3.08Å; K12-R14 PolarHBondContact O-N 3.4Å; R14-I16 HydrophobicContact CB-CD1 3.74Å; R14-I16 HydrophobicContact CB-CG1 4Å; R14-I16 PolarHBondContact O-N 3.01Å
15	G	78	Confident	74.6	Confident	62 Å²	62	122.6 Å²	122.6	64%	0.639	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.8	14.4	-178.9	0	0	0	0	0	114.3	L11 K12 K13	L11-G15 PolarHBondContact O-N 3.03Å; K12-G15 PolarHBondContact O-N 2.9Å; K13-G15 VanDerWaalsContact C-N 3.34Å
16	I	84.6	Confident	73.6	Confident	112 Å²	112	124.8 Å²	124.8	57%	0.574	60%	0.6	S	S	*	*	S	Bend	trans	-79.2	-31.9	-178.9	-62	163.9	0	0	0	110.4	L11 R14	L11-I16 HydrophobicContact CB-CB 4.5Å; L11-I16 HydrophobicContact CD2-CB 4.39Å; L11-I16 HydrophobicContact CD2-CD1 3.65Å; L11-I16 HydrophobicContact CD2-CG2 4.41Å; L11-I16 PolarHBondContact O-N 3.22Å; R14-I16 HydrophobicContact CB-CD1 3.74Å; R14-I16 HydrophobicContact CB-CG1 4Å; R14-I16 PolarHBondContact O-N 3.01Å
17	V	78.4	Confident	72.3	Confident	54 Å²	54	125.6 Å²	125.6	33%	0.327	60%	0.604	S	S	.	*	S	Bend	trans	-109	112.6	176.9	177.9	0	0	0	0	107.8	L11 K12	L11-V17 HydrophobicContact CB-CG2 3.88Å; L11-V17 HydrophobicContact CD1-CG2 4.5Å; K12-V17 HydrophobicContact CG-CB 4.27Å; K12-V17 HydrophobicContact CG-CG1 4.4Å
18	K	69.5	Low	71	Confident	196 Å²	196	126 Å²	126	85%	0.852	62%	0.619	S	S	*	*			trans	-69.1	126.6	169.3	-79.8	180	173.6	-179.6	0	108.4
19	E	63.1	Low	69.6	Low	100 Å²	100	131.2 Å²	131.2	47%	0.467	64%	0.642	S	S	.	*			trans	-67.7	135.2	166.4	-67.8	-168	144.7	0	0	107.6	K12 D21	K12-E19 HydrophobicContact CD-CG 4.33Å; K12-E19 WeakPolarHBondContact CD-OE1 3.31Å; K12-E19 VanDerWaalsContact CE-OE1 3.31Å; K12-E19 WeakPolarHBondContact CE-OE1 3.45Å; K12-E19 IonicContact NZ-OE1 2.75Å; K12-E19 PolarHBondContact NZ-OE1 3.43Å; E19-D21 VanDerWaalsContact C-N 3.31Å; E19-D21 PolarHBondContact O-N 2.71Å
20	D	57.7	Low	67.8	Low	120 Å²	120	133.8 Å²	133.8	64%	0.642	66%	0.657	S	S	*	*			trans	-60.9	104.1	161	-85.8	-17	0	0	0	105.6	R22	D20-R22 HydrophobicContact CB-CG 4.36Å; D20-R22 PolarHBondContact O-N 2.94Å; D20-R22 IonicContact OD1-NH2 3.93Å; D20-R22 IonicContact OD2-CZ 2.71Å; D20-R22 IonicContact OD2-NE 3.55Å; D20-R22 PolarHBondContact OD2-NE 3.48Å; D20-R22 IonicContact OD2-NH2 3.88Å; D20-R22 PolarHBondContact OD2-NH2 2.81Å
21	D	55.1	Low	66.1	Low	134 Å²	134	136.3 Å²	136.3	72%	0.717	67%	0.668	S	S	*	*			trans	-65.8	28.3	-179.4	-67.3	-47.4	0	0	0	113.1	E19 K23	E19-D21 VanDerWaalsContact C-N 3.31Å; E19-D21 PolarHBondContact O-N 2.71Å; D21-K23 PolarHBondContact O-N 3Å
22	R	58.7	Low	64.5	Low	190 Å²	190	139.9 Å²	139.9	72%	0.717	69%	0.687	S	S	*	*			trans	-73.1	56.5	167.2	-55.2	-178.6	-127.1	-122.2	1.6	109	D20 E24	D20-R22 HydrophobicContact CB-CG 4.36Å; D20-R22 PolarHBondContact O-N 2.94Å; D20-R22 IonicContact OD1-NH2 3.93Å; D20-R22 IonicContact OD2-CZ 2.71Å; D20-R22 IonicContact OD2-NE 3.55Å; D20-R22 PolarHBondContact OD2-NE 3.48Å; D20-R22 IonicContact OD2-NH2 3.88Å; D20-R22 PolarHBondContact OD2-NH2 2.81Å; R22-E24 PolarHBondContact O-N 2.74Å
23	K	50.7	Low	63	Low	162 Å²	162	141 Å²	141	70%	0.704	70%	0.697	S	S	*	*			trans	-69.2	93.9	156	-70.3	175.3	-176	169	0	103.9	D21 E25	D21-K23 PolarHBondContact O-N 3Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 2.88Å
24	E	56.3	Low	61.4	Low	172 Å²	172	135 Å²	135	80%	0.804	69%	0.691	S	S	*	*			trans	-53	105.8	165.5	-68.1	173.5	179.4	0	0	105.8	R22 I26	R22-E24 PolarHBondContact O-N 2.74Å; E24-I26 VanDerWaalsContact C-N 3.33Å; E24-I26 PolarHBondContact O-N 2.9Å
25	E	59.1	Low	59.5	Low	167 Å²	167	134.4 Å²	134.4	78%	0.78	69%	0.688	S	S	*	*			trans	-62.7	102	176	-67.3	-178.3	173.7	0	0	106.2	K23 I27	K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 2.88Å; E25-I27 PolarHBondContact O-N 3.08Å
26	I	64.4	Low	58.1	Low	162 Å²	162	137.4 Å²	137.4	83%	0.831	69%	0.694	S	S	*	*			trans	-67.5	91.6	171.4	-63.8	156.3	0	0	0	104.9	E24 A28	E24-I26 VanDerWaalsContact C-N 3.33Å; E24-I26 PolarHBondContact O-N 2.9Å; I26-A28 PolarHBondContact O-N 2.84Å; I26-A28 VanDerWaalsContact O-N 3.08Å
27	I	56.4	Low	56.3	Low	137 Å²	137	139.9 Å²	139.9	70%	0.703	70%	0.701	S	S	*	*			trans	-61.4	115.5	171.2	-58.4	120.2	0	0	0	105	E25 E29	E25-I27 PolarHBondContact O-N 3.08Å; I27-E29 PolarHBondContact O-N 2.96Å
28	A	58.3	Low	54.7	Low	90 Å²	90	148.3 Å²	148.3	74%	0.744	73%	0.727	S	S	*	*			trans	-62.3	90.8	167.4	0	0	0	0	0	106.6	I26 S30	I26-A28 PolarHBondContact O-N 2.84Å; I26-A28 VanDerWaalsContact O-N 3.08Å; A28-S30 VanDerWaalsContact C-N 3.3Å; A28-S30 PolarHBondContact O-N 3.48Å
29	E	57.6	Low	53.7	Low	168 Å²	168	142.9 Å²	142.9	79%	0.785	71%	0.71	S	S	*	*			trans	-55.5	105.4	162.2	-66.2	-176.6	177.7	0	0	105.2	I27 Y31	I27-E29 PolarHBondContact O-N 2.96Å; E29-Y31 PolarHBondContact O-N 3.46Å
30	S	47.6	Very low	52.8	Low	104 Å²	104	139.7 Å²	139.7	73%	0.727	70%	0.704	S	S	*	*			trans	-58.5	114.3	176	53.8	0	0	0	0	106.5	A28 D32	A28-S30 VanDerWaalsContact C-N 3.3Å; A28-S30 PolarHBondContact O-N 3.48Å; S30-D32 PolarHBondContact O-N 3.46Å
31	Y	51.4	Low	52.5	Low	214 Å²	214	139.1 Å²	139.1	84%	0.839	70%	0.701	S	S	*	*			trans	-56.7	85.3	164.5	-83	-106.1	0	0	0	107.7	E29 D33	E29-Y31 PolarHBondContact O-N 3.46Å; Y31-D33 VanDerWaalsContact C-N 3.34Å; Y31-D33 PolarHBondContact O-N 2.64Å; Y31-D33 VanDerWaalsContact O-N 3.14Å
32	D	54.5	Low	52.4	Low	112 Å²	112	139.8 Å²	139.8	60%	0.599	70%	0.7	S	S	*	*			trans	-77.7	94.2	169.1	-167.5	10.4	0	0	0	105.3	S30 G34	S30-D32 PolarHBondContact O-N 3.46Å; D32-G34 PolarHBondContact O-N 3.34Å
33	D	53.3	Low	52.1	Low	108 Å²	108	135.1 Å²	135.1	58%	0.578	69%	0.689	S	S	*	*			trans	-66.2	43.3	-172.2	-72.9	-25.8	0	0	0	113.3	Y31 R35	Y31-D33 VanDerWaalsContact C-N 3.34Å; Y31-D33 PolarHBondContact O-N 2.64Å; Y31-D33 VanDerWaalsContact O-N 3.14Å; D33-R35 PolarHBondContact O-N 3.15Å
34	G	48.9	Very low	52	Low	69 Å²	69	132.8 Å²	132.8	71%	0.711	68%	0.676	S	S	*	*	S	Bend	trans	54.1	1.8	168.4	0	0	0	0	0	116.7	D32 V36	D32-G34 PolarHBondContact O-N 3.34Å; G34-V36 PolarHBondContact O-N 3.2Å
35	R	46.3	Very low	51.6	Low	189 Å²	189	134 Å²	134	71%	0.713	67%	0.673	S	S	*	*			trans	-76.2	91.1	177.5	-98.8	-171.4	-79.7	-126	-3.4	104	D33 K37	D33-R35 PolarHBondContact O-N 3.15Å; R35-K37 PolarHBondContact O-N 2.76Å
36	V	48.4	Very low	51.4	Low	126 Å²	126	132.6 Å²	132.6	76%	0.764	67%	0.667	S	S	*	*			trans	-20.6	106.6	163.6	178.9	0	0	0	0	107.2	G34 R38	G34-V36 PolarHBondContact O-N 3.2Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 3.25Å
37	K	45.6	Very low	50.7	Low	164 Å²	164	126 Å²	126	71%	0.713	64%	0.636	S	S	*	*			trans	-44.1	104	-178.5	-80.9	172.2	176.2	164.7	0	106.4	R35 V39	R35-K37 PolarHBondContact O-N 2.76Å; K37-V39 PolarHBondContact O-N 2.89Å
38	R	45.9	Very low	50.5	Low	230 Å²	230	123 Å²	123	87%	0.868	62%	0.621	S	S	*	*			trans	-69.5	93.7	171.1	-66.6	-167.4	-162.3	-177.5	5.5	102.6	V36 G40	V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 3.25Å; R38-G40 PolarHBondContact O-N 3.03Å
39	V	48.6	Very low	50.6	Low	82 Å²	82	124.7 Å²	124.7	50%	0.497	61%	0.612	S	S	.	*			trans	-36.2	117.3	174.6	176.1	0	0	0	0	106.5	K37 D43	K37-V39 PolarHBondContact O-N 2.89Å; V39-D43 HydrophobicContact CG1-CB 3.31Å
40	G	43.6	Very low	51	Low	34 Å²	34	121.2 Å²	121.2	35%	0.351	60%	0.602	S	S	.	*			trans	-54.3	153.9	-169.3	0	0	0	0	0	110.4	R38 E42 D43 R44	R38-G40 PolarHBondContact O-N 3.03Å; G40-E42 PolarHBondContact O-N 3.43Å; G40-D43 PolarHBondContact N-OD2 2.99Å; G40-D43 CarbonylContact O-C 3.3Å; G40-D43 WeakPolarHBondContact O-CA 3.48Å; G40-D43 WeakPolarHBondContact O-CB 3.24Å; G40-D43 PolarHBondContact O-N 2.84Å; G40-R44 WeakPolarHBondContact O-CB 3.28Å; G40-R44 PolarHBondContact O-N 3.25Å
41	N	51.7	Low	52.5	Low	107 Å²	107	116.5 Å²	116.5	57%	0.572	57%	0.57	S	S	*	*	H	α-helix	trans	-53.7	-31.6	-176.8	-99	-10.6	0	0	0	113.3	R44 R45	N41-R44 PolarHBondContact O-N 3.24Å; N41-R44 PolarHBondContact OD1-NH1 3.37Å; N41-R44 VanDerWaalsContact OD1-NH1 3.1Å; N41-R44 PolarHBondContact OD1-NH2 3.04Å; N41-R45 WeakPolarHBondContact O-CG 3.47Å; N41-R45 PolarHBondContact O-N 2.74Å
42	E	52.4	Low	54.1	Low	149 Å²	149	106.3 Å²	106.3	70%	0.696	53%	0.53	S	S	*	.	H	α-helix	trans	-73.6	-46.3	175.5	-61.6	-169.4	154	0	0	112.2	G40 R44 R45 Q46	G40-E42 PolarHBondContact O-N 3.43Å; E42-R44 PolarHBondContact O-N 2.92Å; E42-R45 WeakPolarHBondContact O-CB 3.42Å; E42-R45 PolarHBondContact O-N 2.88Å; E42-R45 VanDerWaalsContact O-N 3.09Å; E42-Q46 PolarHBondContact O-N 3.33Å
43	D	52.6	Low	55.7	Low	92 Å²	92	103 Å²	103	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-58.3	-34.5	170.4	-61.9	-33.6	0	0	0	110.7	V39 G40 Q46 A47	V39-D43 HydrophobicContact CG1-CB 3.31Å; G40-D43 PolarHBondContact N-OD2 2.99Å; G40-D43 CarbonylContact O-C 3.3Å; G40-D43 WeakPolarHBondContact O-CA 3.48Å; G40-D43 WeakPolarHBondContact O-CB 3.24Å; G40-D43 PolarHBondContact O-N 2.84Å; D43-Q46 PolarHBondContact O-N 2.94Å; D43-A47 WeakPolarHBondContact O-CA 3.24Å; D43-A47 WeakPolarHBondContact O-CB 3.41Å; D43-A47 PolarHBondContact O-N 3.43Å
44	R	48.7	Very low	57.5	Low	112 Å²	112	98 Å²	98	42%	0.423	49%	0.489	S	S	.	.	H	α-helix	trans	-67.7	-40.6	176.6	-160.8	174.4	78.9	-158.9	6	110.8	G40 N41 E42 L48	G40-R44 WeakPolarHBondContact O-CB 3.28Å; G40-R44 PolarHBondContact O-N 3.25Å; N41-R44 PolarHBondContact O-N 3.24Å; N41-R44 PolarHBondContact OD1-NH1 3.37Å; N41-R44 VanDerWaalsContact OD1-NH1 3.1Å; N41-R44 PolarHBondContact OD1-NH2 3.04Å; E42-R44 PolarHBondContact O-N 2.92Å; R44-L48 HydrophobicContact CG-CD1 4.26Å; R44-L48 WeakPolarHBondContact O-CB 3.43Å; R44-L48 WeakPolarHBondContact O-CD1 3.44Å; R44-L48 PolarHBondContact O-N 2.69Å
45	R	48.9	Very low	59.5	Low	198 Å²	198	94.9 Å²	94.9	75%	0.747	46%	0.456	S	S	*	.	H	α-helix	trans	-66	-42.9	173.5	-76.9	178.9	176.4	172	-1.1	112.3	N41 E42 L48 F49	N41-R45 WeakPolarHBondContact O-CG 3.47Å; N41-R45 PolarHBondContact O-N 2.74Å; E42-R45 WeakPolarHBondContact O-CB 3.42Å; E42-R45 PolarHBondContact O-N 2.88Å; E42-R45 VanDerWaalsContact O-N 3.09Å; R45-L48 VanDerWaalsContact O-CB 3.28Å; R45-L48 WeakPolarHBondContact O-CB 3.25Å; R45-L48 PolarHBondContact O-N 3.39Å; R45-F49 PolarHBondContact O-N 3.1Å
46	Q	54.1	Low	61.5	Low	138 Å²	138	89.1 Å²	89.1	65%	0.645	44%	0.443	S	S	*	.	H	α-helix	trans	-69.1	-40.4	176.3	-71.8	177.6	6.5	0	0	111.7	E42 D43 L48 F49 T50	E42-Q46 PolarHBondContact O-N 3.33Å; D43-Q46 PolarHBondContact O-N 2.94Å; Q46-L48 PolarHBondContact O-N 3.38Å; Q46-F49 WeakPolarHBondContact O-CB 3.38Å; Q46-F49 PolarHBondContact O-N 3.46Å; Q46-T50 PolarHBondContact O-N 3.43Å
47	A	49.4	Very low	63.3	Low	24 Å²	24	86 Å²	86	20%	0.198	42%	0.422	C	S	.	.	H	α-helix	trans	-63.3	-31.7	173	0	0	0	0	0	111.7	D43 F49 T50 G51 F70	D43-A47 WeakPolarHBondContact O-CA 3.24Å; D43-A47 WeakPolarHBondContact O-CB 3.41Å; D43-A47 PolarHBondContact O-N 3.43Å; A47-F49 VanDerWaalsContact C-N 3.25Å; A47-F49 PolarHBondContact O-N 3.1Å; A47-T50 PolarHBondContact O-N 2.93Å; A47-T50 PolarHBondContact O-OG1 2.74Å; A47-G51 CarbonylContact O-C 3.54Å; A47-G51 WeakPolarHBondContact O-CA 3.47Å; A47-G51 PolarHBondContact O-N 3.34Å; A47-F70 HydrophobicContact CB-CE1 4.02Å; A47-F70 HydrophobicContact CB-CZ 4.05Å
48	L	52.9	Low	65	Low	73 Å²	73	81.3 Å²	81.3	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-35.4	171.5	-110.4	76.8	0	0	0	111.8	R44 R45 Q46 G51 F70	R44-L48 HydrophobicContact CG-CD1 4.26Å; R44-L48 WeakPolarHBondContact O-CB 3.43Å; R44-L48 WeakPolarHBondContact O-CD1 3.44Å; R44-L48 PolarHBondContact O-N 2.69Å; R45-L48 VanDerWaalsContact O-CB 3.28Å; R45-L48 WeakPolarHBondContact O-CB 3.25Å; R45-L48 PolarHBondContact O-N 3.39Å; Q46-L48 PolarHBondContact O-N 3.38Å; L48-G51 PolarHBondContact O-N 3.03Å; L48-F70 HydrophobicContact CD1-CE2 3.89Å; L48-F70 HydrophobicContact CD1-CZ 4.35Å
49	F	59.8	Low	66.7	Low	126 Å²	126	74.2 Å²	74.2	55%	0.553	39%	0.385	S	S	*	.	H	α-helix	trans	-69.7	-40.8	179.2	-171.3	-98.1	0	0	0	112.7	R45 Q46 A47 K146	R45-F49 PolarHBondContact O-N 3.1Å; Q46-F49 WeakPolarHBondContact O-CB 3.38Å; Q46-F49 PolarHBondContact O-N 3.46Å; A47-F49 VanDerWaalsContact C-N 3.25Å; A47-F49 PolarHBondContact O-N 3.1Å; F49-K146 HydrophobicContact CZ-CB 4.18Å; F49-K146 HydrophobicContact CZ-CD 4.18Å; F49-K146 HydrophobicContact CZ-CG 4.16Å
50	T	67.4	Low	68.4	Low	95 Å²	95	73 Å²	73	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-81	-18.3	172.8	48.4	0	0	0	0	113.4	Q46 A47 K58	Q46-T50 PolarHBondContact O-N 3.43Å; A47-T50 PolarHBondContact O-N 2.93Å; A47-T50 PolarHBondContact O-OG1 2.74Å; T50-K58 PolarHBondContact O-NZ 3.15Å
51	G	77.7	Confident	70.1	Confident	5 Å²	5	72.9 Å²	72.9	5%	0.052	37%	0.369	C	S	.	.			trans	67.2	162.7	-171.2	0	0	0	0	0	113.9	A47 L48 K58 C65	A47-G51 CarbonylContact O-C 3.54Å; A47-G51 WeakPolarHBondContact O-CA 3.47Å; A47-G51 PolarHBondContact O-N 3.34Å; L48-G51 PolarHBondContact O-N 3.03Å; G51-K58 PolarHBondContact O-NZ 2.82Å; G51-C65 WeakPolarHBondContact CA-SG 3.47Å
52	A	86.5	Confident	71.5	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.373	C	S	.	.			trans	-50.8	127.5	177	0	0	0	0	0	110.9	G54 C55 K58 C65 C69 F70	A52-G54 PolarHBondContact O-N 3.38Å; A52-G54 VanDerWaalsContact O-N 3.14Å; A52-C55 HydrophobicContact CB-CB 4.17Å; A52-C55 VanDerWaalsContact O-CB 3.28Å; A52-C55 WeakPolarHBondContact O-CB 3.33Å; A52-C55 PolarHBondContact O-N 3.37Å; A52-K58 WeakPolarHBondContact O-CE 3.19Å; A52-K58 PolarHBondContact O-NZ 2.74Å; A52-C65 PolarHBondContact N-SG 3Å; A52-C65 VanDerWaalsContact N-SG 3.43Å; A52-C69 HydrophobicContact CB-CB 4.14Å; A52-F70 VanDerWaalsContact CA-CE1 3.45Å; A52-F70 HydrophobicContact CB-CB 4.38Å; A52-F70 HydrophobicContact CB-CD1 3.57Å; A52-F70 HydrophobicContact CB-CD2 4.2Å; A52-F70 HydrophobicContact CB-CE1 3.79Å; A52-F70 HydrophobicContact CB-CE2 4.38Å; A52-F70 HydrophobicContact CB-CG 3.79Å; A52-F70 HydrophobicContact CB-CZ 4.18Å
53	P	87.3	Confident	73	Confident	42 Å²	42	70.9 Å²	70.9	27%	0.273	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.1	-173.6	-27.9	33.9	0	0	0	114.2	K58 G74 G110	P53-K58 VanDerWaalsContact C-CE 3.5Å; P53-K58 WeakPolarHBondContact O-CE 3.27Å; P53-G74 WeakPolarHBondContact CD-O 3.39Å; P53-G110 PolarHBondContact O-N 3.12Å
54	G	91	Very high	74.2	Confident	3 Å²	3	71.5 Å²	71.5	3%	0.031	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.1	177.5	0	0	0	0	0	116.2	A52 P56 W73 G74 G110	A52-G54 PolarHBondContact O-N 3.38Å; A52-G54 VanDerWaalsContact O-N 3.14Å; G54-P56 VanDerWaalsContact O-CD 3.29Å; G54-P56 WeakPolarHBondContact O-CD 3.34Å; G54-W73 WeakPolarHBondContact O-CB 3.4Å; G54-G74 PolarHBondContact N-O 3.06Å; G54-G110 WeakPolarHBondContact O-CA 3.49Å
55	C	90.5	Very high	75.8	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.02	34%	0.335	C	S	.	.			trans	-67.4	119.4	-173.5	-177.1	0	0	0	0	111.7	A52 N57 K58 H63	A52-C55 HydrophobicContact CB-CB 4.17Å; A52-C55 VanDerWaalsContact O-CB 3.28Å; A52-C55 WeakPolarHBondContact O-CB 3.33Å; A52-C55 PolarHBondContact O-N 3.37Å; C55-N57 PolarHBondContact O-N 2.95Å; C55-N57 PolarHBondContact SG-N 2.88Å; C55-N57 VanDerWaalsContact SG-N 3.42Å; C55-K58 HydrophobicContact CB-CG 4.24Å; C55-K58 WeakPolarHBondContact O-CG 3.47Å; C55-K58 PolarHBondContact O-N 3.24Å; C55-H63 PolarHBondContact SG-NE2 3.21Å
56	P	88.8	Confident	77.5	Confident	68 Å²	68	60.9 Å²	60.9	44%	0.442	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.7	179	28.8	-35	0	0	0	112.9	G54 P59 W73	G54-P56 VanDerWaalsContact O-CD 3.29Å; G54-P56 WeakPolarHBondContact O-CD 3.34Å; P56-P59 WeakPolarHBondContact O-CD 3.49Å; P56-W73 HydrophobicContact CG-CD2 4.38Å; P56-W73 HydrophobicContact CG-CZ2 3.96Å
57	N	87.1	Confident	79	Confident	60 Å²	60	58.7 Å²	58.7	32%	0.321	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	7.9	-176.6	-158.7	24	0	0	0	113.1	C55 P59 N60 H63	C55-N57 PolarHBondContact O-N 2.95Å; C55-N57 PolarHBondContact SG-N 2.88Å; C55-N57 VanDerWaalsContact SG-N 3.42Å; N57-P59 VanDerWaalsContact C-N 3.35Å; N57-N60 WeakPolarHBondContact O-CB 3.44Å; N57-N60 PolarHBondContact O-N 3.36Å; N57-N60 VanDerWaalsContact O-N 3.13Å; N57-N60 WeakPolarHBondContact OD1-CB 3.37Å; N57-N60 PolarHBondContact OD1-ND2 2.89Å; N57-N60 VanDerWaalsContact OD1-ND2 3.1Å; N57-H63 HydrophobicContact CB-CB 4.25Å; N57-H63 VanDerWaalsContact CB-CD2 3.49Å; N57-H63 WeakPolarHBondContact CB-CD2 3.27Å; N57-H63 VanDerWaalsContact CG-CG 3.45Å; N57-H63 WeakPolarHBondContact ND2-CB 3.47Å; N57-H63 PolarHBondContact ND2-ND1 2.95Å; N57-H63 WeakPolarHBondContact O-CB 3.4Å
58	K	81	Confident	81	Confident	67 Å²	67	64.3 Å²	64.3	29%	0.291	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-39.3	170.5	-78.1	175.2	-172.7	-76.9	0	115.9	T50 G51 A52 P53 C55 N60	T50-K58 PolarHBondContact O-NZ 3.15Å; G51-K58 PolarHBondContact O-NZ 2.82Å; A52-K58 WeakPolarHBondContact O-CE 3.19Å; A52-K58 PolarHBondContact O-NZ 2.74Å; P53-K58 VanDerWaalsContact C-CE 3.5Å; P53-K58 WeakPolarHBondContact O-CE 3.27Å; C55-K58 HydrophobicContact CB-CG 4.24Å; C55-K58 WeakPolarHBondContact O-CG 3.47Å; C55-K58 PolarHBondContact O-N 3.24Å; K58-N60 PolarHBondContact O-N 2.85Å
59	P	80.7	Confident	82.8	Confident	80 Å²	80	61.2 Å²	61.2	52%	0.519	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15	-178.6	26.6	-34	0	0	0	113.6	P56 N57 P61 R144	P56-P59 WeakPolarHBondContact O-CD 3.49Å; N57-P59 VanDerWaalsContact C-N 3.35Å; P59-P61 WeakPolarHBondContact O-CD 3.35Å; P59-R144 PolarHBondContact O-NH2 2.91Å
60	N	85.2	Confident	84.2	Confident	58 Å²	58	57.9 Å²	57.9	31%	0.31	30%	0.302	S	S	.	.			trans	-78.7	113.6	179.1	-179.7	0.8	0	0	0	110.3	N57 K58 Y62 H63	N57-N60 WeakPolarHBondContact O-CB 3.44Å; N57-N60 PolarHBondContact O-N 3.36Å; N57-N60 VanDerWaalsContact O-N 3.13Å; N57-N60 WeakPolarHBondContact OD1-CB 3.37Å; N57-N60 PolarHBondContact OD1-ND2 2.89Å; N57-N60 VanDerWaalsContact OD1-ND2 3.1Å; K58-N60 PolarHBondContact O-N 2.85Å; N60-Y62 PolarHBondContact O-N 3.03Å; N60-Y62 VanDerWaalsContact O-N 3.13Å; N60-Y62 WeakPolarHBondContact OD1-CD2 3.47Å; N60-Y62 PolarHBondContact OD1-N 3.01Å; N60-Y62 VanDerWaalsContact OD1-N 3.1Å; N60-H63 HydrophobicContact CB-CB 3.99Å; N60-H63 WeakPolarHBondContact O-CB 3.36Å; N60-H63 PolarHBondContact O-N 3.09Å
61	P	78.1	Confident	85.3	Confident	30 Å²	30	61.6 Å²	61.6	20%	0.195	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	-178.1	-21.4	33.6	0	0	0	114	P59 H63 F148 F149	P59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-H63 VanDerWaalsContact C-N 3.33Å; P61-F148 HydrophobicContact CB-CB 4.46Å; P61-F148 HydrophobicContact CB-CD1 4.13Å; P61-F148 HydrophobicContact CB-CG 4.16Å; P61-F149 WeakPolarHBondContact O-CZ 3.41Å
62	Y	80.8	Confident	86.1	Confident	170 Å²	170	68.6 Å²	68.6	67%	0.667	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.2	-179	-55.2	-83.3	0	0	0	113	N60 F148	N60-Y62 PolarHBondContact O-N 3.03Å; N60-Y62 VanDerWaalsContact O-N 3.13Å; N60-Y62 WeakPolarHBondContact OD1-CD2 3.47Å; N60-Y62 PolarHBondContact OD1-N 3.01Å; N60-Y62 VanDerWaalsContact OD1-N 3.1Å; Y62-F148 AromaticContact CD1-CE1 3.7Å; Y62-F148 HydrophobicContact CD1-CE1 3.7Å; Y62-F148 AromaticContact CD1-CZ 3.57Å; Y62-F148 HydrophobicContact CD1-CZ 3.57Å; Y62-F148 AromaticContact CE1-CE1 3.76Å; Y62-F148 HydrophobicContact CE1-CE1 3.76Å; Y62-F148 AromaticContact CE1-CE2 3.79Å; Y62-F148 HydrophobicContact CE1-CE2 3.79Å; Y62-F148 AromaticContact CE1-CZ 3.11Å; Y62-F148 HydrophobicContact CE1-CZ 3.11Å; Y62-F148 AromaticContact CZ-CZ 3.81Å
63	H	84.5	Confident	86.3	Confident	44 Å²	44	73.9 Å²	73.9	20%	0.204	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-91.2	117.1	-178.4	-178.2	57	0	0	0	111.7	C55 N57 N60 P61 C65 C69	C55-H63 PolarHBondContact SG-NE2 3.21Å; N57-H63 HydrophobicContact CB-CB 4.25Å; N57-H63 VanDerWaalsContact CB-CD2 3.49Å; N57-H63 WeakPolarHBondContact CB-CD2 3.27Å; N57-H63 VanDerWaalsContact CG-CG 3.45Å; N57-H63 WeakPolarHBondContact ND2-CB 3.47Å; N57-H63 PolarHBondContact ND2-ND1 2.95Å; N57-H63 WeakPolarHBondContact O-CB 3.4Å; N60-H63 HydrophobicContact CB-CB 3.99Å; N60-H63 WeakPolarHBondContact O-CB 3.36Å; N60-H63 PolarHBondContact O-N 3.09Å; P61-H63 VanDerWaalsContact C-N 3.33Å; H63-C65 PolarHBondContact NE2-SG 2.96Å; H63-C69 VanDerWaalsContact CE1-SG 3.54Å
64	L	77.1	Confident	86.4	Confident	105 Å²	105	73 Å²	73	55%	0.55	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-98.7	124	163.5	-66.3	175.2	0	0	0	108.5	T66 F149	L64-T66 PolarHBondContact O-N 3.31Å; L64-F149 HydrophobicContact CD1-CE1 4.14Å; L64-F149 HydrophobicContact CD1-CZ 4.28Å; L64-F149 HydrophobicContact CD2-CE1 3.87Å; L64-F149 HydrophobicContact CD2-CE2 3.78Å; L64-F149 HydrophobicContact CD2-CZ 3.27Å; L64-F149 HydrophobicContact CG-CE1 4.11Å; L64-F149 HydrophobicContact CG-CZ 3.74Å
65	C	82.3	Confident	86.4	Confident	7 Å²	7	79.9 Å²	79.9	5%	0.047	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-64.3	127.2	174.5	-77.7	0	0	0	0	109.4	G51 A52 H63 C69 F70	G51-C65 WeakPolarHBondContact CA-SG 3.47Å; A52-C65 PolarHBondContact N-SG 3Å; A52-C65 VanDerWaalsContact N-SG 3.43Å; H63-C65 PolarHBondContact NE2-SG 2.96Å; C65-C69 HydrophobicContact CB-CB 4.07Å; C65-F70 HydrophobicContact CB-CE2 4.08Å
66	T	85.1	Confident	86.4	Confident	80 Å²	80	81 Å²	81	49%	0.491	40%	0.4	S	S	.	.			trans	-102.9	174.6	171.7	61.5	0	0	0	0	109.8	L64 Y68 C69 F70	L64-T66 PolarHBondContact O-N 3.31Å; T66-Y68 PolarHBondContact O-N 3.42Å; T66-Y68 VanDerWaalsContact O-N 3.12Å; T66-C69 WeakPolarHBondContact O-CB 3.39Å; T66-C69 PolarHBondContact O-N 2.95Å; T66-F70 VanDerWaalsContact O-CD2 3.28Å; T66-F70 WeakPolarHBondContact O-CD2 3.38Å
67	D	86.5	Confident	86.6	Confident	92 Å²	92	81.3 Å²	81.3	49%	0.492	40%	0.397	S	S	.	.	H	α-helix	trans	-53	-34.3	176.3	-64.2	-31.8	0	0	0	112.2	C69 F70 E71	D67-C69 VanDerWaalsContact C-N 3.28Å; D67-C69 PolarHBondContact O-N 2.91Å; D67-F70 PolarHBondContact O-N 3.04Å; D67-F70 VanDerWaalsContact O-N 3.16Å; D67-E71 PolarHBondContact O-N 3.01Å
68	Y	90.6	Very high	87	Confident	143 Å²	143	81.4 Å²	81.4	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-56.4	-38.9	173.1	174.9	-100.8	0	0	0	112.9	T66 E71 R72	T66-Y68 PolarHBondContact O-N 3.42Å; T66-Y68 VanDerWaalsContact O-N 3.12Å; Y68-E71 PolarHBondContact O-N 2.78Å; Y68-R72 HydrophobicContact CE1-CB 4.27Å; Y68-R72 HydrophobicContact CE1-CG 4.41Å; Y68-R72 HydrophobicContact CE2-CB 4.31Å; Y68-R72 WeakPolarHBondContact O-CB 3.31Å; Y68-R72 PolarHBondContact O-N 3.43Å
69	C	89.8	Confident	87.6	Confident	8 Å²	8	81.4 Å²	81.4	5%	0.054	41%	0.407	C	S	.	.	H	α-helix	trans	-67.6	-39	179.6	-61.3	0	0	0	0	111.7	A52 H63 C65 T66 D67 W73	A52-C69 HydrophobicContact CB-CB 4.14Å; H63-C69 VanDerWaalsContact CE1-SG 3.54Å; C65-C69 HydrophobicContact CB-CB 4.07Å; T66-C69 WeakPolarHBondContact O-CB 3.39Å; T66-C69 PolarHBondContact O-N 2.95Å; D67-C69 VanDerWaalsContact C-N 3.28Å; D67-C69 PolarHBondContact O-N 2.91Å; C69-W73 WeakPolarHBondContact O-CB 3.46Å; C69-W73 PolarHBondContact O-N 2.9Å
70	F	89.8	Confident	88.1	Confident	55 Å²	55	82.6 Å²	82.6	24%	0.241	42%	0.417	C	S	.	.	H	α-helix	trans	-68.2	-42.9	177.2	-68.5	-87.2	0	0	0	111.2	A47 L48 A52 C65 T66 D67 G74	A47-F70 HydrophobicContact CB-CE1 4.02Å; A47-F70 HydrophobicContact CB-CZ 4.05Å; L48-F70 HydrophobicContact CD1-CE2 3.89Å; L48-F70 HydrophobicContact CD1-CZ 4.35Å; A52-F70 VanDerWaalsContact CA-CE1 3.45Å; A52-F70 HydrophobicContact CB-CB 4.38Å; A52-F70 HydrophobicContact CB-CD1 3.57Å; A52-F70 HydrophobicContact CB-CD2 4.2Å; A52-F70 HydrophobicContact CB-CE1 3.79Å; A52-F70 HydrophobicContact CB-CE2 4.38Å; A52-F70 HydrophobicContact CB-CG 3.79Å; A52-F70 HydrophobicContact CB-CZ 4.18Å; C65-F70 HydrophobicContact CB-CE2 4.08Å; T66-F70 VanDerWaalsContact O-CD2 3.28Å; T66-F70 WeakPolarHBondContact O-CD2 3.38Å; D67-F70 PolarHBondContact O-N 3.04Å; D67-F70 VanDerWaalsContact O-N 3.16Å; F70-G74 WeakPolarHBondContact O-CA 3.24Å; F70-G74 PolarHBondContact O-N 2.88Å
71	E	91.4	Very high	88.6	Confident	173 Å²	173	85.7 Å²	85.7	81%	0.808	43%	0.433	S	S	*	.	H	α-helix	trans	-70.7	-41.8	178.8	-172.5	168.6	-153.2	0	0	112.2	D67 Y68	D67-E71 PolarHBondContact O-N 3.01Å; Y68-E71 PolarHBondContact O-N 2.78Å
72	R	93.3	Very high	89.3	Confident	152 Å²	152	85.1 Å²	85.1	57%	0.574	43%	0.428	S	S	*	.	H	α-helix	trans	-72.3	-40.8	-177.8	179.9	60.4	-175.1	-149.3	3.4	113.2	Y68	Y68-R72 HydrophobicContact CE1-CB 4.27Å; Y68-R72 HydrophobicContact CE1-CG 4.41Å; Y68-R72 HydrophobicContact CE2-CB 4.31Å; Y68-R72 WeakPolarHBondContact O-CB 3.31Å; Y68-R72 PolarHBondContact O-N 3.43Å
73	W	91.4	Very high	90	Very high	111 Å²	111	80.9 Å²	80.9	42%	0.42	42%	0.417	S	S	.	.	H	α-helix	trans	-116.5	-28.4	-170	-56.1	109.9	0	0	0	113.8	G54 P56 C69 E75 G76	G54-W73 WeakPolarHBondContact O-CB 3.4Å; P56-W73 HydrophobicContact CG-CD2 4.38Å; P56-W73 HydrophobicContact CG-CZ2 3.96Å; C69-W73 WeakPolarHBondContact O-CB 3.46Å; C69-W73 PolarHBondContact O-N 2.9Å; W73-E75 PolarHBondContact O-N 3.05Å; W73-G76 WeakPolarHBondContact O-CA 3.04Å; W73-G76 PolarHBondContact O-N 3.45Å
74	G	89.1	Confident	90.6	Very high	24 Å²	24	82.4 Å²	82.4	25%	0.247	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	-125.8	178.4	0	0	0	0	0	113.2	P53 G54 F70 G76	P53-G74 WeakPolarHBondContact CD-O 3.39Å; G54-G74 PolarHBondContact N-O 3.06Å; F70-G74 WeakPolarHBondContact O-CA 3.24Å; F70-G74 PolarHBondContact O-N 2.88Å; G74-G76 PolarHBondContact O-N 2.8Å
75	E	90.8	Very high	91.6	Very high	148 Å²	148	81.2 Å²	81.2	69%	0.692	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.1	177.6	-65.8	-57.2	140.7	0	0	114.1	W73 P109	W73-E75 PolarHBondContact O-N 3.05Å; E75-P109 WeakPolarHBondContact O-CB 3.09Å
76	G	91.8	Very high	92.3	Very high	27 Å²	27	82.6 Å²	82.6	28%	0.278	43%	0.431	S	S	.	.			trans	79.2	-159.1	178.4	0	0	0	0	0	114.4	W73 G74 P78	W73-G76 WeakPolarHBondContact O-CA 3.04Å; W73-G76 PolarHBondContact O-N 3.45Å; G74-G76 PolarHBondContact O-N 2.8Å; G76-P78 VanDerWaalsContact O-CD 3.3Å; G76-P78 WeakPolarHBondContact O-CD 3.34Å
77	L	92.8	Very high	92.9	Very high	73 Å²	73	80.2 Å²	80.2	38%	0.382	42%	0.415	S	S	.	.	S	Bend	trans	-74	118	-179.8	-173.7	68.5	0	0	0	109.2	L81 Y107 P109	L77-L81 HydrophobicContact CD1-CB 3.79Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CG-CB 4.43Å; L77-Y107 WeakPolarHBondContact O-CE1 3.47Å; L77-Y107 VanDerWaalsContact O-CZ 3.28Å; L77-Y107 PolarHBondContact O-OH 2.87Å; L77-P109 PolarHBondContact N-O 3.05Å
78	P	93.9	Very high	93.4	Very high	62 Å²	62	81.8 Å²	81.8	40%	0.403	41%	0.414	S	S	.	.			trans	-69.4	153.4	176	29.4	-36.6	0	0	0	111.3	G76 S80 L81	G76-P78 VanDerWaalsContact O-CD 3.3Å; G76-P78 WeakPolarHBondContact O-CD 3.34Å; P78-S80 PolarHBondContact O-N 2.72Å; P78-S80 VanDerWaalsContact O-N 3.12Å; P78-L81 HydrophobicContact CG-CB 4.29Å; P78-L81 HydrophobicContact CG-CD1 3.71Å; P78-L81 HydrophobicContact CG-CG 3.86Å; P78-L81 PolarHBondContact O-N 2.57Å; P78-L81 VanDerWaalsContact O-N 3.08Å
79	V	93.6	Very high	93.8	Very high	67 Å²	67	82.1 Å²	82.1	41%	0.406	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-58.8	-30.2	-176.5	-179.8	0	0	0	0	112.9	L81 I82 Y107 F114	V79-L81 VanDerWaalsContact C-N 3.28Å; V79-L81 PolarHBondContact O-N 3.02Å; V79-I82 HydrophobicContact CB-CD1 4.28Å; V79-I82 HydrophobicContact CG1-CD1 3.99Å; V79-I82 WeakPolarHBondContact O-CB 3.4Å; V79-I82 WeakPolarHBondContact O-CG1 3.24Å; V79-I82 PolarHBondContact O-N 3.14Å; V79-Y107 HydrophobicContact CG2-CD1 3.47Å; V79-Y107 VanDerWaalsContact CG2-CD1 3.47Å; V79-Y107 HydrophobicContact CG2-CD2 4.22Å; V79-Y107 HydrophobicContact CG2-CE1 3.59Å; V79-Y107 HydrophobicContact CG2-CE2 4.35Å; V79-Y107 HydrophobicContact CG2-CG 3.79Å; V79-F114 HydrophobicContact CG1-CZ 4.15Å
80	S	92.9	Very high	94.1	Very high	106 Å²	106	83 Å²	83	74%	0.741	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26.9	179.4	51.6	0	0	0	0	114	P78	P78-S80 PolarHBondContact O-N 2.72Å; P78-S80 VanDerWaalsContact O-N 3.12Å
81	L	94.8	Very high	94.5	Very high	122 Å²	122	87.9 Å²	87.9	64%	0.639	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-91.8	2.5	-178	-65.9	-178	0	0	0	113.4	L77 P78 V79	L77-L81 HydrophobicContact CD1-CB 3.79Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CG-CB 4.43Å; P78-L81 HydrophobicContact CG-CB 4.29Å; P78-L81 HydrophobicContact CG-CD1 3.71Å; P78-L81 HydrophobicContact CG-CG 3.86Å; P78-L81 PolarHBondContact O-N 2.57Å; P78-L81 VanDerWaalsContact O-N 3.08Å; V79-L81 VanDerWaalsContact C-N 3.28Å; V79-L81 PolarHBondContact O-N 3.02Å
82	I	93.5	Very high	94.8	Very high	19 Å²	19	86.4 Å²	86.4	10%	0.097	42%	0.42	C	S	.	.	S	Bend	trans	-71	138.2	178.8	-59.5	173.5	0	0	0	110.6	V79 S84 Y86 M87 Y107 F114	V79-I82 HydrophobicContact CB-CD1 4.28Å; V79-I82 HydrophobicContact CG1-CD1 3.99Å; V79-I82 WeakPolarHBondContact O-CB 3.4Å; V79-I82 WeakPolarHBondContact O-CG1 3.24Å; V79-I82 PolarHBondContact O-N 3.14Å; I82-S84 PolarHBondContact O-N 3.08Å; I82-Y86 HydrophobicContact CG2-CD1 3.35Å; I82-Y86 HydrophobicContact CG2-CE1 3.91Å; I82-Y86 HydrophobicContact CG2-CG 4.35Å; I82-M87 HydrophobicContact CB-CG 4.4Å; I82-M87 HydrophobicContact CB-SD 4.09Å; I82-M87 HydrophobicContact CD1-SD 4.1Å; I82-M87 HydrophobicContact CG2-CG 3.95Å; I82-M87 HydrophobicContact CG2-SD 3.7Å; I82-Y107 HydrophobicContact CD1-CD2 4.06Å; I82-Y107 HydrophobicContact CD1-CE2 3.27Å; I82-Y107 HydrophobicContact CG1-CE2 4.19Å; I82-F114 HydrophobicContact CD1-CE2 3.8Å
83	D	95.4	Very high	95	Very high	80 Å²	80	80.3 Å²	80.3	43%	0.428	40%	0.399	S	S	.	.			trans	-51.4	123.6	174.2	167.6	36.8	0	0	0	112.8	N85 Y86 M87	D83-N85 PolarHBondContact O-N 3.01Å; D83-N85 PolarHBondContact OD1-N 2.96Å; D83-N85 WeakPolarHBondContact OD2-CB 3.3Å; D83-Y86 WeakPolarHBondContact O-CB 3.18Å; D83-Y86 PolarHBondContact O-N 3.35Å; D83-Y86 VanDerWaalsContact O-N 3.09Å; D83-Y86 PolarHBondContact OD2-N 3.31Å; D83-M87 WeakPolarHBondContact O-CG 3.49Å; D83-M87 PolarHBondContact O-N 3.34Å
84	S	96.9	Very high	95.3	Very high	76 Å²	76	76.9 Å²	76.9	53%	0.531	39%	0.388	S	S	.	.	H	α-helix	trans	-56.9	-33.6	178	-175.8	0	0	0	0	112.5	I82 M87 R88	I82-S84 PolarHBondContact O-N 3.08Å; S84-M87 PolarHBondContact O-N 2.74Å; S84-R88 WeakPolarHBondContact O-CB 3.21Å; S84-R88 PolarHBondContact O-N 2.9Å
85	N	98	Very high	95.8	Very high	80 Å²	80	85.1 Å²	85.1	43%	0.428	41%	0.412	S	S	.	.	H	α-helix	trans	-70	-40.2	177.1	-70.1	-50.7	0	0	0	112.1	D83 R88 R89	D83-N85 PolarHBondContact O-N 3.01Å; D83-N85 PolarHBondContact OD1-N 2.96Å; D83-N85 WeakPolarHBondContact OD2-CB 3.3Å; N85-R88 PolarHBondContact O-N 2.95Å; N85-R88 PolarHBondContact OD1-NH1 2.58Å; N85-R89 WeakPolarHBondContact O-CB 3.47Å; N85-R89 WeakPolarHBondContact O-CG 3.45Å; N85-R89 PolarHBondContact O-N 3.43Å
86	Y	96.7	Very high	96.1	Very high	37 Å²	37	85.2 Å²	85.2	15%	0.145	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-47.8	169.3	166.5	-96.1	0	0	0	111.6	I82 D83 R88 R89 R90 R113 F114	I82-Y86 HydrophobicContact CG2-CD1 3.35Å; I82-Y86 HydrophobicContact CG2-CE1 3.91Å; I82-Y86 HydrophobicContact CG2-CG 4.35Å; D83-Y86 WeakPolarHBondContact O-CB 3.18Å; D83-Y86 PolarHBondContact O-N 3.35Å; D83-Y86 VanDerWaalsContact O-N 3.09Å; D83-Y86 PolarHBondContact OD2-N 3.31Å; Y86-R88 VanDerWaalsContact C-N 3.3Å; Y86-R88 PolarHBondContact O-N 3.48Å; Y86-R89 PolarHBondContact O-N 2.91Å; Y86-R89 VanDerWaalsContact O-N 3.15Å; Y86-R90 PolarHBondContact O-N 3.49Å; Y86-R113 HydrophobicContact CE2-CG 3.79Å; Y86-R113 WeakPolarHBondContact OH-CG 3.22Å; Y86-F114 AromaticContact CE1-CD2 3.96Å; Y86-F114 HydrophobicContact CE1-CD2 3.96Å; Y86-F114 PolarHBondContact OH-N 3.39Å
87	M	97	Very high	96.4	Very high	29 Å²	29	86.2 Å²	86.2	14%	0.143	41%	0.406	C	S	.	.	H	α-helix	trans	-57.7	-43.2	177.8	-61.8	-64.9	-75.4	0	0	111.6	I82 D83 S84 R90 R91 F114	I82-M87 HydrophobicContact CB-CG 4.4Å; I82-M87 HydrophobicContact CB-SD 4.09Å; I82-M87 HydrophobicContact CD1-SD 4.1Å; I82-M87 HydrophobicContact CG2-CG 3.95Å; I82-M87 HydrophobicContact CG2-SD 3.7Å; D83-M87 WeakPolarHBondContact O-CG 3.49Å; D83-M87 PolarHBondContact O-N 3.34Å; S84-M87 PolarHBondContact O-N 2.74Å; M87-R90 PolarHBondContact O-N 3.5Å; M87-R90 PolarHBondContact SD-NH1 2.84Å; M87-R91 WeakPolarHBondContact O-CG 3.19Å; M87-R91 PolarHBondContact O-N 2.85Å; M87-F114 HydrophobicContact CE-CE2 4.25Å; M87-F114 HydrophobicContact SD-CE2 3.97Å
88	R	98	Very high	96.6	Very high	125 Å²	125	86.1 Å²	86.1	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-45.2	175.9	-169.4	-171	-59.3	142.5	4.8	112.1	S84 N85 Y86 R90 R91 R92	S84-R88 WeakPolarHBondContact O-CB 3.21Å; S84-R88 PolarHBondContact O-N 2.9Å; N85-R88 PolarHBondContact O-N 2.95Å; N85-R88 PolarHBondContact OD1-NH1 2.58Å; Y86-R88 VanDerWaalsContact C-N 3.3Å; Y86-R88 PolarHBondContact O-N 3.48Å; R88-R90 VanDerWaalsContact C-N 3.35Å; R88-R91 PolarHBondContact O-N 2.9Å; R88-R92 WeakPolarHBondContact O-CB 3.43Å; R88-R92 PolarHBondContact O-N 3.44Å
89	R	97.9	Very high	96.7	Very high	151 Å²	151	85.7 Å²	85.7	57%	0.57	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-41	176.3	-75.2	-176.3	-66.4	170.1	-1.4	111.5	N85 Y86 R92 M93	N85-R89 WeakPolarHBondContact O-CB 3.47Å; N85-R89 WeakPolarHBondContact O-CG 3.45Å; N85-R89 PolarHBondContact O-N 3.43Å; Y86-R89 PolarHBondContact O-N 2.91Å; Y86-R89 VanDerWaalsContact O-N 3.15Å; R89-R92 PolarHBondContact O-N 2.78Å; R89-M93 WeakPolarHBondContact O-CB 3.18Å; R89-M93 PolarHBondContact O-N 2.87Å
90	R	96.8	Very high	96.8	Very high	27 Å²	27	84.2 Å²	84.2	10%	0.102	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-52.5	175.6	-171	-179.4	87.6	-112.5	12.1	111.5	Y86 M87 R88 R92 M93 L94 E105 F114 Y116	Y86-R90 PolarHBondContact O-N 3.49Å; M87-R90 PolarHBondContact O-N 3.5Å; M87-R90 PolarHBondContact SD-NH1 2.84Å; R88-R90 VanDerWaalsContact C-N 3.35Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 3.29Å; R90-M93 HydrophobicContact CG-CE 4.44Å; R90-M93 WeakPolarHBondContact O-CB 3.32Å; R90-M93 PolarHBondContact O-N 2.72Å; R90-M93 VanDerWaalsContact O-N 3.1Å; R90-L94 HydrophobicContact CG-CD1 4.26Å; R90-L94 PolarHBondContact O-N 3.31Å; R90-E105 VanDerWaalsContact CD-OE2 3.28Å; R90-E105 WeakPolarHBondContact CD-OE2 3.48Å; R90-E105 IonicContact CZ-OE1 3.94Å; R90-E105 IonicContact NE-OE1 3.19Å; R90-E105 PolarHBondContact NE-OE1 3.01Å; R90-E105 IonicContact NE-OE2 2.66Å; R90-E105 PolarHBondContact NE-OE2 3.02Å; R90-E105 IonicContact NH2-OE1 2.95Å; R90-E105 PolarHBondContact NH2-OE1 3.06Å; R90-F114 VanDerWaalsContact CZ-CD2 3.44Å; R90-F114 VanDerWaalsContact CZ-CE2 3.41Å; R90-Y116 WeakPolarHBondContact CG-OH 3.43Å
91	R	97.9	Very high	96.9	Very high	156 Å²	156	85 Å²	85	59%	0.589	39%	0.391	S	S	*	.	H	α-helix	trans	-59.3	-40.4	178.4	-67.2	-178	-142	146	3.6	112.3	M87 R88 L94 R95	M87-R91 WeakPolarHBondContact O-CG 3.19Å; M87-R91 PolarHBondContact O-N 2.85Å; R88-R91 PolarHBondContact O-N 2.9Å; R91-L94 PolarHBondContact O-N 2.87Å; R91-R95 WeakPolarHBondContact O-CB 2.93Å; R91-R95 PolarHBondContact O-N 3.34Å
92	R	98.5	Very high	96.9	Very high	142 Å²	142	79.6 Å²	79.6	54%	0.536	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-41.6	175.5	-172.3	-176.4	-66.2	151.9	-3.9	111.9	R88 R89 R90 R95 K96	R88-R92 WeakPolarHBondContact O-CB 3.43Å; R88-R92 PolarHBondContact O-N 3.44Å; R89-R92 PolarHBondContact O-N 2.78Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 3.29Å; R92-R95 PolarHBondContact O-N 3.14Å; R92-K96 PolarHBondContact O-N 2.84Å; R92-K96 VanDerWaalsContact O-N 3.15Å
93	M	97.8	Very high	97.1	Very high	25 Å²	25	80.1 Å²	80.1	12%	0.123	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-47.5	176.2	179.6	-83.9	-65.8	0	0	110.9	R89 R90 R95 K96 Y97 Y116 L128 S129	R89-M93 WeakPolarHBondContact O-CB 3.18Å; R89-M93 PolarHBondContact O-N 2.87Å; R90-M93 HydrophobicContact CG-CE 4.44Å; R90-M93 WeakPolarHBondContact O-CB 3.32Å; R90-M93 PolarHBondContact O-N 2.72Å; R90-M93 VanDerWaalsContact O-N 3.1Å; M93-R95 PolarHBondContact O-N 2.96Å; M93-K96 PolarHBondContact O-N 2.92Å; M93-Y97 HydrophobicContact CG-CD2 4.43Å; M93-Y97 PolarHBondContact O-N 3.21Å; M93-Y116 HydrophobicContact CE-CE2 3.75Å; M93-Y116 VanDerWaalsContact CE-OH 3.31Å; M93-Y116 WeakPolarHBondContact CE-OH 3.4Å; M93-L128 HydrophobicContact CE-CD2 4.45Å; M93-S129 VanDerWaalsContact SD-CB 3.58Å
94	L	98	Very high	97.2	Very high	39 Å²	39	82.8 Å²	82.8	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-66.2	-34.6	178.6	-70.5	175	0	0	0	113.4	R90 R91 K96 Y97 P98 L99 E105 Y116	R90-L94 HydrophobicContact CG-CD1 4.26Å; R90-L94 PolarHBondContact O-N 3.31Å; R91-L94 PolarHBondContact O-N 2.87Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-Y97 CarbonylContact O-C 3.59Å; L94-Y97 VanDerWaalsContact O-C 3.24Å; L94-P98 VanDerWaalsContact O-CA 3.24Å; L94-P98 WeakPolarHBondContact O-CA 3.4Å; L94-P98 VanDerWaalsContact O-N 3.12Å; L94-L99 HydrophobicContact CD2-CD1 4.44Å; L94-L99 HydrophobicContact CD2-CD2 3.99Å; L94-L99 HydrophobicContact CD2-CG 3.94Å; L94-E105 WeakPolarHBondContact CD1-OE2 3.43Å; L94-Y116 HydrophobicContact CD2-CE1 3.82Å
95	R	98	Very high	97.2	Very high	197 Å²	197	82.4 Å²	82.4	74%	0.743	36%	0.36	S	S	*	.	H	α-helix	trans	-65.4	-37.1	173.8	-173.3	173.4	65.5	-140.5	6.7	112.2	R91 R92 M93	R91-R95 WeakPolarHBondContact O-CB 2.93Å; R91-R95 PolarHBondContact O-N 3.34Å; R92-R95 PolarHBondContact O-N 3.14Å; M93-R95 PolarHBondContact O-N 2.96Å
96	K	98.3	Very high	97	Very high	149 Å²	149	79.6 Å²	79.6	65%	0.648	35%	0.348	S	S	*	.	H	α-helix	trans	-78.4	-35.9	177.9	-173.5	172.2	179	177.7	0	112.3	R92 M93 L94	R92-K96 PolarHBondContact O-N 2.84Å; R92-K96 VanDerWaalsContact O-N 3.15Å; M93-K96 PolarHBondContact O-N 2.92Å; L94-K96 VanDerWaalsContact C-N 3.33Å
97	Y	98.1	Very high	96.9	Very high	49 Å²	49	80 Å²	80	19%	0.192	35%	0.349	C	S	.	.	S	Bend	trans	-128.9	77.3	-176.9	-55.2	-75	0	0	0	109.1	M93 L94 S129 K131 H132	M93-Y97 HydrophobicContact CG-CD2 4.43Å; M93-Y97 PolarHBondContact O-N 3.21Å; L94-Y97 CarbonylContact O-C 3.59Å; L94-Y97 VanDerWaalsContact O-C 3.24Å; Y97-S129 WeakPolarHBondContact O-CB 3.41Å; Y97-S129 PolarHBondContact O-OG 3.39Å; Y97-K131 HydrophobicContact CD1-CB 4.39Å; Y97-K131 WeakPolarHBondContact CD1-O 3.28Å; Y97-H132 HydrophobicContact CD2-CB 4.23Å; Y97-H132 AromaticContact CD2-CD2 3.4Å; Y97-H132 WeakPolarHBondContact CD2-CD2 3.07Å; Y97-H132 AromaticContact CE2-CD2 3.34Å; Y97-H132 WeakPolarHBondContact CE2-CD2 3.34Å; Y97-H132 AromaticContact CE2-NE2 3.89Å; Y97-H132 HydrophobicContact CG-CB 4.24Å
98	P	97.3	Very high	96.7	Very high	71 Å²	71	80.1 Å²	80.1	46%	0.461	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.5	144.5	-178.7	25.3	-34.3	0	0	0	110.7	L94 K131	L94-P98 VanDerWaalsContact O-CA 3.24Å; L94-P98 WeakPolarHBondContact O-CA 3.4Å; L94-P98 VanDerWaalsContact O-N 3.12Å; P98-K131 WeakPolarHBondContact O-CD 3.04Å
99	L	96.2	Very high	96.4	Very high	53 Å²	53	75.6 Å²	75.6	28%	0.277	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-59.7	132.4	-179.6	-65.8	176.5	0	0	0	109.9	L94 W103 E105 Y116	L94-L99 HydrophobicContact CD2-CD1 4.44Å; L94-L99 HydrophobicContact CD2-CD2 3.99Å; L94-L99 HydrophobicContact CD2-CG 3.94Å; L99-W103 HydrophobicContact CB-CB 4.3Å; L99-E105 HydrophobicContact CD1-CB 4.38Å; L99-Y116 HydrophobicContact CD1-CD1 3.77Å; L99-Y116 HydrophobicContact CD1-CE1 4.02Å; L99-Y116 HydrophobicContact CD2-CD1 3.41Å; L99-Y116 VanDerWaalsContact CD2-CD1 3.41Å; L99-Y116 HydrophobicContact CD2-CE1 3.86Å; L99-Y116 HydrophobicContact CD2-CG 3.89Å; L99-Y116 HydrophobicContact CG-CD1 4.21Å; L99-Y116 HydrophobicContact CG-CE1 4.42Å
100	P	95.2	Very high	96.1	Very high	35 Å²	35	69.3 Å²	69.3	23%	0.227	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-60.9	161.2	170.9	-14.5	25.4	0	0	0	111.4	G102 W103 P130 K131	P100-G102 PolarHBondContact O-N 3.39Å; P100-W103 HydrophobicContact CG-CG 4.42Å; P100-W103 PolarHBondContact O-N 3.28Å; P100-W103 VanDerWaalsContact O-N 3.1Å; P100-P130 HydrophobicContact CG-CB 3.97Å; P100-P130 HydrophobicContact CG-CG 4.07Å; P100-K131 HydrophobicContact CG-CG 3.92Å
101	D	95.2	Very high	95.8	Very high	122 Å²	122	70.9 Å²	70.9	65%	0.652	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	140.3	170.4	-179.5	37.5	0	0	0	111.2	W103 R120	D101-W103 VanDerWaalsContact C-N 3.29Å; D101-W103 PolarHBondContact O-N 2.61Å; D101-R120 IonicContact OD2-CZ 3.48Å; D101-R120 IonicContact OD2-NH1 2.64Å; D101-R120 PolarHBondContact OD2-NH1 3.01Å; D101-R120 IonicContact OD2-NH2 3.32Å; D101-R120 PolarHBondContact OD2-NH2 2.92Å
102	G	95.2	Very high	95.6	Very high	10 Å²	10	64.1 Å²	64.1	10%	0.103	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-14.5	-173.6	0	0	0	0	0	115.8	P100 S119	P100-G102 PolarHBondContact O-N 3.39Å; G102-S119 VanDerWaalsContact O-CB 3.25Å; G102-S119 WeakPolarHBondContact O-CB 3.47Å; G102-S119 PolarHBondContact O-N 3.32Å; G102-S119 PolarHBondContact O-OG 2.75Å
103	W	97.3	Very high	95.4	Very high	30 Å²	30	62 Å²	62	11%	0.114	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.9	179.3	-74.1	77.8	0	0	0	112.7	L99 P100 D101 W117 N118 E124 C126 P130 I137	L99-W103 HydrophobicContact CB-CB 4.3Å; P100-W103 HydrophobicContact CG-CG 4.42Å; P100-W103 PolarHBondContact O-N 3.28Å; P100-W103 VanDerWaalsContact O-N 3.1Å; D101-W103 VanDerWaalsContact C-N 3.29Å; D101-W103 PolarHBondContact O-N 2.61Å; W103-W117 WeakPolarHBondContact CA-O 3.42Å; W103-N118 HydrophobicContact CD2-CB 4Å; W103-N118 HydrophobicContact CE3-CB 4.28Å; W103-N118 HydrophobicContact CH2-CB 4.13Å; W103-N118 HydrophobicContact CZ2-CB 3.83Å; W103-N118 HydrophobicContact CZ3-CB 4.34Å; W103-E124 HydrophobicContact CH2-CB 4.17Å; W103-C126 WeakPolarHBondContact CZ3-SG 3.17Å; W103-P130 HydrophobicContact CB-CG 4.41Å; W103-P130 HydrophobicContact CD2-CB 4.31Å; W103-P130 HydrophobicContact CD2-CG 3.16Å; W103-P130 HydrophobicContact CE3-CG 3.37Å; W103-P130 HydrophobicContact CG-CG 3.65Å; W103-P130 HydrophobicContact CH2-CG 3.87Å; W103-P130 HydrophobicContact CZ2-CB 4.13Å; W103-P130 HydrophobicContact CZ2-CG 3.69Å; W103-P130 HydrophobicContact CZ3-CG 3.73Å; W103-I137 HydrophobicContact CH2-CD1 4.16Å; W103-I137 HydrophobicContact CH2-CG1 4.07Å; W103-I137 HydrophobicContact CH2-CG2 4.05Å; W103-I137 HydrophobicContact CZ2-CD1 4.01Å; W103-I137 HydrophobicContact CZ2-CG1 4.43Å
104	R	96.8	Very high	95.3	Very high	136 Å²	136	61.7 Å²	61.7	51%	0.513	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.7	179.6	-56.6	-168.1	-145.9	-81.3	-0.1	111.5	Y116 W117 S119	R104-Y116 VanDerWaalsContact O-CA 3.27Å; R104-Y116 WeakPolarHBondContact O-CA 3.27Å; R104-W117 HydrophobicContact CB-CZ2 4.15Å; R104-W117 HydrophobicContact CG-CZ2 4.36Å; R104-W117 PolarHBondContact N-O 3.22Å; R104-W117 PolarHBondContact O-N 3.37Å; R104-S119 VanDerWaalsContact NH2-CB 3.31Å; R104-S119 PolarHBondContact NH2-OG 3.15Å
105	E	96.5	Very high	95.2	Very high	68 Å²	68	63.2 Å²	63.2	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.7	171	179.3	165.3	98.9	0	0	109.4	R90 L94 L99 F114 Y116	R90-E105 VanDerWaalsContact CD-OE2 3.28Å; R90-E105 WeakPolarHBondContact CD-OE2 3.48Å; R90-E105 IonicContact CZ-OE1 3.94Å; R90-E105 IonicContact NE-OE1 3.19Å; R90-E105 PolarHBondContact NE-OE1 3.01Å; R90-E105 IonicContact NE-OE2 2.66Å; R90-E105 PolarHBondContact NE-OE2 3.02Å; R90-E105 IonicContact NH2-OE1 2.95Å; R90-E105 PolarHBondContact NH2-OE1 3.06Å; L94-E105 WeakPolarHBondContact CD1-OE2 3.43Å; L99-E105 HydrophobicContact CD1-CB 4.38Å; E105-F114 VanDerWaalsContact CD-CD1 3.46Å; E105-F114 HydrophobicContact CG-CB 4.17Å; E105-F114 HydrophobicContact CG-CD1 3.46Å; E105-F114 VanDerWaalsContact CG-CD1 3.46Å; E105-F114 HydrophobicContact CG-CE1 4.25Å; E105-F114 HydrophobicContact CG-CG 4.18Å; E105-F114 WeakPolarHBondContact OE1-CD1 3.45Å; E105-Y116 HydrophobicContact CB-CD1 3.94Å; E105-Y116 HydrophobicContact CB-CE1 3.73Å; E105-Y116 HydrophobicContact CG-CD1 4.32Å; E105-Y116 HydrophobicContact CG-CE1 3.77Å; E105-Y116 VanDerWaalsContact OE2-CE1 3.24Å; E105-Y116 WeakPolarHBondContact OE2-CE1 3.48Å; E105-Y116 PolarHBondContact OE2-OH 3.01Å
106	A	94.3	Very high	95.2	Very high	20 Å²	20	53.9 Å²	53.9	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.7	172.9	0	0	0	0	0	109.9	F114 Y115	A106-F114 CarbonylContact O-C 3.24Å; A106-F114 VanDerWaalsContact O-CA 3.27Å; A106-F114 WeakPolarHBondContact O-CA 3.46Å; A106-Y115 HydrophobicContact CB-CD1 4.23Å; A106-Y115 HydrophobicContact CB-CD2 4.39Å; A106-Y115 HydrophobicContact CB-CE1 3.64Å; A106-Y115 HydrophobicContact CB-CE2 3.83Å; A106-Y115 VanDerWaalsContact CB-CZ 3.42Å; A106-Y115 PolarHBondContact N-O 3.32Å; A106-Y115 WeakPolarHBondContact O-CD1 3.03Å; A106-Y115 PolarHBondContact O-N 2.73Å; A106-Y115 VanDerWaalsContact O-O 3.11Å
107	Y	94.9	Very high	95.1	Very high	46 Å²	46	50 Å²	50	18%	0.18	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.6	178.3	-179.6	-116.4	0	0	0	110.2	L77 V79 I82 P109 G112 F114	L77-Y107 WeakPolarHBondContact O-CE1 3.47Å; L77-Y107 VanDerWaalsContact O-CZ 3.28Å; L77-Y107 PolarHBondContact O-OH 2.87Å; V79-Y107 HydrophobicContact CG2-CD1 3.47Å; V79-Y107 VanDerWaalsContact CG2-CD1 3.47Å; V79-Y107 HydrophobicContact CG2-CD2 4.22Å; V79-Y107 HydrophobicContact CG2-CE1 3.59Å; V79-Y107 HydrophobicContact CG2-CE2 4.35Å; V79-Y107 HydrophobicContact CG2-CG 3.79Å; I82-Y107 HydrophobicContact CD1-CD2 4.06Å; I82-Y107 HydrophobicContact CD1-CE2 3.27Å; I82-Y107 HydrophobicContact CG1-CE2 4.19Å; Y107-P109 HydrophobicContact CD1-CG 3.98Å; Y107-P109 HydrophobicContact CE1-CB 4Å; Y107-P109 HydrophobicContact CE1-CG 3.96Å; Y107-P109 WeakPolarHBondContact O-CD 3.28Å; Y107-G112 WeakPolarHBondContact OH-CA 3.09Å; Y107-F114 HydrophobicContact CD2-CD1 4.3Å; Y107-F114 HydrophobicContact CD2-CD2 4Å; Y107-F114 HydrophobicContact CD2-CE1 4.15Å; Y107-F114 AromaticContact CD2-CE2 3.78Å; Y107-F114 HydrophobicContact CD2-CE2 3.78Å; Y107-F114 HydrophobicContact CD2-CG 4.27Å; Y107-F114 AromaticContact CD2-CZ 3.88Å; Y107-F114 HydrophobicContact CD2-CZ 3.88Å; Y107-F114 HydrophobicContact CE2-CE2 4.3Å; Y107-F114 HydrophobicContact CG-CE1 4.37Å; Y107-F114 HydrophobicContact CG-CZ 4.35Å
108	D	92.4	Very high	95	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	107.4	170.5	172.7	27.9	0	0	0	109.7	G110 S111 G112 R113 Y115 W127	D108-G110 VanDerWaalsContact C-N 3.27Å; D108-G110 PolarHBondContact O-N 3.03Å; D108-G110 PolarHBondContact OD1-N 2.87Å; D108-S111 WeakPolarHBondContact CB-OG 3.4Å; D108-S111 VanDerWaalsContact CG-OG 3.31Å; D108-S111 PolarHBondContact O-N 2.9Å; D108-S111 WeakPolarHBondContact OD2-CB 3.46Å; D108-S111 PolarHBondContact OD2-N 3.45Å; D108-S111 PolarHBondContact OD2-OG 2.73Å; D108-G112 PolarHBondContact O-N 3.28Å; D108-R113 PolarHBondContact N-O 3.09Å; D108-R113 PolarHBondContact O-N 3.5Å; D108-Y115 HydrophobicContact CB-CD1 3.84Å; D108-Y115 HydrophobicContact CB-CE1 3.91Å; D108-W127 HydrophobicContact CB-CH2 4.34Å; D108-W127 HydrophobicContact CB-CZ3 4.48Å
109	P	92.6	Very high	94.7	Very high	30 Å²	30	46.6 Å²	46.6	20%	0.195	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.8	-178.8	-19.9	32.1	0	0	0	114.4	E75 L77 Y107	E75-P109 WeakPolarHBondContact O-CB 3.09Å; L77-P109 PolarHBondContact N-O 3.05Å; Y107-P109 HydrophobicContact CD1-CG 3.98Å; Y107-P109 HydrophobicContact CE1-CB 4Å; Y107-P109 HydrophobicContact CE1-CG 3.96Å; Y107-P109 WeakPolarHBondContact O-CD 3.28Å
110	G	91.1	Very high	94.6	Very high	20 Å²	20	52.8 Å²	52.8	21%	0.206	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-34.8	179.3	0	0	0	0	0	113.1	P53 G54 D108	P53-G110 PolarHBondContact O-N 3.12Å; G54-G110 WeakPolarHBondContact O-CA 3.49Å; D108-G110 VanDerWaalsContact C-N 3.27Å; D108-G110 PolarHBondContact O-N 3.03Å; D108-G110 PolarHBondContact OD1-N 2.87Å
111	S	90.9	Very high	94.3	Very high	60 Å²	60	54 Å²	54	42%	0.42	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.8	174.8	65.5	0	0	0	0	114.1	D108 R113 W127	D108-S111 WeakPolarHBondContact CB-OG 3.4Å; D108-S111 VanDerWaalsContact CG-OG 3.31Å; D108-S111 PolarHBondContact O-N 2.9Å; D108-S111 WeakPolarHBondContact OD2-CB 3.46Å; D108-S111 PolarHBondContact OD2-N 3.45Å; D108-S111 PolarHBondContact OD2-OG 2.73Å; S111-R113 PolarHBondContact O-N 2.86Å; S111-R113 PolarHBondContact OG-N 3.01Å; S111-W127 WeakPolarHBondContact OG-CH2 3.45Å
112	G	92.5	Very high	93.8	Very high	13 Å²	13	53.6 Å²	53.6	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	24.1	-174.4	0	0	0	0	0	113	Y107 D108	Y107-G112 WeakPolarHBondContact OH-CA 3.09Å; D108-G112 PolarHBondContact O-N 3.28Å
113	R	94.3	Very high	93.3	Very high	98 Å²	98	59.1 Å²	59.1	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.4	-167.5	-159.4	178.3	178.5	-170.1	-2.4	111.4	Y86 D108 S111 W127	Y86-R113 HydrophobicContact CE2-CG 3.79Å; Y86-R113 WeakPolarHBondContact OH-CG 3.22Å; D108-R113 PolarHBondContact N-O 3.09Å; D108-R113 PolarHBondContact O-N 3.5Å; S111-R113 PolarHBondContact O-N 2.86Å; S111-R113 PolarHBondContact OG-N 3.01Å; R113-W127 HydrophobicContact CB-CE3 4.38Å; R113-W127 HydrophobicContact CB-CZ3 3.99Å; R113-W127 HydrophobicContact CG-CE3 4.26Å; R113-W127 HydrophobicContact CG-CZ3 4.37Å
114	F	96.9	Very high	93.1	Very high	18 Å²	18	60.5 Å²	60.5	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.5	170.3	-68.3	-94.7	0	0	0	111	V79 I82 Y86 M87 R90 E105 A106 Y107	V79-F114 HydrophobicContact CG1-CZ 4.15Å; I82-F114 HydrophobicContact CD1-CE2 3.8Å; Y86-F114 AromaticContact CE1-CD2 3.96Å; Y86-F114 HydrophobicContact CE1-CD2 3.96Å; Y86-F114 PolarHBondContact OH-N 3.39Å; M87-F114 HydrophobicContact CE-CE2 4.25Å; M87-F114 HydrophobicContact SD-CE2 3.97Å; R90-F114 VanDerWaalsContact CZ-CD2 3.44Å; R90-F114 VanDerWaalsContact CZ-CE2 3.41Å; E105-F114 VanDerWaalsContact CD-CD1 3.46Å; E105-F114 HydrophobicContact CG-CB 4.17Å; E105-F114 HydrophobicContact CG-CD1 3.46Å; E105-F114 VanDerWaalsContact CG-CD1 3.46Å; E105-F114 HydrophobicContact CG-CE1 4.25Å; E105-F114 HydrophobicContact CG-CG 4.18Å; E105-F114 WeakPolarHBondContact OE1-CD1 3.45Å; A106-F114 CarbonylContact O-C 3.24Å; A106-F114 VanDerWaalsContact O-CA 3.27Å; A106-F114 WeakPolarHBondContact O-CA 3.46Å; Y107-F114 HydrophobicContact CD2-CD1 4.3Å; Y107-F114 HydrophobicContact CD2-CD2 4Å; Y107-F114 HydrophobicContact CD2-CE1 4.15Å; Y107-F114 AromaticContact CD2-CE2 3.78Å; Y107-F114 HydrophobicContact CD2-CE2 3.78Å; Y107-F114 HydrophobicContact CD2-CG 4.27Å; Y107-F114 AromaticContact CD2-CZ 3.88Å; Y107-F114 HydrophobicContact CD2-CZ 3.88Å; Y107-F114 HydrophobicContact CE2-CE2 4.3Å; Y107-F114 HydrophobicContact CG-CE1 4.37Å; Y107-F114 HydrophobicContact CG-CZ 4.35Å
115	Y	95.5	Very high	93	Very high	71 Å²	71	55.3 Å²	55.3	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	169	169.5	69.4	-82.5	0	0	0	109.6	A106 D108 W117	A106-Y115 HydrophobicContact CB-CD1 4.23Å; A106-Y115 HydrophobicContact CB-CD2 4.39Å; A106-Y115 HydrophobicContact CB-CE1 3.64Å; A106-Y115 HydrophobicContact CB-CE2 3.83Å; A106-Y115 VanDerWaalsContact CB-CZ 3.42Å; A106-Y115 PolarHBondContact N-O 3.32Å; A106-Y115 WeakPolarHBondContact O-CD1 3.03Å; A106-Y115 PolarHBondContact O-N 2.73Å; A106-Y115 VanDerWaalsContact O-O 3.11Å; D108-Y115 HydrophobicContact CB-CD1 3.84Å; D108-Y115 HydrophobicContact CB-CE1 3.91Å; Y115-W117 HydrophobicContact CE2-CB 4.34Å
116	Y	97.8	Very high	93	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140	-177.7	-53.4	-77.7	0	0	0	108.6	R90 M93 L94 L99 R104 E105 V125 C126 L128	R90-Y116 WeakPolarHBondContact CG-OH 3.43Å; M93-Y116 HydrophobicContact CE-CE2 3.75Å; M93-Y116 VanDerWaalsContact CE-OH 3.31Å; M93-Y116 WeakPolarHBondContact CE-OH 3.4Å; L94-Y116 HydrophobicContact CD2-CE1 3.82Å; L99-Y116 HydrophobicContact CD1-CD1 3.77Å; L99-Y116 HydrophobicContact CD1-CE1 4.02Å; L99-Y116 HydrophobicContact CD2-CD1 3.41Å; L99-Y116 VanDerWaalsContact CD2-CD1 3.41Å; L99-Y116 HydrophobicContact CD2-CE1 3.86Å; L99-Y116 HydrophobicContact CD2-CG 3.89Å; L99-Y116 HydrophobicContact CG-CD1 4.21Å; L99-Y116 HydrophobicContact CG-CE1 4.42Å; R104-Y116 VanDerWaalsContact O-CA 3.27Å; R104-Y116 WeakPolarHBondContact O-CA 3.27Å; E105-Y116 HydrophobicContact CB-CD1 3.94Å; E105-Y116 HydrophobicContact CB-CE1 3.73Å; E105-Y116 HydrophobicContact CG-CD1 4.32Å; E105-Y116 HydrophobicContact CG-CE1 3.77Å; E105-Y116 VanDerWaalsContact OE2-CE1 3.24Å; E105-Y116 WeakPolarHBondContact OE2-CE1 3.48Å; E105-Y116 PolarHBondContact OE2-OH 3.01Å; Y116-V125 CarbonylContact O-C 3.06Å; Y116-V125 VanDerWaalsContact O-CA 3.32Å; Y116-V125 WeakPolarHBondContact O-CA 2.89Å; Y116-C126 PolarHBondContact N-O 3.41Å; Y116-C126 PolarHBondContact O-N 3.01Å; Y116-L128 WeakPolarHBondContact CD2-O 3.34Å
117	W	95.9	Very high	93	Very high	67 Å²	67	56.8 Å²	56.8	25%	0.254	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151	-179.4	65	-78.9	0	0	0	110.3	W103 R104 Y115 I122 E124 V125	W103-W117 WeakPolarHBondContact CA-O 3.42Å; R104-W117 HydrophobicContact CB-CZ2 4.15Å; R104-W117 HydrophobicContact CG-CZ2 4.36Å; R104-W117 PolarHBondContact N-O 3.22Å; R104-W117 PolarHBondContact O-N 3.37Å; Y115-W117 HydrophobicContact CE2-CB 4.34Å; W117-I122 HydrophobicContact CZ3-CG1 4.35Å; W117-E124 WeakPolarHBondContact CA-O 3.28Å; W117-V125 HydrophobicContact CB-CG1 4Å
118	N	95.6	Very high	93.2	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.102	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.7	179.8	-171.8	-14.1	0	0	0	109.6	W103 R120 N121 I122 E124	W103-N118 HydrophobicContact CD2-CB 4Å; W103-N118 HydrophobicContact CE3-CB 4.28Å; W103-N118 HydrophobicContact CH2-CB 4.13Å; W103-N118 HydrophobicContact CZ2-CB 3.83Å; W103-N118 HydrophobicContact CZ3-CB 4.34Å; N118-R120 VanDerWaalsContact C-N 3.27Å; N118-R120 PolarHBondContact O-N 3.4Å; N118-R120 WeakPolarHBondContact OD1-CB 3.29Å; N118-R120 PolarHBondContact OD1-N 3.43Å; N118-N121 WeakPolarHBondContact CB-O 3.41Å; N118-N121 CarbonylContact O-C 3.53Å; N118-N121 PolarHBondContact O-N 2.95Å; N118-N121 PolarHBondContact OD1-N 3.37Å; N118-I122 WeakPolarHBondContact O-CA 2.87Å; N118-I122 PolarHBondContact O-N 3.41Å; N118-E124 HydrophobicContact CB-CB 3.94Å; N118-E124 PolarHBondContact N-O 3.43Å; N118-E124 PolarHBondContact ND2-OE2 3.34Å
119	S	92.7	Very high	93.4	Very high	31 Å²	31	54.8 Å²	54.8	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-74	-17.6	178.8	69.5	0	0	0	0	114.2	G102 R104	G102-S119 VanDerWaalsContact O-CB 3.25Å; G102-S119 WeakPolarHBondContact O-CB 3.47Å; G102-S119 PolarHBondContact O-N 3.32Å; G102-S119 PolarHBondContact O-OG 2.75Å; R104-S119 VanDerWaalsContact NH2-CB 3.31Å; R104-S119 PolarHBondContact NH2-OG 3.15Å
120	R	92.8	Very high	93.6	Very high	183 Å²	183	54.6 Å²	54.6	69%	0.691	26%	0.26	S	S	*	.	S	Bend	trans	-82.7	-37.5	172	-65.3	-176.6	172.5	144.9	4.1	111.6	D101 N118	D101-R120 IonicContact OD2-CZ 3.48Å; D101-R120 IonicContact OD2-NH1 2.64Å; D101-R120 PolarHBondContact OD2-NH1 3.01Å; D101-R120 IonicContact OD2-NH2 3.32Å; D101-R120 PolarHBondContact OD2-NH2 2.92Å; N118-R120 VanDerWaalsContact C-N 3.27Å; N118-R120 PolarHBondContact O-N 3.4Å; N118-R120 WeakPolarHBondContact OD1-CB 3.29Å; N118-R120 PolarHBondContact OD1-N 3.43Å
121	N	89.7	Confident	93.8	Very high	60 Å²	60	59.3 Å²	59.3	32%	0.321	28%	0.275	S	S	.	.	S	Bend	trans	-123.4	88.7	175.9	-170.4	-7.9	0	0	0	109.7	N118 F123 E124	N118-N121 WeakPolarHBondContact CB-O 3.41Å; N118-N121 CarbonylContact O-C 3.53Å; N118-N121 PolarHBondContact O-N 2.95Å; N118-N121 PolarHBondContact OD1-N 3.37Å; N121-F123 PolarHBondContact O-N 3.22Å; N121-F123 PolarHBondContact OD1-N 3.3Å; N121-E124 HydrophobicContact CB-CG 4.24Å; N121-E124 PolarHBondContact ND2-OE1 2.9Å; N121-E124 PolarHBondContact O-N 3.42Å
122	I	85	Confident	94.2	Very high	114 Å²	114	58.1 Å²	58.1	59%	0.585	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.1	-171.1	-58.2	168.4	0	0	0	112.3	W117 N118	W117-I122 HydrophobicContact CZ3-CG1 4.35Å; N118-I122 WeakPolarHBondContact O-CA 2.87Å; N118-I122 PolarHBondContact O-N 3.41Å
123	F	83.5	Confident	94.4	Very high	125 Å²	125	62.5 Å²	62.5	55%	0.548	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.7	177.4	-55.1	-65.4	0	0	0	113.4	N121 V139 S140 A143	N121-F123 PolarHBondContact O-N 3.22Å; N121-F123 PolarHBondContact OD1-N 3.3Å; F123-V139 CarbonylContact O-C 3.58Å; F123-V139 VanDerWaalsContact O-C 3.3Å; F123-V139 WeakPolarHBondContact O-CA 3.34Å; F123-S140 PolarHBondContact O-N 3.45Å; F123-A143 HydrophobicContact CD1-CB 3.82Å; F123-A143 HydrophobicContact CE1-CB 4.34Å
124	E	93.6	Very high	94.6	Very high	60 Å²	60	67.4 Å²	67.4	28%	0.28	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.7	-178.5	-70.3	171.4	-168.6	0	0	112.1	W103 W117 N118 N121 I137	W103-E124 HydrophobicContact CH2-CB 4.17Å; W117-E124 WeakPolarHBondContact CA-O 3.28Å; N118-E124 HydrophobicContact CB-CB 3.94Å; N118-E124 PolarHBondContact N-O 3.43Å; N118-E124 PolarHBondContact ND2-OE2 3.34Å; N121-E124 HydrophobicContact CB-CG 4.24Å; N121-E124 PolarHBondContact ND2-OE1 2.9Å; N121-E124 PolarHBondContact O-N 3.42Å; E124-I137 HydrophobicContact CB-CG2 3.92Å; E124-I137 HydrophobicContact CG-CG2 4.03Å
125	V	94.7	Very high	94.6	Very high	26 Å²	26	67.7 Å²	67.7	16%	0.158	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.8	178.5	-56.9	0	0	0	0	111.9	Y116 W117 T138	Y116-V125 CarbonylContact O-C 3.06Å; Y116-V125 VanDerWaalsContact O-CA 3.32Å; Y116-V125 WeakPolarHBondContact O-CA 2.89Å; W117-V125 HydrophobicContact CB-CG1 4Å; V125-T138 PolarHBondContact N-O 2.84Å; V125-T138 PolarHBondContact O-N 3.16Å
126	C	96.2	Very high	94.6	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	156.1	172.2	56.4	0	0	0	0	112.6	W103 Y116 L128 K136 I137	W103-C126 WeakPolarHBondContact CZ3-SG 3.17Å; Y116-C126 PolarHBondContact N-O 3.41Å; Y116-C126 PolarHBondContact O-N 3.01Å; C126-L128 PolarHBondContact SG-O 3.03Å; C126-K136 WeakPolarHBondContact CB-O 3.24Å; C126-I137 HydrophobicContact CB-CG1 4.37Å
127	W	95.6	Very high	94.5	Very high	116 Å²	116	76.6 Å²	76.6	44%	0.439	36%	0.356	S	S	.	.	S	Bend	trans	-86.8	-5.8	-177.6	-68.1	104.1	0	0	0	115.2	D108 S111 R113	D108-W127 HydrophobicContact CB-CH2 4.34Å; D108-W127 HydrophobicContact CB-CZ3 4.48Å; S111-W127 WeakPolarHBondContact OG-CH2 3.45Å; R113-W127 HydrophobicContact CB-CE3 4.38Å; R113-W127 HydrophobicContact CB-CZ3 3.99Å; R113-W127 HydrophobicContact CG-CE3 4.26Å; R113-W127 HydrophobicContact CG-CZ3 4.37Å
128	L	97.3	Very high	94.4	Very high	35 Å²	35	77.1 Å²	77.1	18%	0.183	37%	0.367	C	S	.	.	S	Bend	trans	-133.1	159.4	178.7	-62.7	175.9	0	0	0	108.2	M93 Y116 C126 H132 R134 A135	M93-L128 HydrophobicContact CE-CD2 4.45Å; Y116-L128 WeakPolarHBondContact CD2-O 3.34Å; C126-L128 PolarHBondContact SG-O 3.03Å; L128-H132 HydrophobicContact CB-CB 4.13Å; L128-R134 HydrophobicContact CD1-CB 4.03Å; L128-A135 HydrophobicContact CB-CB 4.16Å
129	S	97.4	Very high	94.2	Very high	0 Å²	0	80.5 Å²	80.5	0%	0	39%	0.388	C	S	.	.			trans	-50.9	136.7	174.1	172.3	0	0	0	0	110.6	M93 Y97 K131 H132 A135	M93-S129 VanDerWaalsContact SD-CB 3.58Å; Y97-S129 WeakPolarHBondContact O-CB 3.41Å; Y97-S129 PolarHBondContact O-OG 3.39Å; S129-K131 PolarHBondContact O-N 2.9Å; S129-H132 WeakPolarHBondContact O-CA 3.4Å; S129-H132 WeakPolarHBondContact O-CB 3.32Å; S129-H132 PolarHBondContact O-N 3.08Å; S129-A135 VanDerWaalsContact O-CB 3.24Å; S129-A135 WeakPolarHBondContact O-CB 3.34Å
130	P	96.5	Very high	93.9	Very high	27 Å²	27	80 Å²	80	18%	0.175	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.5	-179.2	-23.5	29.3	0	0	0	114.3	P100 W103 H132 I137	P100-P130 HydrophobicContact CG-CB 3.97Å; P100-P130 HydrophobicContact CG-CG 4.07Å; W103-P130 HydrophobicContact CB-CG 4.41Å; W103-P130 HydrophobicContact CD2-CB 4.31Å; W103-P130 HydrophobicContact CD2-CG 3.16Å; W103-P130 HydrophobicContact CE3-CG 3.37Å; W103-P130 HydrophobicContact CG-CG 3.65Å; W103-P130 HydrophobicContact CH2-CG 3.87Å; W103-P130 HydrophobicContact CZ2-CB 4.13Å; W103-P130 HydrophobicContact CZ2-CG 3.69Å; W103-P130 HydrophobicContact CZ3-CG 3.73Å; P130-H132 PolarHBondContact O-N 2.95Å; P130-I137 HydrophobicContact CB-CD1 4.31Å
131	K	96.4	Very high	93.3	Very high	118 Å²	118	73.4 Å²	73.4	51%	0.513	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.8	175.1	-62.3	-169.8	-177.7	172.6	0	113.4	Y97 P98 P100 S129	Y97-K131 HydrophobicContact CD1-CB 4.39Å; Y97-K131 WeakPolarHBondContact CD1-O 3.28Å; P98-K131 WeakPolarHBondContact O-CD 3.04Å; P100-K131 HydrophobicContact CG-CG 3.92Å; S129-K131 PolarHBondContact O-N 2.9Å
132	H	98	Very high	92.7	Very high	36 Å²	36	73.6 Å²	73.6	17%	0.167	38%	0.375	C	S	.	.	S	Bend	trans	-74	132.9	-179.3	-171.8	-77.3	0	0	0	109.8	Y97 L128 S129 P130 R134 A135	Y97-H132 HydrophobicContact CD2-CB 4.23Å; Y97-H132 AromaticContact CD2-CD2 3.4Å; Y97-H132 WeakPolarHBondContact CD2-CD2 3.07Å; Y97-H132 AromaticContact CE2-CD2 3.34Å; Y97-H132 WeakPolarHBondContact CE2-CD2 3.34Å; Y97-H132 AromaticContact CE2-NE2 3.89Å; Y97-H132 HydrophobicContact CG-CB 4.24Å; L128-H132 HydrophobicContact CB-CB 4.13Å; S129-H132 WeakPolarHBondContact O-CA 3.4Å; S129-H132 WeakPolarHBondContact O-CB 3.32Å; S129-H132 PolarHBondContact O-N 3.08Å; P130-H132 PolarHBondContact O-N 2.95Å; H132-R134 PolarHBondContact ND1-N 3.5Å; H132-R134 PolarHBondContact O-N 3.36Å; H132-A135 HydrophobicContact CB-CB 4.26Å; H132-A135 VanDerWaalsContact O-CB 3.24Å; H132-A135 WeakPolarHBondContact O-CB 3.49Å; H132-A135 PolarHBondContact O-N 3.1Å
133	P	97.2	Very high	92.5	Very high	104 Å²	104	69.5 Å²	69.5	68%	0.675	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.8	-174.2	24.3	-35.7	0	0	0	114.2
134	R	97.5	Very high	92.4	Very high	201 Å²	201	69.4 Å²	69.4	76%	0.758	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	4.1	175.8	-57.6	174.8	58.7	154.6	0	114.1	L128 H132 K136	L128-R134 HydrophobicContact CD1-CB 4.03Å; H132-R134 PolarHBondContact ND1-N 3.5Å; H132-R134 PolarHBondContact O-N 3.36Å; R134-K136 PolarHBondContact O-N 2.97Å
135	A	96.8	Very high	91.7	Very high	24 Å²	24	67.6 Å²	67.6	20%	0.198	35%	0.349	C	S	.	.			trans	-68.8	131.1	176.6	0	0	0	0	0	109.6	L128 S129 H132	L128-A135 HydrophobicContact CB-CB 4.16Å; S129-A135 VanDerWaalsContact O-CB 3.24Å; S129-A135 WeakPolarHBondContact O-CB 3.34Å; H132-A135 HydrophobicContact CB-CB 4.26Å; H132-A135 VanDerWaalsContact O-CB 3.24Å; H132-A135 WeakPolarHBondContact O-CB 3.49Å; H132-A135 PolarHBondContact O-N 3.1Å
136	K	96	Very high	90.9	Very high	170 Å²	170	71.3 Å²	71.3	74%	0.739	36%	0.363	S	S	*	.			trans	-113.2	108.8	172.4	-66.4	-174.8	178.8	-174.2	0	106.9	C126 R134	C126-K136 WeakPolarHBondContact CB-O 3.24Å; R134-K136 PolarHBondContact O-N 2.97Å
137	I	95.7	Very high	90.3	Very high	90 Å²	90	73.8 Å²	73.8	46%	0.462	38%	0.384	S	S	.	.			trans	-81	121.5	175.2	-58.3	170.9	0	0	0	106.9	W103 E124 C126 P130	W103-I137 HydrophobicContact CH2-CD1 4.16Å; W103-I137 HydrophobicContact CH2-CG1 4.07Å; W103-I137 HydrophobicContact CH2-CG2 4.05Å; W103-I137 HydrophobicContact CZ2-CD1 4.01Å; W103-I137 HydrophobicContact CZ2-CG1 4.43Å; E124-I137 HydrophobicContact CB-CG2 3.92Å; E124-I137 HydrophobicContact CG-CG2 4.03Å; C126-I137 HydrophobicContact CB-CG1 4.37Å; P130-I137 HydrophobicContact CB-CD1 4.31Å
138	T	94.3	Very high	89.7	Confident	77 Å²	77	70.7 Å²	70.7	47%	0.472	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	166	-179.8	59.2	0	0	0	0	109.8	V125	V125-T138 PolarHBondContact N-O 2.84Å; V125-T138 PolarHBondContact O-N 3.16Å
139	V	91.5	Very high	88.9	Confident	90 Å²	90	71.6 Å²	71.6	55%	0.545	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	149.9	166.3	-65.1	0	0	0	0	111	F123 R144	F123-V139 CarbonylContact O-C 3.58Å; F123-V139 VanDerWaalsContact O-C 3.3Å; F123-V139 WeakPolarHBondContact O-CA 3.34Å; V139-R144 HydrophobicContact CG2-CB 4.38Å
140	S	85.7	Confident	88.3	Confident	21 Å²	21	76 Å²	76	15%	0.147	40%	0.396	C	S	.	.			trans	-62.3	144.8	179.1	75.7	0	0	0	0	111	F123 C142 A143 R144	F123-S140 PolarHBondContact O-N 3.45Å; S140-C142 PolarHBondContact O-N 3.29Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 VanDerWaalsContact O-N 3.15Å; S140-A143 VanDerWaalsContact OG-CB 3.27Å; S140-A143 WeakPolarHBondContact OG-CB 3.46Å; S140-A143 PolarHBondContact OG-N 3.05Å; S140-R144 PolarHBondContact O-N 3.12Å
141	A	80.9	Confident	88	Confident	44 Å²	44	77.1 Å²	77.1	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-59	-37.2	180	0	0	0	0	0	111.6	R144 A145	A141-R144 PolarHBondContact O-N 3.22Å; A141-A145 WeakPolarHBondContact O-CB 3.4Å; A141-A145 PolarHBondContact O-N 3.15Å
142	C	75.8	Confident	87.3	Confident	65 Å²	65	75.4 Å²	75.4	44%	0.439	41%	0.405	S	S	.	.	H	α-helix	trans	-63.1	-45.3	175.4	-178.8	0	0	0	0	112.2	S140 R144 A145 K146	S140-C142 PolarHBondContact O-N 3.29Å; C142-R144 VanDerWaalsContact C-N 3.34Å; C142-R144 PolarHBondContact O-N 2.85Å; C142-A145 PolarHBondContact O-N 3.32Å; C142-K146 WeakPolarHBondContact O-CB 3.49Å; C142-K146 PolarHBondContact O-N 3.13Å
143	A	81.7	Confident	86.7	Confident	27 Å²	27	78.1 Å²	78.1	22%	0.223	42%	0.42	C	S	.	.	H	α-helix	trans	-63.7	-40.5	176.7	0	0	0	0	0	111.9	F123 S140 K146 A147	F123-A143 HydrophobicContact CD1-CB 3.82Å; F123-A143 HydrophobicContact CE1-CB 4.34Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 VanDerWaalsContact O-N 3.15Å; S140-A143 VanDerWaalsContact OG-CB 3.27Å; S140-A143 WeakPolarHBondContact OG-CB 3.46Å; S140-A143 PolarHBondContact OG-N 3.05Å; A143-K146 PolarHBondContact O-N 3.1Å; A143-A147 PolarHBondContact O-N 3.12Å
144	R	82.6	Confident	86.4	Confident	123 Å²	123	78.7 Å²	78.7	46%	0.464	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175.9	-171.7	175.9	66.6	-168	2.5	112.3	P59 V139 S140 A141 C142 F148	P59-R144 PolarHBondContact O-NH2 2.91Å; V139-R144 HydrophobicContact CG2-CB 4.38Å; S140-R144 PolarHBondContact O-N 3.12Å; A141-R144 PolarHBondContact O-N 3.22Å; C142-R144 VanDerWaalsContact C-N 3.34Å; C142-R144 PolarHBondContact O-N 2.85Å; R144-F148 VanDerWaalsContact O-CB 3.32Å; R144-F148 WeakPolarHBondContact O-CB 3.1Å; R144-F148 PolarHBondContact O-N 3.42Å; R144-F148 VanDerWaalsContact O-N 3.08Å
145	A	77.4	Confident	86.1	Confident	23 Å²	23	71.8 Å²	71.8	19%	0.19	40%	0.4	C	S	.	.	H	α-helix	trans	-65	-45.4	176.2	0	0	0	0	0	111.1	A141 C142 A147 F148 F149	A141-A145 WeakPolarHBondContact O-CB 3.4Å; A141-A145 PolarHBondContact O-N 3.15Å; C142-A145 PolarHBondContact O-N 3.32Å; A145-A147 PolarHBondContact O-N 3.48Å; A145-F148 WeakPolarHBondContact O-CB 3.5Å; A145-F148 PolarHBondContact O-N 3.04Å; A145-F148 VanDerWaalsContact O-N 3.15Å; A145-F149 HydrophobicContact CB-CE2 4.4Å; A145-F149 WeakPolarHBondContact O-CD2 3.34Å; A145-F149 PolarHBondContact O-N 3.13Å
146	K	78.3	Confident	85.7	Confident	104 Å²	104	75.6 Å²	75.6	45%	0.452	41%	0.414	S	S	.	.	H	α-helix	trans	-56.8	-52.2	177.4	-174.4	177	174.3	176.3	0	111.9	F49 C142 A143 F148 F149 E150	F49-K146 HydrophobicContact CZ-CB 4.18Å; F49-K146 HydrophobicContact CZ-CD 4.18Å; F49-K146 HydrophobicContact CZ-CG 4.16Å; C142-K146 WeakPolarHBondContact O-CB 3.49Å; C142-K146 PolarHBondContact O-N 3.13Å; A143-K146 PolarHBondContact O-N 3.1Å; K146-F148 PolarHBondContact O-N 3.35Å; K146-F149 PolarHBondContact O-N 2.93Å; K146-E150 WeakPolarHBondContact CE-OE1 3.41Å; K146-E150 IonicContact NZ-OE1 2.78Å; K146-E150 WeakPolarHBondContact O-CG 3.46Å; K146-E150 PolarHBondContact O-N 3.2Å
147	A	84.5	Confident	85.5	Confident	55 Å²	55	73.3 Å²	73.3	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-35.2	177.8	0	0	0	0	0	112.4	A143 A145 A151	A143-A147 PolarHBondContact O-N 3.12Å; A145-A147 PolarHBondContact O-N 3.48Å; A147-A151 WeakPolarHBondContact O-CB 2.99Å; A147-A151 PolarHBondContact O-N 3.24Å; A147-A151 VanDerWaalsContact O-N 3.12Å
148	F	83.2	Confident	85.4	Confident	50 Å²	50	73.5 Å²	73.5	22%	0.219	41%	0.407	C	S	.	.	H	α-helix	trans	-66.6	-45.7	175.8	179	-98.7	0	0	0	112.2	P61 Y62 R144 A145 K146 A151 L152	P61-F148 HydrophobicContact CB-CB 4.46Å; P61-F148 HydrophobicContact CB-CD1 4.13Å; P61-F148 HydrophobicContact CB-CG 4.16Å; Y62-F148 AromaticContact CD1-CE1 3.7Å; Y62-F148 HydrophobicContact CD1-CE1 3.7Å; Y62-F148 AromaticContact CD1-CZ 3.57Å; Y62-F148 HydrophobicContact CD1-CZ 3.57Å; Y62-F148 AromaticContact CE1-CE1 3.76Å; Y62-F148 HydrophobicContact CE1-CE1 3.76Å; Y62-F148 AromaticContact CE1-CE2 3.79Å; Y62-F148 HydrophobicContact CE1-CE2 3.79Å; Y62-F148 AromaticContact CE1-CZ 3.11Å; Y62-F148 HydrophobicContact CE1-CZ 3.11Å; Y62-F148 AromaticContact CZ-CZ 3.81Å; R144-F148 VanDerWaalsContact O-CB 3.32Å; R144-F148 WeakPolarHBondContact O-CB 3.1Å; R144-F148 PolarHBondContact O-N 3.42Å; R144-F148 VanDerWaalsContact O-N 3.08Å; A145-F148 WeakPolarHBondContact O-CB 3.5Å; A145-F148 PolarHBondContact O-N 3.04Å; A145-F148 VanDerWaalsContact O-N 3.15Å; K146-F148 PolarHBondContact O-N 3.35Å; F148-A151 PolarHBondContact O-N 3.5Å; F148-L152 HydrophobicContact CD1-CD1 4.13Å; F148-L152 HydrophobicContact CD1-CG 4.48Å; F148-L152 HydrophobicContact CE1-CD1 3.37Å; F148-L152 HydrophobicContact CE1-CG 3.93Å; F148-L152 HydrophobicContact CZ-CD1 3.7Å; F148-L152 HydrophobicContact CZ-CD2 4.04Å; F148-L152 HydrophobicContact CZ-CG 3.9Å; F148-L152 PolarHBondContact O-N 3.1Å; F148-L152 VanDerWaalsContact O-N 3.07Å
149	F	79.9	Confident	85.3	Confident	55 Å²	55	74.7 Å²	74.7	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-67.3	-37.9	177.6	-76.5	-65.7	0	0	0	112.9	P61 L64 A145 K146 A151 L152 N153	P61-F149 WeakPolarHBondContact O-CZ 3.41Å; L64-F149 HydrophobicContact CD1-CE1 4.14Å; L64-F149 HydrophobicContact CD1-CZ 4.28Å; L64-F149 HydrophobicContact CD2-CE1 3.87Å; L64-F149 HydrophobicContact CD2-CE2 3.78Å; L64-F149 HydrophobicContact CD2-CZ 3.27Å; L64-F149 HydrophobicContact CG-CE1 4.11Å; L64-F149 HydrophobicContact CG-CZ 3.74Å; A145-F149 HydrophobicContact CB-CE2 4.4Å; A145-F149 WeakPolarHBondContact O-CD2 3.34Å; A145-F149 PolarHBondContact O-N 3.13Å; K146-F149 PolarHBondContact O-N 2.93Å; F149-A151 VanDerWaalsContact C-N 3.34Å; F149-A151 PolarHBondContact O-N 3.18Å; F149-L152 HydrophobicContact CD1-CD1 4.38Å; F149-L152 PolarHBondContact O-N 3.29Å; F149-N153 PolarHBondContact O-N 3.36Å
150	E	85.5	Confident	85.3	Confident	91 Å²	91	75.7 Å²	75.7	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-46.5	173	-73.8	169.4	174.5	0	0	110.7	K146 L152 N153 E154	K146-E150 WeakPolarHBondContact CE-OE1 3.41Å; K146-E150 IonicContact NZ-OE1 2.78Å; K146-E150 WeakPolarHBondContact O-CG 3.46Å; K146-E150 PolarHBondContact O-N 3.2Å; E150-L152 VanDerWaalsContact C-N 3.31Å; E150-L152 PolarHBondContact O-N 2.98Å; E150-N153 PolarHBondContact O-N 3.27Å; E150-E154 WeakPolarHBondContact O-CG 3.37Å; E150-E154 PolarHBondContact O-N 2.86Å
151	A	88.9	Confident	85.5	Confident	52 Å²	52	80.3 Å²	80.3	43%	0.43	43%	0.429	S	S	.	.	H	α-helix	trans	-62.7	-34.2	176.5	0	0	0	0	0	113.5	A147 F148 F149 A155	A147-A151 WeakPolarHBondContact O-CB 2.99Å; A147-A151 PolarHBondContact O-N 3.24Å; A147-A151 VanDerWaalsContact O-N 3.12Å; F148-A151 PolarHBondContact O-N 3.5Å; F149-A151 VanDerWaalsContact C-N 3.34Å; F149-A151 PolarHBondContact O-N 3.18Å; A151-A155 WeakPolarHBondContact O-CB 3.4Å; A151-A155 PolarHBondContact O-N 3.34Å
152	L	82.4	Confident	86	Confident	82 Å²	82	87 Å²	87	43%	0.429	45%	0.445	S	S	.	.	H	α-helix	trans	-68	-43.8	174.3	-72.7	-175.6	0	0	0	112	F148 F149 E150 A155 Q156	F148-L152 HydrophobicContact CD1-CD1 4.13Å; F148-L152 HydrophobicContact CD1-CG 4.48Å; F148-L152 HydrophobicContact CE1-CD1 3.37Å; F148-L152 HydrophobicContact CE1-CG 3.93Å; F148-L152 HydrophobicContact CZ-CD1 3.7Å; F148-L152 HydrophobicContact CZ-CD2 4.04Å; F148-L152 HydrophobicContact CZ-CG 3.9Å; F148-L152 PolarHBondContact O-N 3.1Å; F148-L152 VanDerWaalsContact O-N 3.07Å; F149-L152 HydrophobicContact CD1-CD1 4.38Å; F149-L152 PolarHBondContact O-N 3.29Å; E150-L152 VanDerWaalsContact C-N 3.31Å; E150-L152 PolarHBondContact O-N 2.98Å; L152-A155 PolarHBondContact O-N 3.07Å; L152-Q156 PolarHBondContact O-N 2.99Å
153	N	84.9	Confident	86.7	Confident	93 Å²	93	89.5 Å²	89.5	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-45.2	177.6	-73	-6.3	0	0	0	110.9	F149 E150 A155 Q156 E157	F149-N153 PolarHBondContact O-N 3.36Å; E150-N153 PolarHBondContact O-N 3.27Å; N153-A155 VanDerWaalsContact C-N 3.29Å; N153-A155 PolarHBondContact O-N 3.08Å; N153-Q156 PolarHBondContact O-N 3.02Å; N153-Q156 VanDerWaalsContact O-N 3.14Å; N153-E157 WeakPolarHBondContact O-CG 3.43Å; N153-E157 PolarHBondContact O-N 2.91Å
154	E	91.2	Very high	87	Confident	115 Å²	115	89.4 Å²	89.4	54%	0.537	45%	0.45	S	S	.	.	H	α-helix	trans	-58.5	-41.1	174.4	-73.1	176.1	-167.7	0	0	111.8	E150 N158	E150-E154 WeakPolarHBondContact O-CG 3.37Å; E150-E154 PolarHBondContact O-N 2.86Å; E154-N158 VanDerWaalsContact O-CB 3.3Å; E154-N158 WeakPolarHBondContact O-CB 3.42Å; E154-N158 VanDerWaalsContact O-CG 3.24Å; E154-N158 PolarHBondContact O-N 2.98Å; E154-N158 PolarHBondContact O-ND2 3.14Å
155	A	90.6	Very high	87.2	Confident	56 Å²	56	92.5 Å²	92.5	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-64.6	-40.9	176.5	0	0	0	0	0	112	A151 L152 N153 E159	A151-A155 WeakPolarHBondContact O-CB 3.4Å; A151-A155 PolarHBondContact O-N 3.34Å; L152-A155 PolarHBondContact O-N 3.07Å; N153-A155 VanDerWaalsContact C-N 3.29Å; N153-A155 PolarHBondContact O-N 3.08Å; A155-E159 PolarHBondContact O-N 3.37Å
156	Q	89.3	Confident	87.4	Confident	105 Å²	105	100.2 Å²	100.2	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-65.9	-47.8	176.9	-174.8	-177.9	-34.6	0	0	111.6	L152 N153 N158 E159 E160	L152-Q156 PolarHBondContact O-N 2.99Å; N153-Q156 PolarHBondContact O-N 3.02Å; N153-Q156 VanDerWaalsContact O-N 3.14Å; Q156-N158 VanDerWaalsContact C-N 3.29Å; Q156-N158 PolarHBondContact O-N 2.83Å; Q156-E159 WeakPolarHBondContact O-CA 3.33Å; Q156-E159 WeakPolarHBondContact O-CB 3.28Å; Q156-E159 PolarHBondContact O-N 2.86Å; Q156-E160 PolarHBondContact NE2-OE1 3.45Å; Q156-E160 VanDerWaalsContact NE2-OE1 3.08Å; Q156-E160 WeakPolarHBondContact O-CG 3.21Å; Q156-E160 PolarHBondContact O-N 3.31Å
157	E	91.9	Very high	87.6	Confident	122 Å²	122	100.8 Å²	100.8	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-58.2	-43	176.5	-73.1	178.1	-176.1	0	0	111.1	N153 E159 E160 L161	N153-E157 WeakPolarHBondContact O-CG 3.43Å; N153-E157 PolarHBondContact O-N 2.91Å; E157-E159 VanDerWaalsContact C-N 3.33Å; E157-E159 PolarHBondContact O-N 2.88Å; E157-E160 PolarHBondContact O-N 3.05Å; E157-L161 WeakPolarHBondContact O-CB 3.3Å; E157-L161 VanDerWaalsContact O-CG 3.28Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.94Å
158	N	92.6	Very high	87.3	Confident	93 Å²	93	106.5 Å²	106.5	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-37.6	174.9	-78.3	-47.8	0	0	0	112.5	E154 Q156 R162	E154-N158 VanDerWaalsContact O-CB 3.3Å; E154-N158 WeakPolarHBondContact O-CB 3.42Å; E154-N158 VanDerWaalsContact O-CG 3.24Å; E154-N158 PolarHBondContact O-N 2.98Å; E154-N158 PolarHBondContact O-ND2 3.14Å; Q156-N158 VanDerWaalsContact C-N 3.29Å; Q156-N158 PolarHBondContact O-N 2.83Å; N158-R162 WeakPolarHBondContact O-CB 3.5Å; N158-R162 WeakPolarHBondContact O-CG 3.49Å; N158-R162 PolarHBondContact O-N 3.24Å
159	E	92.3	Very high	86.7	Confident	102 Å²	102	110.7 Å²	110.7	48%	0.477	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-43.4	175.1	-164	-168.5	157.7	0	0	111.5	A155 Q156 E157 R162 K163	A155-E159 PolarHBondContact O-N 3.37Å; Q156-E159 WeakPolarHBondContact O-CA 3.33Å; Q156-E159 WeakPolarHBondContact O-CB 3.28Å; Q156-E159 PolarHBondContact O-N 2.86Å; E157-E159 VanDerWaalsContact C-N 3.33Å; E157-E159 PolarHBondContact O-N 2.88Å; E159-R162 PolarHBondContact O-N 2.81Å; E159-K163 WeakPolarHBondContact O-CG 3.37Å; E159-K163 PolarHBondContact O-N 2.93Å; E159-K163 WeakPolarHBondContact OE1-CE 3.44Å; E159-K163 IonicContact OE1-NZ 3.34Å; E159-K163 PolarHBondContact OE1-NZ 3.11Å
160	E	91.8	Very high	86.4	Confident	111 Å²	111	113.9 Å²	113.9	52%	0.519	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-43.3	175.9	-71.6	-177.8	-169.2	0	0	111.7	Q156 E157 R162 K163 G164	Q156-E160 PolarHBondContact NE2-OE1 3.45Å; Q156-E160 VanDerWaalsContact NE2-OE1 3.08Å; Q156-E160 WeakPolarHBondContact O-CG 3.21Å; Q156-E160 PolarHBondContact O-N 3.31Å; E157-E160 PolarHBondContact O-N 3.05Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 2.86Å; E160-K163 PolarHBondContact O-N 3.49Å; E160-G164 PolarHBondContact O-N 3.41Å
161	L	90.7	Very high	85.8	Confident	119 Å²	119	113.7 Å²	113.7	62%	0.623	54%	0.536	S	S	*	.	H	α-helix	trans	-60.3	-40.6	173.2	-74.2	169.6	0	0	0	112.1	E157 G164 R165	E157-L161 WeakPolarHBondContact O-CB 3.3Å; E157-L161 VanDerWaalsContact O-CG 3.28Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.94Å; L161-G164 PolarHBondContact O-N 3.24Å; L161-R165 PolarHBondContact O-N 3.01Å
162	R	90.7	Very high	85	Confident	185 Å²	185	115 Å²	115	70%	0.698	54%	0.542	S	S	*	.	H	α-helix	trans	-67.5	-40.4	176.1	-73.2	176.7	98.4	176.4	8.9	111.8	N158 E159 E160 R165 R166	N158-R162 WeakPolarHBondContact O-CB 3.5Å; N158-R162 WeakPolarHBondContact O-CG 3.49Å; N158-R162 PolarHBondContact O-N 3.24Å; E159-R162 PolarHBondContact O-N 2.81Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 2.86Å; R162-R165 PolarHBondContact O-N 3.32Å; R162-R166 WeakPolarHBondContact O-CG 3.25Å; R162-R166 PolarHBondContact O-N 2.97Å
163	K	91	Very high	84.1	Confident	116 Å²	116	115.8 Å²	115.8	50%	0.504	55%	0.547	S	S	.	.	H	α-helix	trans	-63.4	-46.3	173.8	-74.3	172.6	-178.5	165.3	0	110.9	E159 E160 R165 R166 Q167	E159-K163 WeakPolarHBondContact O-CG 3.37Å; E159-K163 PolarHBondContact O-N 2.93Å; E159-K163 WeakPolarHBondContact OE1-CE 3.44Å; E159-K163 IonicContact OE1-NZ 3.34Å; E159-K163 PolarHBondContact OE1-NZ 3.11Å; E160-K163 PolarHBondContact O-N 3.49Å; K163-R165 PolarHBondContact O-N 3.08Å; K163-R166 WeakPolarHBondContact O-CB 3.2Å; K163-R166 PolarHBondContact O-N 3.2Å; K163-R166 VanDerWaalsContact O-N 3.1Å; K163-Q167 PolarHBondContact O-N 3.09Å
164	G	88.3	Confident	82.9	Confident	26 Å²	26	117.9 Å²	117.9	27%	0.268	56%	0.558	S	S	.	*	H	α-helix	trans	-62.1	-37.8	176.3	0	0	0	0	0	113.2	E160 L161 R168	E160-G164 PolarHBondContact O-N 3.41Å; L161-G164 PolarHBondContact O-N 3.24Å; G164-R168 PolarHBondContact O-N 3.41Å; G164-R168 VanDerWaalsContact O-N 3.12Å
165	R	86.1	Confident	81.4	Confident	188 Å²	188	120 Å²	120	71%	0.709	57%	0.568	S	S	*	*	H	α-helix	trans	-65.6	-39.8	172	-177.7	-178.3	-91.5	-167.9	-3.5	112.1	L161 R162 K163 F169	L161-R165 PolarHBondContact O-N 3.01Å; R162-R165 PolarHBondContact O-N 3.32Å; K163-R165 PolarHBondContact O-N 3.08Å; R165-F169 PolarHBondContact O-N 3.14Å
166	R	82.1	Confident	79.7	Confident	184 Å²	184	120.9 Å²	120.9	69%	0.694	58%	0.575	S	S	*	*	H	α-helix	trans	-65.8	-41.7	176.4	-77.5	179.4	172.3	-174.6	-2.3	112.2	R162 K163 F169 Q170	R162-R166 WeakPolarHBondContact O-CG 3.25Å; R162-R166 PolarHBondContact O-N 2.97Å; K163-R166 WeakPolarHBondContact O-CB 3.2Å; K163-R166 PolarHBondContact O-N 3.2Å; K163-R166 VanDerWaalsContact O-N 3.1Å; R166-F169 WeakPolarHBondContact O-CB 3.49Å; R166-F169 PolarHBondContact O-N 3.34Å; R166-Q170 PolarHBondContact O-N 3.1Å
167	Q	81.4	Confident	78	Confident	117 Å²	117	121 Å²	121	55%	0.547	58%	0.583	S	S	.	*	H	α-helix	trans	-63.3	-46.1	178.3	-170.6	173.8	11	0	0	111.5	K163 F169 Q170 D171	K163-Q167 PolarHBondContact O-N 3.09Å; Q167-F169 PolarHBondContact O-N 2.66Å; Q167-Q170 PolarHBondContact O-N 3.04Å; Q167-Q170 VanDerWaalsContact O-N 3.09Å; Q167-D171 PolarHBondContact O-N 3.26Å
168	R	78.3	Confident	76.1	Confident	174 Å²	174	124.1 Å²	124.1	66%	0.657	60%	0.597	S	S	*	*	H	α-helix	trans	-59.8	-31.6	174.7	-74.1	-170.3	-63.4	-133	-3.8	114	G164 S172	G164-R168 PolarHBondContact O-N 3.41Å; G164-R168 VanDerWaalsContact O-N 3.12Å; R168-S172 WeakPolarHBondContact O-CB 3.43Å; R168-S172 PolarHBondContact O-N 3.47Å
169	F	72	Confident	74.3	Confident	138 Å²	138	124.3 Å²	124.3	61%	0.605	60%	0.602	S	S	*	*	H	α-helix	trans	-71.4	-41.6	175.7	-173	-92.1	0	0	0	111	R165 R166 Q167 S172 D173	R165-F169 PolarHBondContact O-N 3.14Å; R166-F169 WeakPolarHBondContact O-CB 3.49Å; R166-F169 PolarHBondContact O-N 3.34Å; Q167-F169 PolarHBondContact O-N 2.66Å; F169-S172 PolarHBondContact O-N 2.88Å; F169-D173 WeakPolarHBondContact CE1-OD2 3.32Å; F169-D173 PolarHBondContact O-N 3.12Å
170	Q	73.2	Confident	72.2	Confident	122 Å²	122	124.7 Å²	124.7	57%	0.57	62%	0.616	S	S	*	*	H	α-helix	trans	-66.2	-46.2	176.2	-73.8	177.3	-22	0	0	112.3	R166 Q167 S172 D173 D174	R166-Q170 PolarHBondContact O-N 3.1Å; Q167-Q170 PolarHBondContact O-N 3.04Å; Q167-Q170 VanDerWaalsContact O-N 3.09Å; Q170-S172 PolarHBondContact O-N 2.98Å; Q170-D173 WeakPolarHBondContact O-CB 3Å; Q170-D173 PolarHBondContact O-N 3.39Å; Q170-D174 PolarHBondContact O-N 2.91Å; Q170-D174 VanDerWaalsContact O-N 3.1Å
171	D	72.7	Confident	70.4	Confident	87 Å²	87	124.4 Å²	124.4	47%	0.465	62%	0.622	S	S	.	*	H	α-helix	trans	-61.6	-31.4	177.9	-68.4	-7.3	0	0	0	111.8	Q167 D173 D174 E175	Q167-D171 PolarHBondContact O-N 3.26Å; D171-D173 VanDerWaalsContact C-N 3.32Å; D171-D174 PolarHBondContact O-N 3.41Å; D171-E175 PolarHBondContact O-N 3.38Å
172	S	71.9	Confident	68.4	Low	81 Å²	81	124.5 Å²	124.5	57%	0.566	63%	0.629	S	S	*	*	H	α-helix	trans	-70.1	-27	174.2	-173.7	0	0	0	0	113.3	R168 F169 Q170	R168-S172 WeakPolarHBondContact O-CB 3.43Å; R168-S172 PolarHBondContact O-N 3.47Å; F169-S172 PolarHBondContact O-N 2.88Å; Q170-S172 PolarHBondContact O-N 2.98Å
173	D	63.7	Low	66.4	Low	98 Å²	98	125.7 Å²	125.7	52%	0.524	64%	0.64	S	S	.	*	H	α-helix	trans	-80	-31.3	175.9	-72.8	-28.4	0	0	0	111	F169 Q170 D171 A176	F169-D173 WeakPolarHBondContact CE1-OD2 3.32Å; F169-D173 PolarHBondContact O-N 3.12Å; Q170-D173 WeakPolarHBondContact O-CB 3Å; Q170-D173 PolarHBondContact O-N 3.39Å; D171-D173 VanDerWaalsContact C-N 3.32Å; D173-A176 VanDerWaalsContact O-CB 3.28Å; D173-A176 WeakPolarHBondContact O-CB 3.43Å; D173-A176 PolarHBondContact O-N 3.44Å
174	D	60	Low	64.2	Low	137 Å²	137	128.5 Å²	128.5	73%	0.733	65%	0.654	S	S	*	*	H	α-helix	trans	-77.5	-32.9	176.3	-77.3	-56.9	0	0	0	112.8	Q170 D171 A176	Q170-D174 PolarHBondContact O-N 2.91Å; Q170-D174 VanDerWaalsContact O-N 3.1Å; D171-D174 PolarHBondContact O-N 3.41Å; D174-A176 PolarHBondContact O-N 3.41Å
175	E	58.2	Low	62.5	Low	158 Å²	158	138.4 Å²	138.4	74%	0.738	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	7.1	171.5	-74.7	-71.5	139.3	0	0	113	D171 V177	D171-E175 PolarHBondContact O-N 3.38Å; E175-V177 WeakPolarHBondContact O-CG2 3.46Å; E175-V177 PolarHBondContact O-N 2.94Å
176	A	54.9	Low	60.8	Low	76 Å²	76	142.2 Å²	142.2	63%	0.628	70%	0.698	S	S	*	*	S	Bend	trans	-67.9	75.3	160.4	0	0	0	0	0	108.8	D173 D174	D173-A176 VanDerWaalsContact O-CB 3.28Å; D173-A176 WeakPolarHBondContact O-CB 3.43Å; D173-A176 PolarHBondContact O-N 3.44Å; D174-A176 PolarHBondContact O-N 3.41Å
177	V	55.5	Low	59.1	Low	107 Å²	107	137 Å²	137	65%	0.648	70%	0.701	S	S	*	*			trans	-2.3	120.8	164.2	-165.4	0	0	0	0	112	E175 V179	E175-V177 WeakPolarHBondContact O-CG2 3.46Å; E175-V177 PolarHBondContact O-N 2.94Å; V177-V179 HydrophobicContact CB-CG2 4.01Å; V177-V179 HydrophobicContact CG1-CG2 3.74Å; V177-V179 PolarHBondContact O-N 3.37Å
178	E	51.5	Low	57.6	Low	187 Å²	187	139.6 Å²	139.6	87%	0.874	71%	0.706	S	S	*	*			trans	-51.4	62.2	151	-72.5	-91	161.9	0	0	109.8	S180	E178-S180 PolarHBondContact O-N 3.09Å
179	V	53.5	Low	56.4	Low	98 Å²	98	142.1 Å²	142.1	59%	0.594	72%	0.715	S	S	*	*			trans	-70.9	94	155.4	-177.9	0	0	0	0	102.2	V177 T181	V177-V179 HydrophobicContact CB-CG2 4.01Å; V177-V179 HydrophobicContact CG1-CG2 3.74Å; V177-V179 PolarHBondContact O-N 3.37Å; V179-T181 HydrophobicContact CG1-CG2 4.2Å; V179-T181 PolarHBondContact O-N 3.44Å; V179-T181 PolarHBondContact O-OG1 3.17Å
180	S	50	Low	55.6	Low	109 Å²	109	139.6 Å²	139.6	76%	0.762	71%	0.706	S	S	*	*			trans	-46.1	78.6	168.1	50.2	0	0	0	0	110.3	E178	E178-S180 PolarHBondContact O-N 3.09Å
181	T	53.9	Low	54.8	Low	106 Å²	106	138 Å²	138	65%	0.65	70%	0.704	S	S	*	*			trans	-93.3	114.8	164.6	48.3	0	0	0	0	105.4	V179 K183	V179-T181 HydrophobicContact CG1-CG2 4.2Å; V179-T181 PolarHBondContact O-N 3.44Å; V179-T181 PolarHBondContact O-OG1 3.17Å; T181-K183 PolarHBondContact O-N 3Å
182	P	47.6	Very low	54.3	Low	120 Å²	120	138.5 Å²	138.5	78%	0.779	71%	0.714	S	S	*	*			trans	-58.9	125.9	-172.2	12.6	-20.3	0	0	0	110.2	H184	P182-H184 PolarHBondContact O-N 3.01Å
183	K	48.5	Very low	54	Low	210 Å²	210	140 Å²	140	91%	0.913	72%	0.716	S	S	*	*	S	Bend	trans	-58.7	20.4	-173.2	-83.7	177.2	174.5	165.6	0	116.8	T181	T181-K183 PolarHBondContact O-N 3Å
184	H	45.9	Very low	54.3	Low	176 Å²	176	137.5 Å²	137.5	82%	0.815	70%	0.702	S	S	*	*			trans	-107.3	91.3	175.1	-90.2	-53.3	0	0	0	111.5	P182	P182-H184 PolarHBondContact O-N 3.01Å
185	R	51.1	Low	55.1	Low	234 Å²	234	135.7 Å²	135.7	88%	0.883	69%	0.693	S	S	*	*			trans	169.5	74.2	133.8	-90	160.5	-178.5	-161.5	1.3	110.9	G187	R185-G187 PolarHBondContact O-N 2.87Å
186	R	50.1	Low	55.9	Low	267 Å²	267	132.1 Å²	132.1	100%	1.008	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	12.8	162	-79.1	-173.2	173.7	-172.5	-1.8	113.6
187	G	47.7	Very low	57	Low	74 Å²	74	136.4 Å²	136.4	76%	0.763	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-12.2	-166.9	0	0	0	0	0	116.3	R185	R185-G187 PolarHBondContact O-N 2.87Å
188	R	49.5	Very low	58.1	Low	172 Å²	172	134.3 Å²	134.3	65%	0.649	68%	0.678	S	S	*	*			trans	-158.6	81.3	-173.2	-152.2	170.3	-169.6	-144.1	2.8	109.7	E190	R188-E190 VanDerWaalsContact CD-OE2 3.26Å; R188-E190 WeakPolarHBondContact CD-OE2 3.44Å; R188-E190 HydrophobicContact CG-CB 4.03Å; R188-E190 HydrophobicContact CG-CG 3.86Å; R188-E190 IonicContact CZ-OE1 3.25Å; R188-E190 IonicContact CZ-OE2 2.82Å; R188-E190 VanDerWaalsContact NE-CD 3.34Å; R188-E190 IonicContact NE-OE1 3.24Å; R188-E190 PolarHBondContact NE-OE1 3.02Å; R188-E190 IonicContact NE-OE2 2.87Å; R188-E190 PolarHBondContact NE-OE2 3.27Å; R188-E190 IonicContact NH1-OE1 3.63Å; R188-E190 PolarHBondContact NH1-OE1 3.1Å; R188-E190 IonicContact NH1-OE2 2.76Å; R188-E190 PolarHBondContact NH1-OE2 3.23Å; R188-E190 IonicContact NH2-OE1 3.33Å; R188-E190 PolarHBondContact NH2-OE1 3.41Å; R188-E190 PolarHBondContact O-N 2.95Å
189	R	52	Low	59.3	Low	227 Å²	227	130.2 Å²	130.2	86%	0.857	67%	0.667	S	S	*	*			trans	-69.8	71.9	162.9	-167	176.6	-177.3	-169	0.3	106.2
190	E	56.2	Low	60.4	Low	85 Å²	85	126.3 Å²	126.3	40%	0.397	65%	0.645	S	S	.	*			trans	-74.7	158.8	-179.3	-131.6	174.2	167.1	0	0	108.2	R188 S192 D193	R188-E190 VanDerWaalsContact CD-OE2 3.26Å; R188-E190 WeakPolarHBondContact CD-OE2 3.44Å; R188-E190 HydrophobicContact CG-CB 4.03Å; R188-E190 HydrophobicContact CG-CG 3.86Å; R188-E190 IonicContact CZ-OE1 3.25Å; R188-E190 IonicContact CZ-OE2 2.82Å; R188-E190 VanDerWaalsContact NE-CD 3.34Å; R188-E190 IonicContact NE-OE1 3.24Å; R188-E190 PolarHBondContact NE-OE1 3.02Å; R188-E190 IonicContact NE-OE2 2.87Å; R188-E190 PolarHBondContact NE-OE2 3.27Å; R188-E190 IonicContact NH1-OE1 3.63Å; R188-E190 PolarHBondContact NH1-OE1 3.1Å; R188-E190 IonicContact NH1-OE2 2.76Å; R188-E190 PolarHBondContact NH1-OE2 3.23Å; R188-E190 IonicContact NH2-OE1 3.33Å; R188-E190 PolarHBondContact NH2-OE1 3.41Å; R188-E190 PolarHBondContact O-N 2.95Å; E190-S192 PolarHBondContact O-N 2.88Å; E190-D193 PolarHBondContact O-N 3.3Å; E190-D193 VanDerWaalsContact O-N 3.15Å
191	V	56.3	Low	61.7	Low	89 Å²	89	121.5 Å²	121.5	54%	0.539	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-49	-18.6	-174.1	-178.8	0	0	0	0	114.4	D193 L194	V191-D193 VanDerWaalsContact C-N 3.27Å; V191-D193 PolarHBondContact O-N 3.23Å; V191-L194 PolarHBondContact O-N 3.23Å
192	S	61.6	Low	62.8	Low	97 Å²	97	125.3 Å²	125.3	68%	0.678	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-65.1	-20	178.3	57.7	0	0	0	0	115.5	E190 L194	E190-S192 PolarHBondContact O-N 2.88Å; S192-L194 VanDerWaalsContact C-N 3.3Å
193	D	65.6	Low	64.3	Low	112 Å²	112	121.5 Å²	121.5	60%	0.599	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-91.3	9	-176.9	-58.9	-18.7	0	0	0	113	E190 V191	E190-D193 PolarHBondContact O-N 3.3Å; E190-D193 VanDerWaalsContact O-N 3.15Å; V191-D193 VanDerWaalsContact C-N 3.27Å; V191-D193 PolarHBondContact O-N 3.23Å
194	L	69.8	Low	65.9	Low	46 Å²	46	119 Å²	119	24%	0.241	59%	0.589	C	S	.	*	S	Bend	trans	-101.4	142.4	177.2	-68.4	155.5	0	0	0	109.5	V191 S192 P196 A201	V191-L194 PolarHBondContact O-N 3.23Å; S192-L194 VanDerWaalsContact C-N 3.3Å; L194-P196 WeakPolarHBondContact O-CD 3.32Å; L194-A201 HydrophobicContact CB-CB 4.02Å
195	D	77.1	Confident	67.5	Low	100 Å²	100	114.6 Å²	114.6	54%	0.535	57%	0.574	S	S	.	*			trans	-53.7	124.4	175.7	-177.2	-7.7	0	0	0	109.2	M197 D198 A201	D195-M197 PolarHBondContact O-N 3.06Å; D195-M197 WeakPolarHBondContact OD1-CB 3.49Å; D195-M197 PolarHBondContact OD1-N 3.09Å; D195-D198 HydrophobicContact CB-CB 4.16Å; D195-D198 VanDerWaalsContact O-CB 3.29Å; D195-D198 WeakPolarHBondContact O-CB 3.45Å; D195-D198 PolarHBondContact O-N 3.49Å; D195-A201 WeakPolarHBondContact O-CB 3.49Å
196	P	75.1	Confident	68.7	Low	83 Å²	83	109.1 Å²	109.1	54%	0.539	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.8	-20	172.9	-24.8	33.7	0	0	0	113.3	L194 Y202	L194-P196 WeakPolarHBondContact O-CD 3.32Å; P196-Y202 WeakPolarHBondContact O-CE2 3.42Å
197	M	78.7	Confident	69.9	Low	166 Å²	166	102.7 Å²	102.7	82%	0.818	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.2	175	-66	-69.5	169.8	0	0	113.5	D195 P199	D195-M197 PolarHBondContact O-N 3.06Å; D195-M197 WeakPolarHBondContact OD1-CB 3.49Å; D195-M197 PolarHBondContact OD1-N 3.09Å; M197-P199 WeakPolarHBondContact O-CD 3.35Å
198	D	77.7	Confident	71.1	Confident	63 Å²	63	101.6 Å²	101.6	34%	0.337	53%	0.533	S	S	.	.			trans	-73.4	120.7	176	-173.5	-14	0	0	0	109.2	D195 A200 A201	D195-D198 HydrophobicContact CB-CB 4.16Å; D195-D198 VanDerWaalsContact O-CB 3.29Å; D195-D198 WeakPolarHBondContact O-CB 3.45Å; D195-D198 PolarHBondContact O-N 3.49Å; D198-A200 PolarHBondContact O-N 2.77Å; D198-A200 VanDerWaalsContact O-N 3.08Å; D198-A200 VanDerWaalsContact OD1-CB 3.28Å; D198-A200 WeakPolarHBondContact OD1-CB 3.47Å; D198-A200 PolarHBondContact OD1-N 3.2Å; D198-A201 HydrophobicContact CB-CB 4.33Å; D198-A201 WeakPolarHBondContact O-CA 3.5Å; D198-A201 WeakPolarHBondContact O-CB 3.42Å; D198-A201 PolarHBondContact O-N 2.79Å
199	P	77.3	Confident	72.4	Confident	100 Å²	100	100.7 Å²	100.7	65%	0.649	53%	0.534	S	S	*	.	H	α-helix	trans	-53.8	-32	175.1	-24.7	33.6	0	0	0	112.3	M197 A201 Y202 S203	M197-P199 WeakPolarHBondContact O-CD 3.35Å; P199-A201 PolarHBondContact O-N 2.94Å; P199-Y202 PolarHBondContact O-N 3.05Å; P199-S203 WeakPolarHBondContact O-CB 3.44Å; P199-S203 PolarHBondContact O-N 3.45Å; P199-S203 PolarHBondContact O-OG 2.87Å
200	A	77.3	Confident	73.1	Confident	16 Å²	16	102.5 Å²	102.5	13%	0.132	54%	0.541	C	S	.	.	H	α-helix	trans	-68.3	-18.4	176.1	0	0	0	0	0	112.4	D198 Y202 R207	D198-A200 PolarHBondContact O-N 2.77Å; D198-A200 VanDerWaalsContact O-N 3.08Å; D198-A200 VanDerWaalsContact OD1-CB 3.28Å; D198-A200 WeakPolarHBondContact OD1-CB 3.47Å; D198-A200 PolarHBondContact OD1-N 3.2Å; A200-Y202 VanDerWaalsContact C-N 3.32Å; A200-R207 VanDerWaalsContact C-NH1 3.29Å; A200-R207 PolarHBondContact O-NH1 2.95Å; A200-R207 PolarHBondContact O-NH2 3.42Å
201	A	76.4	Confident	73.8	Confident	9 Å²	9	101.4 Å²	101.4	7%	0.074	54%	0.543	C	S	.	.	H	α-helix	trans	-66.4	-34.9	176.6	0	0	0	0	0	112.1	L194 D195 D198 P199	L194-A201 HydrophobicContact CB-CB 4.02Å; D195-A201 WeakPolarHBondContact O-CB 3.49Å; D198-A201 HydrophobicContact CB-CB 4.33Å; D198-A201 WeakPolarHBondContact O-CA 3.5Å; D198-A201 WeakPolarHBondContact O-CB 3.42Å; D198-A201 PolarHBondContact O-N 2.79Å; P199-A201 PolarHBondContact O-N 2.94Å
202	Y	77.3	Confident	74.6	Confident	185 Å²	185	100.6 Å²	100.6	73%	0.725	54%	0.541	S	S	*	.	H	α-helix	trans	-115	-12	-176.8	-60.6	-66.6	0	0	0	115	P196 P199 A200	P196-Y202 WeakPolarHBondContact O-CE2 3.42Å; P199-Y202 PolarHBondContact O-N 3.05Å; A200-Y202 VanDerWaalsContact C-N 3.32Å
203	S	78.2	Confident	75	Confident	41 Å²	41	100 Å²	100	29%	0.287	55%	0.55	S	S	.	.	S	Bend	trans	-100	162.7	179	67.9	0	0	0	0	113.3	P199 V205	P199-S203 WeakPolarHBondContact O-CB 3.44Å; P199-S203 PolarHBondContact O-N 3.45Å; P199-S203 PolarHBondContact O-OG 2.87Å; S203-V205 PolarHBondContact O-N 2.71Å; S203-V205 WeakPolarHBondContact OG-CB 3.49Å; S203-V205 WeakPolarHBondContact OG-CG2 3.42Å
204	D	82.2	Confident	75.2	Confident	158 Å²	158	101 Å²	101	85%	0.845	56%	0.555	S	S	*	*			trans	-77.7	4.7	171	63	-29.9	0	0	0	113.2
205	V	80.3	Confident	75	Confident	82 Å²	82	106.6 Å²	106.6	50%	0.497	58%	0.579	S	S	.	*			trans	-59.3	123.6	180	177.5	0	0	0	0	109.3	S203 R207	S203-V205 PolarHBondContact O-N 2.71Å; S203-V205 WeakPolarHBondContact OG-CB 3.49Å; S203-V205 WeakPolarHBondContact OG-CG2 3.42Å; V205-R207 PolarHBondContact O-N 3.1Å
206	P	75.4	Confident	74.2	Confident	119 Å²	119	106.4 Å²	106.4	77%	0.773	59%	0.586	S	S	*	*			trans	-60.1	128.6	-177.3	21.3	-31.3	0	0	0	110.7	G208	P206-G208 PolarHBondContact O-N 3.47Å; P206-G208 VanDerWaalsContact O-N 3.07Å
207	R	75.5	Confident	73.4	Confident	132 Å²	132	106.2 Å²	106.2	50%	0.498	58%	0.583	S	S	.	*			trans	-70.1	105.5	-179.9	-60	-177.1	-166.4	-67	-10.5	110.1	A200 V205	A200-R207 VanDerWaalsContact C-NH1 3.29Å; A200-R207 PolarHBondContact O-NH1 2.95Å; A200-R207 PolarHBondContact O-NH2 3.42Å; V205-R207 PolarHBondContact O-N 3.1Å
208	G	73.8	Confident	72.2	Confident	51 Å²	51	100.2 Å²	100.2	53%	0.526	56%	0.564	S	S	.	*			trans	-74.9	146.9	174.3	0	0	0	0	0	112.8	P206 S212	P206-G208 PolarHBondContact O-N 3.47Å; P206-G208 VanDerWaalsContact O-N 3.07Å; G208-S212 VanDerWaalsContact CA-OG 3.29Å; G208-S212 WeakPolarHBondContact CA-OG 3.37Å
209	K	76.8	Confident	71.2	Confident	154 Å²	154	99.2 Å²	99.2	67%	0.67	56%	0.56	S	S	*	*			trans	-75.4	164.7	157.4	46.1	164.9	175.5	159.7	0	108.9	S211 S212	K209-S211 VanDerWaalsContact CD-OG 3.27Å; K209-S211 WeakPolarHBondContact CD-OG 3.47Å; K209-S211 WeakPolarHBondContact CE-OG 3.24Å; K209-S211 PolarHBondContact NZ-OG 3.38Å; K209-S211 VanDerWaalsContact NZ-OG 3.13Å; K209-S211 PolarHBondContact O-N 2.87Å; K209-S212 WeakPolarHBondContact O-CB 3.35Å; K209-S212 PolarHBondContact O-N 3.49Å; K209-S212 PolarHBondContact O-OG 3.11Å
210	W	67	Low	70	Confident	265 Å²	265	99 Å²	99	100%	1.004	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-18.5	-179.9	-72.1	30.8	0	0	0	114.9
211	S	70.3	Confident	68.9	Low	62 Å²	62	107.8 Å²	107.8	43%	0.434	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.8	9.5	176.1	82.2	0	0	0	0	114.4	K209	K209-S211 VanDerWaalsContact CD-OG 3.27Å; K209-S211 WeakPolarHBondContact CD-OG 3.47Å; K209-S211 WeakPolarHBondContact CE-OG 3.24Å; K209-S211 PolarHBondContact NZ-OG 3.38Å; K209-S211 VanDerWaalsContact NZ-OG 3.13Å; K209-S211 PolarHBondContact O-N 2.87Å
212	S	73.9	Confident	68.2	Low	71 Å²	71	109.5 Å²	109.5	50%	0.497	61%	0.613	S	S	.	*	S	Bend	trans	-80.8	128.9	179	61	0	0	0	0	110.8	G208 K209 L214	G208-S212 VanDerWaalsContact CA-OG 3.29Å; G208-S212 WeakPolarHBondContact CA-OG 3.37Å; K209-S212 WeakPolarHBondContact O-CB 3.35Å; K209-S212 PolarHBondContact O-N 3.49Å; K209-S212 PolarHBondContact O-OG 3.11Å; S212-L214 VanDerWaalsContact C-N 3.32Å; S212-L214 PolarHBondContact O-N 3.17Å
213	G	68.8	Low	67.6	Low	84 Å²	84	101.9 Å²	101.9	87%	0.866	59%	0.591	S	S	*	*	S	Bend	trans	86.6	-7.5	176.4	0	0	0	0	0	115.4	E215	G213-E215 PolarHBondContact O-N 2.63Å
214	L	69.5	Low	67.3	Low	134 Å²	134	100.5 Å²	100.5	70%	0.702	58%	0.581	S	S	*	*			trans	-70.4	122.7	166.5	-86.3	155.9	0	0	0	108.8	S212 S216	S212-L214 VanDerWaalsContact C-N 3.32Å; S212-L214 PolarHBondContact O-N 3.17Å; L214-S216 PolarHBondContact O-N 3.47Å; L214-S216 VanDerWaalsContact O-N 3.11Å
215	E	66.5	Low	66.5	Low	163 Å²	163	96.2 Å²	96.2	76%	0.762	56%	0.558	S	S	*	*			trans	-52.1	119.8	167.5	-71.4	-176.9	172.5	0	0	108.2	G213 V217	G213-E215 PolarHBondContact O-N 2.63Å; E215-V217 HydrophobicContact CB-CB 4.34Å; E215-V217 HydrophobicContact CB-CG2 3.83Å; E215-V217 PolarHBondContact O-N 2.84Å
216	S	60.5	Low	66	Low	97 Å²	97	95.6 Å²	95.6	68%	0.678	56%	0.555	S	S	*	*			trans	-72.4	26.7	174	53.2	0	0	0	0	111.7	L214 G218	L214-S216 PolarHBondContact O-N 3.47Å; L214-S216 VanDerWaalsContact O-N 3.11Å; S216-G218 PolarHBondContact O-N 3.04Å
217	V	57.6	Low	65.8	Low	79 Å²	79	95.8 Å²	95.8	48%	0.479	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	105.2	177.7	174.2	0	0	0	0	107.3	E215 V219 I251	E215-V217 HydrophobicContact CB-CB 4.34Å; E215-V217 HydrophobicContact CB-CG2 3.83Å; E215-V217 PolarHBondContact O-N 2.84Å; V217-V219 PolarHBondContact O-N 3.42Å; V217-I251 HydrophobicContact CG1-CD1 4.41Å; V217-I251 HydrophobicContact CG1-CG1 4.22Å
218	G	54.6	Low	65.7	Low	40 Å²	40	91.1 Å²	91.1	41%	0.412	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.1	172.3	0	0	0	0	0	116.9	S216 A220	S216-G218 PolarHBondContact O-N 3.04Å; G218-A220 PolarHBondContact O-N 2.86Å
219	V	55.6	Low	65.8	Low	41 Å²	41	94.1 Å²	94.1	25%	0.248	55%	0.554	C	S	.	*			trans	29.4	56.4	168.8	-174.2	0	0	0	0	112.4	V217 K221 S222 V224 P226	V217-V219 PolarHBondContact O-N 3.42Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 2.87Å; V219-S222 PolarHBondContact O-N 2.82Å; V219-V224 VanDerWaalsContact CG1-O 3.24Å; V219-V224 WeakPolarHBondContact CG1-O 3.46Å; V219-P226 HydrophobicContact CB-CG 4.4Å; V219-P226 HydrophobicContact CG1-CB 4.22Å; V219-P226 HydrophobicContact CG1-CG 3.9Å; V219-P226 VanDerWaalsContact CG2-CD 3.47Å; V219-P226 HydrophobicContact CG2-CG 3.6Å
220	A	53.3	Low	66	Low	95 Å²	95	88.9 Å²	88.9	79%	0.785	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.1	-5.6	154.3	0	0	0	0	0	122.6	G218	G218-A220 PolarHBondContact O-N 2.86Å
221	K	53.7	Low	66.7	Low	202 Å²	202	81 Å²	81	88%	0.878	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.7	-32.5	168.3	-110.6	154.4	-175.8	176.4	0	114.9	V219	V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 2.87Å
222	S	62.1	Low	67.1	Low	44 Å²	44	82.7 Å²	82.7	31%	0.308	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-17.1	-170.7	58.1	0	0	0	0	113.3	V219 V224 P239	V219-S222 PolarHBondContact O-N 2.82Å; S222-V224 PolarHBondContact O-N 2.88Å; S222-V224 PolarHBondContact OG-N 2.8Å; S222-P239 WeakPolarHBondContact O-CG 3.28Å
223	G	64.8	Low	67.3	Low	25 Å²	25	83.3 Å²	83.3	26%	0.258	52%	0.524	S	S	.	.			trans	64.2	13	-171.8	0	0	0	0	0	113.1
224	V	70.2	Confident	67.9	Low	12 Å²	12	87.2 Å²	87.2	7%	0.073	52%	0.52	C	S	.	.			trans	-90.2	129.9	-179.9	-177.6	0	0	0	0	109	V219 S222 P226 F233 Y238	V219-V224 VanDerWaalsContact CG1-O 3.24Å; V219-V224 WeakPolarHBondContact CG1-O 3.46Å; S222-V224 PolarHBondContact O-N 2.88Å; S222-V224 PolarHBondContact OG-N 2.8Å; V224-P226 WeakPolarHBondContact O-CD 3.1Å; V224-F233 HydrophobicContact CB-CE2 4.17Å; V224-F233 HydrophobicContact CB-CZ 4.28Å; V224-F233 HydrophobicContact CG1-CD2 4Å; V224-F233 HydrophobicContact CG1-CE2 3.38Å; V224-F233 HydrophobicContact CG1-CZ 3.82Å; V224-Y238 HydrophobicContact CG2-CD1 3.99Å; V224-Y238 HydrophobicContact CG2-CE1 4.14Å
225	D	66.6	Low	68.5	Low	68 Å²	68	88.2 Å²	88.2	36%	0.364	52%	0.521	S	S	.	.			trans	-64.5	117.2	174.5	164.1	28.1	0	0	0	111.4	T227 R236	D225-T227 VanDerWaalsContact C-N 3.32Å; D225-T227 WeakPolarHBondContact OD1-CB 3.29Å; D225-T227 PolarHBondContact OD1-N 3.13Å; D225-T227 PolarHBondContact OD1-OG1 2.78Å; D225-R236 IonicContact OD2-CZ 3.35Å; D225-R236 IonicContact OD2-NH1 3.03Å; D225-R236 PolarHBondContact OD2-NH1 2.64Å
226	P	69.4	Low	68.9	Low	69 Å²	69	85.1 Å²	85.1	45%	0.448	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.9	-174.8	37.3	-36.9	0	0	0	112.7	V219 V224 V228	V219-P226 HydrophobicContact CB-CG 4.4Å; V219-P226 HydrophobicContact CG1-CB 4.22Å; V219-P226 HydrophobicContact CG1-CG 3.9Å; V219-P226 VanDerWaalsContact CG2-CD 3.47Å; V219-P226 HydrophobicContact CG2-CG 3.6Å; V224-P226 WeakPolarHBondContact O-CD 3.1Å; P226-V228 PolarHBondContact O-N 3.08Å; P226-V228 VanDerWaalsContact O-N 3.13Å
227	T	72.3	Confident	69.8	Low	123 Å²	123	86.2 Å²	86.2	76%	0.755	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.2	-179.2	-49	0	0	0	0	112	D225	D225-T227 VanDerWaalsContact C-N 3.32Å; D225-T227 WeakPolarHBondContact OD1-CB 3.29Å; D225-T227 PolarHBondContact OD1-N 3.13Å; D225-T227 PolarHBondContact OD1-OG1 2.78Å
228	V	71.5	Confident	70.8	Confident	35 Å²	35	91.4 Å²	91.4	21%	0.212	52%	0.519	C	S	.	.	S	Bend	trans	-105.5	120.2	177.9	-178.5	0	0	0	0	110.4	P226 L232	P226-V228 PolarHBondContact O-N 3.08Å; P226-V228 VanDerWaalsContact O-N 3.13Å; V228-L232 HydrophobicContact CG1-CB 3.75Å; V228-L232 HydrophobicContact CG1-CD2 3.71Å; V228-L232 HydrophobicContact CG1-CG 3.9Å
229	S	77.1	Confident	72.1	Confident	114 Å²	114	91.2 Å²	91.2	80%	0.797	51%	0.511	S	S	*	.			trans	-90.8	153.4	172.9	59.4	0	0	0	0	112.5
230	G	81.2	Confident	73.4	Confident	44 Å²	44	92.4 Å²	92.4	45%	0.454	52%	0.524	S	S	.	.	S	Bend	trans	91.3	-157.5	167.3	0	0	0	0	0	115.2	L232 F233	G230-L232 PolarHBondContact O-N 2.6Å; G230-L232 VanDerWaalsContact O-N 3.15Å; G230-F233 VanDerWaalsContact O-CB 3.25Å; G230-F233 WeakPolarHBondContact O-CB 3.37Å; G230-F233 PolarHBondContact O-N 2.98Å
231	P	81.8	Confident	74.7	Confident	98 Å²	98	93 Å²	93	64%	0.636	52%	0.52	S	S	*	.	H	α-helix	trans	-58.7	-30.3	-173.4	-23.3	32.5	0	0	0	113.7	F233 Q234	P231-F233 PolarHBondContact O-N 2.95Å; P231-Q234 PolarHBondContact O-N 2.94Å; P231-Q234 VanDerWaalsContact O-N 3.12Å
232	L	78.9	Confident	76.3	Confident	99 Å²	99	85.2 Å²	85.2	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-25.8	179.3	-167.2	64.5	0	0	0	112.4	V228 G230 Q234	V228-L232 HydrophobicContact CG1-CB 3.75Å; V228-L232 HydrophobicContact CG1-CD2 3.71Å; V228-L232 HydrophobicContact CG1-CG 3.9Å; G230-L232 PolarHBondContact O-N 2.6Å; G230-L232 VanDerWaalsContact O-N 3.15Å; L232-Q234 VanDerWaalsContact C-N 3.32Å
233	F	77.6	Confident	77.4	Confident	84 Å²	84	84.8 Å²	84.8	37%	0.368	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-36.8	173	-179.5	-100.4	0	0	0	111.8	V224 G230 P231	V224-F233 HydrophobicContact CB-CE2 4.17Å; V224-F233 HydrophobicContact CB-CZ 4.28Å; V224-F233 HydrophobicContact CG1-CD2 4Å; V224-F233 HydrophobicContact CG1-CE2 3.38Å; V224-F233 HydrophobicContact CG1-CZ 3.82Å; G230-F233 VanDerWaalsContact O-CB 3.25Å; G230-F233 WeakPolarHBondContact O-CB 3.37Å; G230-F233 PolarHBondContact O-N 2.98Å; P231-F233 PolarHBondContact O-N 2.95Å
234	Q	80.4	Confident	78.1	Confident	166 Å²	166	85.9 Å²	85.9	78%	0.776	50%	0.496	S	S	*	.	H	α-helix	trans	-77	-22.9	-175.7	-64.4	176.5	-9.7	0	0	113.4	P231 L232 R236	P231-Q234 PolarHBondContact O-N 2.94Å; P231-Q234 VanDerWaalsContact O-N 3.12Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; Q234-R236 VanDerWaalsContact C-N 3.33Å
235	Q	82.6	Confident	78.8	Confident	155 Å²	155	90.8 Å²	90.8	72%	0.724	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.8	-178.5	-66.8	-177.7	-7.6	0	0	113.6
236	R	75.9	Confident	79.6	Confident	97 Å²	97	93.3 Å²	93.3	37%	0.366	53%	0.531	S	S	.	.	S	Bend	trans	-80.9	134.9	-177.5	-75	-179.2	157.9	-148.4	-5.6	111.6	D225 Q234 Y238	D225-R236 IonicContact OD2-CZ 3.35Å; D225-R236 IonicContact OD2-NH1 3.03Å; D225-R236 PolarHBondContact OD2-NH1 2.64Å; Q234-R236 VanDerWaalsContact C-N 3.33Å; R236-Y238 PolarHBondContact O-N 3.45Å
237	P	79.3	Confident	80.2	Confident	120 Å²	120	93.9 Å²	93.9	78%	0.779	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-61.3	132.5	173.8	-18.3	29.7	0	0	0	110.8
238	Y	78.9	Confident	80.6	Confident	188 Å²	188	92.2 Å²	92.2	74%	0.737	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-62.9	143.5	169.2	-69.9	-80.9	0	0	0	110.2	V224 R236	V224-Y238 HydrophobicContact CG2-CD1 3.99Å; V224-Y238 HydrophobicContact CG2-CE1 4.14Å; R236-Y238 PolarHBondContact O-N 3.45Å
239	P	80.3	Confident	81.2	Confident	37 Å²	37	98.4 Å²	98.4	24%	0.24	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-60.5	146.7	172.9	24.2	-31.3	0	0	0	110.4	S222 A243 I244	S222-P239 WeakPolarHBondContact O-CG 3.28Å; P239-A243 HydrophobicContact CB-CB 4.33Å; P239-I244 HydrophobicContact CB-CG1 4.31Å; P239-I244 HydrophobicContact CG-CD1 4.1Å; P239-I244 HydrophobicContact CG-CG1 3.9Å
240	A	83.6	Confident	81.5	Confident	65 Å²	65	98.3 Å²	98.3	54%	0.537	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-58.9	144.2	173.7	0	0	0	0	0	109.8	G242 A243	A240-G242 PolarHBondContact O-N 3.32Å; A240-A243 WeakPolarHBondContact O-CB 3.33Å; A240-A243 PolarHBondContact O-N 3.46Å
241	P	81.7	Confident	81.4	Confident	107 Å²	107	98 Å²	98	70%	0.695	51%	0.509	S	S	*	.	H	α-helix	trans	-52.2	-31.7	-178.7	-28.9	34.6	0	0	0	114.1	L245	P241-L245 PolarHBondContact O-N 3.12Å
242	G	87.1	Confident	81.3	Confident	39 Å²	39	100.4 Å²	100.4	40%	0.402	51%	0.509	S	S	.	.	H	α-helix	trans	-68.1	-32.8	175.9	0	0	0	0	0	114.7	A240 L245 Q246	A240-G242 PolarHBondContact O-N 3.32Å; G242-L245 PolarHBondContact O-N 3.03Å; G242-Q246 WeakPolarHBondContact O-CG 3.28Å; G242-Q246 PolarHBondContact O-N 2.94Å; G242-Q246 VanDerWaalsContact O-N 3.09Å
243	A	83.5	Confident	81.4	Confident	36 Å²	36	104.5 Å²	104.5	30%	0.298	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-39	178.7	0	0	0	0	0	111.4	P239 A240 L245 Q246 Q247	P239-A243 HydrophobicContact CB-CB 4.33Å; A240-A243 WeakPolarHBondContact O-CB 3.33Å; A240-A243 PolarHBondContact O-N 3.46Å; A243-L245 VanDerWaalsContact C-N 3.32Å; A243-L245 PolarHBondContact O-N 2.77Å; A243-Q246 WeakPolarHBondContact O-CB 3.35Å; A243-Q246 PolarHBondContact O-N 3.38Å; A243-Q247 WeakPolarHBondContact O-CG 3.17Å; A243-Q247 PolarHBondContact O-N 3.32Å
244	I	81	Confident	81.3	Confident	48 Å²	48	107.6 Å²	107.6	25%	0.246	53%	0.533	C	S	.	.	H	α-helix	trans	-61.6	-42.3	174.7	-58.1	175.5	0	0	0	110.5	P239 Q246 Q247 N248	P239-I244 HydrophobicContact CB-CG1 4.31Å; P239-I244 HydrophobicContact CG-CD1 4.1Å; P239-I244 HydrophobicContact CG-CG1 3.9Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 3.15Å; I244-Q247 PolarHBondContact O-N 2.61Å; I244-N248 WeakPolarHBondContact O-CB 3.29Å; I244-N248 VanDerWaalsContact O-CG 3.28Å; I244-N248 PolarHBondContact O-N 3.27Å
245	L	83.3	Confident	80.9	Confident	114 Å²	114	107.3 Å²	107.3	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-35.5	176.5	-71.8	168.9	0	0	0	112.5	P241 G242 A243 R249	P241-L245 PolarHBondContact O-N 3.12Å; G242-L245 PolarHBondContact O-N 3.03Å; A243-L245 VanDerWaalsContact C-N 3.32Å; A243-L245 PolarHBondContact O-N 2.77Å; L245-R249 WeakPolarHBondContact O-CB 3.27Å; L245-R249 WeakPolarHBondContact O-CG 3.14Å; L245-R249 PolarHBondContact O-N 3.07Å; L245-R249 VanDerWaalsContact O-N 3.11Å
246	Q	84.5	Confident	80	Confident	121 Å²	121	113.1 Å²	113.1	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-67.3	-48.4	174.7	-72.1	174.6	0.4	0	0	111.1	G242 A243 I244 N248 R249 E250	G242-Q246 WeakPolarHBondContact O-CG 3.28Å; G242-Q246 PolarHBondContact O-N 2.94Å; G242-Q246 VanDerWaalsContact O-N 3.09Å; A243-Q246 WeakPolarHBondContact O-CB 3.35Å; A243-Q246 PolarHBondContact O-N 3.38Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 3.15Å; Q246-N248 PolarHBondContact O-N 3.39Å; Q246-R249 WeakPolarHBondContact O-CB 3.41Å; Q246-R249 PolarHBondContact O-N 3.13Å; Q246-R249 VanDerWaalsContact O-N 3.08Å; Q246-E250 WeakPolarHBondContact O-CG 3.22Å; Q246-E250 PolarHBondContact O-N 3.15Å
247	Q	81	Confident	80.2	Confident	81 Å²	81	113.9 Å²	113.9	38%	0.379	56%	0.556	S	S	.	*	H	α-helix	trans	-57.3	-46.8	175.9	-73.9	177.9	-23.6	0	0	111.9	A243 I244 R249 E250 I251	A243-Q247 WeakPolarHBondContact O-CG 3.17Å; A243-Q247 PolarHBondContact O-N 3.32Å; I244-Q247 PolarHBondContact O-N 2.61Å; Q247-R249 VanDerWaalsContact C-N 3.27Å; Q247-R249 PolarHBondContact O-N 3.18Å; Q247-E250 PolarHBondContact O-N 3.31Å; Q247-E250 VanDerWaalsContact O-N 3.1Å; Q247-I251 WeakPolarHBondContact O-CG1 3.41Å; Q247-I251 PolarHBondContact O-N 2.73Å
248	N	81.2	Confident	80.3	Confident	89 Å²	89	113.6 Å²	113.6	48%	0.476	54%	0.544	S	S	.	.	H	α-helix	trans	-63.3	-33.5	177.6	-71.8	-13.4	0	0	0	112.5	I244 Q246 K252	I244-N248 WeakPolarHBondContact O-CB 3.29Å; I244-N248 VanDerWaalsContact O-CG 3.28Å; I244-N248 PolarHBondContact O-N 3.27Å; Q246-N248 PolarHBondContact O-N 3.39Å; N248-K252 VanDerWaalsContact O-CB 3.25Å; N248-K252 WeakPolarHBondContact O-CB 3.17Å; N248-K252 PolarHBondContact O-N 2.73Å; N248-K252 VanDerWaalsContact O-N 3.09Å
249	R	84.4	Confident	80.3	Confident	165 Å²	165	109.4 Å²	109.4	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-70.8	-33.5	174.6	-76.5	173.3	66	-176.2	0.4	112.2	L245 Q246 Q247 R253	L245-R249 WeakPolarHBondContact O-CB 3.27Å; L245-R249 WeakPolarHBondContact O-CG 3.14Å; L245-R249 PolarHBondContact O-N 3.07Å; L245-R249 VanDerWaalsContact O-N 3.11Å; Q246-R249 WeakPolarHBondContact O-CB 3.41Å; Q246-R249 PolarHBondContact O-N 3.13Å; Q246-R249 VanDerWaalsContact O-N 3.08Å; Q247-R249 VanDerWaalsContact C-N 3.27Å; Q247-R249 PolarHBondContact O-N 3.18Å; R249-R253 WeakPolarHBondContact O-CG 3.25Å; R249-R253 PolarHBondContact O-N 2.79Å
250	E	83.3	Confident	80.3	Confident	112 Å²	112	113.7 Å²	113.7	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-72.9	-46	176.3	-73.3	170.4	-174.6	0	0	111.7	Q246 Q247 K252 R253 Q254	Q246-E250 WeakPolarHBondContact O-CG 3.22Å; Q246-E250 PolarHBondContact O-N 3.15Å; Q247-E250 PolarHBondContact O-N 3.31Å; Q247-E250 VanDerWaalsContact O-N 3.1Å; E250-K252 VanDerWaalsContact C-N 3.31Å; E250-K252 PolarHBondContact O-N 3.35Å; E250-R253 WeakPolarHBondContact O-CA 3.48Å; E250-R253 WeakPolarHBondContact O-CB 3.22Å; E250-R253 PolarHBondContact O-N 2.82Å; E250-Q254 PolarHBondContact O-N 2.8Å
251	I	78.6	Confident	80.1	Confident	38 Å²	38	116.8 Å²	116.8	20%	0.195	55%	0.552	C	S	.	*	H	α-helix	trans	-56.3	-48.9	173.8	-65.9	165.3	0	0	0	109.7	V217 Q247 R253 Q254 E255	V217-I251 HydrophobicContact CG1-CD1 4.41Å; V217-I251 HydrophobicContact CG1-CG1 4.22Å; Q247-I251 WeakPolarHBondContact O-CG1 3.41Å; Q247-I251 PolarHBondContact O-N 2.73Å; I251-R253 PolarHBondContact O-N 2.87Å; I251-R253 VanDerWaalsContact O-N 3.14Å; I251-Q254 PolarHBondContact O-N 2.99Å; I251-E255 HydrophobicContact CG2-CG 4.47Å; I251-E255 WeakPolarHBondContact O-CG 3.26Å; I251-E255 PolarHBondContact O-N 2.78Å
252	K	79.7	Confident	80	Confident	148 Å²	148	117.4 Å²	117.4	64%	0.643	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-21.6	177.1	-169.2	173.2	-175.2	175.3	0	113.9	N248 E250	N248-K252 VanDerWaalsContact O-CB 3.25Å; N248-K252 WeakPolarHBondContact O-CB 3.17Å; N248-K252 PolarHBondContact O-N 2.73Å; N248-K252 VanDerWaalsContact O-N 3.09Å; E250-K252 VanDerWaalsContact C-N 3.31Å; E250-K252 PolarHBondContact O-N 3.35Å
253	R	81.7	Confident	79.5	Confident	184 Å²	184	123 Å²	123	69%	0.694	55%	0.552	S	S	*	*	H	α-helix	trans	-82.1	-30.2	173.3	-82.5	175.3	171.7	-162.9	-3.5	112.3	R249 E250 I251	R249-R253 WeakPolarHBondContact O-CG 3.25Å; R249-R253 PolarHBondContact O-N 2.79Å; E250-R253 WeakPolarHBondContact O-CA 3.48Å; E250-R253 WeakPolarHBondContact O-CB 3.22Å; E250-R253 PolarHBondContact O-N 2.82Å; I251-R253 PolarHBondContact O-N 2.87Å; I251-R253 VanDerWaalsContact O-N 3.14Å
254	Q	76.2	Confident	79.2	Confident	150 Å²	150	129.7 Å²	129.7	70%	0.701	57%	0.572	S	S	*	*	H	α-helix	trans	-78.1	-31.3	177.2	-68.6	175.1	0.6	0	0	112.1	E250 I251 R256	E250-Q254 PolarHBondContact O-N 2.8Å; I251-Q254 PolarHBondContact O-N 2.99Å; Q254-R256 PolarHBondContact O-N 3.33Å
255	E	71.6	Confident	79.1	Confident	159 Å²	159	136.5 Å²	136.5	74%	0.743	60%	0.599	S	S	*	*			trans	-73	-6.8	174.2	-69.4	177.6	164.3	0	0	113.9	I251	I251-E255 HydrophobicContact CG2-CG 4.47Å; I251-E255 WeakPolarHBondContact O-CG 3.26Å; I251-E255 PolarHBondContact O-N 2.78Å
256	R	63.5	Low	78.7	Confident	277 Å²	277	138.5 Å²	138.5	100%	1.045	60%	0.599	S	S	*	*			trans	-106.6	0	-173.6	-127.7	-171.4	-177.1	-143.5	-1.1	112.1	Q254	Q254-R256 PolarHBondContact O-N 3.33Å

Retrieved 256 of 256 residues in 425.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).