A0A077ZH27_TRITR Loading...

Neural cell expressed developmentally down-regula ted protein 1

AlphaFold DB , UniProt , Accession A0A077ZH27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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	34	Very low	36.7	Very low	240 Å²	240	129.3 Å²	129.3	100%	1.182	72%	0.724	S	S	*	*				0	93.2	0	-66.3	176.4	-160.3	0	0	107.5	T3	M1-T3 PolarHBondContact O-N 3.03Å
2	A	36.3	Very low	37.8	Very low	98 Å²	98	127.3 Å²	127.3	81%	0.81	72%	0.716	S	S	*	*			trans	-71.2	115.7	166.7	0	0	0	0	0	106.3	F4	A2-F4 PolarHBondContact O-N 3.47Å
3	T	37.7	Very low	39.5	Very low	93 Å²	93	128.2 Å²	128.2	57%	0.571	71%	0.712	S	S	*	*			trans	-59.5	132.6	-176.8	33.1	0	0	0	0	110.4	M1 A5 Q6	M1-T3 PolarHBondContact O-N 3.03Å; T3-A5 PolarHBondContact O-N 2.77Å; T3-Q6 PolarHBondContact O-N 3.3Å; T3-Q6 VanDerWaalsContact O-N 3.11Å
4	F	41.8	Very low	41.3	Very low	182 Å²	182	119.3 Å²	119.3	80%	0.798	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.1	-15.8	176.3	-136.9	-99.6	0	0	0	114.7	A2 S7	A2-F4 PolarHBondContact O-N 3.47Å; F4-S7 PolarHBondContact O-OG 3.11Å
5	A	37.9	Very low	43.2	Very low	70 Å²	70	115.4 Å²	115.4	58%	0.579	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-26.3	177.9	0	0	0	0	0	114.9	T3	T3-A5 PolarHBondContact O-N 2.77Å
6	Q	36.5	Very low	45.2	Very low	149 Å²	149	108.5 Å²	108.5	70%	0.696	61%	0.606	S	S	*	*	S	Bend	trans	-86.1	-16.8	-179.5	-95.1	149.3	-21.1	0	0	114.2	T3	T3-Q6 PolarHBondContact O-N 3.3Å; T3-Q6 VanDerWaalsContact O-N 3.11Å
7	S	31.4	Very low	47.3	Very low	85 Å²	85	108.9 Å²	108.9	59%	0.594	60%	0.6	S	S	*	*	S	Bend	trans	-82.1	-11.7	175.4	39.5	0	0	0	0	114.1	F4	F4-S7 PolarHBondContact O-OG 3.11Å
8	V	32.6	Very low	49	Very low	86 Å²	86	104.9 Å²	104.9	52%	0.521	58%	0.577	S	S	.	*	S	Bend	trans	-94.5	-15.8	-176.1	-175.7	0	0	0	0	113.2	N10	V8-N10 PolarHBondContact O-N 3.5Å
9	L	36.4	Very low	50.6	Low	149 Å²	149	103.2 Å²	103.2	78%	0.78	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	1.8	-178.6	-94.7	150.3	0	0	0	115	L11	L9-L11 PolarHBondContact O-N 2.96Å
10	N	36.4	Very low	52.1	Low	141 Å²	141	99 Å²	99	75%	0.754	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	24.3	164.2	-78.8	-8.9	0	0	0	112.2	V8 V12	V8-N10 PolarHBondContact O-N 3.5Å; N10-V12 PolarHBondContact O-N 3.26Å
11	L	42.7	Very low	53.5	Low	129 Å²	129	98.1 Å²	98.1	68%	0.675	55%	0.548	S	S	*	.			trans	-59.5	92.1	152.6	-85.4	157.5	0	0	0	105.8	L9 Q13	L9-L11 PolarHBondContact O-N 2.96Å; L11-Q13 PolarHBondContact O-N 2.9Å
12	V	50	Low	55.7	Low	105 Å²	105	89.8 Å²	89.8	64%	0.636	51%	0.506	S	S	*	.			trans	-58.8	92.4	169.8	178.7	0	0	0	0	105.4	N10 C14	N10-V12 PolarHBondContact O-N 3.26Å; V12-C14 PolarHBondContact O-N 3.08Å
13	Q	59.4	Low	57.7	Low	140 Å²	140	93 Å²	93	65%	0.654	50%	0.497	S	S	*	.			trans	-60.8	109.6	170.8	-80.3	-176.9	-14.7	0	0	105.2	L11 P15 V47	L11-Q13 PolarHBondContact O-N 2.9Å; Q13-P15 WeakPolarHBondContact O-CD 3.49Å; Q13-V47 HydrophobicContact CB-CG1 3.83Å; Q13-V47 HydrophobicContact CG-CG1 3.8Å
14	C	64.5	Low	59.7	Low	3 Å²	3	94.6 Å²	94.6	2%	0.02	50%	0.502	C	S	.	.			trans	-72.7	113	175.5	-151.1	0	0	0	0	108	V12 C16 C48 C53	V12-C14 PolarHBondContact O-N 3.08Å; C14-C16 PolarHBondContact O-N 2.86Å; C14-C48 HydrophobicContact CB-CB 3.55Å; C14-C48 VanDerWaalsContact O-CB 3.28Å; C14-C48 WeakPolarHBondContact O-CB 3.45Å; C14-C48 PolarHBondContact O-N 3.34Å; C14-C48 PolarHBondContact O-SG 3.08Å; C14-C48 VanDerWaalsContact O-SG 3.39Å; C14-C53 WeakPolarHBondContact CA-SG 3.5Å; C14-C53 HydrophobicContact CB-CB 4.16Å; C14-C53 WeakPolarHBondContact CB-SG 3.12Å; C14-C53 WeakPolarHBondContact SG-CA 3.22Å; C14-C53 WeakPolarHBondContact SG-CB 3.39Å; C14-C53 CovalentContact SG-SG 2.02Å; C14-C53 PolarHBondContact SG-SG 3.07Å
15	P	70.3	Confident	60.9	Low	61 Å²	61	86.9 Å²	86.9	40%	0.396	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-70	124.6	174	30.1	-32.1	0	0	0	107.9	Q13 K17	Q13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-K17 HydrophobicContact CB-CB 4.46Å; P15-K17 PolarHBondContact O-N 2.01Å
16	C	75.5	Confident	62.4	Low	5 Å²	5	88.2 Å²	88.2	3%	0.034	47%	0.467	C	S	.	.			trans	-73.5	95.5	163.7	-101.3	0	0	0	0	107.8	C14 W35 C40 A43 E46 C48 Q74	C14-C16 PolarHBondContact O-N 2.86Å; C16-W35 HydrophobicContact CB-CZ2 3.93Å; C16-W35 WeakPolarHBondContact O-CZ2 2.93Å; C16-C40 VanDerWaalsContact CA-SG 3.51Å; C16-C40 HydrophobicContact CB-CB 3.84Å; C16-C40 WeakPolarHBondContact CB-SG 3.39Å; C16-C40 WeakPolarHBondContact SG-CA 3.43Å; C16-C40 WeakPolarHBondContact SG-CB 3.28Å; C16-C40 CovalentContact SG-SG 2.02Å; C16-C40 PolarHBondContact SG-SG 3.25Å; C16-A43 HydrophobicContact CB-CB 3.92Å; C16-A43 VanDerWaalsContact SG-CB 3.51Å; C16-E46 WeakPolarHBondContact CB-O 2.82Å; C16-E46 PolarHBondContact N-O 3.33Å; C16-C48 PolarHBondContact SG-SG 3.26Å; C16-Q74 WeakPolarHBondContact CA-O 3.44Å
17	K	81.3	Confident	63.5	Low	115 Å²	115	81.3 Å²	81.3	50%	0.5	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143	-176	-173.7	174.6	178.5	179.5	0	112.1	P15 W35 Q74	P15-K17 HydrophobicContact CB-CB 4.46Å; P15-K17 PolarHBondContact O-N 2.01Å; K17-W35 PolarHBondContact O-NE1 2.95Å; K17-Q74 PolarHBondContact N-O 3.16Å; K17-Q74 PolarHBondContact O-N 3.4Å; K17-Q74 VanDerWaalsContact O-O 3.13Å
18	I	76.4	Confident	65.1	Low	37 Å²	37	77.3 Å²	77.3	19%	0.19	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.5	168.3	-168	174.2	0	0	0	110.2	M20 V31 Q32 W35 T72 L73	I18-M20 HydrophobicContact CD1-CE 4.08Å; I18-M20 HydrophobicContact CD1-CG 3.8Å; I18-M20 HydrophobicContact CD1-SD 3.48Å; I18-M20 WeakPolarHBondContact CD1-SD 3.28Å; I18-M20 HydrophobicContact CG1-CG 3.62Å; I18-M20 HydrophobicContact CG1-SD 3.95Å; I18-V31 HydrophobicContact CD1-CG1 3.9Å; I18-Q32 HydrophobicContact CD1-CG 4.03Å; I18-W35 HydrophobicContact CB-CD2 4.05Å; I18-W35 HydrophobicContact CB-CE3 4.39Å; I18-W35 HydrophobicContact CB-CG 4.3Å; I18-W35 HydrophobicContact CD1-CB 4.3Å; I18-W35 HydrophobicContact CD1-CG 4.4Å; I18-W35 HydrophobicContact CG2-CD2 4.35Å; I18-W35 HydrophobicContact CG2-CE3 4.18Å; I18-W35 HydrophobicContact CG2-CZ3 4.4Å; I18-T72 WeakPolarHBondContact CA-O 2.93Å; I18-L73 HydrophobicContact CD1-CG 4.24Å; I18-L73 HydrophobicContact CG1-CG 4.24Å
19	T	79.8	Confident	67	Low	73 Å²	73	80.7 Å²	80.7	45%	0.448	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.2	171.8	-52.9	0	0	0	0	108.4	Y71 T72	T19-Y71 CarbonylContact O-C 3.5Å; T19-Y71 WeakPolarHBondContact O-CA 3.36Å; T19-T72 PolarHBondContact N-O 3.49Å; T19-T72 PolarHBondContact O-N 3.1Å
20	M	80.3	Confident	68.4	Low	19 Å²	19	75.5 Å²	75.5	9%	0.094	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.5	-173.5	-49.3	-179.7	77.6	0	0	109.9	I18 E22 R23 A28 V31 Q32 Y71	I18-M20 HydrophobicContact CD1-CE 4.08Å; I18-M20 HydrophobicContact CD1-CG 3.8Å; I18-M20 HydrophobicContact CD1-SD 3.48Å; I18-M20 WeakPolarHBondContact CD1-SD 3.28Å; I18-M20 HydrophobicContact CG1-CG 3.62Å; I18-M20 HydrophobicContact CG1-SD 3.95Å; M20-E22 VanDerWaalsContact C-N 3.29Å; M20-E22 VanDerWaalsContact CB-O 3.28Å; M20-E22 WeakPolarHBondContact CB-O 2.83Å; M20-R23 HydrophobicContact CB-CG 4.39Å; M20-A28 VanDerWaalsContact CE-CA 3.4Å; M20-A28 HydrophobicContact CE-CB 3.43Å; M20-A28 VanDerWaalsContact CE-CB 3.43Å; M20-A28 WeakPolarHBondContact CE-O 2.87Å; M20-V31 HydrophobicContact CE-CB 4.21Å; M20-V31 HydrophobicContact CE-CG1 4.35Å; M20-Q32 HydrophobicContact CE-CG 4.12Å; M20-Q32 HydrophobicContact SD-CG 3.67Å; M20-Q32 PolarHBondContact SD-NE2 3.1Å; M20-Y71 HydrophobicContact CB-CD1 3.69Å; M20-Y71 HydrophobicContact CB-CE1 4.11Å; M20-Y71 HydrophobicContact CE-CD1 3.34Å; M20-Y71 HydrophobicContact CE-CE1 3.35Å; M20-Y71 HydrophobicContact CE-CG 4.21Å; M20-Y71 HydrophobicContact CG-CD1 3.81Å; M20-Y71 HydrophobicContact CG-CE1 4.46Å; M20-Y71 HydrophobicContact SD-CD1 4.47Å
21	S	82.5	Confident	69.9	Low	81 Å²	81	68.8 Å²	68.8	57%	0.566	35%	0.35	S	S	*	.	S	Bend	trans	-75.3	-21.3	171.4	69.6	0	0	0	0	112.7	A69 N70	S21-A69 WeakPolarHBondContact OG-CA 3.16Å; S21-A69 WeakPolarHBondContact OG-CB 3.41Å; S21-N70 PolarHBondContact N-O 3.44Å; S21-N70 PolarHBondContact OG-N 3.31Å; S21-N70 PolarHBondContact OG-O 3.3Å
22	E	79.6	Confident	71.1	Confident	64 Å²	64	65.3 Å²	65.3	30%	0.299	33%	0.33	S	S	.	.			trans	-134.8	139.8	175.9	176.7	53.2	-110.3	0	0	109.3	M20 N24 A28 L63 A69 Y71	M20-E22 VanDerWaalsContact C-N 3.29Å; M20-E22 VanDerWaalsContact CB-O 3.28Å; M20-E22 WeakPolarHBondContact CB-O 2.83Å; E22-N24 PolarHBondContact OE1-N 3.43Å; E22-A28 WeakPolarHBondContact O-CB 3.34Å; E22-L63 HydrophobicContact CB-CD1 4.2Å; E22-L63 HydrophobicContact CG-CD1 3.87Å; E22-L63 HydrophobicContact CG-CD2 4.36Å; E22-A69 HydrophobicContact CB-CB 3.78Å; E22-Y71 WeakPolarHBondContact O-CE1 3.13Å
23	R	78.2	Confident	72.1	Confident	167 Å²	167	68.8 Å²	68.8	63%	0.63	33%	0.332	S	S	*	.	S	Bend	trans	-119.7	-20.8	-175.8	-64.4	-174.8	-176.2	-161.9	0.8	114.1	M20	M20-R23 HydrophobicContact CB-CG 4.39Å
24	N	79.8	Confident	72.6	Confident	126 Å²	126	64.5 Å²	64.5	67%	0.674	31%	0.31	S	S	*	.	S	Bend	trans	-101.8	-12.3	-167.9	-65.5	-34	0	0	0	113.5	E22	E22-N24 PolarHBondContact OE1-N 3.43Å
25	S	68.3	Low	72.9	Confident	19 Å²	19	65.7 Å²	65.7	13%	0.133	31%	0.314	C	S	.	.	S	Bend	trans	-67	159.5	178.5	69.8	0	0	0	0	112.7	E27 A28 R29 L63 Y71	S25-E27 WeakPolarHBondContact CB-OE2 3.12Å; S25-E27 PolarHBondContact O-N 2.82Å; S25-A28 PolarHBondContact O-N 3.39Å; S25-A28 WeakPolarHBondContact OG-CB 3.44Å; S25-A28 PolarHBondContact OG-N 3.35Å; S25-R29 WeakPolarHBondContact O-CG 3.38Å; S25-R29 PolarHBondContact O-N 3Å; S25-L63 WeakPolarHBondContact OG-CD2 3.48Å; S25-Y71 PolarHBondContact OG-OH 3.13Å
26	I	68.3	Low	73	Confident	99 Å²	99	69.2 Å²	69.2	51%	0.508	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-37.1	175.8	-62.7	173.2	0	0	0	109.8	S30 T64	I26-S30 WeakPolarHBondContact O-CB 3.41Å; I26-S30 PolarHBondContact O-N 3Å; I26-S30 VanDerWaalsContact O-N 3.07Å; I26-S30 PolarHBondContact O-OG 3.43Å; I26-T64 HydrophobicContact CD1-CG2 4.44Å
27	E	59.7	Low	72.7	Confident	4 Å²	4	72 Å²	72	2%	0.019	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-49	174.6	-63.9	76	-166.4	0	0	110.7	S25 R29 S30 V31 V61 L63 T64	S25-E27 WeakPolarHBondContact CB-OE2 3.12Å; S25-E27 PolarHBondContact O-N 2.82Å; E27-R29 VanDerWaalsContact C-N 3.34Å; E27-R29 PolarHBondContact O-N 3.27Å; E27-S30 WeakPolarHBondContact O-CB 3.44Å; E27-S30 PolarHBondContact O-N 2.73Å; E27-S30 VanDerWaalsContact O-N 3.08Å; E27-V31 WeakPolarHBondContact O-CG2 2.96Å; E27-V31 PolarHBondContact O-N 2.87Å; E27-V61 HydrophobicContact CB-CG1 4.37Å; E27-V61 HydrophobicContact CG-CG1 4.28Å; E27-L63 HydrophobicContact CB-CD2 4.33Å; E27-T64 WeakPolarHBondContact OE1-CB 3.41Å; E27-T64 PolarHBondContact OE1-N 2.02Å; E27-T64 PolarHBondContact OE1-OG1 2.82Å; E27-T64 PolarHBondContact OE2-N 3.39Å
28	A	65	Low	71.9	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-45.7	179.6	0	0	0	0	0	111.7	M20 E22 S25 S30 V31 Q32 Y71	M20-A28 VanDerWaalsContact CE-CA 3.4Å; M20-A28 HydrophobicContact CE-CB 3.43Å; M20-A28 VanDerWaalsContact CE-CB 3.43Å; M20-A28 WeakPolarHBondContact CE-O 2.87Å; E22-A28 WeakPolarHBondContact O-CB 3.34Å; S25-A28 PolarHBondContact O-N 3.39Å; S25-A28 WeakPolarHBondContact OG-CB 3.44Å; S25-A28 PolarHBondContact OG-N 3.35Å; A28-S30 VanDerWaalsContact C-N 3.27Å; A28-S30 PolarHBondContact O-N 2.81Å; A28-V31 PolarHBondContact O-N 3.47Å; A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 VanDerWaalsContact O-CG 3.28Å; A28-Q32 WeakPolarHBondContact O-CG 3.35Å; A28-Q32 PolarHBondContact O-N 3.44Å; A28-Y71 HydrophobicContact CB-CE1 4.24Å
29	R	72.2	Confident	71.4	Confident	158 Å²	158	70.1 Å²	70.1	60%	0.596	33%	0.332	S	S	*	.	H	α-helix	trans	-62.6	-34.9	176.7	-67.4	178.9	-173.9	-168.2	0.9	112.7	S25 E27 R33	S25-R29 WeakPolarHBondContact O-CG 3.38Å; S25-R29 PolarHBondContact O-N 3Å; E27-R29 VanDerWaalsContact C-N 3.34Å; E27-R29 PolarHBondContact O-N 3.27Å; R29-R33 PolarHBondContact O-N 3.4Å; R29-R33 VanDerWaalsContact O-N 3.11Å
30	S	66.6	Low	71	Confident	39 Å²	39	67.3 Å²	67.3	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-70.3	-44.8	178.2	-57.7	0	0	0	0	111.1	I26 E27 A28 R33 Y34	I26-S30 WeakPolarHBondContact O-CB 3.41Å; I26-S30 PolarHBondContact O-N 3Å; I26-S30 VanDerWaalsContact O-N 3.07Å; I26-S30 PolarHBondContact O-OG 3.43Å; E27-S30 WeakPolarHBondContact O-CB 3.44Å; E27-S30 PolarHBondContact O-N 2.73Å; E27-S30 VanDerWaalsContact O-N 3.08Å; A28-S30 VanDerWaalsContact C-N 3.27Å; A28-S30 PolarHBondContact O-N 2.81Å; S30-R33 PolarHBondContact O-N 2.91Å; S30-Y34 PolarHBondContact O-N 2.94Å; S30-Y34 VanDerWaalsContact O-N 3.08Å
31	V	67.1	Low	70.5	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-46.2	174.8	178.9	0	0	0	0	110.5	I18 M20 E27 A28 R33 Y34 W35 Y71 L73 L102	I18-V31 HydrophobicContact CD1-CG1 3.9Å; M20-V31 HydrophobicContact CE-CB 4.21Å; M20-V31 HydrophobicContact CE-CG1 4.35Å; E27-V31 WeakPolarHBondContact O-CG2 2.96Å; E27-V31 PolarHBondContact O-N 2.87Å; A28-V31 PolarHBondContact O-N 3.47Å; V31-R33 VanDerWaalsContact C-N 3.29Å; V31-R33 PolarHBondContact O-N 3.17Å; V31-Y34 PolarHBondContact O-N 3.24Å; V31-W35 WeakPolarHBondContact O-CB 3.44Å; V31-W35 PolarHBondContact O-N 3.28Å; V31-Y71 HydrophobicContact CG1-CD2 4.39Å; V31-Y71 HydrophobicContact CG1-CG 4.24Å; V31-Y71 HydrophobicContact CG2-CD2 3.74Å; V31-Y71 HydrophobicContact CG2-CE2 3.82Å; V31-Y71 HydrophobicContact CG2-CG 4.33Å; V31-L73 HydrophobicContact CG1-CD1 3.72Å; V31-L73 HydrophobicContact CG1-CD2 3.8Å; V31-L73 HydrophobicContact CG1-CG 4.03Å; V31-L102 HydrophobicContact CB-CD2 4.35Å; V31-L102 HydrophobicContact CG1-CD2 4.49Å; V31-L102 HydrophobicContact CG2-CD1 3.62Å; V31-L102 HydrophobicContact CG2-CD2 3.67Å; V31-L102 HydrophobicContact CG2-CG 4.27Å
32	Q	68.8	Low	69.7	Low	57 Å²	57	72 Å²	72	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-38.8	176.8	-76.5	173.9	-10.2	0	0	112.6	I18 M20 A28 K36	I18-Q32 HydrophobicContact CD1-CG 4.03Å; M20-Q32 HydrophobicContact CE-CG 4.12Å; M20-Q32 HydrophobicContact SD-CG 3.67Å; M20-Q32 PolarHBondContact SD-NE2 3.1Å; A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 VanDerWaalsContact O-CG 3.28Å; A28-Q32 WeakPolarHBondContact O-CG 3.35Å; A28-Q32 PolarHBondContact O-N 3.44Å; Q32-K36 WeakPolarHBondContact O-CG 3.28Å; Q32-K36 PolarHBondContact O-N 3.21Å
33	R	71.1	Confident	69.2	Low	177 Å²	177	70.2 Å²	70.2	67%	0.668	32%	0.324	S	S	*	.	H	α-helix	trans	-65.3	-51.5	177.9	-173.5	-177	-63	159.6	0.6	110.8	R29 S30 V31 W35 K36 T37	R29-R33 PolarHBondContact O-N 3.4Å; R29-R33 VanDerWaalsContact O-N 3.11Å; S30-R33 PolarHBondContact O-N 2.91Å; V31-R33 VanDerWaalsContact C-N 3.29Å; V31-R33 PolarHBondContact O-N 3.17Å; R33-W35 VanDerWaalsContact C-N 3.3Å; R33-W35 PolarHBondContact O-N 3.31Å; R33-K36 PolarHBondContact O-N 3.4Å; R33-T37 HydrophobicContact CG-CG2 4.27Å; R33-T37 WeakPolarHBondContact O-CG2 3.47Å; R33-T37 PolarHBondContact O-N 3.02Å; R33-T37 PolarHBondContact O-OG1 2.92Å; R33-T37 VanDerWaalsContact O-OG1 3.1Å
34	Y	68.4	Low	68.6	Low	50 Å²	50	68.4 Å²	68.4	20%	0.196	33%	0.326	C	S	.	.	H	α-helix	trans	-55.8	-46.3	176.8	170.9	-98.5	0	0	0	111.5	S30 V31 K36 T37 E38 L39 E56 L73 Y103	S30-Y34 PolarHBondContact O-N 2.94Å; S30-Y34 VanDerWaalsContact O-N 3.08Å; V31-Y34 PolarHBondContact O-N 3.24Å; Y34-K36 PolarHBondContact O-N 3.11Å; Y34-T37 PolarHBondContact O-N 3.35Å; Y34-E38 HydrophobicContact CD2-CB 4.05Å; Y34-E38 HydrophobicContact CD2-CG 3.54Å; Y34-E38 HydrophobicContact CE2-CB 3.85Å; Y34-E38 HydrophobicContact CE2-CG 3.63Å; Y34-E38 HydrophobicContact CG-CG 4.39Å; Y34-E38 WeakPolarHBondContact O-CB 3.36Å; Y34-E38 PolarHBondContact O-N 3.48Å; Y34-L39 HydrophobicContact CD1-CD1 4.48Å; Y34-L39 HydrophobicContact CE1-CD1 3.95Å; Y34-L39 HydrophobicContact CE1-CG 4.09Å; Y34-E56 VanDerWaalsContact CE1-OE2 3.28Å; Y34-E56 WeakPolarHBondContact CE1-OE2 3.38Å; Y34-E56 PolarHBondContact OH-OE1 2.82Å; Y34-L73 HydrophobicContact CD1-CD2 3.99Å; Y34-L73 HydrophobicContact CE1-CD2 4.32Å; Y34-Y103 HydrophobicContact CE2-CD2 4.29Å; Y34-Y103 HydrophobicContact CE2-CE2 4.27Å
35	W	71.9	Confident	68.2	Low	29 Å²	29	70 Å²	70	11%	0.11	34%	0.335	C	S	.	.	I	π-helix	trans	-57.4	-47.1	176.5	176.2	72.2	0	0	0	112.3	C16 K17 I18 V31 R33 L39 C40 L73 Q74	C16-W35 HydrophobicContact CB-CZ2 3.93Å; C16-W35 WeakPolarHBondContact O-CZ2 2.93Å; K17-W35 PolarHBondContact O-NE1 2.95Å; I18-W35 HydrophobicContact CB-CD2 4.05Å; I18-W35 HydrophobicContact CB-CE3 4.39Å; I18-W35 HydrophobicContact CB-CG 4.3Å; I18-W35 HydrophobicContact CD1-CB 4.3Å; I18-W35 HydrophobicContact CD1-CG 4.4Å; I18-W35 HydrophobicContact CG2-CD2 4.35Å; I18-W35 HydrophobicContact CG2-CE3 4.18Å; I18-W35 HydrophobicContact CG2-CZ3 4.4Å; V31-W35 WeakPolarHBondContact O-CB 3.44Å; V31-W35 PolarHBondContact O-N 3.28Å; R33-W35 VanDerWaalsContact C-N 3.3Å; R33-W35 PolarHBondContact O-N 3.31Å; W35-L39 PolarHBondContact O-N 2.7Å; W35-C40 HydrophobicContact CZ2-CB 4.01Å; W35-C40 WeakPolarHBondContact CZ2-SG 3.25Å; W35-C40 PolarHBondContact NE1-SG 2.77Å; W35-C40 PolarHBondContact O-N 2.8Å; W35-L73 HydrophobicContact CB-CD2 3.9Å; W35-L73 HydrophobicContact CB-CG 4.41Å; W35-L73 HydrophobicContact CG-CD2 4.47Å; W35-Q74 PolarHBondContact NE1-O 2.02Å
36	K	72.6	Confident	68.1	Low	134 Å²	134	76.2 Å²	76.2	58%	0.583	36%	0.362	S	S	*	.	I	π-helix	trans	-67.2	-38.6	178.6	-73.5	-176.5	-178.8	-173.6	0	113.4	Q32 R33 Y34	Q32-K36 WeakPolarHBondContact O-CG 3.28Å; Q32-K36 PolarHBondContact O-N 3.21Å; R33-K36 PolarHBondContact O-N 3.4Å; Y34-K36 PolarHBondContact O-N 3.11Å
37	T	68	Low	67.9	Low	63 Å²	63	73.9 Å²	73.9	39%	0.387	35%	0.352	S	S	.	.	I	π-helix	trans	-89.8	-27.9	-171.5	62	0	0	0	0	113.9	R33 Y34 K41	R33-T37 HydrophobicContact CG-CG2 4.27Å; R33-T37 WeakPolarHBondContact O-CG2 3.47Å; R33-T37 PolarHBondContact O-N 3.02Å; R33-T37 PolarHBondContact O-OG1 2.92Å; R33-T37 VanDerWaalsContact O-OG1 3.1Å; Y34-T37 PolarHBondContact O-N 3.35Å; T37-K41 WeakPolarHBondContact O-CB 3.33Å
38	E	65.8	Low	68.2	Low	108 Å²	108	74.1 Å²	74.1	51%	0.505	35%	0.354	S	S	.	.	I	π-helix	trans	-111.2	-51.2	-174.6	-53.2	-48.6	130	0	0	112.4	Y34	Y34-E38 HydrophobicContact CD2-CB 4.05Å; Y34-E38 HydrophobicContact CD2-CG 3.54Å; Y34-E38 HydrophobicContact CE2-CB 3.85Å; Y34-E38 HydrophobicContact CE2-CG 3.63Å; Y34-E38 HydrophobicContact CG-CG 4.39Å; Y34-E38 WeakPolarHBondContact O-CB 3.36Å; Y34-E38 PolarHBondContact O-N 3.48Å
39	L	65.7	Low	68	Low	5 Å²	5	77.7 Å²	77.7	3%	0.026	38%	0.379	C	S	.	.	I	π-helix	trans	-83.4	-30.2	-173.6	-69.4	176.2	0	0	0	113.3	Y34 W35 V54 E56 L73 G75 C76 G77	Y34-L39 HydrophobicContact CD1-CD1 4.48Å; Y34-L39 HydrophobicContact CE1-CD1 3.95Å; Y34-L39 HydrophobicContact CE1-CG 4.09Å; W35-L39 PolarHBondContact O-N 2.7Å; L39-V54 HydrophobicContact CD2-CB 4.12Å; L39-V54 HydrophobicContact CD2-CG1 3.93Å; L39-E56 HydrophobicContact CD1-CG 4.15Å; L39-L73 HydrophobicContact CD1-CB 3.79Å; L39-L73 HydrophobicContact CD1-CD2 3.84Å; L39-L73 HydrophobicContact CD1-CG 4.48Å; L39-G75 CarbonylContact O-C 2.98Å; L39-C76 CarbonylContact O-C 3.5Å; L39-C76 WeakPolarHBondContact O-CA 3.49Å; L39-C76 PolarHBondContact O-N 2.94Å; L39-G77 PolarHBondContact O-N 3.25Å
40	C	71.3	Confident	67.5	Low	14 Å²	14	73.9 Å²	73.9	10%	0.095	37%	0.368	C	S	.	.	S	Bend	trans	-125.1	19.3	-172.4	-73.7	0	0	0	0	113.7	C16 W35 D42 A43	C16-C40 VanDerWaalsContact CA-SG 3.51Å; C16-C40 HydrophobicContact CB-CB 3.84Å; C16-C40 WeakPolarHBondContact CB-SG 3.39Å; C16-C40 WeakPolarHBondContact SG-CA 3.43Å; C16-C40 WeakPolarHBondContact SG-CB 3.28Å; C16-C40 CovalentContact SG-SG 2.02Å; C16-C40 PolarHBondContact SG-SG 3.25Å; W35-C40 HydrophobicContact CZ2-CB 4.01Å; W35-C40 WeakPolarHBondContact CZ2-SG 3.25Å; W35-C40 PolarHBondContact NE1-SG 2.77Å; W35-C40 PolarHBondContact O-N 2.8Å; C40-D42 PolarHBondContact O-N 3.05Å; C40-A43 HydrophobicContact CB-CB 4.4Å; C40-A43 PolarHBondContact O-N 3.47Å
41	K	69	Low	67	Low	153 Å²	153	76.9 Å²	76.9	67%	0.665	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-37.9	-178.6	-171.5	-178.1	174	-174.8	0	112.8	T37	T37-K41 WeakPolarHBondContact O-CB 3.33Å
42	D	66.8	Low	66.6	Low	45 Å²	45	81.3 Å²	81.3	24%	0.241	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.9	-174.6	-55.3	-40	0	0	0	113.1	C40 Q78	C40-D42 PolarHBondContact O-N 3.05Å; D42-Q78 WeakPolarHBondContact OD2-CG 3.45Å; D42-Q78 PolarHBondContact OD2-NE2 3.37Å
43	A	67.7	Low	66.3	Low	28 Å²	28	81.6 Å²	81.6	23%	0.231	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.9	177.5	0	0	0	0	0	111.5	C16 C40 V47	C16-A43 HydrophobicContact CB-CB 3.92Å; C16-A43 VanDerWaalsContact SG-CB 3.51Å; C40-A43 HydrophobicContact CB-CB 4.4Å; C40-A43 PolarHBondContact O-N 3.47Å; A43-V47 WeakPolarHBondContact CA-O 3.47Å
44	L	67	Low	66.1	Low	128 Å²	128	74.1 Å²	74.1	67%	0.67	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.2	171.2	-71.6	166.7	0	0	0	107.7	E46 V47	L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 3.35Å; L44-V47 PolarHBondContact N-O 2.81Å; L44-V47 WeakPolarHBondContact O-CA 3.47Å; L44-V47 PolarHBondContact O-N 2.98Å
45	D	70.4	Confident	65.9	Low	161 Å²	161	76.7 Å²	76.7	86%	0.861	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	44.4	-178.4	-62	-32.6	0	0	0	114.1	V47	D45-V47 PolarHBondContact O-N 2.91Å; D45-V47 VanDerWaalsContact O-N 3.08Å
46	E	65.8	Low	65.4	Low	149 Å²	149	75.4 Å²	75.4	70%	0.696	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	7.4	-176.2	-50.9	-175.7	162.7	0	0	114.9	C16 L44	C16-E46 WeakPolarHBondContact CB-O 2.82Å; C16-E46 PolarHBondContact N-O 3.33Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 3.35Å
47	V	65.2	Low	64.7	Low	49 Å²	49	73.7 Å²	73.7	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.6	176.2	-178.4	0	0	0	0	109.6	Q13 A43 L44 D45 S49	Q13-V47 HydrophobicContact CB-CG1 3.83Å; Q13-V47 HydrophobicContact CG-CG1 3.8Å; A43-V47 WeakPolarHBondContact CA-O 3.47Å; L44-V47 PolarHBondContact N-O 2.81Å; L44-V47 WeakPolarHBondContact O-CA 3.47Å; L44-V47 PolarHBondContact O-N 2.98Å; D45-V47 PolarHBondContact O-N 2.91Å; D45-V47 VanDerWaalsContact O-N 3.08Å; V47-S49 PolarHBondContact O-N 2.89Å
48	C	65.4	Low	64.4	Low	9 Å²	9	71 Å²	71	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.7	174.4	-74.5	0	0	0	0	112.1	C14 C16 C76	C14-C48 HydrophobicContact CB-CB 3.55Å; C14-C48 VanDerWaalsContact O-CB 3.28Å; C14-C48 WeakPolarHBondContact O-CB 3.45Å; C14-C48 PolarHBondContact O-N 3.34Å; C14-C48 PolarHBondContact O-SG 3.08Å; C14-C48 VanDerWaalsContact O-SG 3.39Å; C16-C48 PolarHBondContact SG-SG 3.26Å; C48-C76 WeakPolarHBondContact CA-SG 3.43Å; C48-C76 HydrophobicContact CB-CB 3.4Å; C48-C76 WeakPolarHBondContact CB-SG 3.41Å; C48-C76 WeakPolarHBondContact SG-CB 3.25Å; C48-C76 PolarHBondContact SG-N 3.33Å; C48-C76 VanDerWaalsContact SG-N 3.35Å; C48-C76 CovalentContact SG-SG 2.01Å; C48-C76 PolarHBondContact SG-SG 2.9Å
49	S	61.9	Low	64	Low	76 Å²	76	69.7 Å²	69.7	53%	0.531	38%	0.38	S	S	.	.	S	Bend	trans	-76.2	-15.3	170.6	70.2	0	0	0	0	112.8	V47	V47-S49 PolarHBondContact O-N 2.89Å
50	Q	61.7	Low	63.7	Low	78 Å²	78	74.1 Å²	74.1	36%	0.364	40%	0.404	S	S	.	.	S	Bend	trans	-95.4	146.9	-176.1	-61.6	-60.7	-28.1	0	0	111.7	T52 C76	Q50-T52 VanDerWaalsContact C-N 3.29Å; Q50-T52 PolarHBondContact O-N 3.35Å; Q50-C76 HydrophobicContact CB-CB 4.15Å
51	P	55.3	Low	62.9	Low	102 Å²	102	73.7 Å²	73.7	66%	0.662	40%	0.401	S	S	*	.	S	Bend	trans	-74.3	-18.8	-179.6	30.2	-35.2	0	0	0	113.4	C53	P51-C53 PolarHBondContact O-N 3.08Å
52	T	59.7	Low	62.3	Low	92 Å²	92	69.3 Å²	69.3	56%	0.564	39%	0.385	S	S	*	.			trans	-86.6	111.1	-175.8	-49.4	0	0	0	0	110.6	Q50	Q50-T52 VanDerWaalsContact C-N 3.29Å; Q50-T52 PolarHBondContact O-N 3.35Å
53	C	62.6	Low	61.8	Low	63 Å²	63	68.1 Å²	68.1	43%	0.426	38%	0.378	S	S	.	.			trans	-85.2	135.6	169.1	-84.3	0	0	0	0	111.8	C14 P51	C14-C53 WeakPolarHBondContact CA-SG 3.5Å; C14-C53 HydrophobicContact CB-CB 4.16Å; C14-C53 WeakPolarHBondContact CB-SG 3.12Å; C14-C53 WeakPolarHBondContact SG-CA 3.22Å; C14-C53 WeakPolarHBondContact SG-CB 3.39Å; C14-C53 CovalentContact SG-SG 2.02Å; C14-C53 PolarHBondContact SG-SG 3.07Å; P51-C53 PolarHBondContact O-N 3.08Å
54	V	65.1	Low	61.1	Low	20 Å²	20	70.2 Å²	70.2	12%	0.121	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.8	168.1	-177.2	0	0	0	0	108.1	L39 E56 Q74 G75	L39-V54 HydrophobicContact CD2-CB 4.12Å; L39-V54 HydrophobicContact CD2-CG1 3.93Å; V54-E56 HydrophobicContact CG1-CG 4.01Å; V54-Q74 CarbonylContact O-C 3.52Å; V54-Q74 WeakPolarHBondContact O-CA 3.5Å; V54-G75 PolarHBondContact N-O 2.82Å; V54-G75 PolarHBondContact O-N 3.3Å
55	Q	64.4	Low	60.9	Low	104 Å²	104	73.3 Å²	73.3	49%	0.486	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.3	167.7	176.3	169.4	-33.4	0	0	109.2	E57 T72 L73 Q74	Q55-E57 HydrophobicContact CG-CG 4.47Å; Q55-E57 PolarHBondContact NE2-OE1 2.9Å; Q55-T72 HydrophobicContact CG-CG2 4.14Å; Q55-L73 CarbonylContact C-O 3.29Å; Q55-L73 VanDerWaalsContact CA-O 3.25Å; Q55-L73 WeakPolarHBondContact CA-O 3.48Å; Q55-Q74 HydrophobicContact CB-CG 4.19Å; Q55-Q74 HydrophobicContact CG-CG 4.03Å
56	E	61.6	Low	60.5	Low	2 Å²	2	68 Å²	68	1%	0.009	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	174.3	-47.2	-170.9	164.1	0	0	110	Y34 L39 V54 Y58 T72 L73 V106	Y34-E56 VanDerWaalsContact CE1-OE2 3.28Å; Y34-E56 WeakPolarHBondContact CE1-OE2 3.38Å; Y34-E56 PolarHBondContact OH-OE1 2.82Å; L39-E56 HydrophobicContact CD1-CG 4.15Å; V54-E56 HydrophobicContact CG1-CG 4.01Å; E56-Y58 HydrophobicContact CB-CE2 3.8Å; E56-Y58 WeakPolarHBondContact OE2-CE2 3.28Å; E56-Y58 PolarHBondContact OE2-OH 2.8Å; E56-T72 CarbonylContact O-C 3.57Å; E56-T72 WeakPolarHBondContact O-CA 3.39Å; E56-L73 HydrophobicContact CB-CB 4.22Å; E56-L73 PolarHBondContact N-O 3.2Å; E56-L73 PolarHBondContact O-N 3.15Å; E56-V106 HydrophobicContact CB-CB 4.47Å; E56-V106 HydrophobicContact CB-CG1 3.71Å; E56-V106 HydrophobicContact CB-CG2 3.87Å; E56-V106 HydrophobicContact CG-CB 4.44Å; E56-V106 HydrophobicContact CG-CG1 3.42Å; E56-V106 VanDerWaalsContact CG-CG1 3.42Å; E56-V106 HydrophobicContact CG-CG2 4.2Å
57	E	59.1	Low	60.8	Low	99 Å²	99	62.8 Å²	62.8	46%	0.463	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.9	177.2	-68.9	-178.1	172.6	0	0	110.9	Q55 T72	Q55-E57 HydrophobicContact CG-CG 4.47Å; Q55-E57 PolarHBondContact NE2-OE1 2.9Å; E57-T72 HydrophobicContact CG-CG2 4.26Å
58	Y	61.1	Low	60.9	Low	5 Å²	5	66.9 Å²	66.9	2%	0.02	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.7	173.8	-59.9	-94.6	0	0	0	108.5	E56 N70 Y71 L73 L102 V106	E56-Y58 HydrophobicContact CB-CE2 3.8Å; E56-Y58 WeakPolarHBondContact OE2-CE2 3.28Å; E56-Y58 PolarHBondContact OE2-OH 2.8Å; Y58-N70 CarbonylContact O-C 3.51Å; Y58-N70 VanDerWaalsContact O-CA 3.25Å; Y58-N70 WeakPolarHBondContact O-CA 3.39Å; Y58-Y71 PolarHBondContact N-O 3.11Å; Y58-Y71 PolarHBondContact O-N 3.34Å; Y58-L73 HydrophobicContact CD2-CD1 3.33Å; Y58-L73 HydrophobicContact CE2-CD1 3.33Å; Y58-L73 HydrophobicContact CE2-CD2 3.9Å; Y58-L73 HydrophobicContact CE2-CG 4.2Å; Y58-L102 HydrophobicContact CD1-CD2 4.14Å; Y58-L102 HydrophobicContact CD1-CG 3.87Å; Y58-L102 HydrophobicContact CE1-CB 4.27Å; Y58-L102 HydrophobicContact CE1-CD2 3.46Å; Y58-L102 VanDerWaalsContact CE1-CD2 3.46Å; Y58-L102 HydrophobicContact CE1-CG 3.43Å; Y58-L102 VanDerWaalsContact CE1-CG 3.43Å; Y58-L102 WeakPolarHBondContact CE1-O 3.33Å; Y58-L102 HydrophobicContact CE2-CD2 4.29Å; Y58-V106 HydrophobicContact CD1-CG2 4.46Å; Y58-V106 HydrophobicContact CE1-CG2 3.58Å; Y58-V106 HydrophobicContact CE2-CG2 3.9Å; Y58-V106 WeakPolarHBondContact OH-CG2 3.35Å
59	V	56.7	Low	60.7	Low	81 Å²	81	66.5 Å²	66.5	49%	0.491	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.9	-179.2	-175.1	0	0	0	0	110.2	V61 N70	V59-V61 PolarHBondContact O-N 3.38Å; V59-N70 WeakPolarHBondContact CA-OD1 3.46Å
60	N	59	Low	61.1	Low	98 Å²	98	66.4 Å²	66.4	52%	0.524	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52	50.6	178.4	-65.3	-34.6	0	0	0	113	N62 F68 N70	N60-N62 PolarHBondContact O-N 2.92Å; N60-F68 HydrophobicContact CB-CD1 4.1Å; N60-N70 PolarHBondContact N-OD1 2.89Å
61	V	56.1	Low	61.3	Low	5 Å²	5	62.7 Å²	62.7	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	120.5	171.2	-176.2	0	0	0	0	108.8	E27 V59 F68 A69 Y71	E27-V61 HydrophobicContact CB-CG1 4.37Å; E27-V61 HydrophobicContact CG-CG1 4.28Å; V59-V61 PolarHBondContact O-N 3.38Å; V61-F68 CarbonylContact O-C 3.59Å; V61-F68 VanDerWaalsContact O-CA 3.28Å; V61-F68 WeakPolarHBondContact O-CA 3.34Å; V61-A69 WeakPolarHBondContact CB-O 2.99Å; V61-A69 PolarHBondContact N-O 3.06Å; V61-A69 PolarHBondContact O-N 2.97Å; V61-Y71 HydrophobicContact CB-CD2 4.3Å; V61-Y71 HydrophobicContact CB-CE2 3.74Å; V61-Y71 HydrophobicContact CG1-CE2 3.92Å; V61-Y71 HydrophobicContact CG2-CD2 3.77Å; V61-Y71 HydrophobicContact CG2-CE2 3.72Å
62	N	56.4	Low	62	Low	61 Å²	61	59.8 Å²	59.8	33%	0.326	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131	179.5	-167.9	2.4	0	0	0	110	N60 G67 F68 H93	N60-N62 PolarHBondContact O-N 2.92Å; N62-G67 PolarHBondContact OD1-O 3.23Å; N62-F68 HydrophobicContact CB-CD1 4.4Å; N62-F68 HydrophobicContact CB-CE1 4.28Å; N62-H93 PolarHBondContact O-CE1 2.99Å; N62-H93 PolarHBondContact O-ND1 2.82Å
63	L	55.1	Low	62.5	Low	20 Å²	20	55.4 Å²	55.4	11%	0.105	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-89.9	142.9	-178.6	-60.9	-179.8	0	0	0	110.8	E22 S25 E27 M65 G66 G67 A69 Y71	E22-L63 HydrophobicContact CB-CD1 4.2Å; E22-L63 HydrophobicContact CG-CD1 3.87Å; E22-L63 HydrophobicContact CG-CD2 4.36Å; S25-L63 WeakPolarHBondContact OG-CD2 3.48Å; E27-L63 HydrophobicContact CB-CD2 4.33Å; L63-M65 PolarHBondContact O-N 2.78Å; L63-G66 PolarHBondContact O-N 3.39Å; L63-G67 PolarHBondContact N-O 2.98Å; L63-A69 HydrophobicContact CD1-CB 4.25Å; L63-A69 HydrophobicContact CD2-CB 3.71Å; L63-A69 HydrophobicContact CG-CB 4.16Å; L63-Y71 WeakPolarHBondContact CD2-OH 3.4Å
64	T	54.2	Low	62.7	Low	73 Å²	73	54.9 Å²	54.9	45%	0.448	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.9	178.6	-66.1	0	0	0	0	113.3	I26 E27	I26-T64 HydrophobicContact CD1-CG2 4.44Å; E27-T64 WeakPolarHBondContact OE1-CB 3.41Å; E27-T64 PolarHBondContact OE1-N 2.02Å; E27-T64 PolarHBondContact OE1-OG1 2.82Å; E27-T64 PolarHBondContact OE2-N 3.39Å
65	M	61.3	Low	63	Low	192 Å²	192	53.9 Å²	53.9	95%	0.946	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	9.8	178.4	-64.5	-174.4	175.8	0	0	114.1	L63	L63-M65 PolarHBondContact O-N 2.78Å
66	G	62.7	Low	63	Low	49 Å²	49	49 Å²	49	51%	0.505	28%	0.275	S	S	.	.	S	Bend	trans	92.5	155	-175.2	0	0	0	0	0	113.3	L63	L63-G66 PolarHBondContact O-N 3.39Å
67	G	71.4	Confident	62.7	Low	41 Å²	41	49.9 Å²	49.9	42%	0.423	29%	0.285	S	S	.	.	S	Bend	trans	91.5	-178.4	-175.1	0	0	0	0	0	113.5	N62 L63	N62-G67 PolarHBondContact OD1-O 3.23Å; L63-G67 PolarHBondContact N-O 2.98Å
68	F	68.3	Low	62.1	Low	135 Å²	135	51 Å²	51	59%	0.592	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.1	-178	-60.6	-83.2	0	0	0	110.8	N60 V61 N62	N60-F68 HydrophobicContact CB-CD1 4.1Å; V61-F68 CarbonylContact O-C 3.59Å; V61-F68 VanDerWaalsContact O-CA 3.28Å; V61-F68 WeakPolarHBondContact O-CA 3.34Å; N62-F68 HydrophobicContact CB-CD1 4.4Å; N62-F68 HydrophobicContact CB-CE1 4.28Å
69	A	61.4	Low	61.1	Low	1 Å²	1	57.5 Å²	57.5	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.1	172.7	0	0	0	0	0	111.7	S21 E22 V61 L63 Y71	S21-A69 WeakPolarHBondContact OG-CA 3.16Å; S21-A69 WeakPolarHBondContact OG-CB 3.41Å; E22-A69 HydrophobicContact CB-CB 3.78Å; V61-A69 WeakPolarHBondContact CB-O 2.99Å; V61-A69 PolarHBondContact N-O 3.06Å; V61-A69 PolarHBondContact O-N 2.97Å; L63-A69 HydrophobicContact CD1-CB 4.25Å; L63-A69 HydrophobicContact CD2-CB 3.71Å; L63-A69 HydrophobicContact CG-CB 4.16Å; A69-Y71 HydrophobicContact CB-CE1 3.79Å; A69-Y71 HydrophobicContact CB-CE2 4.21Å; A69-Y71 WeakPolarHBondContact CB-OH 3.36Å
70	N	71	Confident	60.1	Low	73 Å²	73	57.9 Å²	57.9	39%	0.39	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.8	172	-63	-28.8	0	0	0	108.9	S21 Y58 V59 N60	S21-N70 PolarHBondContact N-O 3.44Å; S21-N70 PolarHBondContact OG-N 3.31Å; S21-N70 PolarHBondContact OG-O 3.3Å; Y58-N70 CarbonylContact O-C 3.51Å; Y58-N70 VanDerWaalsContact O-CA 3.25Å; Y58-N70 WeakPolarHBondContact O-CA 3.39Å; V59-N70 WeakPolarHBondContact CA-OD1 3.46Å; N60-N70 PolarHBondContact N-OD1 2.89Å
71	Y	65.4	Low	58.6	Low	1 Å²	1	60.4 Å²	60.4	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136	176.6	-44.9	-63.2	0	0	0	109.8	T19 M20 E22 S25 A28 V31 Y58 V61 L63 A69	T19-Y71 CarbonylContact O-C 3.5Å; T19-Y71 WeakPolarHBondContact O-CA 3.36Å; M20-Y71 HydrophobicContact CB-CD1 3.69Å; M20-Y71 HydrophobicContact CB-CE1 4.11Å; M20-Y71 HydrophobicContact CE-CD1 3.34Å; M20-Y71 HydrophobicContact CE-CE1 3.35Å; M20-Y71 HydrophobicContact CE-CG 4.21Å; M20-Y71 HydrophobicContact CG-CD1 3.81Å; M20-Y71 HydrophobicContact CG-CE1 4.46Å; M20-Y71 HydrophobicContact SD-CD1 4.47Å; E22-Y71 WeakPolarHBondContact O-CE1 3.13Å; S25-Y71 PolarHBondContact OG-OH 3.13Å; A28-Y71 HydrophobicContact CB-CE1 4.24Å; V31-Y71 HydrophobicContact CG1-CD2 4.39Å; V31-Y71 HydrophobicContact CG1-CG 4.24Å; V31-Y71 HydrophobicContact CG2-CD2 3.74Å; V31-Y71 HydrophobicContact CG2-CE2 3.82Å; V31-Y71 HydrophobicContact CG2-CG 4.33Å; Y58-Y71 PolarHBondContact N-O 3.11Å; Y58-Y71 PolarHBondContact O-N 3.34Å; V61-Y71 HydrophobicContact CB-CD2 4.3Å; V61-Y71 HydrophobicContact CB-CE2 3.74Å; V61-Y71 HydrophobicContact CG1-CE2 3.92Å; V61-Y71 HydrophobicContact CG2-CD2 3.77Å; V61-Y71 HydrophobicContact CG2-CE2 3.72Å; L63-Y71 WeakPolarHBondContact CD2-OH 3.4Å; A69-Y71 HydrophobicContact CB-CE1 3.79Å; A69-Y71 HydrophobicContact CB-CE2 4.21Å; A69-Y71 WeakPolarHBondContact CB-OH 3.36Å
72	T	70.2	Confident	57.1	Low	40 Å²	40	69.7 Å²	69.7	25%	0.245	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.2	169.7	-53.9	0	0	0	0	107.2	I18 T19 Q55 E56 E57	I18-T72 WeakPolarHBondContact CA-O 2.93Å; T19-T72 PolarHBondContact N-O 3.49Å; T19-T72 PolarHBondContact O-N 3.1Å; Q55-T72 HydrophobicContact CG-CG2 4.14Å; E56-T72 CarbonylContact O-C 3.57Å; E56-T72 WeakPolarHBondContact O-CA 3.39Å; E57-T72 HydrophobicContact CG-CG2 4.26Å
73	L	69.4	Low	55.7	Low	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	179.9	-64.1	67.2	0	0	0	107.5	I18 V31 Y34 W35 L39 Q55 E56 Y58	I18-L73 HydrophobicContact CD1-CG 4.24Å; I18-L73 HydrophobicContact CG1-CG 4.24Å; V31-L73 HydrophobicContact CG1-CD1 3.72Å; V31-L73 HydrophobicContact CG1-CD2 3.8Å; V31-L73 HydrophobicContact CG1-CG 4.03Å; Y34-L73 HydrophobicContact CD1-CD2 3.99Å; Y34-L73 HydrophobicContact CE1-CD2 4.32Å; W35-L73 HydrophobicContact CB-CD2 3.9Å; W35-L73 HydrophobicContact CB-CG 4.41Å; W35-L73 HydrophobicContact CG-CD2 4.47Å; L39-L73 HydrophobicContact CD1-CB 3.79Å; L39-L73 HydrophobicContact CD1-CD2 3.84Å; L39-L73 HydrophobicContact CD1-CG 4.48Å; Q55-L73 CarbonylContact C-O 3.29Å; Q55-L73 VanDerWaalsContact CA-O 3.25Å; Q55-L73 WeakPolarHBondContact CA-O 3.48Å; E56-L73 HydrophobicContact CB-CB 4.22Å; E56-L73 PolarHBondContact N-O 3.2Å; E56-L73 PolarHBondContact O-N 3.15Å; Y58-L73 HydrophobicContact CD2-CD1 3.33Å; Y58-L73 HydrophobicContact CE2-CD1 3.33Å; Y58-L73 HydrophobicContact CE2-CD2 3.9Å; Y58-L73 HydrophobicContact CE2-CG 4.2Å
74	Q	67.9	Low	54	Low	52 Å²	52	81.5 Å²	81.5	24%	0.243	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.5	174.9	-69.3	176.6	-17.5	0	0	108.3	C16 K17 W35 V54 Q55	C16-Q74 WeakPolarHBondContact CA-O 3.44Å; K17-Q74 PolarHBondContact N-O 3.16Å; K17-Q74 PolarHBondContact O-N 3.4Å; K17-Q74 VanDerWaalsContact O-O 3.13Å; W35-Q74 PolarHBondContact NE1-O 2.02Å; V54-Q74 CarbonylContact O-C 3.52Å; V54-Q74 WeakPolarHBondContact O-CA 3.5Å; Q55-Q74 HydrophobicContact CB-CG 4.19Å; Q55-Q74 HydrophobicContact CG-CG 4.03Å
75	G	71	Confident	52.5	Low	0 Å²	0	82.8 Å²	82.8	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	-168.2	-179.6	0	0	0	0	0	114.3	L39 V54	L39-G75 CarbonylContact O-C 2.98Å; V54-G75 PolarHBondContact N-O 2.82Å; V54-G75 PolarHBondContact O-N 3.3Å
76	C	64.5	Low	50.7	Low	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.409	C	S	.	.			trans	-134.3	92.3	-178	45	0	0	0	0	111.2	L39 C48 Q50	L39-C76 CarbonylContact O-C 3.5Å; L39-C76 WeakPolarHBondContact O-CA 3.49Å; L39-C76 PolarHBondContact O-N 2.94Å; C48-C76 WeakPolarHBondContact CA-SG 3.43Å; C48-C76 HydrophobicContact CB-CB 3.4Å; C48-C76 WeakPolarHBondContact CB-SG 3.41Å; C48-C76 WeakPolarHBondContact SG-CB 3.25Å; C48-C76 PolarHBondContact SG-N 3.33Å; C48-C76 VanDerWaalsContact SG-N 3.35Å; C48-C76 CovalentContact SG-SG 2.01Å; C48-C76 PolarHBondContact SG-SG 2.9Å; Q50-C76 HydrophobicContact CB-CB 4.15Å
77	G	55.1	Low	49.2	Very low	21 Å²	21	79.4 Å²	79.4	22%	0.216	40%	0.403	C	S	.	.			trans	-87.6	138.9	172.9	0	0	0	0	0	112.2	L39 N79	L39-G77 PolarHBondContact O-N 3.25Å; G77-N79 VanDerWaalsContact C-N 3.33Å; G77-N79 PolarHBondContact O-N 3.4Å
78	Q	45.9	Very low	47.2	Very low	122 Å²	122	80 Å²	80	57%	0.57	40%	0.399	S	S	*	.	S	Bend	trans	-70.5	-18.3	178.8	-95.4	-179.2	19	0	0	115.2	D42	D42-Q78 WeakPolarHBondContact OD2-CG 3.45Å; D42-Q78 PolarHBondContact OD2-NE2 3.37Å
79	N	39.9	Very low	45.2	Very low	143 Å²	143	78.2 Å²	78.2	77%	0.765	40%	0.395	S	S	*	.			trans	-136.5	62.4	-163.2	-71	-40.4	0	0	0	114.1	G77	G77-N79 VanDerWaalsContact C-N 3.33Å; G77-N79 PolarHBondContact O-N 3.4Å
80	Q	35.9	Very low	43.5	Very low	89 Å²	89	82.8 Å²	82.8	42%	0.416	43%	0.427	S	S	.	.			trans	-100.2	69	155.6	-71.5	-168.2	-7	0	0	109.1	R82 H107	Q80-R82 PolarHBondContact O-N 2.96Å; Q80-H107 PolarHBondContact NE2-CE1 2.74Å; Q80-H107 PolarHBondContact NE2-NE2 3.3Å
81	L	27.2	Very low	41.4	Very low	151 Å²	151	81 Å²	81	79%	0.791	42%	0.418	S	S	*	.			trans	-54.5	104.8	146.4	-92.8	161.4	0	0	0	105.2	Y83	L81-Y83 WeakPolarHBondContact O-CD2 3.46Å; L81-Y83 PolarHBondContact O-N 2.64Å
82	R	25	Very low	39.4	Very low	200 Å²	200	88.6 Å²	88.6	76%	0.755	45%	0.451	S	S	*	.			trans	-24.5	94.7	163.3	-77.8	170.5	169.9	-160.3	8	111.1	Q80 E84	Q80-R82 PolarHBondContact O-N 2.96Å; R82-E84 HydrophobicContact CB-CG 4.15Å; R82-E84 WeakPolarHBondContact CD-OE1 3.21Å; R82-E84 IonicContact CZ-OE1 3.47Å; R82-E84 IonicContact NE-OE1 3.64Å; R82-E84 IonicContact NH1-OE1 2.8Å; R82-E84 PolarHBondContact NH1-OE1 3.47Å; R82-E84 PolarHBondContact O-N 2.79Å
83	Y	26.3	Very low	37.3	Very low	206 Å²	206	89.5 Å²	89.5	81%	0.808	45%	0.453	S	S	*	.			trans	-78.5	75.5	147.3	-70.8	-80	0	0	0	105.2	L81 C85	L81-Y83 WeakPolarHBondContact O-CD2 3.46Å; L81-Y83 PolarHBondContact O-N 2.64Å; Y83-C85 PolarHBondContact O-N 2.77Å
84	E	20.4	Very low	35.2	Very low	123 Å²	123	96.7 Å²	96.7	58%	0.575	48%	0.481	S	S	*	.			trans	-55.2	118.7	153.4	-79	167.2	-172.5	0	0	105.2	R82	R82-E84 HydrophobicContact CB-CG 4.15Å; R82-E84 WeakPolarHBondContact CD-OE1 3.21Å; R82-E84 IonicContact CZ-OE1 3.47Å; R82-E84 IonicContact NE-OE1 3.64Å; R82-E84 IonicContact NH1-OE1 2.8Å; R82-E84 PolarHBondContact NH1-OE1 3.47Å; R82-E84 PolarHBondContact O-N 2.79Å
85	C	21.4	Very low	33.2	Very low	100 Å²	100	102.2 Å²	102.2	68%	0.676	51%	0.511	S	S	*	.			trans	77.5	127.6	-174.6	-47.8	0	0	0	0	113.3	Y83	Y83-C85 PolarHBondContact O-N 2.77Å
86	S	24.9	Very low	31.1	Very low	88 Å²	88	104 Å²	104	62%	0.615	53%	0.53	S	S	*	.			cis	-171.6	137.2	49.2	-33.2	0	0	0	0	108.7
87	E	31.6	Very low	29.4	Very low	81 Å²	81	104.3 Å²	104.3	38%	0.379	53%	0.532	S	S	.	.			trans	56	103.8	133.6	-57.1	-179.5	178	0	0	119.5	M118	E87-M118 HydrophobicContact CB-CE 3.58Å; E87-M118 HydrophobicContact CB-SD 4.49Å; E87-M118 HydrophobicContact CG-CE 3.41Å; E87-M118 VanDerWaalsContact CG-CE 3.41Å; E87-M118 HydrophobicContact CG-CG 3.79Å; E87-M118 HydrophobicContact CG-SD 3.71Å; E87-M118 VanDerWaalsContact OE1-CG 3.27Å; E87-M118 WeakPolarHBondContact OE1-CG 3.47Å; E87-M118 WeakPolarHBondContact OE2-CE 3.21Å; E87-M118 VanDerWaalsContact OE2-SD 3.38Å
88	V	28.3	Very low	28.1	Very low	54 Å²	54	104.3 Å²	104.3	33%	0.327	53%	0.529	S	S	.	.			trans	-114	105.7	177.1	171.1	0	0	0	0	110.1	S90 F104 R105	V88-S90 PolarHBondContact O-N 2.85Å; V88-F104 HydrophobicContact CB-CB 4.14Å; V88-F104 HydrophobicContact CG1-CB 3.5Å; V88-F104 VanDerWaalsContact CG2-C 3.49Å; V88-F104 HydrophobicContact CG2-CB 3.75Å; V88-F104 HydrophobicContact CG2-CD1 3.93Å; V88-F104 HydrophobicContact CG2-CG 4.35Å; V88-F104 WeakPolarHBondContact CG2-O 3.32Å; V88-R105 HydrophobicContact CG1-CG 4.44Å
89	L	25.9	Very low	27.3	Very low	98 Å²	98	106.1 Å²	106.1	51%	0.513	54%	0.535	S	S	.	.			trans	-46.8	126.1	164	-89	125.8	0	0	0	110.3	V91 L135	L89-V91 HydrophobicContact CB-CG2 3.94Å; L89-V91 PolarHBondContact O-N 3.39Å; L89-L135 HydrophobicContact CD1-CD2 3.85Å
90	S	26.7	Very low	26.8	Very low	96 Å²	96	100.4 Å²	100.4	67%	0.671	51%	0.505	S	S	*	.			trans	-61.5	76.7	154.8	157.4	0	0	0	0	108.4	V88 K92	V88-S90 PolarHBondContact O-N 2.85Å; S90-K92 VanDerWaalsContact C-N 3.33Å; S90-K92 PolarHBondContact O-N 3.46Å
91	V	25.9	Very low	26.6	Very low	35 Å²	35	96.8 Å²	96.8	21%	0.212	49%	0.489	C	S	.	.			trans	-69.4	98.6	166.9	179.9	0	0	0	0	106.2	L89 H93 V139	L89-V91 HydrophobicContact CB-CG2 3.94Å; L89-V91 PolarHBondContact O-N 3.39Å; V91-H93 PolarHBondContact O-N 2.82Å; V91-V139 HydrophobicContact CG1-CG1 3.66Å
92	K	24.5	Very low	26.6	Very low	162 Å²	162	90.5 Å²	90.5	70%	0.704	46%	0.456	S	S	*	.			trans	-52	126.9	166	-76.3	178.1	176.1	175.2	0	107.5	S90 Y94	S90-K92 VanDerWaalsContact C-N 3.33Å; S90-K92 PolarHBondContact O-N 3.46Å; K92-Y94 PolarHBondContact O-N 2.87Å
93	H	26.6	Very low	26.8	Very low	58 Å²	58	87.8 Å²	87.8	27%	0.269	45%	0.447	S	S	.	.			trans	-49.7	100.4	174.9	-87.8	-125.6	0	0	0	109.9	N62 V91	N62-H93 PolarHBondContact O-CE1 2.99Å; N62-H93 PolarHBondContact O-ND1 2.82Å; V91-H93 PolarHBondContact O-N 2.82Å
94	Y	23.4	Very low	26.9	Very low	151 Å²	151	81.4 Å²	81.4	59%	0.592	42%	0.424	S	S	*	.			trans	-90.2	133.2	155.3	-81.8	-85	0	0	0	106.9	K92 G96 S97	K92-Y94 PolarHBondContact O-N 2.87Å; Y94-G96 PolarHBondContact O-N 3.16Å; Y94-S97 PolarHBondContact O-N 3.42Å
95	L	26.3	Very low	27.3	Very low	169 Å²	169	81.1 Å²	81.1	89%	0.885	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.5	94.1	174.9	-76.1	149.4	0	0	0	110.9
96	G	27	Very low	27.7	Very low	38 Å²	38	77.8 Å²	77.8	39%	0.392	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.4	-32	-176.5	0	0	0	0	0	115.6	Y94 S98	Y94-G96 PolarHBondContact O-N 3.16Å; G96-S98 PolarHBondContact O-N 2.81Å
97	S	29.1	Very low	27.8	Very low	5 Å²	5	78.9 Å²	78.9	4%	0.035	39%	0.389	C	S	.	.			trans	-93	22.2	-166.3	79.1	0	0	0	0	117	Y94 K99 V100	Y94-S97 PolarHBondContact O-N 3.42Å; S97-K99 PolarHBondContact O-N 3.48Å; S97-V100 PolarHBondContact O-N 3.07Å; S97-V100 VanDerWaalsContact O-N 3.1Å
98	S	28.6	Very low	27.6	Very low	22 Å²	22	79.5 Å²	79.5	15%	0.154	40%	0.401	C	S	.	.	H	α-helix	trans	-58.6	-15.7	178.2	54.3	0	0	0	0	114.1	G96	G96-S98 PolarHBondContact O-N 2.81Å
99	K	28.7	Very low	27.5	Very low	160 Å²	160	85.6 Å²	85.6	70%	0.696	42%	0.423	S	S	*	.	H	α-helix	trans	-76.8	-28.3	177.5	-67.3	178	-177.6	167.5	0	114.2	S97	S97-K99 PolarHBondContact O-N 3.48Å
100	V	29.6	Very low	27.6	Very low	23 Å²	23	90 Å²	90	14%	0.139	44%	0.442	C	S	.	.	H	α-helix	trans	-94	-34.8	-174.2	-172.4	0	0	0	0	111	S97 L102 F104 V148	S97-V100 PolarHBondContact O-N 3.07Å; S97-V100 VanDerWaalsContact O-N 3.1Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 2.8Å; V100-F104 HydrophobicContact CG1-CD2 4.01Å; V100-F104 HydrophobicContact CG1-CE2 3.86Å; V100-F104 WeakPolarHBondContact O-CD2 3.43Å; V100-V148 HydrophobicContact CG1-CG1 4.24Å; V100-V148 HydrophobicContact CG2-CG1 4.46Å
101	S	30.2	Very low	27.5	Very low	13 Å²	13	93.6 Å²	93.6	9%	0.091	45%	0.447	C	S	.	.	H	α-helix	trans	-68.9	-25.6	-175.9	73.5	0	0	0	0	114.2
102	L	28.3	Very low	27.6	Very low	18 Å²	18	96.7 Å²	96.7	9%	0.094	49%	0.486	C	S	.	.	H	α-helix	trans	-79.8	-43.1	-172.5	-130.1	118.2	0	0	0	112	V31 Y58 V100 F104	V31-L102 HydrophobicContact CB-CD2 4.35Å; V31-L102 HydrophobicContact CG1-CD2 4.49Å; V31-L102 HydrophobicContact CG2-CD1 3.62Å; V31-L102 HydrophobicContact CG2-CD2 3.67Å; V31-L102 HydrophobicContact CG2-CG 4.27Å; Y58-L102 HydrophobicContact CD1-CD2 4.14Å; Y58-L102 HydrophobicContact CD1-CG 3.87Å; Y58-L102 HydrophobicContact CE1-CB 4.27Å; Y58-L102 HydrophobicContact CE1-CD2 3.46Å; Y58-L102 VanDerWaalsContact CE1-CD2 3.46Å; Y58-L102 HydrophobicContact CE1-CG 3.43Å; Y58-L102 VanDerWaalsContact CE1-CG 3.43Å; Y58-L102 WeakPolarHBondContact CE1-O 3.33Å; Y58-L102 HydrophobicContact CE2-CD2 4.29Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 2.8Å; L102-F104 PolarHBondContact O-N 3.18Å
103	Y	29.3	Very low	27.6	Very low	144 Å²	144	91.5 Å²	91.5	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-63.4	-28.4	179.5	-158.8	-93.9	0	0	0	112.8	Y34	Y34-Y103 HydrophobicContact CE2-CD2 4.29Å; Y34-Y103 HydrophobicContact CE2-CE2 4.27Å
104	F	27.9	Very low	27.6	Very low	71 Å²	71	93.1 Å²	93.1	31%	0.311	50%	0.496	S	S	.	.	H	α-helix	trans	-89.1	-37.1	-171.4	-84.4	-89	0	0	0	112.5	V88 V100 L102 V106	V88-F104 HydrophobicContact CB-CB 4.14Å; V88-F104 HydrophobicContact CG1-CB 3.5Å; V88-F104 VanDerWaalsContact CG2-C 3.49Å; V88-F104 HydrophobicContact CG2-CB 3.75Å; V88-F104 HydrophobicContact CG2-CD1 3.93Å; V88-F104 HydrophobicContact CG2-CG 4.35Å; V88-F104 WeakPolarHBondContact CG2-O 3.32Å; V100-F104 HydrophobicContact CG1-CD2 4.01Å; V100-F104 HydrophobicContact CG1-CE2 3.86Å; V100-F104 WeakPolarHBondContact O-CD2 3.43Å; L102-F104 PolarHBondContact O-N 3.18Å; F104-V106 VanDerWaalsContact C-N 3.31Å; F104-V106 PolarHBondContact O-N 3.03Å; F104-V106 VanDerWaalsContact O-N 3.12Å
105	R	29.6	Very low	27.8	Very low	117 Å²	117	94.8 Å²	94.8	44%	0.442	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-19.7	-169.4	-86.5	-175.3	178.6	-172.8	1.4	116.9	V88	V88-R105 HydrophobicContact CG1-CG 4.44Å
106	V	28.4	Very low	27.7	Very low	31 Å²	31	92.1 Å²	92.1	19%	0.188	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-23.3	-165.9	172.9	0	0	0	0	114.2	E56 Y58 F104 C108	E56-V106 HydrophobicContact CB-CB 4.47Å; E56-V106 HydrophobicContact CB-CG1 3.71Å; E56-V106 HydrophobicContact CB-CG2 3.87Å; E56-V106 HydrophobicContact CG-CB 4.44Å; E56-V106 HydrophobicContact CG-CG1 3.42Å; E56-V106 VanDerWaalsContact CG-CG1 3.42Å; E56-V106 HydrophobicContact CG-CG2 4.2Å; Y58-V106 HydrophobicContact CD1-CG2 4.46Å; Y58-V106 HydrophobicContact CE1-CG2 3.58Å; Y58-V106 HydrophobicContact CE2-CG2 3.9Å; Y58-V106 WeakPolarHBondContact OH-CG2 3.35Å; F104-V106 VanDerWaalsContact C-N 3.31Å; F104-V106 PolarHBondContact O-N 3.03Å; F104-V106 VanDerWaalsContact O-N 3.12Å; V106-C108 PolarHBondContact O-N 2.91Å
107	H	27	Very low	27.6	Very low	110 Å²	110	92.8 Å²	92.8	51%	0.509	51%	0.506	S	S	.	.	S	Bend	trans	-92.4	10.7	-160.4	-96.3	-52.6	0	0	0	118.5	Q80	Q80-H107 PolarHBondContact NE2-CE1 2.74Å; Q80-H107 PolarHBondContact NE2-NE2 3.3Å
108	C	28.2	Very low	27.5	Very low	94 Å²	94	95 Å²	95	64%	0.635	52%	0.517	S	S	*	.			trans	-124.6	21.2	-167.6	-77.1	0	0	0	0	117.9	V106	V106-C108 PolarHBondContact O-N 2.91Å
109	K	26.8	Very low	27.3	Very low	183 Å²	183	104.1 Å²	104.1	80%	0.796	55%	0.548	S	S	*	.	S	Bend	trans	-90.9	-7.8	-175.2	-132.3	-175.4	-177.9	-176.4	0	117.1
110	E	27.9	Very low	27.1	Very low	191 Å²	191	99.2 Å²	99.2	89%	0.893	54%	0.537	S	S	*	.	S	Bend	trans	-117.3	0.1	-169.5	-80.7	-164.2	161.4	0	0	118.5
111	Q	24.8	Very low	26.9	Very low	170 Å²	170	104.2 Å²	104.2	79%	0.794	56%	0.562	S	S	*	*			trans	-125.3	98.2	171.8	-64.1	-156	5.7	0	0	110.4	G113	Q111-G113 PolarHBondContact O-N 2.93Å
112	G	26.7	Very low	26.8	Very low	100 Å²	100	106.1 Å²	106.1	100%	1.031	58%	0.579	S	S	*	*			trans	-63	57.7	178.5	0	0	0	0	0	114.4
113	G	25.2	Very low	26.6	Very low	54 Å²	54	113.7 Å²	113.7	56%	0.557	61%	0.608	S	S	*	*			trans	-170.1	108.7	175.3	0	0	0	0	0	109.6	Q111	Q111-G113 PolarHBondContact O-N 2.93Å
114	C	27.4	Very low	26.4	Very low	91 Å²	91	107.6 Å²	107.6	62%	0.615	59%	0.589	S	S	*	*			trans	179.1	16.2	151.4	-92.6	0	0	0	0	112.6	S116	C114-S116 VanDerWaalsContact C-N 3.26Å; C114-S116 PolarHBondContact O-N 3.25Å
115	E	26.7	Very low	26.3	Very low	187 Å²	187	112 Å²	112	87%	0.874	62%	0.615	S	S	*	*	H	α-helix	trans	-65.5	-31.8	176.5	-157.5	178.7	-168.5	0	0	111.9
116	S	24.1	Very low	26.3	Very low	112 Å²	112	110.7 Å²	110.7	78%	0.783	62%	0.62	S	S	*	*	H	α-helix	trans	-79.8	-31.4	-174	48.9	0	0	0	0	114.8	C114 M118	C114-S116 VanDerWaalsContact C-N 3.26Å; C114-S116 PolarHBondContact O-N 3.25Å; S116-M118 VanDerWaalsContact C-N 3.31Å
117	A	24.7	Very low	26.1	Very low	52 Å²	52	115 Å²	115	43%	0.43	65%	0.649	S	S	.	*	H	α-helix	trans	-75.8	-21	177.8	0	0	0	0	0	112.6	A120 L121	A117-A120 CarbonylContact O-C 3.53Å; A117-A120 WeakPolarHBondContact O-CA 3.18Å; A117-A120 WeakPolarHBondContact O-CB 3.4Å; A117-A120 PolarHBondContact O-N 2.88Å; A117-L121 PolarHBondContact O-N 3.21Å
118	M	28.3	Very low	26.4	Very low	53 Å²	53	113.9 Å²	113.9	26%	0.261	67%	0.667	S	S	.	*	H	α-helix	trans	-84.4	-24	-172.8	-104.8	-65.7	-114.5	0	0	115.2	E87 S116 A120 L121 A122 Y123	E87-M118 HydrophobicContact CB-CE 3.58Å; E87-M118 HydrophobicContact CB-SD 4.49Å; E87-M118 HydrophobicContact CG-CE 3.41Å; E87-M118 VanDerWaalsContact CG-CE 3.41Å; E87-M118 HydrophobicContact CG-CG 3.79Å; E87-M118 HydrophobicContact CG-SD 3.71Å; E87-M118 VanDerWaalsContact OE1-CG 3.27Å; E87-M118 WeakPolarHBondContact OE1-CG 3.47Å; E87-M118 WeakPolarHBondContact OE2-CE 3.21Å; E87-M118 VanDerWaalsContact OE2-SD 3.38Å; S116-M118 VanDerWaalsContact C-N 3.31Å; M118-A120 PolarHBondContact O-N 3.39Å; M118-L121 PolarHBondContact O-N 3.27Å; M118-L121 HydrophobicContact SD-CB 4.15Å; M118-A122 HydrophobicContact CE-CB 3.47Å; M118-A122 VanDerWaalsContact CE-CB 3.47Å; M118-A122 PolarHBondContact O-N 3.12Å; M118-A122 VanDerWaalsContact O-N 3.1Å; M118-A122 HydrophobicContact SD-CB 3.43Å; M118-A122 WeakPolarHBondContact SD-CB 2.88Å; M118-A122 PolarHBondContact SD-N 3.39Å; M118-Y123 PolarHBondContact O-N 3.21Å
119	R	24.6	Very low	26.6	Very low	213 Å²	213	112.8 Å²	112.8	80%	0.804	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-8.3	160.4	-102.7	-173.1	-179.8	-172.7	1.6	112.5	Y123	R119-Y123 HydrophobicContact CG-CD2 4.33Å; R119-Y123 CarbonylContact O-C 3.35Å; R119-Y123 VanDerWaalsContact O-CB 3.22Å; R119-Y123 WeakPolarHBondContact O-CB 3.44Å
120	A	23.8	Very low	27	Very low	56 Å²	56	106.2 Å²	106.2	46%	0.463	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.6	4	176.3	0	0	0	0	0	114.7	A117 M118 G124	A117-A120 CarbonylContact O-C 3.53Å; A117-A120 WeakPolarHBondContact O-CA 3.18Å; A117-A120 WeakPolarHBondContact O-CB 3.4Å; A117-A120 PolarHBondContact O-N 2.88Å; M118-A120 PolarHBondContact O-N 3.39Å; A120-G124 WeakPolarHBondContact O-CA 3.41Å; A120-G124 PolarHBondContact O-N 3.1Å
121	L	25.5	Very low	27.6	Very low	128 Å²	128	104.4 Å²	104.4	67%	0.67	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	-47.4	173.4	-82.6	164.5	0	0	0	112.9	A117 M118 Y123	A117-L121 PolarHBondContact O-N 3.21Å; M118-L121 PolarHBondContact O-N 3.27Å; M118-L121 HydrophobicContact SD-CB 4.15Å; L121-Y123 VanDerWaalsContact C-N 3.28Å
122	A	26.8	Very low	28.3	Very low	54 Å²	54	100.1 Å²	100.1	45%	0.446	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-27.9	164.2	0	0	0	0	0	112.4	M118	M118-A122 HydrophobicContact CE-CB 3.47Å; M118-A122 VanDerWaalsContact CE-CB 3.47Å; M118-A122 PolarHBondContact O-N 3.12Å; M118-A122 VanDerWaalsContact O-N 3.1Å; M118-A122 HydrophobicContact SD-CB 3.43Å; M118-A122 WeakPolarHBondContact SD-CB 2.88Å; M118-A122 PolarHBondContact SD-N 3.39Å
123	Y	25	Very low	29.2	Very low	177 Å²	177	102.3 Å²	102.3	69%	0.694	59%	0.593	S	S	*	*	S	Bend	trans	-121.4	22.2	170.6	-59.2	-90.8	0	0	0	111.7	M118 R119 L121 D125	M118-Y123 PolarHBondContact O-N 3.21Å; R119-Y123 HydrophobicContact CG-CD2 4.33Å; R119-Y123 CarbonylContact O-C 3.35Å; R119-Y123 VanDerWaalsContact O-CB 3.22Å; R119-Y123 WeakPolarHBondContact O-CB 3.44Å; L121-Y123 VanDerWaalsContact C-N 3.28Å; Y123-D125 PolarHBondContact O-N 3.31Å; Y123-D125 VanDerWaalsContact O-N 3.13Å
124	G	24.6	Very low	30.1	Very low	16 Å²	16	102.6 Å²	102.6	17%	0.165	58%	0.582	C	S	.	*			trans	-41.8	131.9	170.8	0	0	0	0	0	108.4	A120 V126	A120-G124 WeakPolarHBondContact O-CA 3.41Å; A120-G124 PolarHBondContact O-N 3.1Å; G124-V126 WeakPolarHBondContact O-CG2 3.4Å; G124-V126 PolarHBondContact O-N 2.97Å
125	D	26.7	Very low	30.9	Very low	163 Å²	163	99.8 Å²	99.8	87%	0.872	56%	0.56	S	S	*	*	S	Bend	trans	-57.9	61.6	-175.9	-74.8	-52.1	0	0	0	110.6	Y123 P127	Y123-D125 PolarHBondContact O-N 3.31Å; Y123-D125 VanDerWaalsContact O-N 3.13Å; D125-P127 VanDerWaalsContact C-CD 3.49Å; D125-P127 VanDerWaalsContact O-CD 3.27Å; D125-P127 WeakPolarHBondContact O-CD 3.28Å
126	V	28.8	Very low	31.7	Very low	89 Å²	89	96 Å²	96	54%	0.539	54%	0.543	S	S	.	.			trans	-116.4	80.6	178.2	-153.2	0	0	0	0	103	G124 G128 T129	G124-V126 WeakPolarHBondContact O-CG2 3.4Å; G124-V126 PolarHBondContact O-N 2.97Å; V126-G128 PolarHBondContact O-N 2.77Å; V126-T129 HydrophobicContact CB-CG2 4.22Å; V126-T129 HydrophobicContact CG1-CG2 3.38Å
127	P	25.7	Very low	32.7	Very low	122 Å²	122	92.4 Å²	92.4	79%	0.792	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	118.2	-173.7	18.1	-30.2	0	0	0	110	D125 T129	D125-P127 VanDerWaalsContact C-CD 3.49Å; D125-P127 VanDerWaalsContact O-CD 3.27Å; D125-P127 WeakPolarHBondContact O-CD 3.28Å; P127-T129 PolarHBondContact O-N 2.96Å
128	G	32.5	Very low	33.7	Very low	86 Å²	86	90 Å²	90	89%	0.887	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	25.2	162.2	0	0	0	0	0	118.2	V126 G130	V126-G128 PolarHBondContact O-N 2.77Å; G128-G130 PolarHBondContact O-N 2.55Å
129	T	32.6	Very low	34.5	Very low	72 Å²	72	88 Å²	88	44%	0.442	49%	0.487	S	S	.	.			trans	-78.1	125.4	-175.7	62.9	0	0	0	0	113	V126 P127 R131	V126-T129 HydrophobicContact CB-CG2 4.22Å; V126-T129 HydrophobicContact CG1-CG2 3.38Å; P127-T129 PolarHBondContact O-N 2.96Å; T129-R131 PolarHBondContact O-N 3.5Å
130	G	34.3	Very low	35.3	Very low	45 Å²	45	80 Å²	80	46%	0.464	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	4.8	-175.2	0	0	0	0	0	117.5	G128 K133 D134	G128-G130 PolarHBondContact O-N 2.55Å; G130-K133 VanDerWaalsContact O-CB 3.28Å; G130-K133 WeakPolarHBondContact O-CB 3.32Å; G130-K133 PolarHBondContact O-N 3.02Å; G130-D134 PolarHBondContact O-N 3.43Å
131	R	40.3	Very low	36.2	Very low	153 Å²	153	77.5 Å²	77.5	58%	0.577	44%	0.442	S	S	*	.	H	α-helix	trans	-74.6	-36.2	-174.6	-80.8	178	165.7	-173.4	-15.1	115.1	T129 K133 D134 L135 N154	T129-R131 PolarHBondContact O-N 3.5Å; R131-K133 PolarHBondContact O-N 3Å; R131-D134 WeakPolarHBondContact O-CB 3.25Å; R131-D134 PolarHBondContact O-N 3.41Å; R131-D134 VanDerWaalsContact O-N 3.1Å; R131-L135 PolarHBondContact O-N 3.18Å; R131-N154 PolarHBondContact NH1-OD1 2.95Å; R131-N154 PolarHBondContact NH2-OD1 2.81Å
132	V	41.1	Very low	37	Very low	79 Å²	79	76 Å²	76	48%	0.479	44%	0.435	S	S	.	.	H	α-helix	trans	-58.8	-42	171.7	175.9	0	0	0	0	109	D134 L135 E136	V132-D134 VanDerWaalsContact C-N 3.34Å; V132-D134 PolarHBondContact O-N 3.07Å; V132-L135 PolarHBondContact O-N 2.8Å; V132-E136 HydrophobicContact CG1-CG 4.3Å; V132-E136 WeakPolarHBondContact O-CB 3.11Å; V132-E136 VanDerWaalsContact O-CG 3.31Å; V132-E136 WeakPolarHBondContact O-CG 3.22Å; V132-E136 PolarHBondContact O-N 3.37Å
133	K	44.4	Very low	37.8	Very low	147 Å²	147	74.1 Å²	74.1	64%	0.639	42%	0.418	S	S	*	.	H	α-helix	trans	-62.5	-41.2	175.2	-158.4	177.8	-177.8	-179.7	0	111.3	G130 R131 T137	G130-K133 VanDerWaalsContact O-CB 3.28Å; G130-K133 WeakPolarHBondContact O-CB 3.32Å; G130-K133 PolarHBondContact O-N 3.02Å; R131-K133 PolarHBondContact O-N 3Å; K133-T137 VanDerWaalsContact O-CB 3.25Å; K133-T137 WeakPolarHBondContact O-CB 3.39Å; K133-T137 PolarHBondContact O-N 2.76Å; K133-T137 PolarHBondContact O-OG1 2.68Å
134	D	44.6	Very low	38.7	Very low	60 Å²	60	69.8 Å²	69.8	32%	0.321	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.8	-65.6	-31.4	0	0	0	112.5	G130 R131 V132 T137 A138	G130-D134 PolarHBondContact O-N 3.43Å; R131-D134 WeakPolarHBondContact O-CB 3.25Å; R131-D134 PolarHBondContact O-N 3.41Å; R131-D134 VanDerWaalsContact O-N 3.1Å; V132-D134 VanDerWaalsContact C-N 3.34Å; V132-D134 PolarHBondContact O-N 3.07Å; D134-T137 PolarHBondContact O-N 2.91Å; D134-A138 VanDerWaalsContact O-CB 3.27Å; D134-A138 WeakPolarHBondContact O-CB 3.33Å; D134-A138 PolarHBondContact O-N 3.02Å
135	L	44	Very low	39.6	Very low	32 Å²	32	74 Å²	74	17%	0.168	42%	0.421	C	S	.	.	H	α-helix	trans	-68.1	-48.1	177.7	-173.1	69.3	0	0	0	111.6	L89 R131 V132 T137 A138 V139 V148 L151 A152	L89-L135 HydrophobicContact CD1-CD2 3.85Å; R131-L135 PolarHBondContact O-N 3.18Å; V132-L135 PolarHBondContact O-N 2.8Å; L135-T137 PolarHBondContact O-N 3.2Å; L135-A138 PolarHBondContact O-N 2.7Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 3.14Å; L135-V148 HydrophobicContact CD1-CG1 4.05Å; L135-L151 HydrophobicContact CD1-CB 3.82Å; L135-A152 HydrophobicContact CD1-CB 4.32Å
136	E	43.4	Very low	40.5	Very low	108 Å²	108	70 Å²	70	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-55.2	-41.3	174.7	-76.8	-178.6	161.8	0	0	111	V132 S140	V132-E136 HydrophobicContact CG1-CG 4.3Å; V132-E136 WeakPolarHBondContact O-CB 3.11Å; V132-E136 VanDerWaalsContact O-CG 3.31Å; V132-E136 WeakPolarHBondContact O-CG 3.22Å; V132-E136 PolarHBondContact O-N 3.37Å; E136-S140 VanDerWaalsContact O-CB 3.26Å; E136-S140 WeakPolarHBondContact O-CB 3.42Å; E136-S140 PolarHBondContact O-N 2.85Å; E136-S140 PolarHBondContact O-OG 3.36Å
137	T	45.6	Very low	41.4	Very low	36 Å²	36	66.9 Å²	66.9	22%	0.221	38%	0.381	C	S	.	.	H	α-helix	trans	-79.1	-32.9	-177.8	-37.7	0	0	0	0	113	K133 D134 L135 S140 S141 F188	K133-T137 VanDerWaalsContact O-CB 3.25Å; K133-T137 WeakPolarHBondContact O-CB 3.39Å; K133-T137 PolarHBondContact O-N 2.76Å; K133-T137 PolarHBondContact O-OG1 2.68Å; D134-T137 PolarHBondContact O-N 2.91Å; L135-T137 PolarHBondContact O-N 3.2Å; T137-S140 PolarHBondContact O-N 3.28Å; T137-S141 WeakPolarHBondContact O-CB 3.47Å; T137-S141 PolarHBondContact O-N 3.47Å; T137-S141 PolarHBondContact O-OG 2.85Å; T137-F188 HydrophobicContact CG2-CD2 3.71Å; T137-F188 HydrophobicContact CG2-CE2 2.99Å; T137-F188 HydrophobicContact CG2-CZ 3.65Å
138	A	45.8	Very low	42.4	Very low	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-44.4	172.4	0	0	0	0	0	111.5	D134 L135 S141 D142 C143 L151	D134-A138 VanDerWaalsContact O-CB 3.27Å; D134-A138 WeakPolarHBondContact O-CB 3.33Å; D134-A138 PolarHBondContact O-N 3.02Å; L135-A138 PolarHBondContact O-N 2.7Å; A138-S141 PolarHBondContact O-N 3.43Å; A138-D142 PolarHBondContact O-N 3.45Å; A138-C143 HydrophobicContact CB-CB 4.38Å; A138-C143 WeakPolarHBondContact O-CB 3.18Å; A138-C143 PolarHBondContact O-N 3.5Å; A138-C143 VanDerWaalsContact O-N 3.16Å; A138-C143 PolarHBondContact O-SG 3.49Å; A138-L151 HydrophobicContact CB-CD1 3.62Å
139	V	44.3	Very low	43	Very low	12 Å²	12	62.5 Å²	62.5	7%	0.073	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-44.1	174.9	174.5	0	0	0	0	110.9	V91 L135 S141 D142 V148	V91-V139 HydrophobicContact CG1-CG1 3.66Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 3.14Å; V139-S141 PolarHBondContact O-N 3.46Å; V139-D142 PolarHBondContact O-N 3.36Å; V139-V148 HydrophobicContact CG2-CG1 3.86Å; V139-V148 HydrophobicContact CG2-CG2 4.14Å
140	S	41.7	Very low	43.6	Very low	46 Å²	46	60.5 Å²	60.5	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-21.3	176.8	-57.9	0	0	0	0	113.2	E136 T137	E136-S140 VanDerWaalsContact O-CB 3.26Å; E136-S140 WeakPolarHBondContact O-CB 3.42Å; E136-S140 PolarHBondContact O-N 2.85Å; E136-S140 PolarHBondContact O-OG 3.36Å; T137-S140 PolarHBondContact O-N 3.28Å
141	S	43	Very low	44.3	Very low	2 Å²	2	60.4 Å²	60.4	1%	0.014	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.3	179.9	-59.6	0	0	0	0	113.8	T137 A138 V139 C143 C185 K186	T137-S141 WeakPolarHBondContact O-CB 3.47Å; T137-S141 PolarHBondContact O-N 3.47Å; T137-S141 PolarHBondContact O-OG 2.85Å; A138-S141 PolarHBondContact O-N 3.43Å; V139-S141 PolarHBondContact O-N 3.46Å; S141-C143 VanDerWaalsContact C-N 3.32Å; S141-C143 PolarHBondContact O-N 2.84Å; S141-C185 WeakPolarHBondContact O-CB 2.79Å; S141-K186 PolarHBondContact O-N 3.13Å; S141-K186 VanDerWaalsContact O-N 3.12Å
142	D	41.8	Very low	44.5	Very low	97 Å²	97	55.7 Å²	55.7	52%	0.519	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	42.2	-179.1	-155.8	21.6	0	0	0	112.5	A138 V139	A138-D142 PolarHBondContact O-N 3.45Å; V139-D142 PolarHBondContact O-N 3.36Å
143	C	43.3	Very low	44.7	Very low	14 Å²	14	56 Å²	56	10%	0.095	29%	0.288	C	S	.	.			trans	-64.7	156.4	173.7	-68.8	0	0	0	0	111.8	A138 S141 T147 V148 C185	A138-C143 HydrophobicContact CB-CB 4.38Å; A138-C143 WeakPolarHBondContact O-CB 3.18Å; A138-C143 PolarHBondContact O-N 3.5Å; A138-C143 VanDerWaalsContact O-N 3.16Å; A138-C143 PolarHBondContact O-SG 3.49Å; S141-C143 VanDerWaalsContact C-N 3.32Å; S141-C143 PolarHBondContact O-N 2.84Å; C143-T147 HydrophobicContact CB-CG2 4.07Å; C143-V148 HydrophobicContact CB-CG2 4.38Å; C143-C185 WeakPolarHBondContact CA-SG 3.45Å; C143-C185 HydrophobicContact CB-CB 4.3Å; C143-C185 WeakPolarHBondContact CB-SG 3.43Å; C143-C185 WeakPolarHBondContact SG-CB 3.3Å; C143-C185 CovalentContact SG-SG 2.05Å; C143-C185 PolarHBondContact SG-SG 3.29Å
144	D	44.7	Very low	44.8	Very low	86 Å²	86	54 Å²	54	46%	0.46	28%	0.284	S	S	.	.			trans	-63	157.3	176.6	73.3	87.3	0	0	0	111.7	N146 T147 V148	D144-N146 VanDerWaalsContact C-N 3.27Å; D144-N146 PolarHBondContact O-N 2.72Å; D144-N146 WeakPolarHBondContact OD1-CA 3.08Å; D144-N146 VanDerWaalsContact OD1-CB 3.32Å; D144-N146 WeakPolarHBondContact OD1-CB 3.35Å; D144-N146 PolarHBondContact OD1-N 3.09Å; D144-T147 PolarHBondContact O-N 3.12Å; D144-T147 PolarHBondContact OD1-N 2.86Å; D144-T147 PolarHBondContact OD2-OG1 3.47Å; D144-V148 PolarHBondContact O-N 3.21Å
145	F	43.4	Very low	44.5	Very low	105 Å²	105	56.5 Å²	56.5	46%	0.461	29%	0.289	S	S	.	.	H	α-helix	trans	-57	-38.1	-176.4	175.7	-97.8	0	0	0	113	V148 R149	F145-V148 PolarHBondContact O-N 2.05Å; F145-R149 HydrophobicContact CE1-CB 4.42Å; F145-R149 WeakPolarHBondContact O-CB 3.46Å; F145-R149 PolarHBondContact O-N 3.45Å
146	N	44.8	Very low	44.5	Very low	79 Å²	79	58.6 Å²	58.6	42%	0.422	31%	0.306	S	S	.	.	H	α-helix	trans	-69	-38	-177.7	-67.1	-29	0	0	0	110.8	D144 R149 L150	D144-N146 VanDerWaalsContact C-N 3.27Å; D144-N146 PolarHBondContact O-N 2.72Å; D144-N146 WeakPolarHBondContact OD1-CA 3.08Å; D144-N146 VanDerWaalsContact OD1-CB 3.32Å; D144-N146 WeakPolarHBondContact OD1-CB 3.35Å; D144-N146 PolarHBondContact OD1-N 3.09Å; N146-R149 PolarHBondContact O-N 2.04Å; N146-L150 WeakPolarHBondContact O-CB 3.36Å; N146-L150 VanDerWaalsContact O-CG 3.22Å; N146-L150 WeakPolarHBondContact O-CG 3.12Å; N146-L150 PolarHBondContact O-N 3.29Å
147	T	47.4	Very low	44.4	Very low	23 Å²	23	56.7 Å²	56.7	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-48.3	174.3	-63.4	0	0	0	0	111.5	C143 D144 R149 L150 L151	C143-T147 HydrophobicContact CB-CG2 4.07Å; D144-T147 PolarHBondContact O-N 3.12Å; D144-T147 PolarHBondContact OD1-N 2.86Å; D144-T147 PolarHBondContact OD2-OG1 3.47Å; T147-R149 VanDerWaalsContact C-N 3.32Å; T147-R149 PolarHBondContact O-N 2.71Å; T147-L150 PolarHBondContact O-N 3.23Å; T147-L151 HydrophobicContact CG2-CD1 4.23Å; T147-L151 WeakPolarHBondContact O-CG 3.01Å; T147-L151 PolarHBondContact O-N 3.3Å; T147-L151 VanDerWaalsContact O-N 3.14Å
148	V	48.3	Very low	43.9	Very low	8 Å²	8	57.9 Å²	57.9	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-43	177.2	177.3	0	0	0	0	110.8	V100 L135 V139 C143 D144 F145 L151 A152	V100-V148 HydrophobicContact CG1-CG1 4.24Å; V100-V148 HydrophobicContact CG2-CG1 4.46Å; L135-V148 HydrophobicContact CD1-CG1 4.05Å; V139-V148 HydrophobicContact CG2-CG1 3.86Å; V139-V148 HydrophobicContact CG2-CG2 4.14Å; C143-V148 HydrophobicContact CB-CG2 4.38Å; D144-V148 PolarHBondContact O-N 3.21Å; F145-V148 PolarHBondContact O-N 2.05Å; V148-L151 PolarHBondContact O-N 2.98Å; V148-A152 WeakPolarHBondContact O-CB 3.44Å; V148-A152 PolarHBondContact O-N 3.27Å
149	R	43.2	Very low	43.3	Very low	108 Å²	108	63.1 Å²	63.1	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-47.3	179.2	-171.4	-173.3	124	-173.6	-1.2	112.2	F145 N146 T147 L151 A152 E153	F145-R149 HydrophobicContact CE1-CB 4.42Å; F145-R149 WeakPolarHBondContact O-CB 3.46Å; F145-R149 PolarHBondContact O-N 3.45Å; N146-R149 PolarHBondContact O-N 2.04Å; T147-R149 VanDerWaalsContact C-N 3.32Å; T147-R149 PolarHBondContact O-N 2.71Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 2.76Å; R149-A152 PolarHBondContact O-N 3.16Å; R149-E153 HydrophobicContact CG-CG 4.36Å; R149-E153 WeakPolarHBondContact CG-OE1 3.02Å; R149-E153 IonicContact CZ-OE1 2.74Å; R149-E153 IonicContact NE-OE1 3.97Å; R149-E153 PolarHBondContact NE-OE1 3.17Å; R149-E153 IonicContact NE-OE2 3.8Å; R149-E153 IonicContact NH2-OE1 3.48Å; R149-E153 PolarHBondContact NH2-OE1 3.36Å; R149-E153 WeakPolarHBondContact O-CB 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.33Å; R149-E153 PolarHBondContact O-N 3.22Å
150	L	45.3	Very low	42.8	Very low	30 Å²	30	68.7 Å²	68.7	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-40.2	179.4	-72.5	170.2	0	0	0	111.9	N146 T147 E153 N154 R155 L157 L161	N146-L150 WeakPolarHBondContact O-CB 3.36Å; N146-L150 VanDerWaalsContact O-CG 3.22Å; N146-L150 WeakPolarHBondContact O-CG 3.12Å; N146-L150 PolarHBondContact O-N 3.29Å; T147-L150 PolarHBondContact O-N 3.23Å; L150-E153 PolarHBondContact O-N 2.97Å; L150-N154 PolarHBondContact O-N 2.85Å; L150-R155 HydrophobicContact CD2-CB 4.2Å; L150-R155 PolarHBondContact O-N 2.85Å; L150-R155 VanDerWaalsContact O-N 3.17Å; L150-L157 HydrophobicContact CB-CD2 3.66Å; L150-L157 HydrophobicContact CD1-CD2 3.61Å; L150-L157 HydrophobicContact CG-CD2 4.27Å; L150-L161 HydrophobicContact CD1-CD1 4.4Å
151	L	48.9	Very low	42.6	Very low	44 Å²	44	70 Å²	70	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-43.2	174.2	-71.3	171.3	0	0	0	111.7	L135 A138 T147 V148 R149 N154	L135-L151 HydrophobicContact CD1-CB 3.82Å; A138-L151 HydrophobicContact CB-CD1 3.62Å; T147-L151 HydrophobicContact CG2-CD1 4.23Å; T147-L151 WeakPolarHBondContact O-CG 3.01Å; T147-L151 PolarHBondContact O-N 3.3Å; T147-L151 VanDerWaalsContact O-N 3.14Å; V148-L151 PolarHBondContact O-N 2.98Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 2.76Å; L151-N154 PolarHBondContact O-N 3.13Å
152	A	46.2	Very low	42.3	Very low	53 Å²	53	78.1 Å²	78.1	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-38.1	177.8	0	0	0	0	0	112.6	L135 V148 R149 N154	L135-A152 HydrophobicContact CD1-CB 4.32Å; V148-A152 WeakPolarHBondContact O-CB 3.44Å; V148-A152 PolarHBondContact O-N 3.27Å; R149-A152 PolarHBondContact O-N 3.16Å; A152-N154 PolarHBondContact O-N 3.29Å; A152-N154 VanDerWaalsContact O-N 3.13Å
153	E	43.8	Very low	41.9	Very low	87 Å²	87	75 Å²	75	41%	0.407	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	2.2	176.6	-71.7	176	-172.4	0	0	113.2	R149 L150 R155	R149-E153 HydrophobicContact CG-CG 4.36Å; R149-E153 WeakPolarHBondContact CG-OE1 3.02Å; R149-E153 IonicContact CZ-OE1 2.74Å; R149-E153 IonicContact NE-OE1 3.97Å; R149-E153 PolarHBondContact NE-OE1 3.17Å; R149-E153 IonicContact NE-OE2 3.8Å; R149-E153 IonicContact NH2-OE1 3.48Å; R149-E153 PolarHBondContact NH2-OE1 3.36Å; R149-E153 WeakPolarHBondContact O-CB 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.33Å; R149-E153 PolarHBondContact O-N 3.22Å; L150-E153 PolarHBondContact O-N 2.97Å; E153-R155 HydrophobicContact CB-CG 3.89Å; E153-R155 PolarHBondContact O-N 3.01Å; E153-R155 WeakPolarHBondContact OE2-CD 3.18Å; E153-R155 IonicContact OE2-NH1 3.89Å
154	N	46.9	Very low	41.7	Very low	104 Å²	104	78.9 Å²	78.9	56%	0.556	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	21.8	-172.9	-170.5	29.3	0	0	0	113	R131 L150 L151 A152	R131-N154 PolarHBondContact NH1-OD1 2.95Å; R131-N154 PolarHBondContact NH2-OD1 2.81Å; L150-N154 PolarHBondContact O-N 2.85Å; L151-N154 PolarHBondContact O-N 3.13Å; A152-N154 PolarHBondContact O-N 3.29Å; A152-N154 VanDerWaalsContact O-N 3.13Å
155	R	38.6	Very low	41.3	Very low	112 Å²	112	79.5 Å²	79.5	42%	0.423	41%	0.411	S	S	.	.			trans	-77.1	130.8	174.5	-68.8	-176	70	-169.4	-3.9	106.7	L150 E153 L157	L150-R155 HydrophobicContact CD2-CB 4.2Å; L150-R155 PolarHBondContact O-N 2.85Å; L150-R155 VanDerWaalsContact O-N 3.17Å; E153-R155 HydrophobicContact CB-CG 3.89Å; E153-R155 PolarHBondContact O-N 3.01Å; E153-R155 WeakPolarHBondContact OE2-CD 3.18Å; E153-R155 IonicContact OE2-NH1 3.89Å; R155-L157 PolarHBondContact O-N 3.37Å
156	S	43.4	Very low	40.9	Very low	76 Å²	76	80 Å²	80	53%	0.531	41%	0.41	S	S	.	.			trans	-57.1	131.8	163.3	55.2	0	0	0	0	107.1	T158	S156-T158 PolarHBondContact O-N 2.83Å; S156-T158 PolarHBondContact O-OG1 2.68Å; S156-T158 WeakPolarHBondContact OG-CG2 3.41Å
157	L	41.3	Very low	40.5	Very low	69 Å²	69	81.1 Å²	81.1	36%	0.361	41%	0.413	S	S	.	.			trans	-57.6	86.7	163.6	-64	171.7	0	0	0	106.2	L150 R155 L161	L150-L157 HydrophobicContact CB-CD2 3.66Å; L150-L157 HydrophobicContact CD1-CD2 3.61Å; L150-L157 HydrophobicContact CG-CD2 4.27Å; R155-L157 PolarHBondContact O-N 3.37Å; L157-L161 HydrophobicContact CB-CD1 4.28Å; L157-L161 HydrophobicContact CD2-CD1 3.86Å
158	T	35.3	Very low	39.8	Very low	61 Å²	61	84.4 Å²	84.4	37%	0.374	43%	0.429	S	S	.	.			trans	-83.2	165.4	-171.7	31.8	0	0	0	0	109.1	S156 E160 L161	S156-T158 PolarHBondContact O-N 2.83Å; S156-T158 PolarHBondContact O-OG1 2.68Å; S156-T158 WeakPolarHBondContact OG-CG2 3.41Å; T158-E160 PolarHBondContact O-N 3.29Å; T158-L161 PolarHBondContact O-N 3.41Å
159	D	34.5	Very low	38.9	Very low	109 Å²	109	90.2 Å²	90.2	58%	0.583	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-50.8	-7.2	-173	-64.2	-50.3	0	0	0	116.4	L161 R162 S163	D159-L161 VanDerWaalsContact C-N 3.26Å; D159-L161 PolarHBondContact O-N 3.38Å; D159-R162 HydrophobicContact CB-CB 4.43Å; D159-R162 CarbonylContact O-C 3.46Å; D159-R162 VanDerWaalsContact O-C 3.29Å; D159-R162 VanDerWaalsContact O-CA 3.25Å; D159-R162 WeakPolarHBondContact O-CA 3.27Å; D159-R162 WeakPolarHBondContact O-CB 3.41Å; D159-R162 PolarHBondContact O-N 3.29Å; D159-R162 WeakPolarHBondContact OD1-CD 3.27Å; D159-R162 IonicContact OD1-NE 3.9Å; D159-R162 IonicContact OD1-NH1 3.51Å; D159-S163 PolarHBondContact O-N 2.93Å
160	E	33.8	Very low	38.3	Very low	129 Å²	129	90.6 Å²	90.6	60%	0.603	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-57.1	-38.5	170.3	-74.9	179.9	155.4	0	0	112.2	T158 R162 S163	T158-E160 PolarHBondContact O-N 3.29Å; E160-R162 PolarHBondContact O-N 2.84Å; E160-S163 WeakPolarHBondContact O-CB 3.16Å; E160-S163 PolarHBondContact O-N 2.91Å; E160-S163 VanDerWaalsContact O-N 3.16Å; E160-S163 PolarHBondContact O-OG 2.87Å
161	L	37.4	Very low	37.5	Very low	75 Å²	75	98.5 Å²	98.5	39%	0.393	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-71.2	-19.4	170.8	-75.5	170.3	0	0	0	112.9	L150 L157 T158 D159 W166	L150-L161 HydrophobicContact CD1-CD1 4.4Å; L157-L161 HydrophobicContact CB-CD1 4.28Å; L157-L161 HydrophobicContact CD2-CD1 3.86Å; T158-L161 PolarHBondContact O-N 3.41Å; D159-L161 VanDerWaalsContact C-N 3.26Å; D159-L161 PolarHBondContact O-N 3.38Å; L161-W166 HydrophobicContact CD2-CD2 4.38Å; L161-W166 HydrophobicContact CD2-CE3 4.32Å; L161-W166 HydrophobicContact CD2-CH2 4.47Å; L161-W166 HydrophobicContact CD2-CZ3 4.36Å
162	R	36.1	Very low	36.4	Very low	171 Å²	171	104.7 Å²	104.7	65%	0.645	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-88	-13.3	171.8	-59.3	-170	180	-178.6	-9	112.6	D159 E160 Q167	D159-R162 HydrophobicContact CB-CB 4.43Å; D159-R162 CarbonylContact O-C 3.46Å; D159-R162 VanDerWaalsContact O-C 3.29Å; D159-R162 VanDerWaalsContact O-CA 3.25Å; D159-R162 WeakPolarHBondContact O-CA 3.27Å; D159-R162 WeakPolarHBondContact O-CB 3.41Å; D159-R162 PolarHBondContact O-N 3.29Å; D159-R162 WeakPolarHBondContact OD1-CD 3.27Å; D159-R162 IonicContact OD1-NE 3.9Å; D159-R162 IonicContact OD1-NH1 3.51Å; E160-R162 PolarHBondContact O-N 2.84Å; R162-Q167 PolarHBondContact O-NE2 2.69Å
163	S	33.6	Very low	35.4	Very low	32 Å²	32	107.8 Å²	107.8	22%	0.224	53%	0.526	C	S	.	.	S	Bend	trans	-64.3	139.9	-170.7	77.1	0	0	0	0	111.6	D159 E160 T165 W166 Q167	D159-S163 PolarHBondContact O-N 2.93Å; E160-S163 WeakPolarHBondContact O-CB 3.16Å; E160-S163 PolarHBondContact O-N 2.91Å; E160-S163 VanDerWaalsContact O-N 3.16Å; E160-S163 PolarHBondContact O-OG 2.87Å; S163-T165 PolarHBondContact O-N 2.66Å; S163-T165 VanDerWaalsContact O-N 3.15Å; S163-W166 PolarHBondContact O-N 3.46Å; S163-W166 VanDerWaalsContact O-N 3.11Å; S163-W166 PolarHBondContact OG-N 3.38Å; S163-Q167 WeakPolarHBondContact O-CG 3.26Å; S163-Q167 PolarHBondContact O-N 3.32Å
164	P	38.5	Very low	34.5	Very low	95 Å²	95	108.6 Å²	108.6	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-57.3	-30	177.5	-24.2	33	0	0	0	113	Q167 N168	P164-Q167 CarbonylContact O-C 3.6Å; P164-Q167 PolarHBondContact O-N 2.94Å; P164-N168 WeakPolarHBondContact O-CB 3.28Å; P164-N168 PolarHBondContact O-N 3.18Å; P164-N168 PolarHBondContact O-ND2 3.1Å
165	T	36.4	Very low	33.4	Very low	99 Å²	99	108.9 Å²	108.9	61%	0.607	54%	0.542	S	S	*	.	H	α-helix	trans	-62.5	-47.1	177.4	-41.4	0	0	0	0	110.8	S163 N168 E169	S163-T165 PolarHBondContact O-N 2.66Å; S163-T165 VanDerWaalsContact O-N 3.15Å; T165-N168 WeakPolarHBondContact O-CB 3.43Å; T165-N168 PolarHBondContact O-N 3.1Å; T165-N168 VanDerWaalsContact O-N 3.1Å; T165-E169 PolarHBondContact O-N 3.02Å; T165-E169 VanDerWaalsContact O-N 3.13Å
166	W	34.5	Very low	32.7	Very low	115 Å²	115	112.5 Å²	112.5	44%	0.436	56%	0.561	S	S	.	*	H	α-helix	trans	-68.6	-35.3	174.5	-124.1	91.1	0	0	0	112.2	L161 S163 N168 R170	L161-W166 HydrophobicContact CD2-CD2 4.38Å; L161-W166 HydrophobicContact CD2-CE3 4.32Å; L161-W166 HydrophobicContact CD2-CH2 4.47Å; L161-W166 HydrophobicContact CD2-CZ3 4.36Å; S163-W166 PolarHBondContact O-N 3.46Å; S163-W166 VanDerWaalsContact O-N 3.11Å; S163-W166 PolarHBondContact OG-N 3.38Å; W166-N168 PolarHBondContact O-N 3.33Å; W166-R170 PolarHBondContact O-N 3.37Å
167	Q	36.7	Very low	31.7	Very low	104 Å²	104	112.4 Å²	112.4	49%	0.486	57%	0.565	S	S	.	*	H	α-helix	trans	-66	-20.4	171.5	-63.9	-158.8	28.9	0	0	113.6	R162 S163 P164 R170	R162-Q167 PolarHBondContact O-NE2 2.69Å; S163-Q167 WeakPolarHBondContact O-CG 3.26Å; S163-Q167 PolarHBondContact O-N 3.32Å; P164-Q167 CarbonylContact O-C 3.6Å; P164-Q167 PolarHBondContact O-N 2.94Å; Q167-R170 WeakPolarHBondContact O-CB 3.5Å
168	N	32.9	Very low	30.8	Very low	92 Å²	92	114.6 Å²	114.6	49%	0.492	59%	0.586	S	S	.	*	H	α-helix	trans	-87.8	-38.3	177.8	-89.5	-39.3	0	0	0	112.7	P164 T165 W166 R170 R171	P164-N168 WeakPolarHBondContact O-CB 3.28Å; P164-N168 PolarHBondContact O-N 3.18Å; P164-N168 PolarHBondContact O-ND2 3.1Å; T165-N168 WeakPolarHBondContact O-CB 3.43Å; T165-N168 PolarHBondContact O-N 3.1Å; T165-N168 VanDerWaalsContact O-N 3.1Å; W166-N168 PolarHBondContact O-N 3.33Å; N168-R170 PolarHBondContact O-N 3.31Å; N168-R171 PolarHBondContact O-N 3.33Å; N168-R171 VanDerWaalsContact O-N 3.16Å
169	E	29.3	Very low	30.3	Very low	130 Å²	130	122.7 Å²	122.7	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-62.6	-22.9	173.5	-69.5	-169.9	167.2	0	0	112.5	T165 R171 H172	T165-E169 PolarHBondContact O-N 3.02Å; T165-E169 VanDerWaalsContact O-N 3.13Å; E169-R171 PolarHBondContact O-N 3.22Å; E169-H172 PolarHBondContact O-N 3.03Å
170	R	30.8	Very low	29.8	Very low	115 Å²	115	120.9 Å²	120.9	43%	0.434	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-46.2	-22.8	167.1	-147	178.6	-175.2	-177.7	4.6	115.3	W166 Q167 N168 H172	W166-R170 PolarHBondContact O-N 3.37Å; Q167-R170 WeakPolarHBondContact O-CB 3.5Å; N168-R170 PolarHBondContact O-N 3.31Å; R170-H172 VanDerWaalsContact C-N 3.27Å; R170-H172 PolarHBondContact O-N 3.05Å
171	R	29	Very low	29.6	Very low	196 Å²	196	126.1 Å²	126.1	74%	0.74	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-24.5	-176.1	-128.5	-176.9	-67.2	-162.1	-1.4	113.7	N168 E169	N168-R171 PolarHBondContact O-N 3.33Å; N168-R171 VanDerWaalsContact O-N 3.16Å; E169-R171 PolarHBondContact O-N 3.22Å
172	H	24.6	Very low	29.1	Very low	174 Å²	174	130.2 Å²	130.2	81%	0.806	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-17.9	-169.3	-78.8	-80.2	0	0	0	116	E169 R170	E169-H172 PolarHBondContact O-N 3.03Å; R170-H172 VanDerWaalsContact C-N 3.27Å; R170-H172 PolarHBondContact O-N 3.05Å
173	V	25.6	Very low	28.9	Very low	119 Å²	119	127.9 Å²	127.9	72%	0.721	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-9	-168.1	-175.6	0	0	0	0	114.4
174	L	25.3	Very low	28.7	Very low	104 Å²	104	129.8 Å²	129.8	55%	0.545	65%	0.653	S	S	.	*			trans	-130.7	54.2	-169.9	-69.8	170.5	0	0	0	115	F176	L174-F176 PolarHBondContact O-N 3.39Å
175	S	23.1	Very low	28.4	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-3.1	154.6	77.3	0	0	0	0	112.7
176	F	23.7	Very low	28.4	Very low	188 Å²	188	129.2 Å²	129.2	83%	0.825	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	2.8	-171.8	-94.6	-83.1	0	0	0	117.3	L174	L174-F176 PolarHBondContact O-N 3.39Å
177	A	22.4	Very low	28.1	Very low	74 Å²	74	131.6 Å²	131.6	61%	0.612	65%	0.646	S	S	*	*			trans	-141.7	72.9	173.4	0	0	0	0	0	111.2	R179	A177-R179 PolarHBondContact O-N 2.56Å
178	S	23.4	Very low	27.7	Very low	115 Å²	115	129.2 Å²	129.2	80%	0.804	63%	0.634	S	S	*	*			trans	-67.5	23.1	-171.3	55.5	0	0	0	0	116.9
179	R	25.1	Very low	27.6	Very low	232 Å²	232	127.6 Å²	127.6	88%	0.875	63%	0.629	S	S	*	*	S	Bend	trans	-141	85	177.9	-69.5	-171.6	177.1	168.3	-1.4	112.8	A177	A177-R179 PolarHBondContact O-N 2.56Å
180	G	24.6	Very low	27.6	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	62%	0.62	S	S	*	*			trans	56	91	137.8	0	0	0	0	0	118.1
181	R	28.4	Very low	27.6	Very low	240 Å²	240	130.2 Å²	130.2	91%	0.906	66%	0.656	S	S	*	*	S	Bend	trans	60.9	88.4	151.6	-49.2	-174	-147.1	-175.1	6.9	116.7
182	K	26.3	Very low	27.5	Very low	161 Å²	161	127 Å²	127	70%	0.7	65%	0.652	S	S	*	*			trans	-179.5	138.1	141	-94.6	156.4	-171.5	-170.6	0	108.9	C184 C189	K182-C184 VanDerWaalsContact C-N 3.34Å; K182-C184 WeakPolarHBondContact CB-SG 3.25Å; K182-C184 PolarHBondContact O-N 2.54Å; K182-C184 VanDerWaalsContact O-N 3.09Å; K182-C189 HydrophobicContact CB-CB 4.14Å; K182-C189 HydrophobicContact CD-CB 4.23Å; K182-C189 HydrophobicContact CG-CB 4.2Å
183	F	33.1	Very low	27.7	Very low	122 Å²	122	124.5 Å²	124.5	54%	0.535	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	90	168.7	-98	-84.8	0	0	0	107.5	C189	F183-C189 VanDerWaalsContact O-CA 3.3Å; F183-C189 WeakPolarHBondContact O-CA 3.35Å
184	C	29.6	Very low	27.8	Very low	72 Å²	72	124.8 Å²	124.8	49%	0.486	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	110.6	179.1	-60.5	0	0	0	0	109.7	K182 F188 C189	K182-C184 VanDerWaalsContact C-N 3.34Å; K182-C184 WeakPolarHBondContact CB-SG 3.25Å; K182-C184 PolarHBondContact O-N 2.54Å; K182-C184 VanDerWaalsContact O-N 3.09Å; C184-F188 CarbonylContact C-O 3.53Å; C184-F188 WeakPolarHBondContact CA-O 3.31Å; C184-C189 HydrophobicContact CB-CB 4.25Å; C184-C189 WeakPolarHBondContact CB-SG 3.43Å; C184-C189 WeakPolarHBondContact SG-CB 3.22Å; C184-C189 CovalentContact SG-SG 2.04Å; C184-C189 PolarHBondContact SG-SG 3.33Å
185	C	32.2	Very low	27.9	Very low	27 Å²	27	126 Å²	126	18%	0.182	65%	0.645	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.6	157.5	145.5	-56.4	0	0	0	0	106.7	S141 C143 Y187 F188	S141-C185 WeakPolarHBondContact O-CB 2.79Å; C143-C185 WeakPolarHBondContact CA-SG 3.45Å; C143-C185 HydrophobicContact CB-CB 4.3Å; C143-C185 WeakPolarHBondContact CB-SG 3.43Å; C143-C185 WeakPolarHBondContact SG-CB 3.3Å; C143-C185 CovalentContact SG-SG 2.05Å; C143-C185 PolarHBondContact SG-SG 3.29Å; C185-Y187 CarbonylContact O-C 3.58Å; C185-Y187 PolarHBondContact O-N 2.81Å; C185-F188 HydrophobicContact CB-CB 4.37Å; C185-F188 PolarHBondContact N-O 3.01Å; C185-F188 PolarHBondContact O-N 3.46Å
186	K	35.1	Very low	28.2	Very low	155 Å²	155	127.1 Å²	127.1	67%	0.674	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.4	-28.2	-167.3	-168.5	175.8	176.3	179.8	0	115.4	S141	S141-K186 PolarHBondContact O-N 3.13Å; S141-K186 VanDerWaalsContact O-N 3.12Å
187	Y	29.5	Very low	28.5	Very low	165 Å²	165	123 Å²	123	65%	0.647	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.8	0.5	174.1	-58.3	-77.4	0	0	0	116	C185	C185-Y187 CarbonylContact O-C 3.58Å; C185-Y187 PolarHBondContact O-N 2.81Å
188	F	27.8	Very low	29	Very low	53 Å²	53	126.5 Å²	126.5	23%	0.232	63%	0.626	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	112.2	-175.8	-88.6	-101	0	0	0	111.6	T137 C184 C185 Y190	T137-F188 HydrophobicContact CG2-CD2 3.71Å; T137-F188 HydrophobicContact CG2-CE2 2.99Å; T137-F188 HydrophobicContact CG2-CZ 3.65Å; C184-F188 CarbonylContact C-O 3.53Å; C184-F188 WeakPolarHBondContact CA-O 3.31Å; C185-F188 HydrophobicContact CB-CB 4.37Å; C185-F188 PolarHBondContact N-O 3.01Å; C185-F188 PolarHBondContact O-N 3.46Å; F188-Y190 HydrophobicContact CB-CD2 4.4Å; F188-Y190 HydrophobicContact CB-CE2 3.94Å; F188-Y190 HydrophobicContact CD1-CE1 4.31Å; F188-Y190 AromaticContact CD1-CE2 3.75Å; F188-Y190 HydrophobicContact CD1-CE2 3.75Å; F188-Y190 AromaticContact CD1-CZ 3.58Å; F188-Y190 WeakPolarHBondContact CD1-OH 3.27Å; F188-Y190 HydrophobicContact CG-CE2 4.23Å
189	C	30.6	Very low	29.4	Very low	59 Å²	59	127.4 Å²	127.4	40%	0.399	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	104.6	167.5	-45.5	0	0	0	0	108.4	K182 F183 C184	K182-C189 HydrophobicContact CB-CB 4.14Å; K182-C189 HydrophobicContact CD-CB 4.23Å; K182-C189 HydrophobicContact CG-CB 4.2Å; F183-C189 VanDerWaalsContact O-CA 3.3Å; F183-C189 WeakPolarHBondContact O-CA 3.35Å; C184-C189 HydrophobicContact CB-CB 4.25Å; C184-C189 WeakPolarHBondContact CB-SG 3.43Å; C184-C189 WeakPolarHBondContact SG-CB 3.22Å; C184-C189 CovalentContact SG-SG 2.04Å; C184-C189 PolarHBondContact SG-SG 3.33Å
190	Y	30	Very low	29.8	Very low	103 Å²	103	118.7 Å²	118.7	40%	0.404	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.5	137.1	175	-70	-86.5	0	0	0	110.1	F188	F188-Y190 HydrophobicContact CB-CD2 4.4Å; F188-Y190 HydrophobicContact CB-CE2 3.94Å; F188-Y190 HydrophobicContact CD1-CE1 4.31Å; F188-Y190 AromaticContact CD1-CE2 3.75Å; F188-Y190 HydrophobicContact CD1-CE2 3.75Å; F188-Y190 AromaticContact CD1-CZ 3.58Å; F188-Y190 WeakPolarHBondContact CD1-OH 3.27Å; F188-Y190 HydrophobicContact CG-CE2 4.23Å
191	V	29.8	Very low	30.2	Very low	197 Å²	197	123.1 Å²	123.1	100%	1.194	58%	0.578	S	S	*	*			trans	-88.9	0	177.3	-171	0	0	0	0	110

Retrieved 191 of 191 residues in 269.1 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).