A0A077ZN41_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 aa.

						>A0A077ZN41_TRITR|A0A077ZN41
MNANCTTIDNEEKVARLNKVRSLCIVEIDSYEKSGYYSCEACLLIANVVRREHCFPDKRTSTQAEIVVKGPFQLVETIDNGTHIYIEFNANPMHYALLEYWIDDVSFIRKERSRGDIPNARRITGNWNRIAIDKENVLLTDQ
					

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	31.7	Very low	27.2	Very low	241 Å²	241	141.9 Å²	141.9	100%	1.187	79%	0.794	S	S	*	*				0	88.5	0	-71.8	172.6	172.3	0	0	107
2	N	27.4	Very low	27.1	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	80%	0.802	S	S	*	*			trans	-103.2	103	177.2	-81	6.9	0	0	0	107.3	N4	N2-N4 PolarHBondContact O-N 3.12Å; N2-N4 VanDerWaalsContact O-N 3.09Å
3	A	29.6	Very low	27.1	Very low	94 Å²	94	149.8 Å²	149.8	78%	0.777	81%	0.806	S	S	*	*			trans	-67.4	105.9	170.5	0	0	0	0	0	107.5	C5	A3-C5 PolarHBondContact O-N 2.95Å
4	N	26.4	Very low	27.2	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	80%	0.799	S	S	*	*			trans	-60.1	102.1	166.5	-77	-19.9	0	0	0	107.5	N2 T6	N2-N4 PolarHBondContact O-N 3.12Å; N2-N4 VanDerWaalsContact O-N 3.09Å; N4-T6 PolarHBondContact O-N 2.82Å
5	C	24.9	Very low	27.4	Very low	120 Å²	120	141.9 Å²	141.9	81%	0.811	78%	0.782	S	S	*	*			trans	-67.6	93.5	160.9	-68	0	0	0	0	106.5	A3 T7	A3-C5 PolarHBondContact O-N 2.95Å; C5-T7 PolarHBondContact O-N 3.28Å; C5-T7 VanDerWaalsContact O-N 3.1Å
6	T	23.9	Very low	27.5	Very low	115 Å²	115	144.7 Å²	144.7	71%	0.706	78%	0.777	S	S	*	*			trans	-60.5	111	161.7	41.1	0	0	0	0	106.8	N4 I8	N4-T6 PolarHBondContact O-N 2.82Å; T6-I8 VanDerWaalsContact C-N 3.3Å; T6-I8 PolarHBondContact O-N 3.43Å
7	T	26.5	Very low	27.6	Very low	132 Å²	132	142.4 Å²	142.4	81%	0.81	76%	0.764	S	S	*	*			trans	-57.2	100.6	164	-14.8	0	0	0	0	105.9	C5 D9	C5-T7 PolarHBondContact O-N 3.28Å; C5-T7 VanDerWaalsContact O-N 3.1Å; T7-D9 PolarHBondContact O-N 3.14Å; T7-D9 VanDerWaalsContact O-N 3.16Å
8	I	28	Very low	28.1	Very low	123 Å²	123	138.9 Å²	138.9	63%	0.631	75%	0.745	S	S	*	*			trans	-68.2	113.8	168.7	-61.9	174.6	0	0	0	103.9	T6 N10	T6-I8 VanDerWaalsContact C-N 3.3Å; T6-I8 PolarHBondContact O-N 3.43Å; I8-N10 WeakPolarHBondContact CG2-OD1 3.5Å; I8-N10 PolarHBondContact O-N 2.99Å
9	D	25	Very low	28.5	Very low	137 Å²	137	140.3 Å²	140.3	73%	0.733	74%	0.743	S	S	*	*			trans	-57	66.2	167.1	-86.8	-32.3	0	0	0	110.2	T7 E11	T7-D9 PolarHBondContact O-N 3.14Å; T7-D9 VanDerWaalsContact O-N 3.16Å; D9-E11 PolarHBondContact O-N 3.47Å
10	N	29.4	Very low	28.8	Very low	120 Å²	120	136.3 Å²	136.3	64%	0.642	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-73.4	10	167.1	-83.3	-17.4	0	0	0	111.2	I8 E12	I8-N10 WeakPolarHBondContact CG2-OD1 3.5Å; I8-N10 PolarHBondContact O-N 2.99Å; N10-E12 PolarHBondContact O-N 2.78Å
11	E	26.9	Very low	29.3	Very low	174 Å²	174	137.7 Å²	137.7	81%	0.813	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-60.5	-16.9	-175.8	-80	-160.7	151.7	0	0	114.2	D9	D9-E11 PolarHBondContact O-N 3.47Å
12	E	25.6	Very low	29.7	Very low	189 Å²	189	127.3 Å²	127.3	88%	0.883	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-106.8	-1.7	-172.6	-119.3	-175.8	172.9	0	0	117	N10	N10-E12 PolarHBondContact O-N 2.78Å
13	K	26.5	Very low	30.4	Very low	197 Å²	197	123.9 Å²	123.9	86%	0.857	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	13.8	177.3	-77.7	-171.5	-175.7	175.6	0	115.8	A15	K13-A15 PolarHBondContact O-N 3.08Å
14	V	29.4	Very low	31.1	Very low	117 Å²	117	121.2 Å²	121.2	71%	0.709	63%	0.628	S	S	*	*			trans	-69.6	67.9	146.6	-165.4	0	0	0	0	106	R16	V14-R16 PolarHBondContact O-N 3.38Å
15	A	29.5	Very low	32.1	Very low	65 Å²	65	118 Å²	118	54%	0.537	61%	0.61	S	S	.	*			trans	-51.8	102.8	169.5	0	0	0	0	0	103.6	K13 L17	K13-A15 PolarHBondContact O-N 3.08Å; A15-L17 PolarHBondContact O-N 3.44Å
16	R	28.8	Very low	33	Very low	186 Å²	186	115.1 Å²	115.1	70%	0.702	59%	0.588	S	S	*	*			trans	-39.7	103.9	-171.8	-66	171.8	165.4	171.1	-8.4	107.5	V14 N18	V14-R16 PolarHBondContact O-N 3.38Å; R16-N18 HydrophobicContact CB-CB 4.15Å; R16-N18 VanDerWaalsContact CB-ND2 3.34Å; R16-N18 WeakPolarHBondContact CB-ND2 3.32Å; R16-N18 VanDerWaalsContact CB-OD1 3.31Å; R16-N18 WeakPolarHBondContact CB-OD1 3.36Å; R16-N18 WeakPolarHBondContact O-CA 3.46Å; R16-N18 VanDerWaalsContact O-CB 3.25Å; R16-N18 WeakPolarHBondContact O-CB 3.42Å; R16-N18 PolarHBondContact O-N 2.73Å
17	L	30.7	Very low	34.3	Very low	106 Å²	106	114.4 Å²	114.4	56%	0.555	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70	85.9	171.6	-79.7	169.9	0	0	0	103.6	A15 K19 L43	A15-L17 PolarHBondContact O-N 3.44Å; L17-K19 PolarHBondContact O-N 2.74Å; L17-K19 VanDerWaalsContact O-N 3.14Å; L17-L43 HydrophobicContact CD2-CB 4.28Å; L17-L43 HydrophobicContact CD2-CD1 3.96Å; L17-L43 HydrophobicContact CD2-CD2 4.32Å; L17-L43 HydrophobicContact CD2-CG 4.42Å
18	N	36.5	Very low	35.2	Very low	79 Å²	79	112.3 Å²	112.3	42%	0.422	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.3	11.6	-146.8	-118.7	-19.8	0	0	0	113.7	R16 A46	R16-N18 HydrophobicContact CB-CB 4.15Å; R16-N18 VanDerWaalsContact CB-ND2 3.34Å; R16-N18 WeakPolarHBondContact CB-ND2 3.32Å; R16-N18 VanDerWaalsContact CB-OD1 3.31Å; R16-N18 WeakPolarHBondContact CB-OD1 3.36Å; R16-N18 WeakPolarHBondContact O-CA 3.46Å; R16-N18 VanDerWaalsContact O-CB 3.25Å; R16-N18 WeakPolarHBondContact O-CB 3.42Å; R16-N18 PolarHBondContact O-N 2.73Å; N18-A46 HydrophobicContact CB-CB 4.18Å
19	K	34.4	Very low	36	Very low	165 Å²	165	109.7 Å²	109.7	72%	0.717	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	175	113.9	166.6	-98.2	149.7	-171	-171.3	0	106.1	L17 L44	L17-K19 PolarHBondContact O-N 2.74Å; L17-K19 VanDerWaalsContact O-N 3.14Å; K19-L44 PolarHBondContact O-N 3.4Å
20	V	34.2	Very low	36.9	Very low	61 Å²	61	108 Å²	108	37%	0.37	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.5	158.5	-173.9	0	0	0	0	105.2	A41 C42 L43 K134	V20-A41 HydrophobicContact CG1-CB 4.16Å; V20-C42 WeakPolarHBondContact CA-O 3.39Å; V20-L43 HydrophobicContact CB-CD2 4.5Å; V20-L43 HydrophobicContact CG1-CD2 4.44Å; V20-L43 HydrophobicContact CG2-CD2 3.73Å; V20-K134 HydrophobicContact CG1-CD 4.33Å
21	R	40	Very low	37.5	Very low	165 Å²	165	112.7 Å²	112.7	62%	0.623	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.5	113.7	165.7	-174.8	-177	-178.8	-173.9	0	107.2	C42	R21-C42 PolarHBondContact N-O 2.83Å; R21-C42 WeakPolarHBondContact O-CB 3.27Å; R21-C42 PolarHBondContact O-N 2.81Å
22	S	39.9	Very low	38.4	Very low	24 Å²	24	111.1 Å²	111.1	17%	0.168	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.2	166.6	-13.4	0	0	0	0	108.6	E40 D79 K134	S22-E40 CarbonylContact C-O 3.48Å; S22-E40 VanDerWaalsContact CA-O 3.28Å; S22-E40 WeakPolarHBondContact CA-O 3.3Å; S22-D79 VanDerWaalsContact CB-OD2 3.24Å; S22-D79 WeakPolarHBondContact CB-OD2 3.41Å; S22-D79 PolarHBondContact OG-OD2 2.86Å; S22-K134 PolarHBondContact OG-NZ 2.73Å
23	L	43.5	Very low	39.4	Very low	84 Å²	84	108.6 Å²	108.6	44%	0.44	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114	159.3	-179.1	68.6	0	0	0	106.6	E40	L23-E40 PolarHBondContact N-O 2.86Å; L23-E40 PolarHBondContact O-N 2.86Å
24	C	43.1	Very low	40.3	Very low	38 Å²	38	100.1 Å²	100.1	26%	0.257	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126	172.7	-58.9	0	0	0	0	109.4	Y37 S38 C39 I84	C24-Y37 HydrophobicContact CB-CE1 4.22Å; C24-Y37 HydrophobicContact CB-CE2 3.67Å; C24-Y37 VanDerWaalsContact CB-CZ 3.43Å; C24-Y37 WeakPolarHBondContact CB-OH 3.29Å; C24-Y37 PolarHBondContact SG-OH 2.92Å; C24-S38 CarbonylContact C-O 3.59Å; C24-S38 VanDerWaalsContact CA-O 3.26Å; C24-S38 WeakPolarHBondContact CA-O 3.45Å; C24-C39 HydrophobicContact CB-CB 4.21Å; C24-C39 WeakPolarHBondContact CB-SG 3.1Å; C24-C39 WeakPolarHBondContact SG-CB 3.15Å; C24-C39 CovalentContact SG-SG 2.04Å; C24-C39 PolarHBondContact SG-SG 2.87Å; C24-I84 WeakPolarHBondContact SG-CD1 3.26Å
25	I	47	Very low	41.2	Very low	82 Å²	82	95 Å²	95	42%	0.421	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.5	175.3	-59.1	175.5	0	0	0	106.5	E27 S38	I25-E27 HydrophobicContact CG2-CG 4.11Å; I25-S38 PolarHBondContact N-O 2.9Å; I25-S38 PolarHBondContact O-N 3.3Å
26	V	45.3	Very low	42.2	Very low	58 Å²	58	94.1 Å²	94.1	35%	0.352	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.5	167.6	-178.2	0	0	0	0	106.4	I28 Y37 L74 T77	V26-I28 HydrophobicContact CG1-CD1 4.06Å; V26-I28 HydrophobicContact CG1-CG1 3.78Å; V26-Y37 HydrophobicContact CB-CD2 4.36Å; V26-Y37 HydrophobicContact CG2-CD2 3.5Å; V26-Y37 HydrophobicContact CG2-CE2 3.49Å; V26-Y37 VanDerWaalsContact CG2-CE2 3.49Å; V26-L74 HydrophobicContact CG1-CD2 3.86Å; V26-L74 HydrophobicContact CG2-CD2 4.32Å; V26-T77 HydrophobicContact CG2-CG2 4.46Å
27	E	49.3	Very low	43	Very low	101 Å²	101	85.9 Å²	85.9	47%	0.472	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.2	165.8	-82.3	-174.8	-158.9	0	0	108.5	I25 G35 Y36	I25-E27 HydrophobicContact CG2-CG 4.11Å; E27-G35 CarbonylContact O-C 3.55Å; E27-G35 WeakPolarHBondContact O-CA 3.34Å; E27-Y36 HydrophobicContact CB-CD1 3.93Å; E27-Y36 HydrophobicContact CB-CE1 3.38Å; E27-Y36 HydrophobicContact CB-CE2 4.18Å; E27-Y36 HydrophobicContact CG-CE1 4.19Å; E27-Y36 PolarHBondContact N-O 3.47Å; E27-Y36 PolarHBondContact O-N 3Å; E27-Y36 PolarHBondContact OE1-OH 2.86Å; E27-Y36 WeakPolarHBondContact OE2-CE1 3.37Å; E27-Y36 PolarHBondContact OE2-OH 2.66Å
28	I	45.6	Very low	43.9	Very low	88 Å²	88	82 Å²	82	45%	0.451	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.5	175.8	-60	171	0	0	0	107.2	V26 S30 L74	V26-I28 HydrophobicContact CG1-CD1 4.06Å; V26-I28 HydrophobicContact CG1-CG1 3.78Å; I28-S30 PolarHBondContact O-N 2.83Å; I28-L74 HydrophobicContact CD1-CB 4.15Å; I28-L74 HydrophobicContact CD1-CD2 4.21Å
29	D	45.6	Very low	44.3	Very low	67 Å²	67	79.2 Å²	79.2	36%	0.358	39%	0.391	S	S	.	.			trans	-76	105.7	164.5	-170.4	-40.2	0	0	0	108.1	Y31 E32 K33 S34	D29-Y31 PolarHBondContact O-N 3.49Å; D29-Y31 WeakPolarHBondContact OD1-CA 3.12Å; D29-Y31 VanDerWaalsContact OD1-CB 3.29Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.46Å; D29-Y31 PolarHBondContact OD1-N 3.11Å; D29-E32 HydrophobicContact CB-CB 4.19Å; D29-E32 PolarHBondContact O-N 3.29Å; D29-E32 PolarHBondContact OD1-N 2.8Å; D29-K33 WeakPolarHBondContact O-CA 3.04Å; D29-K33 PolarHBondContact O-N 3.25Å; D29-S34 WeakPolarHBondContact CA-O 3.4Å; D29-S34 WeakPolarHBondContact CB-O 3.44Å; D29-S34 PolarHBondContact N-O 3.5Å
30	S	43.7	Very low	44.9	Very low	101 Å²	101	72.5 Å²	72.5	71%	0.706	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.9	-179.5	58.7	0	0	0	0	113.2	I28	I28-S30 PolarHBondContact O-N 2.83Å
31	Y	41.9	Very low	45.2	Very low	219 Å²	219	70.1 Å²	70.1	86%	0.859	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-48.2	176.7	-87.3	-87	0	0	0	111.7	D29 K33	D29-Y31 PolarHBondContact O-N 3.49Å; D29-Y31 WeakPolarHBondContact OD1-CA 3.12Å; D29-Y31 VanDerWaalsContact OD1-CB 3.29Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.46Å; D29-Y31 PolarHBondContact OD1-N 3.11Å; Y31-K33 VanDerWaalsContact C-N 3.31Å; Y31-K33 PolarHBondContact O-N 3.13Å
32	E	46	Very low	45.3	Very low	141 Å²	141	62.6 Å²	62.6	66%	0.659	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.3	-177	-67.8	-163.2	165.9	0	0	113.4	D29 S34	D29-E32 HydrophobicContact CB-CB 4.19Å; D29-E32 PolarHBondContact O-N 3.29Å; D29-E32 PolarHBondContact OD1-N 2.8Å; E32-S34 WeakPolarHBondContact CB-OG 3.37Å; E32-S34 PolarHBondContact O-N 3.02Å; E32-S34 PolarHBondContact OE2-OG 2.96Å; E32-S34 VanDerWaalsContact OE2-OG 3.13Å
33	K	46.5	Very low	45.2	Very low	136 Å²	136	63.3 Å²	63.3	59%	0.591	32%	0.323	S	S	*	.	S	Bend	trans	53.1	16.6	-166.8	-55.4	-176.2	-179.8	-178.2	0	112.8	D29 Y31	D29-K33 WeakPolarHBondContact O-CA 3.04Å; D29-K33 PolarHBondContact O-N 3.25Å; Y31-K33 VanDerWaalsContact C-N 3.31Å; Y31-K33 PolarHBondContact O-N 3.13Å
34	S	46.3	Very low	44.9	Very low	20 Å²	20	63 Å²	63	14%	0.14	32%	0.322	C	S	.	.			trans	-99.5	159.1	174.1	69.2	0	0	0	0	107.6	D29 E32	D29-S34 WeakPolarHBondContact CA-O 3.4Å; D29-S34 WeakPolarHBondContact CB-O 3.44Å; D29-S34 PolarHBondContact N-O 3.5Å; E32-S34 WeakPolarHBondContact CB-OG 3.37Å; E32-S34 PolarHBondContact O-N 3.02Å; E32-S34 PolarHBondContact OE2-OG 2.96Å; E32-S34 VanDerWaalsContact OE2-OG 3.13Å
35	G	48.4	Very low	44.8	Very low	9 Å²	9	64.4 Å²	64.4	9%	0.093	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	172.3	176.8	0	0	0	0	0	110.7	E27 V68	E27-G35 CarbonylContact O-C 3.55Å; E27-G35 WeakPolarHBondContact O-CA 3.34Å; G35-V68 PolarHBondContact N-O 2.85Å; G35-V68 CarbonylContact O-C 3.5Å; G35-V68 PolarHBondContact O-N 3.1Å
36	Y	48.9	Very low	44.5	Very low	46 Å²	46	62.6 Å²	62.6	18%	0.18	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.4	169.7	70.1	-90.1	0	0	0	110.4	E27 R109	E27-Y36 HydrophobicContact CB-CD1 3.93Å; E27-Y36 HydrophobicContact CB-CE1 3.38Å; E27-Y36 HydrophobicContact CB-CE2 4.18Å; E27-Y36 HydrophobicContact CG-CE1 4.19Å; E27-Y36 PolarHBondContact N-O 3.47Å; E27-Y36 PolarHBondContact O-N 3Å; E27-Y36 PolarHBondContact OE1-OH 2.86Å; E27-Y36 WeakPolarHBondContact OE2-CE1 3.37Å; E27-Y36 PolarHBondContact OE2-OH 2.66Å; Y36-R109 PolarHBondContact OH-NH1 3.48Å; Y36-R109 PolarHBondContact OH-NH2 3.48Å
37	Y	46.5	Very low	44.4	Very low	13 Å²	13	66.9 Å²	66.9	5%	0.051	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.5	179.1	-170.9	-108.2	0	0	0	108.7	C24 V26 C39 I66 T77 I84 I86 I132	C24-Y37 HydrophobicContact CB-CE1 4.22Å; C24-Y37 HydrophobicContact CB-CE2 3.67Å; C24-Y37 VanDerWaalsContact CB-CZ 3.43Å; C24-Y37 WeakPolarHBondContact CB-OH 3.29Å; C24-Y37 PolarHBondContact SG-OH 2.92Å; V26-Y37 HydrophobicContact CB-CD2 4.36Å; V26-Y37 HydrophobicContact CG2-CD2 3.5Å; V26-Y37 HydrophobicContact CG2-CE2 3.49Å; V26-Y37 VanDerWaalsContact CG2-CE2 3.49Å; Y37-C39 HydrophobicContact CE1-CB 4.36Å; Y37-C39 WeakPolarHBondContact CE1-SG 3.21Å; Y37-C39 PolarHBondContact OH-SG 2.87Å; Y37-I66 CarbonylContact C-O 3.48Å; Y37-I66 WeakPolarHBondContact CA-O 3.1Å; Y37-I66 WeakPolarHBondContact CB-O 3.39Å; Y37-I66 PolarHBondContact N-O 2.99Å; Y37-I66 CarbonylContact O-C 3.3Å; Y37-I66 WeakPolarHBondContact O-CA 3.2Å; Y37-I66 PolarHBondContact O-N 3.27Å; Y37-T77 HydrophobicContact CE2-CG2 4.04Å; Y37-I84 HydrophobicContact CE1-CG2 3.93Å; Y37-I84 WeakPolarHBondContact OH-CG2 3.13Å; Y37-I86 HydrophobicContact CD1-CD1 3.16Å; Y37-I86 HydrophobicContact CD1-CG1 4.15Å; Y37-I86 HydrophobicContact CD2-CD1 4.13Å; Y37-I86 HydrophobicContact CE1-CD1 3.28Å; Y37-I86 HydrophobicContact CE1-CG1 3.76Å; Y37-I86 HydrophobicContact CE2-CD1 4.3Å; Y37-I86 HydrophobicContact CG-CD1 3.55Å; Y37-I132 HydrophobicContact CD1-CD1 4.15Å; Y37-I132 HydrophobicContact CE1-CD1 3.87Å
38	S	49.3	Very low	44	Very low	24 Å²	24	65.1 Å²	65.1	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.4	173.5	-176.2	0	0	0	0	108	C24 I25	C24-S38 CarbonylContact C-O 3.59Å; C24-S38 VanDerWaalsContact CA-O 3.26Å; C24-S38 WeakPolarHBondContact CA-O 3.45Å; I25-S38 PolarHBondContact N-O 2.9Å; I25-S38 PolarHBondContact O-N 3.3Å
39	C	44.3	Very low	44	Very low	21 Å²	21	66.9 Å²	66.9	14%	0.142	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.5	172.2	-80.7	0	0	0	0	110.7	C24 Y37 P56 I84	C24-C39 HydrophobicContact CB-CB 4.21Å; C24-C39 WeakPolarHBondContact CB-SG 3.1Å; C24-C39 WeakPolarHBondContact SG-CB 3.15Å; C24-C39 CovalentContact SG-SG 2.04Å; C24-C39 PolarHBondContact SG-SG 2.87Å; Y37-C39 HydrophobicContact CE1-CB 4.36Å; Y37-C39 WeakPolarHBondContact CE1-SG 3.21Å; Y37-C39 PolarHBondContact OH-SG 2.87Å; C39-P56 VanDerWaalsContact O-CD 3.32Å; C39-P56 WeakPolarHBondContact O-CD 2.94Å; C39-I84 HydrophobicContact CB-CD1 3.98Å; C39-I84 WeakPolarHBondContact SG-CD1 3.32Å
40	E	47.4	Very low	43.9	Very low	25 Å²	25	75 Å²	75	12%	0.117	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117	169.8	-171.7	177	-165.1	0	0	107.7	S22 L23 C54 F55 K58	S22-E40 CarbonylContact C-O 3.48Å; S22-E40 VanDerWaalsContact CA-O 3.28Å; S22-E40 WeakPolarHBondContact CA-O 3.3Å; L23-E40 PolarHBondContact N-O 2.86Å; L23-E40 PolarHBondContact O-N 2.86Å; E40-C54 HydrophobicContact CG-CB 3.52Å; E40-C54 WeakPolarHBondContact OE1-CB 3.29Å; E40-C54 PolarHBondContact OE1-SG 3.38Å; E40-C54 VanDerWaalsContact OE1-SG 3.34Å; E40-F55 CarbonylContact C-O 3.56Å; E40-F55 WeakPolarHBondContact CA-O 3.05Å; E40-K58 VanDerWaalsContact CD-NZ 3.29Å; E40-K58 VanDerWaalsContact OE1-CE 3.25Å; E40-K58 WeakPolarHBondContact OE1-CE 3.37Å; E40-K58 IonicContact OE1-NZ 2.66Å; E40-K58 PolarHBondContact OE1-NZ 2.83Å; E40-K58 VanDerWaalsContact OE1-NZ 3.12Å; E40-K58 VanDerWaalsContact OE2-CE 3.25Å; E40-K58 WeakPolarHBondContact OE2-CE 3.46Å; E40-K58 IonicContact OE2-NZ 3.04Å; E40-K58 PolarHBondContact OE2-NZ 3.22Å
41	A	40.6	Very low	43.7	Very low	11 Å²	11	78.3 Å²	78.3	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111	173.7	0	0	0	0	0	109.5	V20 C54 F55 K134	V20-A41 HydrophobicContact CG1-CB 4.16Å; A41-C54 CarbonylContact O-C 3.29Å; A41-C54 WeakPolarHBondContact O-CA 3.16Å; A41-F55 PolarHBondContact N-O 3.27Å; A41-F55 PolarHBondContact O-N 3.14Å; A41-K134 HydrophobicContact CB-CD 4.48Å
42	C	42.3	Very low	43.9	Very low	7 Å²	7	72.9 Å²	72.9	5%	0.047	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.2	-176.6	-62.1	0	0	0	0	112.2	V20 R21 E52 C54	V20-C42 WeakPolarHBondContact CA-O 3.39Å; R21-C42 PolarHBondContact N-O 2.83Å; R21-C42 WeakPolarHBondContact O-CB 3.27Å; R21-C42 PolarHBondContact O-N 2.81Å; C42-E52 HydrophobicContact CB-CG 3.5Å; C42-E52 VanDerWaalsContact CB-CG 3.5Å; C42-E52 WeakPolarHBondContact CB-OE1 3.42Å; C42-C54 HydrophobicContact CB-CB 4.16Å; C42-C54 WeakPolarHBondContact CB-SG 3.46Å; C42-C54 WeakPolarHBondContact SG-CB 3.46Å; C42-C54 CovalentContact SG-SG 2.05Å; C42-C54 PolarHBondContact SG-SG 3.26Å
43	L	37.6	Very low	43.7	Very low	38 Å²	38	69.7 Å²	69.7	20%	0.199	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122	172.3	-57.3	-177.7	0	0	0	109.9	L17 V20 E52 H53 F55	L17-L43 HydrophobicContact CD2-CB 4.28Å; L17-L43 HydrophobicContact CD2-CD1 3.96Å; L17-L43 HydrophobicContact CD2-CD2 4.32Å; L17-L43 HydrophobicContact CD2-CG 4.42Å; V20-L43 HydrophobicContact CB-CD2 4.5Å; V20-L43 HydrophobicContact CG1-CD2 4.44Å; V20-L43 HydrophobicContact CG2-CD2 3.73Å; L43-E52 WeakPolarHBondContact O-CA 3.4Å; L43-H53 HydrophobicContact CB-CB 4.49Å; L43-H53 PolarHBondContact N-O 2.82Å; L43-H53 PolarHBondContact O-N 2.83Å; L43-F55 HydrophobicContact CD1-CD2 4.19Å; L43-F55 HydrophobicContact CD1-CE2 3.57Å; L43-F55 HydrophobicContact CD1-CZ 4.49Å; L43-F55 HydrophobicContact CG-CD2 4.22Å; L43-F55 HydrophobicContact CG-CE2 3.98Å
44	L	38.4	Very low	43.6	Very low	77 Å²	77	63.9 Å²	63.9	40%	0.403	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112.8	167.5	-155.4	95.4	0	0	0	109.6	K19 A46	K19-L44 PolarHBondContact O-N 3.4Å; L44-A46 PolarHBondContact O-N 3.08Å
45	I	39.5	Very low	43.5	Very low	69 Å²	69	67.3 Å²	67.3	35%	0.354	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.9	177.1	-56.6	176	0	0	0	108.8	N47 V48 R51	I45-N47 PolarHBondContact O-N 3.43Å; I45-V48 HydrophobicContact CG2-CB 4.44Å; I45-V48 HydrophobicContact CG2-CG2 4.21Å; I45-V48 CarbonylContact O-C 3.59Å; I45-V48 PolarHBondContact O-N 3.26Å; I45-V48 VanDerWaalsContact O-O 3.13Å; I45-R51 PolarHBondContact N-O 2.83Å
46	A	41	Very low	43.3	Very low	43 Å²	43	67.9 Å²	67.9	36%	0.355	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19	-169.7	0	0	0	0	0	115.5	N18 L44	N18-A46 HydrophobicContact CB-CB 4.18Å; L44-A46 PolarHBondContact O-N 3.08Å
47	N	44.5	Very low	42.9	Very low	148 Å²	148	67 Å²	67	79%	0.791	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-0.5	178.8	-66.7	-15	0	0	0	113.7	I45	I45-N47 PolarHBondContact O-N 3.43Å
48	V	39.6	Very low	42.7	Very low	64 Å²	64	72.7 Å²	72.7	39%	0.388	36%	0.359	S	S	.	.	S	Bend	trans	-131.1	82.9	174.4	-169.3	0	0	0	0	106.2	I45 R50 R51	I45-V48 HydrophobicContact CG2-CB 4.44Å; I45-V48 HydrophobicContact CG2-CG2 4.21Å; I45-V48 CarbonylContact O-C 3.59Å; I45-V48 PolarHBondContact O-N 3.26Å; I45-V48 VanDerWaalsContact O-O 3.13Å; V48-R50 PolarHBondContact O-N 3.45Å; V48-R51 HydrophobicContact CB-CB 4.31Å; V48-R51 HydrophobicContact CG1-CB 3.96Å; V48-R51 HydrophobicContact CG1-CG 3.76Å; V48-R51 PolarHBondContact O-N 3.05Å
49	V	45.3	Very low	42.4	Very low	125 Å²	125	82.4 Å²	82.4	76%	0.758	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-2.1	-171.1	-173	0	0	0	0	115.2
50	R	44.4	Very low	42	Very low	237 Å²	237	84.7 Å²	84.7	89%	0.894	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	4.1	-177.1	-63.5	-173.5	176.4	-177.6	-1.7	115.7	V48	V48-R50 PolarHBondContact O-N 3.45Å
51	R	40.2	Very low	41.4	Very low	171 Å²	171	86.9 Å²	86.9	65%	0.645	42%	0.424	S	S	*	.			trans	-103.9	99.4	176.4	-74.6	-169.3	-176.1	-177.4	1.2	110	I45 V48	I45-R51 PolarHBondContact N-O 2.83Å; V48-R51 HydrophobicContact CB-CB 4.31Å; V48-R51 HydrophobicContact CG1-CB 3.96Å; V48-R51 HydrophobicContact CG1-CG 3.76Å; V48-R51 PolarHBondContact O-N 3.05Å
52	E	44.2	Very low	41.1	Very low	106 Å²	106	88.7 Å²	88.7	50%	0.495	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.6	162.9	-166.2	171.2	-159.3	0	0	107	C42 L43	C42-E52 HydrophobicContact CB-CG 3.5Å; C42-E52 VanDerWaalsContact CB-CG 3.5Å; C42-E52 WeakPolarHBondContact CB-OE1 3.42Å; L43-E52 WeakPolarHBondContact O-CA 3.4Å
53	H	42.5	Very low	41	Very low	73 Å²	73	90.7 Å²	90.7	34%	0.338	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	98.6	174.1	-155.6	34.1	0	0	0	107.8	L43 F55 D57	L43-H53 HydrophobicContact CB-CB 4.49Å; L43-H53 PolarHBondContact N-O 2.82Å; L43-H53 PolarHBondContact O-N 2.83Å; H53-F55 HydrophobicContact CB-CE2 4.28Å; H53-F55 AromaticContact CD2-CE2 3.62Å; H53-F55 AromaticContact CD2-CZ 3.26Å; H53-F55 WeakPolarHBondContact CD2-CZ 3.14Å; H53-F55 AromaticContact NE2-CZ 3.61Å; H53-D57 IonicContact CE1-OD2 3.3Å; H53-D57 PolarHBondContact CE1-OD2 3.15Å; H53-D57 VanDerWaalsContact CE1-OD2 3.3Å; H53-D57 IonicContact ND1-OD2 3.75Å
54	C	44.4	Very low	41.3	Very low	15 Å²	15	89.7 Å²	89.7	10%	0.101	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	147.2	179.4	-60.8	0	0	0	0	111	E40 A41 C42 P56 D57	E40-C54 HydrophobicContact CG-CB 3.52Å; E40-C54 WeakPolarHBondContact OE1-CB 3.29Å; E40-C54 PolarHBondContact OE1-SG 3.38Å; E40-C54 VanDerWaalsContact OE1-SG 3.34Å; A41-C54 CarbonylContact O-C 3.29Å; A41-C54 WeakPolarHBondContact O-CA 3.16Å; C42-C54 HydrophobicContact CB-CB 4.16Å; C42-C54 WeakPolarHBondContact CB-SG 3.46Å; C42-C54 WeakPolarHBondContact SG-CB 3.46Å; C42-C54 CovalentContact SG-SG 2.05Å; C42-C54 PolarHBondContact SG-SG 3.26Å; C54-P56 CarbonylContact C-O 3.37Å; C54-P56 CarbonylContact O-C 3.44Å; C54-P56 VanDerWaalsContact O-C 3.3Å; C54-D57 WeakPolarHBondContact O-CA 3.24Å; C54-D57 VanDerWaalsContact O-CB 3.24Å; C54-D57 WeakPolarHBondContact O-CB 3.47Å; C54-D57 PolarHBondContact O-N 3.38Å
55	F	43.9	Very low	41.7	Very low	92 Å²	92	86.4 Å²	86.4	40%	0.404	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.4	175.7	-67.8	-84.6	0	0	0	107.6	E40 A41 L43 H53	E40-F55 CarbonylContact C-O 3.56Å; E40-F55 WeakPolarHBondContact CA-O 3.05Å; A41-F55 PolarHBondContact N-O 3.27Å; A41-F55 PolarHBondContact O-N 3.14Å; L43-F55 HydrophobicContact CD1-CD2 4.19Å; L43-F55 HydrophobicContact CD1-CE2 3.57Å; L43-F55 HydrophobicContact CD1-CZ 4.49Å; L43-F55 HydrophobicContact CG-CD2 4.22Å; L43-F55 HydrophobicContact CG-CE2 3.98Å; H53-F55 HydrophobicContact CB-CE2 4.28Å; H53-F55 AromaticContact CD2-CE2 3.62Å; H53-F55 AromaticContact CD2-CZ 3.26Å; H53-F55 WeakPolarHBondContact CD2-CZ 3.14Å; H53-F55 AromaticContact NE2-CZ 3.61Å
56	P	44.4	Very low	42.2	Very low	20 Å²	20	83.5 Å²	83.5	13%	0.13	41%	0.407	C	S	.	.	S	Bend	cis	-60.3	138.8	-5.6	30	-40	0	0	0	113.5	C39 C54 K58 T62 Q63 A64	C39-P56 VanDerWaalsContact O-CD 3.32Å; C39-P56 WeakPolarHBondContact O-CD 2.94Å; C54-P56 CarbonylContact C-O 3.37Å; C54-P56 CarbonylContact O-C 3.44Å; C54-P56 VanDerWaalsContact O-C 3.3Å; P56-K58 PolarHBondContact O-N 3.05Å; P56-K58 VanDerWaalsContact O-N 3.16Å; P56-T62 WeakPolarHBondContact CB-O 3.03Å; P56-Q63 HydrophobicContact CG-CB 4.32Å; P56-Q63 HydrophobicContact CG-CG 4.43Å; P56-A64 HydrophobicContact CB-CB 4.47Å; P56-A64 HydrophobicContact CG-CB 4.41Å; P56-A64 VanDerWaalsContact CG-N 3.27Å
57	D	40.5	Very low	42.7	Very low	28 Å²	28	82.3 Å²	82.3	15%	0.15	40%	0.396	C	S	.	.			trans	-71.8	110.9	176.8	172.7	2.3	0	0	0	107.8	H53 C54 R59 T60	H53-D57 IonicContact CE1-OD2 3.3Å; H53-D57 PolarHBondContact CE1-OD2 3.15Å; H53-D57 VanDerWaalsContact CE1-OD2 3.3Å; H53-D57 IonicContact ND1-OD2 3.75Å; C54-D57 WeakPolarHBondContact O-CA 3.24Å; C54-D57 VanDerWaalsContact O-CB 3.24Å; C54-D57 WeakPolarHBondContact O-CB 3.47Å; C54-D57 PolarHBondContact O-N 3.38Å; D57-R59 PolarHBondContact O-N 3.19Å; D57-R59 VanDerWaalsContact OD1-CB 3.29Å; D57-R59 WeakPolarHBondContact OD1-CB 3.42Å; D57-R59 PolarHBondContact OD1-N 2.8Å; D57-T60 HydrophobicContact CB-CG2 4.37Å; D57-T60 WeakPolarHBondContact CB-OG1 3.44Å; D57-T60 CarbonylContact O-C 3.42Å; D57-T60 VanDerWaalsContact O-C 3.29Å; D57-T60 WeakPolarHBondContact O-CA 3.04Å; D57-T60 PolarHBondContact O-N 2.72Å; D57-T60 PolarHBondContact O-OG1 2.79Å
58	K	43.7	Very low	43	Very low	132 Å²	132	75.5 Å²	75.5	57%	0.574	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-22.3	179.2	-68.9	176.7	-178.2	146.2	0	114.3	E40 P56	E40-K58 VanDerWaalsContact CD-NZ 3.29Å; E40-K58 VanDerWaalsContact OE1-CE 3.25Å; E40-K58 WeakPolarHBondContact OE1-CE 3.37Å; E40-K58 IonicContact OE1-NZ 2.66Å; E40-K58 PolarHBondContact OE1-NZ 2.83Å; E40-K58 VanDerWaalsContact OE1-NZ 3.12Å; E40-K58 VanDerWaalsContact OE2-CE 3.25Å; E40-K58 WeakPolarHBondContact OE2-CE 3.46Å; E40-K58 IonicContact OE2-NZ 3.04Å; E40-K58 PolarHBondContact OE2-NZ 3.22Å; P56-K58 PolarHBondContact O-N 3.05Å; P56-K58 VanDerWaalsContact O-N 3.16Å
59	R	41.2	Very low	43.4	Very low	228 Å²	228	76.6 Å²	76.6	86%	0.86	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-31.7	176.5	-59.4	-179.6	-177	-176.2	1.7	112.5	D57	D57-R59 PolarHBondContact O-N 3.19Å; D57-R59 VanDerWaalsContact OD1-CB 3.29Å; D57-R59 WeakPolarHBondContact OD1-CB 3.42Å; D57-R59 PolarHBondContact OD1-N 2.8Å
60	T	37.6	Very low	43.6	Very low	69 Å²	69	71.8 Å²	71.8	42%	0.423	33%	0.334	S	S	.	.	S	Bend	trans	-88.4	109.4	166.7	63	0	0	0	0	106.1	D57 T62	D57-T60 HydrophobicContact CB-CG2 4.37Å; D57-T60 WeakPolarHBondContact CB-OG1 3.44Å; D57-T60 CarbonylContact O-C 3.42Å; D57-T60 VanDerWaalsContact O-C 3.29Å; D57-T60 WeakPolarHBondContact O-CA 3.04Å; D57-T60 PolarHBondContact O-N 2.72Å; D57-T60 PolarHBondContact O-OG1 2.79Å; T60-T62 PolarHBondContact O-N 3.19Å
61	S	34.4	Very low	43.8	Very low	72 Å²	72	62.4 Å²	62.4	50%	0.503	30%	0.304	S	S	.	.	S	Bend	trans	-48.9	-1.7	-174	37	0	0	0	0	117.8	Q63 D104	S61-Q63 PolarHBondContact O-N 3.35Å; S61-Q63 VanDerWaalsContact O-N 3.07Å; S61-D104 WeakPolarHBondContact O-CA 3.45Å; S61-D104 WeakPolarHBondContact O-CB 2.95Å; S61-D104 PolarHBondContact O-N 2.6Å
62	T	33.6	Very low	44.4	Very low	49 Å²	49	55.4 Å²	55.4	30%	0.301	28%	0.278	S	S	.	.			trans	-76.2	77	172.5	26.4	0	0	0	0	112.8	P56 T60 A64 I102 D103	P56-T62 WeakPolarHBondContact CB-O 3.03Å; T60-T62 PolarHBondContact O-N 3.19Å; T62-A64 PolarHBondContact O-N 3.46Å; T62-I102 HydrophobicContact CG2-CG2 3.92Å; T62-D103 VanDerWaalsContact CG2-OD1 3.27Å; T62-D103 WeakPolarHBondContact CG2-OD1 3.21Å
63	Q	39.4	Very low	44.7	Very low	49 Å²	49	56.6 Å²	56.6	23%	0.229	28%	0.284	C	S	.	.			trans	-68.5	121.2	162.1	-72.8	-178.8	-5.7	0	0	109.8	P56 S61 D103 V105	P56-Q63 HydrophobicContact CG-CB 4.32Å; P56-Q63 HydrophobicContact CG-CG 4.43Å; S61-Q63 PolarHBondContact O-N 3.35Å; S61-Q63 VanDerWaalsContact O-N 3.07Å; Q63-D103 PolarHBondContact O-N 2.98Å; Q63-V105 HydrophobicContact CB-CG2 4.31Å
64	A	44.1	Very low	45.2	Very low	16 Å²	16	55.4 Å²	55.4	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.6	166.3	0	0	0	0	0	109.7	P56 T62 Y100 W101	P56-A64 HydrophobicContact CB-CB 4.47Å; P56-A64 HydrophobicContact CG-CB 4.41Å; P56-A64 VanDerWaalsContact CG-N 3.27Å; T62-A64 PolarHBondContact O-N 3.46Å; A64-Y100 HydrophobicContact CB-CE2 4.33Å; A64-W101 CarbonylContact C-O 3.58Å; A64-W101 WeakPolarHBondContact CA-O 3.45Å
65	E	47.9	Very low	45.7	Very low	9 Å²	9	58.4 Å²	58.4	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.5	174.9	-68.6	-169	-174.9	0	0	109.4	W101 V105 R109	E65-W101 HydrophobicContact CB-CB 4.49Å; E65-W101 PolarHBondContact N-O 3.07Å; E65-W101 VanDerWaalsContact N-O 3.12Å; E65-W101 PolarHBondContact O-N 2.72Å; E65-V105 HydrophobicContact CB-CG2 4.2Å; E65-V105 HydrophobicContact CG-CB 4.47Å; E65-V105 HydrophobicContact CG-CG2 3.85Å; E65-V105 WeakPolarHBondContact OE2-CG1 2.92Å; E65-R109 IonicContact OE1-NH2 3.4Å; E65-R109 PolarHBondContact OE1-NH2 2.77Å; E65-R109 IonicContact OE2-CZ 2.68Å; E65-R109 IonicContact OE2-NH2 3.12Å; E65-R109 PolarHBondContact OE2-NH2 3.3Å
66	I	49.9	Very low	46.1	Very low	8 Å²	8	58.9 Å²	58.9	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.8	168.7	-69	163.1	0	0	0	106.9	Y37 V68 L98 Y100 I132 L139	Y37-I66 CarbonylContact C-O 3.48Å; Y37-I66 WeakPolarHBondContact CA-O 3.1Å; Y37-I66 WeakPolarHBondContact CB-O 3.39Å; Y37-I66 PolarHBondContact N-O 2.99Å; Y37-I66 CarbonylContact O-C 3.3Å; Y37-I66 WeakPolarHBondContact O-CA 3.2Å; Y37-I66 PolarHBondContact O-N 3.27Å; I66-V68 HydrophobicContact CG2-CG2 4.19Å; I66-L98 HydrophobicContact CG2-CD1 3.32Å; I66-L98 HydrophobicContact CG2-CG 4.44Å; I66-Y100 HydrophobicContact CD1-CD2 4.45Å; I66-Y100 HydrophobicContact CG1-CD2 3.71Å; I66-Y100 HydrophobicContact CG1-CE2 4.29Å; I66-I132 HydrophobicContact CD1-CB 4.33Å; I66-I132 HydrophobicContact CD1-CD1 3.14Å; I66-I132 HydrophobicContact CD1-CG1 3.39Å; I66-I132 HydrophobicContact CD1-CG2 3.97Å; I66-L139 HydrophobicContact CD1-CD2 3.88Å; I66-L139 HydrophobicContact CG1-CD2 4.5Å
67	V	50.8	Low	46.4	Very low	18 Å²	18	61.1 Å²	61.1	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.9	177.8	-178.1	0	0	0	0	108	K69 E99	V67-K69 HydrophobicContact CG1-CD 4.36Å; V67-K69 HydrophobicContact CG1-CG 3.8Å; V67-E99 HydrophobicContact CB-CB 4.48Å; V67-E99 PolarHBondContact N-O 3.03Å; V67-E99 PolarHBondContact O-N 3Å
68	V	50.7	Low	47.1	Very low	4 Å²	4	62.8 Å²	62.8	2%	0.024	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.2	176.2	-172.1	0	0	0	0	107.6	G35 I66 F72 F88 A96 L97 L98	G35-V68 PolarHBondContact N-O 2.85Å; G35-V68 CarbonylContact O-C 3.5Å; G35-V68 PolarHBondContact O-N 3.1Å; I66-V68 HydrophobicContact CG2-CG2 4.19Å; V68-F72 HydrophobicContact CB-CD1 4.45Å; V68-F72 HydrophobicContact CB-CE1 3.97Å; V68-F72 HydrophobicContact CB-CZ 4.16Å; V68-F72 HydrophobicContact CG1-CD1 3.71Å; V68-F72 HydrophobicContact CG1-CE1 3.73Å; V68-F72 HydrophobicContact CG1-CG 4.29Å; V68-F72 HydrophobicContact CG1-CZ 4.25Å; V68-F72 WeakPolarHBondContact O-CE1 3.46Å; V68-F88 HydrophobicContact CB-CE1 4.44Å; V68-F88 HydrophobicContact CB-CZ 4.3Å; V68-F88 HydrophobicContact CG1-CE1 4.3Å; V68-F88 HydrophobicContact CG1-CZ 4.28Å; V68-F88 HydrophobicContact CG2-CE1 4.23Å; V68-F88 HydrophobicContact CG2-CE2 4.23Å; V68-F88 HydrophobicContact CG2-CZ 3.63Å; V68-A96 HydrophobicContact CG1-CB 4.34Å; V68-L97 CarbonylContact C-O 3.55Å; V68-L97 WeakPolarHBondContact CA-O 3.39Å; V68-L98 HydrophobicContact CG2-CD1 3.7Å
69	K	48.6	Very low	47.7	Very low	88 Å²	88	60.2 Å²	60.2	38%	0.383	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.9	180	-57.9	-179.8	176.1	161.1	0	110.4	V67 A96 L97 E99	V67-K69 HydrophobicContact CG1-CD 4.36Å; V67-K69 HydrophobicContact CG1-CG 3.8Å; K69-A96 CarbonylContact O-C 3.55Å; K69-A96 WeakPolarHBondContact O-CA 3.41Å; K69-L97 HydrophobicContact CB-CB 4.21Å; K69-L97 HydrophobicContact CD-CD2 4.46Å; K69-L97 PolarHBondContact N-O 3.09Å; K69-L97 PolarHBondContact O-N 2.85Å; K69-E99 WeakPolarHBondContact CD-OE2 3.35Å; K69-E99 WeakPolarHBondContact CE-OE2 3.05Å; K69-E99 IonicContact NZ-OE2 3.17Å; K69-E99 PolarHBondContact NZ-OE2 3.18Å
70	G	48.6	Very low	48.5	Very low	23 Å²	23	53.4 Å²	53.4	24%	0.237	30%	0.296	C	S	.	.	S	Bend	trans	116.9	173.9	178	0	0	0	0	0	112.1	F72	G70-F72 WeakPolarHBondContact O-CD1 3.17Å; G70-F72 WeakPolarHBondContact O-CE1 3.39Å; G70-F72 PolarHBondContact O-N 3.04Å; G70-F72 VanDerWaalsContact O-N 3.08Å
71	P	49	Very low	49	Very low	40 Å²	40	51.9 Å²	51.9	26%	0.26	29%	0.294	S	S	.	.	S	Bend	trans	-77.8	99	-177.3	31.5	-32.8	0	0	0	110.5	N91 H94	P71-N91 PolarHBondContact O-N 2.81Å; P71-H94 HydrophobicContact CG-CB 3.37Å; P71-H94 VanDerWaalsContact CG-CG 3.43Å; P71-H94 WeakPolarHBondContact CG-ND1 3.46Å
72	F	52.6	Low	49.8	Very low	25 Å²	25	52.3 Å²	52.3	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.7	170.4	61.9	-89.1	0	0	0	110.2	V68 G70 F88	V68-F72 HydrophobicContact CB-CD1 4.45Å; V68-F72 HydrophobicContact CB-CE1 3.97Å; V68-F72 HydrophobicContact CB-CZ 4.16Å; V68-F72 HydrophobicContact CG1-CD1 3.71Å; V68-F72 HydrophobicContact CG1-CE1 3.73Å; V68-F72 HydrophobicContact CG1-CG 4.29Å; V68-F72 HydrophobicContact CG1-CZ 4.25Å; V68-F72 WeakPolarHBondContact O-CE1 3.46Å; G70-F72 WeakPolarHBondContact O-CD1 3.17Å; G70-F72 WeakPolarHBondContact O-CE1 3.39Å; G70-F72 PolarHBondContact O-N 3.04Å; G70-F72 VanDerWaalsContact O-N 3.08Å; F72-F88 HydrophobicContact CB-CB 4.28Å; F72-F88 HydrophobicContact CB-CD1 4.3Å; F72-F88 AromaticContact CD2-CD1 3.39Å; F72-F88 HydrophobicContact CD2-CD1 3.39Å; F72-F88 AromaticContact CD2-CE1 3.82Å; F72-F88 HydrophobicContact CD2-CE1 3.82Å; F72-F88 HydrophobicContact CD2-CG 4.44Å; F72-F88 AromaticContact CE2-CD1 3.9Å; F72-F88 HydrophobicContact CE2-CD1 3.9Å; F72-F88 AromaticContact CE2-CE1 3.82Å; F72-F88 HydrophobicContact CE2-CE1 3.82Å; F72-F88 AromaticContact CG-CD1 3.96Å; F72-F88 HydrophobicContact CG-CD1 3.96Å
73	Q	51.9	Low	50.5	Low	130 Å²	130	52.4 Å²	52.4	61%	0.607	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.5	162.6	177.8	179	-1.1	0	0	107.8	V75 F88 N89	Q73-V75 PolarHBondContact O-N 2.75Å; Q73-F88 CarbonylContact O-C 3.49Å; Q73-F88 WeakPolarHBondContact O-CA 3.08Å; Q73-N89 HydrophobicContact CB-CB 4.27Å; Q73-N89 PolarHBondContact N-O 2.68Å; Q73-N89 PolarHBondContact O-N 3.17Å
74	L	51.7	Low	51.1	Low	48 Å²	48	50.3 Å²	50.3	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124.3	170	-178.3	67.3	0	0	0	108.6	V26 I28 T77 I86 F88	V26-L74 HydrophobicContact CG1-CD2 3.86Å; V26-L74 HydrophobicContact CG2-CD2 4.32Å; I28-L74 HydrophobicContact CD1-CB 4.15Å; I28-L74 HydrophobicContact CD1-CD2 4.21Å; L74-T77 HydrophobicContact CD1-CG2 4.24Å; L74-I86 HydrophobicContact CD1-CG2 3.41Å; L74-I86 VanDerWaalsContact CD1-CG2 3.41Å; L74-F88 HydrophobicContact CD1-CD1 4.08Å; L74-F88 HydrophobicContact CD1-CE1 3.88Å
75	V	54.6	Low	51.6	Low	78 Å²	78	52 Å²	52	47%	0.473	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-55.7	178.9	179.4	0	0	0	0	109.4	Q73 E87 N89	Q73-V75 PolarHBondContact O-N 2.75Å; V75-E87 HydrophobicContact CB-CB 4.21Å; V75-E87 HydrophobicContact CB-CG 4.15Å; V75-E87 PolarHBondContact N-O 3.3Å; V75-N89 HydrophobicContact CG2-CB 3.87Å
76	E	52.2	Low	51.9	Low	103 Å²	103	51.6 Å²	51.6	48%	0.481	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.8	-174.8	-167.2	172.4	-160.4	0	0	111.5	I78 E87	E76-I78 HydrophobicContact CG-CD1 4.49Å; E76-I78 HydrophobicContact CG-CG1 3.88Å; E76-E87 PolarHBondContact N-O 3.47Å; E76-E87 PolarHBondContact O-N 2.89Å
77	T	50.6	Low	52.2	Low	66 Å²	66	53.8 Å²	53.8	41%	0.405	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.6	165.1	48.8	0	0	0	0	109.3	V26 Y37 L74 Y85 I86	V26-T77 HydrophobicContact CG2-CG2 4.46Å; Y37-T77 HydrophobicContact CE2-CG2 4.04Å; L74-T77 HydrophobicContact CD1-CG2 4.24Å; T77-Y85 CarbonylContact C-O 3.44Å; T77-Y85 WeakPolarHBondContact CA-O 3.27Å; T77-I86 HydrophobicContact CG2-CG2 4.08Å
78	I	56	Low	52.4	Low	64 Å²	64	53.4 Å²	53.4	33%	0.328	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.9	180	-54	170.8	0	0	0	108.8	E76 I84 Y85	E76-I78 HydrophobicContact CG-CD1 4.49Å; E76-I78 HydrophobicContact CG-CG1 3.88Å; I78-I84 WeakPolarHBondContact O-CA 3.05Å; I78-Y85 HydrophobicContact CB-CD2 4.41Å; I78-Y85 PolarHBondContact N-O 2.91Å; I78-Y85 PolarHBondContact O-N 3.49Å
79	D	56	Low	52.4	Low	78 Å²	78	57.6 Å²	57.6	42%	0.417	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116	171.1	-176.9	-11.9	0	0	0	109.4	S22 G81 K134	S22-D79 VanDerWaalsContact CB-OD2 3.24Å; S22-D79 WeakPolarHBondContact CB-OD2 3.41Å; S22-D79 PolarHBondContact OG-OD2 2.86Å; D79-G81 PolarHBondContact OD1-N 2.52Å; D79-K134 VanDerWaalsContact CG-NZ 3.29Å; D79-K134 WeakPolarHBondContact OD1-CE 3.24Å; D79-K134 IonicContact OD1-NZ 3.99Å; D79-K134 PolarHBondContact OD1-NZ 3.19Å; D79-K134 IonicContact OD2-NZ 2.66Å; D79-K134 PolarHBondContact OD2-NZ 3.36Å; D79-K134 VanDerWaalsContact OD2-NZ 3.17Å
80	N	57.4	Low	52.5	Low	84 Å²	84	53.7 Å²	53.7	45%	0.449	30%	0.295	S	S	.	.			trans	-102	8.1	179.7	77.2	-1.6	0	0	0	113.7	T82 H83	N80-T82 PolarHBondContact OD1-N 3.25Å; N80-T82 PolarHBondContact OD1-OG1 3.42Å; N80-H83 PolarHBondContact N-O 3.04Å; N80-H83 PolarHBondContact OD1-N 2.91Å; N80-H83 PolarHBondContact OD1-O 2.93Å
81	G	49.1	Very low	52.4	Low	38 Å²	38	56 Å²	56	39%	0.392	30%	0.302	S	S	.	.	S	Bend	trans	100.3	-44.8	-175.9	0	0	0	0	0	113.7	D79 K134	D79-G81 PolarHBondContact OD1-N 2.52Å; G81-K134 WeakPolarHBondContact O-CD 3.35Å; G81-K134 WeakPolarHBondContact O-CE 3.27Å; G81-K134 PolarHBondContact O-NZ 3.12Å
82	T	51	Low	52.1	Low	80 Å²	80	58.8 Å²	58.8	49%	0.491	32%	0.321	S	S	.	.	S	Bend	trans	-101.4	-33.8	-179.3	54.8	0	0	0	0	113.2	N80 K134	N80-T82 PolarHBondContact OD1-N 3.25Å; N80-T82 PolarHBondContact OD1-OG1 3.42Å; T82-K134 WeakPolarHBondContact O-CB 3.29Å; T82-K134 VanDerWaalsContact O-CG 3.27Å; T82-K134 WeakPolarHBondContact O-CG 3.34Å; T82-K134 PolarHBondContact O-N 3.17Å
83	H	48.9	Very low	51.3	Low	52 Å²	52	65.7 Å²	65.7	24%	0.241	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.6	-177.8	-64.9	75.7	0	0	0	110.9	N80 Y85 I132	N80-H83 PolarHBondContact N-O 3.04Å; N80-H83 PolarHBondContact OD1-N 2.91Å; N80-H83 PolarHBondContact OD1-O 2.93Å; H83-Y85 HydrophobicContact CB-CD2 4.34Å; H83-Y85 HydrophobicContact CB-CE2 3.68Å; H83-I132 VanDerWaalsContact CA-O 3.24Å; H83-I132 WeakPolarHBondContact CA-O 3.42Å
84	I	51.2	Low	50.5	Low	4 Å²	4	64 Å²	64	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.5	169.3	-55.7	-176.7	0	0	0	106.8	C24 Y37 C39 I78 I86 I132 K134	C24-I84 WeakPolarHBondContact SG-CD1 3.26Å; Y37-I84 HydrophobicContact CE1-CG2 3.93Å; Y37-I84 WeakPolarHBondContact OH-CG2 3.13Å; C39-I84 HydrophobicContact CB-CD1 3.98Å; C39-I84 WeakPolarHBondContact SG-CD1 3.32Å; I78-I84 WeakPolarHBondContact O-CA 3.05Å; I84-I86 HydrophobicContact CG2-CG1 4.49Å; I84-I132 HydrophobicContact CB-CB 4.3Å; I84-I132 HydrophobicContact CB-CD1 4.26Å; I84-I132 HydrophobicContact CG2-CD1 4.32Å; I84-I132 PolarHBondContact N-O 2.84Å; I84-I132 PolarHBondContact O-N 2.74Å; I84-K134 HydrophobicContact CD1-CD 4.47Å; I84-K134 HydrophobicContact CD1-CG 4.3Å; I84-K134 HydrophobicContact CG1-CD 4.34Å; I84-K134 HydrophobicContact CG1-CG 4.13Å
85	Y	55.4	Low	50	Low	51 Å²	51	70 Å²	70	20%	0.2	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.5	174.3	-57.5	-88.8	0	0	0	108.8	T77 I78 H83 R129 I130 A131	T77-Y85 CarbonylContact C-O 3.44Å; T77-Y85 WeakPolarHBondContact CA-O 3.27Å; I78-Y85 HydrophobicContact CB-CD2 4.41Å; I78-Y85 PolarHBondContact N-O 2.91Å; I78-Y85 PolarHBondContact O-N 3.49Å; H83-Y85 HydrophobicContact CB-CD2 4.34Å; H83-Y85 HydrophobicContact CB-CE2 3.68Å; Y85-R129 HydrophobicContact CD1-CG 4.36Å; Y85-I130 CarbonylContact C-O 3.53Å; Y85-I130 VanDerWaalsContact CA-O 3.29Å; Y85-I130 WeakPolarHBondContact CA-O 2.81Å; Y85-A131 HydrophobicContact CD1-CB 3.7Å; Y85-A131 HydrophobicContact CE1-CB 3.55Å
86	I	54.1	Low	49.4	Very low	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.7	169.8	-42.2	169.6	0	0	0	107.4	Y37 L74 T77 I84 F88 R129 I130 I132	Y37-I86 HydrophobicContact CD1-CD1 3.16Å; Y37-I86 HydrophobicContact CD1-CG1 4.15Å; Y37-I86 HydrophobicContact CD2-CD1 4.13Å; Y37-I86 HydrophobicContact CE1-CD1 3.28Å; Y37-I86 HydrophobicContact CE1-CG1 3.76Å; Y37-I86 HydrophobicContact CE2-CD1 4.3Å; Y37-I86 HydrophobicContact CG-CD1 3.55Å; L74-I86 HydrophobicContact CD1-CG2 3.41Å; L74-I86 VanDerWaalsContact CD1-CG2 3.41Å; T77-I86 HydrophobicContact CG2-CG2 4.08Å; I84-I86 HydrophobicContact CG2-CG1 4.49Å; I86-F88 HydrophobicContact CB-CE2 3.64Å; I86-F88 HydrophobicContact CB-CZ 3.76Å; I86-F88 HydrophobicContact CD1-CZ 4.19Å; I86-F88 HydrophobicContact CG2-CD1 4.32Å; I86-F88 HydrophobicContact CG2-CD2 4.22Å; I86-F88 HydrophobicContact CG2-CE1 3.6Å; I86-F88 HydrophobicContact CG2-CE2 3.44Å; I86-F88 VanDerWaalsContact CG2-CE2 3.44Å; I86-F88 HydrophobicContact CG2-CZ 3.1Å; I86-R129 CarbonylContact O-C 3.55Å; I86-R129 WeakPolarHBondContact O-CA 3.39Å; I86-I130 PolarHBondContact N-O 3.37Å; I86-I130 PolarHBondContact O-N 2.79Å; I86-I132 HydrophobicContact CD1-CD1 3.76Å; I86-I132 HydrophobicContact CG1-CD1 4.15Å
87	E	55.1	Low	49.1	Very low	55 Å²	55	62.4 Å²	62.4	26%	0.257	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.4	177.6	-165.9	165.7	150.5	0	0	109.9	V75 E76 N128 R129	V75-E87 HydrophobicContact CB-CB 4.21Å; V75-E87 HydrophobicContact CB-CG 4.15Å; V75-E87 PolarHBondContact N-O 3.3Å; E76-E87 PolarHBondContact N-O 3.47Å; E76-E87 PolarHBondContact O-N 2.89Å; E87-N128 CarbonylContact C-O 3.54Å; E87-N128 WeakPolarHBondContact CA-O 3.13Å; E87-N128 VanDerWaalsContact CG-O 3.27Å; E87-N128 WeakPolarHBondContact CG-O 3.15Å; E87-R129 IonicContact OE2-CZ 3.5Å; E87-R129 IonicContact OE2-NE 3.49Å; E87-R129 PolarHBondContact OE2-NE 2.93Å; E87-R129 IonicContact OE2-NH2 2.74Å; E87-R129 PolarHBondContact OE2-NH2 2.68Å
88	F	55.2	Low	48.9	Very low	9 Å²	9	59.3 Å²	59.3	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.9	179.4	-55.5	-80.7	0	0	0	109.3	V68 F72 Q73 L74 I86 A90 N128 I130	V68-F88 HydrophobicContact CB-CE1 4.44Å; V68-F88 HydrophobicContact CB-CZ 4.3Å; V68-F88 HydrophobicContact CG1-CE1 4.3Å; V68-F88 HydrophobicContact CG1-CZ 4.28Å; V68-F88 HydrophobicContact CG2-CE1 4.23Å; V68-F88 HydrophobicContact CG2-CE2 4.23Å; V68-F88 HydrophobicContact CG2-CZ 3.63Å; F72-F88 HydrophobicContact CB-CB 4.28Å; F72-F88 HydrophobicContact CB-CD1 4.3Å; F72-F88 AromaticContact CD2-CD1 3.39Å; F72-F88 HydrophobicContact CD2-CD1 3.39Å; F72-F88 AromaticContact CD2-CE1 3.82Å; F72-F88 HydrophobicContact CD2-CE1 3.82Å; F72-F88 HydrophobicContact CD2-CG 4.44Å; F72-F88 AromaticContact CE2-CD1 3.9Å; F72-F88 HydrophobicContact CE2-CD1 3.9Å; F72-F88 AromaticContact CE2-CE1 3.82Å; F72-F88 HydrophobicContact CE2-CE1 3.82Å; F72-F88 AromaticContact CG-CD1 3.96Å; F72-F88 HydrophobicContact CG-CD1 3.96Å; Q73-F88 CarbonylContact O-C 3.49Å; Q73-F88 WeakPolarHBondContact O-CA 3.08Å; L74-F88 HydrophobicContact CD1-CD1 4.08Å; L74-F88 HydrophobicContact CD1-CE1 3.88Å; I86-F88 HydrophobicContact CB-CE2 3.64Å; I86-F88 HydrophobicContact CB-CZ 3.76Å; I86-F88 HydrophobicContact CD1-CZ 4.19Å; I86-F88 HydrophobicContact CG2-CD1 4.32Å; I86-F88 HydrophobicContact CG2-CD2 4.22Å; I86-F88 HydrophobicContact CG2-CE1 3.6Å; I86-F88 HydrophobicContact CG2-CE2 3.44Å; I86-F88 VanDerWaalsContact CG2-CE2 3.44Å; I86-F88 HydrophobicContact CG2-CZ 3.1Å; F88-A90 PolarHBondContact O-N 2.85Å; F88-N128 PolarHBondContact N-O 3.16Å; F88-N128 WeakPolarHBondContact O-CA 3.19Å; F88-N128 VanDerWaalsContact O-O 3.1Å; F88-I130 HydrophobicContact CD2-CD1 4.15Å; F88-I130 HydrophobicContact CD2-CG1 4.27Å; F88-I130 HydrophobicContact CE2-CD1 3.58Å; F88-I130 HydrophobicContact CE2-CG1 3.94Å
89	N	51.2	Low	48.3	Very low	93 Å²	93	56.8 Å²	56.8	50%	0.497	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	86.1	160.1	-163	-0	0	0	0	106.9	Q73 V75	Q73-N89 HydrophobicContact CB-CB 4.27Å; Q73-N89 PolarHBondContact N-O 2.68Å; Q73-N89 PolarHBondContact O-N 3.17Å; V75-N89 HydrophobicContact CG2-CB 3.87Å
90	A	50.1	Low	47.7	Very low	5 Å²	5	54 Å²	54	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.1	172.1	0	0	0	0	0	108.6	F88 P92 A96	F88-A90 PolarHBondContact O-N 2.85Å; A90-P92 WeakPolarHBondContact O-CD 3.41Å; A90-P92 VanDerWaalsContact O-N 3.15Å; A90-A96 HydrophobicContact CB-CB 4.17Å
91	N	46.5	Very low	47.1	Very low	71 Å²	71	50.5 Å²	50.5	38%	0.38	26%	0.26	S	S	.	.			trans	-62.1	120.2	170.7	-179.3	-20.8	0	0	0	107.9	P71 M93 H94	P71-N91 PolarHBondContact O-N 2.81Å; N91-M93 PolarHBondContact O-N 2.97Å; N91-M93 WeakPolarHBondContact OD1-CB 3.28Å; N91-M93 PolarHBondContact OD1-N 3.04Å; N91-M93 VanDerWaalsContact OD1-N 3.12Å; N91-H94 HydrophobicContact CB-CB 4.5Å; N91-H94 CarbonylContact O-C 3.6Å; N91-H94 PolarHBondContact O-N 2.46Å
92	P	43.8	Very low	46.7	Very low	100 Å²	100	52.8 Å²	52.8	65%	0.649	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.4	-173.7	21.4	-32.3	0	0	0	113.9	A90 H94 N126	A90-P92 WeakPolarHBondContact O-CD 3.41Å; A90-P92 VanDerWaalsContact O-N 3.15Å; P92-H94 VanDerWaalsContact C-N 3.33Å; P92-N126 PolarHBondContact O-ND2 2.76Å
93	M	34.9	Very low	46.1	Very low	170 Å²	170	51.9 Å²	51.9	84%	0.837	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.4	173.9	-66.3	-114.6	-140.4	0	0	113.9	N91	N91-M93 PolarHBondContact O-N 2.97Å; N91-M93 WeakPolarHBondContact OD1-CB 3.28Å; N91-M93 PolarHBondContact OD1-N 3.04Å; N91-M93 VanDerWaalsContact OD1-N 3.12Å
94	H	36.2	Very low	45.6	Very low	95 Å²	95	52 Å²	52	44%	0.44	26%	0.257	S	S	.	.	S	Bend	trans	-129.6	120.7	-175.9	-68.1	-117.6	0	0	0	110	P71 N91 P92 A96	P71-H94 HydrophobicContact CG-CB 3.37Å; P71-H94 VanDerWaalsContact CG-CG 3.43Å; P71-H94 WeakPolarHBondContact CG-ND1 3.46Å; N91-H94 HydrophobicContact CB-CB 4.5Å; N91-H94 CarbonylContact O-C 3.6Å; N91-H94 PolarHBondContact O-N 2.46Å; P92-H94 VanDerWaalsContact C-N 3.33Å; H94-A96 PolarHBondContact O-N 2.04Å; H94-A96 VanDerWaalsContact O-N 3.14Å
95	Y	39.4	Very low	44.9	Very low	172 Å²	172	52.4 Å²	52.4	68%	0.675	26%	0.26	S	S	*	.			trans	-61.6	118.7	170.7	-64.1	-74.7	0	0	0	109.7	L97	Y95-L97 PolarHBondContact O-N 2.79Å
96	A	43.7	Very low	44.2	Very low	2 Å²	2	53.1 Å²	53.1	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.2	159.8	0	0	0	0	0	106.9	V68 K69 A90 H94 G125	V68-A96 HydrophobicContact CG1-CB 4.34Å; K69-A96 CarbonylContact O-C 3.55Å; K69-A96 WeakPolarHBondContact O-CA 3.41Å; A90-A96 HydrophobicContact CB-CB 4.17Å; H94-A96 PolarHBondContact O-N 2.04Å; H94-A96 VanDerWaalsContact O-N 3.14Å; A96-G125 VanDerWaalsContact O-O 3.13Å
97	L	45.2	Very low	43.3	Very low	21 Å²	21	59.1 Å²	59.1	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114	176.8	179.7	66.6	0	0	0	109	V68 K69 Y95 E99 R122 T124	V68-L97 CarbonylContact C-O 3.55Å; V68-L97 WeakPolarHBondContact CA-O 3.39Å; K69-L97 HydrophobicContact CB-CB 4.21Å; K69-L97 HydrophobicContact CD-CD2 4.46Å; K69-L97 PolarHBondContact N-O 3.09Å; K69-L97 PolarHBondContact O-N 2.85Å; Y95-L97 PolarHBondContact O-N 2.79Å; L97-E99 HydrophobicContact CD1-CG 4.44Å; L97-E99 HydrophobicContact CD2-CG 3.84Å; L97-E99 VanDerWaalsContact CD2-OE1 3.3Å; L97-E99 WeakPolarHBondContact CD2-OE1 3.24Å; L97-E99 HydrophobicContact CG-CG 3.78Å; L97-R122 HydrophobicContact CD1-CG 3.56Å; L97-R122 HydrophobicContact CG-CG 4.48Å; L97-T124 HydrophobicContact CD1-CG2 3.39Å
98	L	45.8	Very low	42.4	Very low	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.4	170.8	-174.3	68.3	0	0	0	108.8	I66 V68 I123 I130 L139	I66-L98 HydrophobicContact CG2-CD1 3.32Å; I66-L98 HydrophobicContact CG2-CG 4.44Å; V68-L98 HydrophobicContact CG2-CD1 3.7Å; L98-I123 WeakPolarHBondContact CB-O 2.93Å; L98-I123 HydrophobicContact CD2-CB 4.48Å; L98-I123 HydrophobicContact CD2-CD1 4.49Å; L98-I123 PolarHBondContact N-O 3.4Å; L98-I123 VanDerWaalsContact N-O 3.11Å; L98-I123 PolarHBondContact O-N 3.14Å; L98-I123 VanDerWaalsContact O-O 3.05Å; L98-I130 HydrophobicContact CD1-CD1 3.32Å; L98-I130 HydrophobicContact CD2-CD1 3.63Å; L98-I130 HydrophobicContact CD2-CG1 4.47Å; L98-I130 HydrophobicContact CD2-CG2 4.23Å; L98-I130 HydrophobicContact CG-CD1 3.99Å; L98-L139 HydrophobicContact CD2-CD1 3.68Å; L98-L139 HydrophobicContact CD2-CD2 4.37Å; L98-L139 HydrophobicContact CD2-CG 4.44Å; L98-L139 HydrophobicContact CG-CD1 4.26Å
99	E	44.6	Very low	41.7	Very low	11 Å²	11	63.3 Å²	63.3	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.7	172.4	-57.9	-177.9	137.3	0	0	108.3	V67 K69 L97 W101 R122	V67-E99 HydrophobicContact CB-CB 4.48Å; V67-E99 PolarHBondContact N-O 3.03Å; V67-E99 PolarHBondContact O-N 3Å; K69-E99 WeakPolarHBondContact CD-OE2 3.35Å; K69-E99 WeakPolarHBondContact CE-OE2 3.05Å; K69-E99 IonicContact NZ-OE2 3.17Å; K69-E99 PolarHBondContact NZ-OE2 3.18Å; L97-E99 HydrophobicContact CD1-CG 4.44Å; L97-E99 HydrophobicContact CD2-CG 3.84Å; L97-E99 VanDerWaalsContact CD2-OE1 3.3Å; L97-E99 WeakPolarHBondContact CD2-OE1 3.24Å; L97-E99 HydrophobicContact CG-CG 3.78Å; E99-W101 HydrophobicContact CB-CD2 4.45Å; E99-W101 HydrophobicContact CB-CH2 3.93Å; E99-W101 HydrophobicContact CB-CZ2 3.29Å; E99-W101 HydrophobicContact CG-CH2 4.33Å; E99-W101 HydrophobicContact CG-CZ2 3.95Å; E99-W101 PolarHBondContact O-NE1 3.29Å; E99-W101 WeakPolarHBondContact OE2-CZ2 3.25Å; E99-R122 HydrophobicContact CG-CG 4.41Å
100	Y	42.8	Very low	41.1	Very low	20 Å²	20	68.1 Å²	68.1	8%	0.078	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.2	173.4	179.5	-119.4	0	0	0	109.9	A64 I66 I102 R121 V137 L139	A64-Y100 HydrophobicContact CB-CE2 4.33Å; I66-Y100 HydrophobicContact CD1-CD2 4.45Å; I66-Y100 HydrophobicContact CG1-CD2 3.71Å; I66-Y100 HydrophobicContact CG1-CE2 4.29Å; Y100-I102 HydrophobicContact CD1-CG1 4.41Å; Y100-I102 HydrophobicContact CE1-CD1 3.41Å; Y100-I102 VanDerWaalsContact CE1-CD1 3.41Å; Y100-I102 HydrophobicContact CE1-CG1 3.42Å; Y100-I102 VanDerWaalsContact CE1-CG1 3.42Å; Y100-I102 HydrophobicContact CE2-CG1 4.3Å; Y100-I102 WeakPolarHBondContact OH-CD1 3.25Å; Y100-I102 WeakPolarHBondContact OH-CG1 3.49Å; Y100-R121 PolarHBondContact N-O 2.96Å; Y100-R121 VanDerWaalsContact N-O 3.08Å; Y100-R121 PolarHBondContact O-N 2.9Å; Y100-V137 HydrophobicContact CD2-CG1 4.32Å; Y100-V137 HydrophobicContact CE1-CG1 4.38Å; Y100-V137 HydrophobicContact CE2-CB 4.23Å; Y100-V137 HydrophobicContact CE2-CG1 3.23Å; Y100-V137 WeakPolarHBondContact OH-CB 3.31Å; Y100-V137 WeakPolarHBondContact OH-CG1 3.34Å; Y100-L139 HydrophobicContact CD2-CD1 4.17Å; Y100-L139 HydrophobicContact CG-CD1 3.82Å
101	W	44.4	Very low	40.5	Very low	9 Å²	9	74.4 Å²	74.4	3%	0.034	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.1	-179.6	-44.7	101.9	0	0	0	108.6	A64 E65 E99 V105 I117 A120	A64-W101 CarbonylContact C-O 3.58Å; A64-W101 WeakPolarHBondContact CA-O 3.45Å; E65-W101 HydrophobicContact CB-CB 4.49Å; E65-W101 PolarHBondContact N-O 3.07Å; E65-W101 VanDerWaalsContact N-O 3.12Å; E65-W101 PolarHBondContact O-N 2.72Å; E99-W101 HydrophobicContact CB-CD2 4.45Å; E99-W101 HydrophobicContact CB-CH2 3.93Å; E99-W101 HydrophobicContact CB-CZ2 3.29Å; E99-W101 HydrophobicContact CG-CH2 4.33Å; E99-W101 HydrophobicContact CG-CZ2 3.95Å; E99-W101 PolarHBondContact O-NE1 3.29Å; E99-W101 WeakPolarHBondContact OE2-CZ2 3.25Å; W101-V105 HydrophobicContact CB-CG2 4.38Å; W101-I117 HydrophobicContact CD2-CD1 4.35Å; W101-I117 HydrophobicContact CD2-CG2 4.24Å; W101-I117 HydrophobicContact CE3-CB 3.79Å; W101-I117 HydrophobicContact CE3-CD1 4.26Å; W101-I117 HydrophobicContact CE3-CG2 3.32Å; W101-I117 HydrophobicContact CH2-CB 3.48Å; W101-I117 VanDerWaalsContact CH2-CB 3.48Å; W101-I117 HydrophobicContact CH2-CD1 3.72Å; W101-I117 HydrophobicContact CH2-CG1 3.77Å; W101-I117 HydrophobicContact CH2-CG2 4.04Å; W101-I117 HydrophobicContact CZ2-CB 4.37Å; W101-I117 HydrophobicContact CZ2-CD1 3.75Å; W101-I117 HydrophobicContact CZ2-CG1 4.31Å; W101-I117 HydrophobicContact CZ3-CB 3.13Å; W101-I117 HydrophobicContact CZ3-CD1 3.99Å; W101-I117 HydrophobicContact CZ3-CG1 3.93Å; W101-I117 HydrophobicContact CZ3-CG2 3.23Å; W101-A120 HydrophobicContact CE3-CB 3.67Å; W101-A120 HydrophobicContact CH2-CB 3.65Å; W101-A120 HydrophobicContact CZ3-CB 2.98Å
102	I	40.6	Very low	40.1	Very low	87 Å²	87	77 Å²	77	45%	0.446	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	91.2	157.6	-59.2	163.3	0	0	0	103.3	T62 Y100	T62-I102 HydrophobicContact CG2-CG2 3.92Å; Y100-I102 HydrophobicContact CD1-CG1 4.41Å; Y100-I102 HydrophobicContact CE1-CD1 3.41Å; Y100-I102 VanDerWaalsContact CE1-CD1 3.41Å; Y100-I102 HydrophobicContact CE1-CG1 3.42Å; Y100-I102 VanDerWaalsContact CE1-CG1 3.42Å; Y100-I102 HydrophobicContact CE2-CG1 4.3Å; Y100-I102 WeakPolarHBondContact OH-CD1 3.25Å; Y100-I102 WeakPolarHBondContact OH-CG1 3.49Å
103	D	39.4	Very low	39.8	Very low	60 Å²	60	77.7 Å²	77.7	32%	0.321	37%	0.37	S	S	.	.	S	Bend	trans	169.6	163.2	167.5	-89.6	-28	0	0	0	110.5	T62 Q63 V105 N119	T62-D103 VanDerWaalsContact CG2-OD1 3.27Å; T62-D103 WeakPolarHBondContact CG2-OD1 3.21Å; Q63-D103 PolarHBondContact O-N 2.98Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 WeakPolarHBondContact O-CG2 3.5Å; D103-V105 PolarHBondContact O-N 3.25Å; D103-N119 PolarHBondContact OD2-ND2 3.12Å
104	D	38.8	Very low	39.8	Very low	56 Å²	56	81.6 Å²	81.6	30%	0.299	38%	0.375	S	S	.	.			trans	-40.3	75.2	-175.4	-158.6	-17.9	0	0	0	116.2	S61 S106 F107 I108	S61-D104 WeakPolarHBondContact O-CA 3.45Å; S61-D104 WeakPolarHBondContact O-CB 2.95Å; S61-D104 PolarHBondContact O-N 2.6Å; D104-S106 PolarHBondContact O-N 2.89Å; D104-S106 PolarHBondContact OD1-OG 3.1Å; D104-F107 HydrophobicContact CB-CB 4.37Å; D104-F107 PolarHBondContact O-N 3.25Å; D104-F107 VanDerWaalsContact O-N 3.1Å; D104-F107 PolarHBondContact OD1-N 3.35Å; D104-I108 PolarHBondContact O-N 3.45Å
105	V	34.9	Very low	40	Very low	11 Å²	11	78.8 Å²	78.8	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-27.3	179.4	-169.4	0	0	0	0	111.1	Q63 E65 W101 D103 F107 I108 R109	Q63-V105 HydrophobicContact CB-CG2 4.31Å; E65-V105 HydrophobicContact CB-CG2 4.2Å; E65-V105 HydrophobicContact CG-CB 4.47Å; E65-V105 HydrophobicContact CG-CG2 3.85Å; E65-V105 WeakPolarHBondContact OE2-CG1 2.92Å; W101-V105 HydrophobicContact CB-CG2 4.38Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 WeakPolarHBondContact O-CG2 3.5Å; D103-V105 PolarHBondContact O-N 3.25Å; V105-F107 VanDerWaalsContact C-N 3.28Å; V105-F107 PolarHBondContact O-N 2.9Å; V105-I108 PolarHBondContact O-N 3.08Å; V105-I108 VanDerWaalsContact O-N 3.08Å; V105-R109 HydrophobicContact CG1-CG 4.07Å; V105-R109 PolarHBondContact O-N 3.1Å
106	S	40.7	Very low	40.2	Very low	66 Å²	66	76.9 Å²	76.9	46%	0.462	37%	0.373	S	S	.	.	H	α-helix	trans	-56.9	-40.4	173	23.7	0	0	0	0	112.6	D104 I108	D104-S106 PolarHBondContact O-N 2.89Å; D104-S106 PolarHBondContact OD1-OG 3.1Å; S106-I108 VanDerWaalsContact C-N 3.35Å
107	F	35.4	Very low	40	Very low	128 Å²	128	78.4 Å²	78.4	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-69.4	-37.5	176.3	-160.9	-92.1	0	0	0	111.3	D104 V105	D104-F107 HydrophobicContact CB-CB 4.37Å; D104-F107 PolarHBondContact O-N 3.25Å; D104-F107 VanDerWaalsContact O-N 3.1Å; D104-F107 PolarHBondContact OD1-N 3.35Å; V105-F107 VanDerWaalsContact C-N 3.28Å; V105-F107 PolarHBondContact O-N 2.9Å
108	I	36	Very low	39.8	Very low	21 Å²	21	80.8 Å²	80.8	11%	0.108	40%	0.398	C	S	.	.	H	α-helix	trans	-82.6	-30.1	-169.3	-55.6	-176.2	0	0	0	112.7	D104 V105 S106 K110 E111 R112 I117	D104-I108 PolarHBondContact O-N 3.45Å; V105-I108 PolarHBondContact O-N 3.08Å; V105-I108 VanDerWaalsContact O-N 3.08Å; S106-I108 VanDerWaalsContact C-N 3.35Å; I108-K110 VanDerWaalsContact C-N 3.28Å; I108-K110 PolarHBondContact O-N 2.77Å; I108-E111 PolarHBondContact O-N 2.96Å; I108-R112 HydrophobicContact CG2-CB 3.92Å; I108-R112 HydrophobicContact CG2-CG 4.22Å; I108-R112 PolarHBondContact O-N 2.81Å; I108-I117 HydrophobicContact CB-CD1 4.46Å; I108-I117 HydrophobicContact CD1-CB 4.27Å; I108-I117 HydrophobicContact CD1-CG2 3.33Å; I108-I117 HydrophobicContact CG2-CB 4.26Å; I108-I117 HydrophobicContact CG2-CD1 3.54Å; I108-I117 HydrophobicContact CG2-CG1 3.5Å; I108-I117 HydrophobicContact CG2-CG2 4.3Å
109	R	41.5	Very low	39.5	Very low	130 Å²	130	86.4 Å²	86.4	49%	0.491	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-33	173.3	-79.3	-174.4	-172.7	-158.4	2.4	113.2	Y36 E65 V105	Y36-R109 PolarHBondContact OH-NH1 3.48Å; Y36-R109 PolarHBondContact OH-NH2 3.48Å; E65-R109 IonicContact OE1-NH2 3.4Å; E65-R109 PolarHBondContact OE1-NH2 2.77Å; E65-R109 IonicContact OE2-CZ 2.68Å; E65-R109 IonicContact OE2-NH2 3.12Å; E65-R109 PolarHBondContact OE2-NH2 3.3Å; V105-R109 HydrophobicContact CG1-CG 4.07Å; V105-R109 PolarHBondContact O-N 3.1Å
110	K	38.9	Very low	39.2	Very low	195 Å²	195	87.5 Å²	87.5	85%	0.848	44%	0.439	S	S	*	.	H	α-helix	trans	-75.6	-27	179	-83.4	-173.4	176.8	178.6	0	113.2	I108	I108-K110 VanDerWaalsContact C-N 3.28Å; I108-K110 PolarHBondContact O-N 2.77Å
111	E	37.1	Very low	39.2	Very low	137 Å²	137	95.3 Å²	95.3	64%	0.64	47%	0.468	S	S	*	.	H	α-helix	trans	-115.1	-18.2	-172.7	-71.4	-161.2	158.4	0	0	115.9	I108	I108-E111 PolarHBondContact O-N 2.96Å
112	R	38.4	Very low	39.2	Very low	124 Å²	124	101.9 Å²	101.9	47%	0.468	49%	0.493	S	S	.	.			trans	-123.7	80.4	-172.3	-63	-166.8	-177.4	-168.5	1.1	112.8	I108 R114 D116	I108-R112 HydrophobicContact CG2-CB 3.92Å; I108-R112 HydrophobicContact CG2-CG 4.22Å; I108-R112 PolarHBondContact O-N 2.81Å; R112-R114 PolarHBondContact O-N 2.74Å; R112-R114 VanDerWaalsContact O-N 3.14Å; R112-D116 PolarHBondContact NH1-O 2.96Å
113	S	37.3	Very low	39.4	Very low	116 Å²	116	100.2 Å²	100.2	81%	0.811	49%	0.485	S	S	*	.	S	Bend	trans	-71.5	13.8	163.5	37.1	0	0	0	0	114.4
114	R	35.5	Very low	39.7	Very low	251 Å²	251	101.5 Å²	101.5	95%	0.947	50%	0.495	S	S	*	.	S	Bend	trans	-176	0.2	175	-106.9	147.1	-168.2	-153.6	4.4	118	R112	R112-R114 PolarHBondContact O-N 2.74Å; R112-R114 VanDerWaalsContact O-N 3.14Å
115	G	40.1	Very low	40.1	Very low	36 Å²	36	99.5 Å²	99.5	37%	0.371	49%	0.487	S	S	.	.	S	Bend	trans	-99.3	138.7	-171.5	0	0	0	0	0	113	I117	G115-I117 PolarHBondContact O-N 3.34Å
116	D	43.2	Very low	40.8	Very low	132 Å²	132	102.5 Å²	102.5	71%	0.706	50%	0.503	S	S	*	.			trans	-40.9	122.9	166.8	-65.5	-50	0	0	0	109.8	R112	R112-D116 PolarHBondContact NH1-O 2.96Å
117	I	39.9	Very low	41.2	Very low	35 Å²	35	100.2 Å²	100.2	18%	0.179	48%	0.484	C	S	.	.			trans	-86.8	126.1	-178.7	-59.8	-176.5	0	0	0	107	W101 I108 G115 A120	W101-I117 HydrophobicContact CD2-CD1 4.35Å; W101-I117 HydrophobicContact CD2-CG2 4.24Å; W101-I117 HydrophobicContact CE3-CB 3.79Å; W101-I117 HydrophobicContact CE3-CD1 4.26Å; W101-I117 HydrophobicContact CE3-CG2 3.32Å; W101-I117 HydrophobicContact CH2-CB 3.48Å; W101-I117 VanDerWaalsContact CH2-CB 3.48Å; W101-I117 HydrophobicContact CH2-CD1 3.72Å; W101-I117 HydrophobicContact CH2-CG1 3.77Å; W101-I117 HydrophobicContact CH2-CG2 4.04Å; W101-I117 HydrophobicContact CZ2-CB 4.37Å; W101-I117 HydrophobicContact CZ2-CD1 3.75Å; W101-I117 HydrophobicContact CZ2-CG1 4.31Å; W101-I117 HydrophobicContact CZ3-CB 3.13Å; W101-I117 HydrophobicContact CZ3-CD1 3.99Å; W101-I117 HydrophobicContact CZ3-CG1 3.93Å; W101-I117 HydrophobicContact CZ3-CG2 3.23Å; I108-I117 HydrophobicContact CB-CD1 4.46Å; I108-I117 HydrophobicContact CD1-CB 4.27Å; I108-I117 HydrophobicContact CD1-CG2 3.33Å; I108-I117 HydrophobicContact CG2-CB 4.26Å; I108-I117 HydrophobicContact CG2-CD1 3.54Å; I108-I117 HydrophobicContact CG2-CG1 3.5Å; I108-I117 HydrophobicContact CG2-CG2 4.3Å; G115-I117 PolarHBondContact O-N 3.34Å; I117-A120 PolarHBondContact O-N 2.66Å
118	P	40.6	Very low	42.1	Very low	71 Å²	71	98.9 Å²	98.9	46%	0.461	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	141.5	-179.7	23.8	-32.9	0	0	0	110.6	A120	P118-A120 VanDerWaalsContact C-N 3.34Å; P118-A120 PolarHBondContact O-N 3.16Å
119	N	38.8	Very low	42.9	Very low	118 Å²	118	102.1 Å²	102.1	63%	0.631	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	11	-178.8	-51.6	-28.5	0	0	0	117	D103 R121	D103-N119 PolarHBondContact OD2-ND2 3.12Å; N119-R121 PolarHBondContact O-N 2.86Å
120	A	39	Very low	43.6	Very low	35 Å²	35	96 Å²	96	29%	0.289	47%	0.47	S	S	.	.			trans	-52.4	128.5	163.2	0	0	0	0	0	110.5	W101 I117 P118 R122	W101-A120 HydrophobicContact CE3-CB 3.67Å; W101-A120 HydrophobicContact CH2-CB 3.65Å; W101-A120 HydrophobicContact CZ3-CB 2.98Å; I117-A120 PolarHBondContact O-N 2.66Å; P118-A120 VanDerWaalsContact C-N 3.34Å; P118-A120 PolarHBondContact O-N 3.16Å; A120-R122 PolarHBondContact O-N 2.64Å
121	R	42.6	Very low	44.4	Very low	183 Å²	183	86.8 Å²	86.8	69%	0.691	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	102.5	147.4	-75.3	-168.7	178.9	-171.2	1.9	107.2	Y100 N119	Y100-R121 PolarHBondContact N-O 2.96Å; Y100-R121 VanDerWaalsContact N-O 3.08Å; Y100-R121 PolarHBondContact O-N 2.9Å; N119-R121 PolarHBondContact O-N 2.86Å
122	R	44.9	Very low	45.2	Very low	147 Å²	147	80.7 Å²	80.7	56%	0.555	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.3	174.5	-168.5	177.3	172.2	166.3	3.1	108.3	L97 E99 A120	L97-R122 HydrophobicContact CD1-CG 3.56Å; L97-R122 HydrophobicContact CG-CG 4.48Å; E99-R122 HydrophobicContact CG-CG 4.41Å; A120-R122 PolarHBondContact O-N 2.64Å
123	I	44.4	Very low	45.8	Very low	53 Å²	53	76.1 Å²	76.1	27%	0.272	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.7	175.6	-36.7	-177.1	0	0	0	107.9	L98 W127 L139	L98-I123 WeakPolarHBondContact CB-O 2.93Å; L98-I123 HydrophobicContact CD2-CB 4.48Å; L98-I123 HydrophobicContact CD2-CD1 4.49Å; L98-I123 PolarHBondContact N-O 3.4Å; L98-I123 VanDerWaalsContact N-O 3.11Å; L98-I123 PolarHBondContact O-N 3.14Å; L98-I123 VanDerWaalsContact O-O 3.05Å; I123-W127 HydrophobicContact CB-CH2 4.46Å; I123-W127 HydrophobicContact CB-CZ2 4.04Å; I123-W127 HydrophobicContact CG2-CH2 3.57Å; I123-W127 HydrophobicContact CG2-CZ2 3.37Å; I123-L139 HydrophobicContact CD1-CB 4.07Å; I123-L139 HydrophobicContact CD1-CD1 3.86Å
124	T	45.5	Very low	46.4	Very low	87 Å²	87	72.1 Å²	72.1	53%	0.534	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132	177.1	49.4	0	0	0	0	109.8	L97	L97-T124 HydrophobicContact CD1-CG2 3.39Å
125	G	47.8	Very low	46.9	Very low	13 Å²	13	68 Å²	68	13%	0.134	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	173.7	179.3	0	0	0	0	0	112.3	A96 W127	A96-G125 VanDerWaalsContact O-O 3.13Å; G125-W127 VanDerWaalsContact C-CD1 3.48Å; G125-W127 VanDerWaalsContact CA-NE1 3.28Å; G125-W127 VanDerWaalsContact N-NE1 3.14Å; G125-W127 PolarHBondContact O-NE1 3.4Å
126	N	48.1	Very low	47.2	Very low	74 Å²	74	71.2 Å²	71.2	40%	0.396	36%	0.355	S	S	.	.			trans	-96.2	90.4	167.7	-81.9	-5.7	0	0	0	107.5	P92	P92-N126 PolarHBondContact O-ND2 2.76Å
127	W	50.4	Low	47.2	Very low	19 Å²	19	66.9 Å²	66.9	7%	0.072	33%	0.334	C	S	.	.			trans	-91.9	119.6	-174.9	-49.5	88.4	0	0	0	109.4	I123 G125 I130 D141	I123-W127 HydrophobicContact CB-CH2 4.46Å; I123-W127 HydrophobicContact CB-CZ2 4.04Å; I123-W127 HydrophobicContact CG2-CH2 3.57Å; I123-W127 HydrophobicContact CG2-CZ2 3.37Å; G125-W127 VanDerWaalsContact C-CD1 3.48Å; G125-W127 VanDerWaalsContact CA-NE1 3.28Å; G125-W127 VanDerWaalsContact N-NE1 3.14Å; G125-W127 PolarHBondContact O-NE1 3.4Å; W127-I130 HydrophobicContact CB-CD1 4.3Å; W127-I130 HydrophobicContact CB-CG1 4.09Å; W127-I130 HydrophobicContact CE3-CG1 4.32Å; W127-I130 HydrophobicContact CG-CD1 4.39Å; W127-I130 HydrophobicContact CG-CG1 4.43Å; W127-D141 HydrophobicContact CE3-CB 3.98Å; W127-D141 HydrophobicContact CH2-CB 4.09Å; W127-D141 HydrophobicContact CZ3-CB 3.34Å; W127-D141 VanDerWaalsContact CZ3-CG 3.44Å
128	N	53	Low	47.3	Very low	99 Å²	99	70 Å²	70	53%	0.529	35%	0.35	S	S	.	.	S	Bend	trans	-89.9	-31	164.8	-64.6	-34.8	0	0	0	110.2	E87 F88	E87-N128 CarbonylContact C-O 3.54Å; E87-N128 WeakPolarHBondContact CA-O 3.13Å; E87-N128 VanDerWaalsContact CG-O 3.27Å; E87-N128 WeakPolarHBondContact CG-O 3.15Å; F88-N128 PolarHBondContact N-O 3.16Å; F88-N128 WeakPolarHBondContact O-CA 3.19Å; F88-N128 VanDerWaalsContact O-O 3.1Å
129	R	53.7	Low	47.6	Very low	90 Å²	90	68.1 Å²	68.1	34%	0.34	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.8	-179.5	-175.4	176.4	-74.4	179.6	-3.1	110.9	Y85 I86 E87	Y85-R129 HydrophobicContact CD1-CG 4.36Å; I86-R129 CarbonylContact O-C 3.55Å; I86-R129 WeakPolarHBondContact O-CA 3.39Å; E87-R129 IonicContact OE2-CZ 3.5Å; E87-R129 IonicContact OE2-NE 3.49Å; E87-R129 PolarHBondContact OE2-NE 2.93Å; E87-R129 IonicContact OE2-NH2 2.74Å; E87-R129 PolarHBondContact OE2-NH2 2.68Å
130	I	56.7	Low	47.9	Very low	1 Å²	1	65.8 Å²	65.8	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.9	174.7	-55	-176.1	0	0	0	107.7	Y85 I86 F88 L98 W127 I132 L139	Y85-I130 CarbonylContact C-O 3.53Å; Y85-I130 VanDerWaalsContact CA-O 3.29Å; Y85-I130 WeakPolarHBondContact CA-O 2.81Å; I86-I130 PolarHBondContact N-O 3.37Å; I86-I130 PolarHBondContact O-N 2.79Å; F88-I130 HydrophobicContact CD2-CD1 4.15Å; F88-I130 HydrophobicContact CD2-CG1 4.27Å; F88-I130 HydrophobicContact CE2-CD1 3.58Å; F88-I130 HydrophobicContact CE2-CG1 3.94Å; L98-I130 HydrophobicContact CD1-CD1 3.32Å; L98-I130 HydrophobicContact CD2-CD1 3.63Å; L98-I130 HydrophobicContact CD2-CG1 4.47Å; L98-I130 HydrophobicContact CD2-CG2 4.23Å; L98-I130 HydrophobicContact CG-CD1 3.99Å; W127-I130 HydrophobicContact CB-CD1 4.3Å; W127-I130 HydrophobicContact CB-CG1 4.09Å; W127-I130 HydrophobicContact CE3-CG1 4.32Å; W127-I130 HydrophobicContact CG-CD1 4.39Å; W127-I130 HydrophobicContact CG-CG1 4.43Å; I130-I132 HydrophobicContact CG2-CG1 4.31Å; I130-L139 HydrophobicContact CG2-CD2 3.49Å; I130-L139 VanDerWaalsContact CG2-CD2 3.49Å
131	A	55.6	Low	48.1	Very low	2 Å²	2	68.8 Å²	68.8	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.8	170.8	0	0	0	0	0	109.7	Y85 T140	Y85-A131 HydrophobicContact CD1-CB 3.7Å; Y85-A131 HydrophobicContact CE1-CB 3.55Å; A131-T140 PolarHBondContact N-O 2.99Å; A131-T140 PolarHBondContact O-N 3.07Å
132	I	54.2	Low	48.3	Very low	8 Å²	8	68.1 Å²	68.1	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	111.9	177.3	-52.3	157.2	0	0	0	107.6	Y37 I66 H83 I84 I86 I130 K134 V137 L139	Y37-I132 HydrophobicContact CD1-CD1 4.15Å; Y37-I132 HydrophobicContact CE1-CD1 3.87Å; I66-I132 HydrophobicContact CD1-CB 4.33Å; I66-I132 HydrophobicContact CD1-CD1 3.14Å; I66-I132 HydrophobicContact CD1-CG1 3.39Å; I66-I132 HydrophobicContact CD1-CG2 3.97Å; H83-I132 VanDerWaalsContact CA-O 3.24Å; H83-I132 WeakPolarHBondContact CA-O 3.42Å; I84-I132 HydrophobicContact CB-CB 4.3Å; I84-I132 HydrophobicContact CB-CD1 4.26Å; I84-I132 HydrophobicContact CG2-CD1 4.32Å; I84-I132 PolarHBondContact N-O 2.84Å; I84-I132 PolarHBondContact O-N 2.74Å; I86-I132 HydrophobicContact CD1-CD1 3.76Å; I86-I132 HydrophobicContact CG1-CD1 4.15Å; I130-I132 HydrophobicContact CG2-CG1 4.31Å; I132-K134 PolarHBondContact O-N 2.76Å; I132-V137 HydrophobicContact CG2-CG1 3.94Å; I132-L139 HydrophobicContact CG1-CD2 3.81Å
133	D	50.3	Low	48.5	Very low	28 Å²	28	64.2 Å²	64.2	15%	0.15	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.7	169.2	-179.8	-27.2	0	0	0	109.2	E135 N136 V137 L138	D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact O-N 3.3Å; D133-E135 WeakPolarHBondContact OD1-CA 3.26Å; D133-E135 WeakPolarHBondContact OD1-CB 3.41Å; D133-E135 PolarHBondContact OD1-N 2.87Å; D133-N136 PolarHBondContact OD1-N 2.74Å; D133-N136 PolarHBondContact OD2-ND2 2.95Å; D133-V137 WeakPolarHBondContact O-CA 3.25Å; D133-V137 PolarHBondContact O-N 2.98Å; D133-L138 HydrophobicContact CB-CB 4.47Å; D133-L138 PolarHBondContact N-O 2.05Å
134	K	50.5	Low	48.7	Very low	32 Å²	32	64.8 Å²	64.8	14%	0.139	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.2	-179.5	-66.7	-179.6	-168.2	177.8	0	114	V20 S22 A41 D79 G81 T82 I84 I132	V20-K134 HydrophobicContact CG1-CD 4.33Å; S22-K134 PolarHBondContact OG-NZ 2.73Å; A41-K134 HydrophobicContact CB-CD 4.48Å; D79-K134 VanDerWaalsContact CG-NZ 3.29Å; D79-K134 WeakPolarHBondContact OD1-CE 3.24Å; D79-K134 IonicContact OD1-NZ 3.99Å; D79-K134 PolarHBondContact OD1-NZ 3.19Å; D79-K134 IonicContact OD2-NZ 2.66Å; D79-K134 PolarHBondContact OD2-NZ 3.36Å; D79-K134 VanDerWaalsContact OD2-NZ 3.17Å; G81-K134 WeakPolarHBondContact O-CD 3.35Å; G81-K134 WeakPolarHBondContact O-CE 3.27Å; G81-K134 PolarHBondContact O-NZ 3.12Å; T82-K134 WeakPolarHBondContact O-CB 3.29Å; T82-K134 VanDerWaalsContact O-CG 3.27Å; T82-K134 WeakPolarHBondContact O-CG 3.34Å; T82-K134 PolarHBondContact O-N 3.17Å; I84-K134 HydrophobicContact CD1-CD 4.47Å; I84-K134 HydrophobicContact CD1-CG 4.3Å; I84-K134 HydrophobicContact CG1-CD 4.34Å; I84-K134 HydrophobicContact CG1-CG 4.13Å; I132-K134 PolarHBondContact O-N 2.76Å
135	E	46.5	Very low	48.9	Very low	166 Å²	166	63.6 Å²	63.6	78%	0.776	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-41	-178.9	-63.9	-170	163.2	0	0	111.7	D133	D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact O-N 3.3Å; D133-E135 WeakPolarHBondContact OD1-CA 3.26Å; D133-E135 WeakPolarHBondContact OD1-CB 3.41Å; D133-E135 PolarHBondContact OD1-N 2.87Å
136	N	45.1	Very low	48.9	Very low	102 Å²	102	66.5 Å²	66.5	55%	0.545	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-8.1	-173.7	-59	-64.9	0	0	0	114.3	D133 L138	D133-N136 PolarHBondContact OD1-N 2.74Å; D133-N136 PolarHBondContact OD2-ND2 2.95Å; N136-L138 HydrophobicContact CB-CD1 3.82Å; N136-L138 HydrophobicContact CB-CG 3.81Å; N136-L138 PolarHBondContact O-N 2.62Å; N136-L138 VanDerWaalsContact O-N 3.1Å
137	V	43.9	Very low	49	Very low	42 Å²	42	66.1 Å²	66.1	26%	0.255	33%	0.331	S	S	.	.			trans	42.8	44.4	-172.5	-152.3	0	0	0	0	112.4	Y100 I132 D133	Y100-V137 HydrophobicContact CD2-CG1 4.32Å; Y100-V137 HydrophobicContact CE1-CG1 4.38Å; Y100-V137 HydrophobicContact CE2-CB 4.23Å; Y100-V137 HydrophobicContact CE2-CG1 3.23Å; Y100-V137 WeakPolarHBondContact OH-CB 3.31Å; Y100-V137 WeakPolarHBondContact OH-CG1 3.34Å; I132-V137 HydrophobicContact CG2-CG1 3.94Å; D133-V137 WeakPolarHBondContact O-CA 3.25Å; D133-V137 PolarHBondContact O-N 2.98Å
138	L	42.9	Very low	48.9	Very low	100 Å²	100	69.2 Å²	69.2	52%	0.524	35%	0.348	S	S	.	.			trans	-85.9	126.9	171.6	-67.7	170.8	0	0	0	108.1	D133 N136	D133-L138 HydrophobicContact CB-CB 4.47Å; D133-L138 PolarHBondContact N-O 2.05Å; N136-L138 HydrophobicContact CB-CD1 3.82Å; N136-L138 HydrophobicContact CB-CG 3.81Å; N136-L138 PolarHBondContact O-N 2.62Å; N136-L138 VanDerWaalsContact O-N 3.1Å
139	L	45.5	Very low	48.6	Very low	32 Å²	32	67.1 Å²	67.1	17%	0.168	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.9	171.2	-65.3	167.9	0	0	0	108.3	I66 L98 Y100 I123 I130 I132	I66-L139 HydrophobicContact CD1-CD2 3.88Å; I66-L139 HydrophobicContact CG1-CD2 4.5Å; L98-L139 HydrophobicContact CD2-CD1 3.68Å; L98-L139 HydrophobicContact CD2-CD2 4.37Å; L98-L139 HydrophobicContact CD2-CG 4.44Å; L98-L139 HydrophobicContact CG-CD1 4.26Å; Y100-L139 HydrophobicContact CD2-CD1 4.17Å; Y100-L139 HydrophobicContact CG-CD1 3.82Å; I123-L139 HydrophobicContact CD1-CB 4.07Å; I123-L139 HydrophobicContact CD1-CD1 3.86Å; I130-L139 HydrophobicContact CG2-CD2 3.49Å; I130-L139 VanDerWaalsContact CG2-CD2 3.49Å; I132-L139 HydrophobicContact CG1-CD2 3.81Å
140	T	44.8	Very low	48.2	Very low	69 Å²	69	65.3 Å²	65.3	42%	0.423	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.5	172.2	52.2	0	0	0	0	109.5	A131	A131-T140 PolarHBondContact N-O 2.99Å; A131-T140 PolarHBondContact O-N 3.07Å
141	D	44.2	Very low	47.5	Very low	98 Å²	98	70.7 Å²	70.7	52%	0.524	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.5	166.9	-157.1	-0.5	0	0	0	108.5	W127	W127-D141 HydrophobicContact CE3-CB 3.98Å; W127-D141 HydrophobicContact CH2-CB 4.09Å; W127-D141 HydrophobicContact CZ3-CB 3.34Å; W127-D141 VanDerWaalsContact CZ3-CG 3.44Å
142	Q	46.4	Very low	46.7	Very low	169 Å²	169	76.9 Å²	76.9	79%	0.79	39%	0.394	S	S	*	.			trans	-129.7	0	177.5	-73.1	-104.6	-40	0	0	110.1

Retrieved 142 of 142 residues in 65.9 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).