A0A077ZG96_TRITR Loading...

Kelch 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 aa.

						>A0A077ZG96_TRITR|A0A077ZG96
MDVEEVPTYKFTILEAPPSHSGLPRRPQPRSGHRMVSFDELIISVGGYSTEHSENGMIKEIWIMNPHTESWRPFQTTGCIPENLASHAMVRIGYSIVLFGGADSQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.9	Low	82.9	Confident	238 Å²	238	167.5 Å²	167.5	100%	1.172	84%	0.838	S	S	*	*				0	101.5	0	-82.5	178.4	163.9	0	0	105.2	V3	M1-V3 PolarHBondContact O-N 3.48Å
2	D	73.2	Confident	83.2	Confident	168 Å²	168	162.1 Å²	162.1	90%	0.898	82%	0.821	S	S	*	*			trans	-67.5	121.6	172.6	-64.3	-43.6	0	0	0	107.3	E4	D2-E4 PolarHBondContact O-N 2.64Å
3	V	76.6	Confident	83.3	Confident	133 Å²	133	160.3 Å²	160.3	81%	0.806	81%	0.813	S	S	*	*			trans	-78.3	110.5	173.2	-179.1	0	0	0	0	105.5	M1 E5	M1-V3 PolarHBondContact O-N 3.48Å; V3-E5 PolarHBondContact O-N 2.76Å
4	E	81.7	Confident	82.9	Confident	182 Å²	182	155.4 Å²	155.4	85%	0.85	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-59.4	120.3	168.1	-84.3	-175.5	153	0	0	108.5	D2 V6	D2-E4 PolarHBondContact O-N 2.64Å; E4-V6 PolarHBondContact O-N 2.93Å
5	E	83.7	Confident	82.4	Confident	187 Å²	187	154.1 Å²	154.1	87%	0.874	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64	124.3	172.3	-77.4	-173	158.7	0	0	109.5	V3	V3-E5 PolarHBondContact O-N 2.76Å
6	V	86.7	Confident	81.6	Confident	122 Å²	122	146.5 Å²	146.5	74%	0.739	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-73.5	124.1	174.7	-178.9	0	0	0	0	108.5	E4 T8	E4-V6 PolarHBondContact O-N 2.93Å; V6-T8 PolarHBondContact O-N 2.98Å
7	P	88.3	Confident	80.8	Confident	84 Å²	84	142 Å²	142	55%	0.545	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-61	132.2	177.9	22.6	-30.9	0	0	0	110.6	Y9	P7-Y9 HydrophobicContact CB-CE2 4.05Å; P7-Y9 HydrophobicContact CG-CE2 4.12Å
8	T	90.2	Very high	80.1	Confident	138 Å²	138	139.1 Å²	139.1	85%	0.847	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-98.3	131.9	174.2	-59.1	0	0	0	0	109.8	V6	V6-T8 PolarHBondContact O-N 2.98Å
9	Y	89.5	Confident	79.3	Confident	197 Å²	197	134.8 Å²	134.8	77%	0.773	71%	0.705	S	S	*	*			trans	-109.2	145.8	175.8	-59.3	-87.4	0	0	0	110	P7	P7-Y9 HydrophobicContact CB-CE2 4.05Å; P7-Y9 HydrophobicContact CG-CE2 4.12Å
10	K	90.8	Very high	78.7	Confident	184 Å²	184	135.9 Å²	135.9	80%	0.8	71%	0.705	S	S	*	*			trans	-116.7	130.2	179.5	-179.9	178.7	175.5	-174.7	0	110
11	F	89.8	Confident	78.3	Confident	209 Å²	209	132.8 Å²	132.8	92%	0.917	70%	0.696	S	S	*	*			trans	-74.7	133.6	165.7	-70.4	-78	0	0	0	110.1
12	T	85.7	Confident	78.7	Confident	103 Å²	103	125.3 Å²	125.3	63%	0.632	68%	0.679	S	S	*	*			trans	-122.6	129.8	171.6	-58.9	0	0	0	0	107.9	L14	T12-L14 HydrophobicContact CG2-CD2 4.25Å
13	I	84.3	Confident	78.4	Confident	139 Å²	139	123 Å²	123	71%	0.713	67%	0.667	S	S	*	*			trans	-84.2	121.8	170.3	-61.7	174.5	0	0	0	106.9
14	L	78	Confident	78.1	Confident	92 Å²	92	119.6 Å²	119.6	48%	0.482	65%	0.647	S	S	.	*			trans	-87.2	111.6	172.2	-58.9	-178.3	0	0	0	108.4	T12 E69	T12-L14 HydrophobicContact CG2-CD2 4.25Å; L14-E69 HydrophobicContact CD1-CG 4.45Å
15	E	75.8	Confident	78.1	Confident	136 Å²	136	115.7 Å²	115.7	64%	0.636	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-77.6	130.9	175.8	-70.2	-60.8	161.2	0	0	110
16	A	68.8	Low	78.4	Confident	32 Å²	32	112.5 Å²	112.5	26%	0.264	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-77.2	140.5	176.9	0	0	0	0	0	110.3	R26	A16-R26 HydrophobicContact CB-CG 4.41Å
17	P	68.8	Low	78.7	Confident	70 Å²	70	107.7 Å²	107.7	46%	0.455	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-60.4	144.8	174.3	22.8	-30.4	0	0	0	110.2	S19	P17-S19 PolarHBondContact O-N 2.83Å
18	P	68.1	Low	79	Confident	90 Å²	90	107.4 Å²	107.4	58%	0.584	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-55	141.7	-179.6	19	-29.5	0	0	0	111.5	H20 R25	P18-H20 PolarHBondContact O-N 3.17Å; P18-R25 PolarHBondContact O-NH1 2.86Å; P18-R25 VanDerWaalsContact O-NH1 3.17Å
19	S	65.4	Low	79.1	Confident	57 Å²	57	105 Å²	105	40%	0.399	55%	0.553	S	S	.	*			trans	-80.4	114.1	173.5	-177	0	0	0	0	109.5	P17 G22 L23	P17-S19 PolarHBondContact O-N 2.83Å; S19-G22 PolarHBondContact OG-N 2.98Å; S19-L23 PolarHBondContact OG-O 2.9Å
20	H	66.7	Low	79.4	Confident	156 Å²	156	97.2 Å²	97.2	72%	0.722	52%	0.523	S	S	*	.	S	Bend	trans	-88.5	-7.3	173.9	-63.2	-69.3	0	0	0	113.3	P18	P18-H20 PolarHBondContact O-N 3.17Å
21	S	70.7	Confident	79.6	Confident	72 Å²	72	91.8 Å²	91.8	50%	0.503	51%	0.508	S	S	.	.	S	Bend	trans	-120.3	9.7	-168.4	58	0	0	0	0	114.4	L23	S21-L23 PolarHBondContact O-N 3.35Å
22	G	69.1	Low	79.8	Confident	80 Å²	80	82.7 Å²	82.7	83%	0.825	47%	0.473	S	S	*	.	S	Bend	trans	68.1	-20.2	-177.2	0	0	0	0	0	114.9	S19	S19-G22 PolarHBondContact OG-N 2.98Å
23	L	68.4	Low	80.3	Confident	121 Å²	121	80.7 Å²	80.7	63%	0.634	46%	0.457	S	S	*	.	S	Bend	trans	-74	143.6	173.2	-67.9	169.4	0	0	0	110.8	S19 S21 R25	S19-L23 PolarHBondContact OG-O 2.9Å; S21-L23 PolarHBondContact O-N 3.35Å; L23-R25 PolarHBondContact O-N 2.89Å
24	P	68.7	Low	80.9	Confident	60 Å²	60	78.3 Å²	78.3	39%	0.39	44%	0.439	S	S	.	.			trans	-64.3	126.3	173.8	25	-30.9	0	0	0	110	R26 W62	P24-R26 VanDerWaalsContact C-N 3.28Å; P24-W62 HydrophobicContact CB-CH2 4.28Å; P24-W62 HydrophobicContact CG-CH2 4.29Å
25	R	82.9	Confident	81.8	Confident	100 Å²	100	77.8 Å²	77.8	38%	0.377	44%	0.435	S	S	.	.	S	Bend	trans	-89.5	4.8	172.5	-68.8	-172.2	171.9	-165.8	-6.3	112.9	P18 L23 W71	P18-R25 PolarHBondContact O-NH1 2.86Å; P18-R25 VanDerWaalsContact O-NH1 3.17Å; L23-R25 PolarHBondContact O-N 2.89Å; R25-W71 WeakPolarHBondContact O-CB 3.21Å
26	R	90.1	Very high	82.8	Confident	120 Å²	120	72.2 Å²	72.2	45%	0.453	41%	0.41	S	S	.	.	S	Bend	trans	-158.6	160.6	-178.9	64.8	170.9	172.9	-167.8	2.3	110.4	A16 P24 Q28 W71	A16-R26 HydrophobicContact CB-CG 4.41Å; P24-R26 VanDerWaalsContact C-N 3.28Å; R26-Q28 PolarHBondContact O-N 3.1Å; R26-W71 HydrophobicContact CB-CB 4.29Å; R26-W71 HydrophobicContact CB-CG 4.01Å
27	P	93.6	Very high	84.2	Confident	21 Å²	21	74.5 Å²	74.5	14%	0.136	42%	0.424	C	S	.	.			trans	-54.7	136.8	171.5	-13.3	20.2	0	0	0	111.1	R30 W62 W71	P27-R30 VanDerWaalsContact CB-CZ 3.45Å; P27-W62 HydrophobicContact CB-CD2 4.31Å; P27-W62 HydrophobicContact CB-CG 4.15Å; P27-W62 HydrophobicContact CG-CB 3.86Å; P27-W62 HydrophobicContact CG-CD2 3.82Å; P27-W62 HydrophobicContact CG-CE3 4.4Å; P27-W62 HydrophobicContact CG-CG 3.55Å; P27-W71 VanDerWaalsContact CD-CE3 3.48Å; P27-W71 HydrophobicContact CG-CD2 4.16Å; P27-W71 HydrophobicContact CG-CE3 3.61Å; P27-W71 HydrophobicContact CG-CH2 4.36Å; P27-W71 HydrophobicContact CG-CZ3 3.71Å
28	Q	93.1	Very high	85.4	Confident	78 Å²	78	73.1 Å²	73.1	36%	0.364	41%	0.411	S	S	.	.			trans	-63.2	154.6	168.6	-65.4	-61.5	-17.4	0	0	111.6	R26 R30 H52	R26-Q28 PolarHBondContact O-N 3.1Å; Q28-R30 PolarHBondContact O-N 3.37Å; Q28-R30 PolarHBondContact O-NE 2.66Å; Q28-R30 PolarHBondContact O-NH2 3.34Å; Q28-H52 HydrophobicContact CB-CB 4.26Å; Q28-H52 VanDerWaalsContact CB-CD2 3.49Å; Q28-H52 WeakPolarHBondContact CB-CD2 3.46Å
29	P	93.3	Very high	86.7	Confident	87 Å²	87	73.4 Å²	73.4	57%	0.565	41%	0.408	S	S	*	.	S	Bend	trans	-45.1	127.8	176.5	-30.4	34.7	0	0	0	113.5	H52	P29-H52 WeakPolarHBondContact CD-NE2 3.4Å; P29-H52 PolarHBondContact O-CD2 2.84Å; P29-H52 VanDerWaalsContact O-CD2 3.29Å
30	R	94.9	Very high	88.1	Confident	35 Å²	35	76.9 Å²	76.9	13%	0.132	42%	0.418	C	S	.	.			trans	-156.6	149.9	-176.6	66.8	-167.3	70.1	-168	-9.9	111.9	P27 Q28 H33 G46 Y48 I58 E60	P27-R30 VanDerWaalsContact CB-CZ 3.45Å; Q28-R30 PolarHBondContact O-N 3.37Å; Q28-R30 PolarHBondContact O-NE 2.66Å; Q28-R30 PolarHBondContact O-NH2 3.34Å; R30-H33 HydrophobicContact CG-CB 4.23Å; R30-G46 WeakPolarHBondContact CD-O 3.28Å; R30-Y48 WeakPolarHBondContact CA-O 3.05Å; R30-I58 HydrophobicContact CB-CD1 3.46Å; R30-I58 VanDerWaalsContact CB-CD1 3.46Å; R30-I58 HydrophobicContact CG-CD1 4.36Å; R30-I58 VanDerWaalsContact NH1-CG2 3.28Å; R30-E60 IonicContact CZ-OE2 2.88Å; R30-E60 IonicContact NH1-OE2 3.26Å; R30-E60 PolarHBondContact NH1-OE2 2.93Å; R30-E60 VanDerWaalsContact NH1-OE2 3.11Å; R30-E60 IonicContact NH2-OE2 3.84Å; R30-E60 PolarHBondContact NH2-OE2 2.99Å
31	S	95.2	Very high	89.5	Confident	70 Å²	70	71.8 Å²	71.8	49%	0.49	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-105.5	167.5	171.6	69.3	0	0	0	0	111	H33 G47 Y48	S31-H33 PolarHBondContact O-N 3.16Å; S31-G47 CarbonylContact O-C 3.53Å; S31-G47 WeakPolarHBondContact O-CA 3.28Å; S31-Y48 PolarHBondContact N-O 3.09Å; S31-Y48 PolarHBondContact O-N 2.73Å
32	G	94.8	Very high	90.8	Very high	18 Å²	18	70.5 Å²	70.5	19%	0.186	38%	0.382	C	S	.	.	S	Bend	trans	66.9	0	169.2	0	0	0	0	0	116.9	R34 S86	G32-R34 PolarHBondContact O-NH1 3.27Å; G32-S86 WeakPolarHBondContact O-CA 3.36Å; G32-S86 PolarHBondContact O-N 2.74Å
33	H	96.1	Very high	92.1	Very high	60 Å²	60	67.6 Å²	67.6	28%	0.278	35%	0.347	S	S	.	.			trans	-65.3	163.4	173.4	71.8	-81.5	0	0	0	110.9	R30 S31 S44 V45 G46	R30-H33 HydrophobicContact CG-CB 4.23Å; S31-H33 PolarHBondContact O-N 3.16Å; H33-S44 PolarHBondContact CD2-OG 2.76Å; H33-V45 WeakPolarHBondContact CB-O 3.46Å; H33-G46 VanDerWaalsContact CB-O 3.25Å; H33-G46 WeakPolarHBondContact CB-O 3.47Å
34	R	96.6	Very high	93.4	Very high	89 Å²	89	61.9 Å²	61.9	34%	0.336	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.9	173.8	-64.1	-63	178.5	-99.1	-4.2	111	G32 S44 V45 S86 H87 M89	G32-R34 PolarHBondContact O-NH1 3.27Å; R34-S44 WeakPolarHBondContact O-CA 3.46Å; R34-V45 PolarHBondContact N-O 3.29Å; R34-V45 PolarHBondContact O-N 2.65Å; R34-S86 PolarHBondContact NH2-O 3.04Å; R34-H87 WeakPolarHBondContact CD-O 3.38Å; R34-H87 WeakPolarHBondContact CG-O 3.26Å; R34-H87 VanDerWaalsContact CZ-O 3.25Å; R34-H87 PolarHBondContact NE-O 3.32Å; R34-H87 PolarHBondContact NH2-O 2.89Å; R34-M89 VanDerWaalsContact C-CE 3.46Å; R34-M89 HydrophobicContact CB-CB 3.8Å; R34-M89 HydrophobicContact CB-CE 4.07Å; R34-M89 HydrophobicContact CG-CB 4.43Å; R34-M89 VanDerWaalsContact O-CE 3.29Å; R34-M89 WeakPolarHBondContact O-CE 3.42Å
35	M	96.9	Very high	94.7	Very high	81 Å²	81	59.3 Å²	59.3	40%	0.399	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.4	178.5	-69	175.8	65.2	0	0	109.9	I42 I43 W71 M89	M35-I42 HydrophobicContact CB-CG2 3.93Å; M35-I42 HydrophobicContact CE-CB 4.24Å; M35-I42 HydrophobicContact CE-CG2 3.41Å; M35-I42 VanDerWaalsContact CE-CG2 3.41Å; M35-I42 HydrophobicContact CG-CG2 4.44Å; M35-I43 CarbonylContact C-O 3.45Å; M35-I43 WeakPolarHBondContact CA-O 3.35Å; M35-W71 HydrophobicContact CE-CH2 3.81Å; M35-W71 HydrophobicContact SD-CH2 4.39Å; M35-M89 VanDerWaalsContact CA-CE 3.46Å
36	V	97.1	Very high	95.3	Very high	20 Å²	20	54.5 Å²	54.5	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.8	174	77.2	0	0	0	0	109.2	I42 I43 M89 R91 I96	V36-I42 WeakPolarHBondContact O-CA 3.36Å; V36-I42 WeakPolarHBondContact O-CG2 3.47Å; V36-I43 HydrophobicContact CG1-CB 4.36Å; V36-I43 PolarHBondContact N-O 3.24Å; V36-I43 PolarHBondContact O-N 3.28Å; V36-M89 HydrophobicContact CB-CE 3.76Å; V36-M89 HydrophobicContact CB-CG 4.47Å; V36-M89 HydrophobicContact CG1-CE 3.76Å; V36-M89 HydrophobicContact CG1-CG 4.45Å; V36-M89 HydrophobicContact CG1-SD 4.44Å; V36-M89 VanDerWaalsContact N-CE 3.3Å; V36-R91 HydrophobicContact CG2-CB 3.89Å; V36-I96 HydrophobicContact CG1-CD1 4.04Å; V36-I96 HydrophobicContact CG1-CG1 4.17Å
37	S	96.8	Very high	95.6	Very high	79 Å²	79	48.8 Å²	48.8	55%	0.552	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	137.2	168.7	53.5	0	0	0	0	110.2	L41 R91	S37-L41 WeakPolarHBondContact CA-O 3.35Å; S37-R91 WeakPolarHBondContact O-CD 3.45Å
38	F	96	Very high	95.7	Very high	42 Å²	42	51.8 Å²	51.8	18%	0.184	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	96	173.3	-162.7	-69.5	0	0	0	107.4	E40 L41 I43 R91 Y94 I96	F38-E40 PolarHBondContact O-N 2.96Å; F38-L41 PolarHBondContact N-O 2.84Å; F38-L41 PolarHBondContact O-N 3.08Å; F38-I43 HydrophobicContact CB-CD1 3.7Å; F38-I43 HydrophobicContact CB-CG1 4.1Å; F38-I43 HydrophobicContact CD2-CD1 3.99Å; F38-I43 HydrophobicContact CG-CD1 3.93Å; F38-R91 HydrophobicContact CD2-CG 4.2Å; F38-R91 HydrophobicContact CE2-CG 4.47Å; F38-Y94 HydrophobicContact CE1-CD1 4.46Å; F38-Y94 HydrophobicContact CZ-CD1 4.13Å; F38-I96 HydrophobicContact CD2-CD1 4.27Å; F38-I96 HydrophobicContact CD2-CG1 4.2Å
39	D	94.4	Very high	95.8	Very high	96 Å²	96	48.7 Å²	48.7	51%	0.513	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	-124.6	-167.7	-53.5	-35.1	0	0	0	110	L41 R91	D39-L41 PolarHBondContact O-N 3.32Å; D39-R91 IonicContact OD1-CZ 2.64Å; D39-R91 VanDerWaalsContact OD1-CZ 3.23Å; D39-R91 IonicContact OD1-NH1 3.85Å; D39-R91 PolarHBondContact OD1-NH1 3.35Å; D39-R91 IonicContact OD1-NH2 3.23Å; D39-R91 PolarHBondContact OD1-NH2 2.95Å; D39-R91 IonicContact OD2-NH2 2.76Å
40	E	95.4	Very high	95.8	Very high	130 Å²	130	49.5 Å²	49.5	61%	0.607	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	4.5	-179.9	-59.9	-55.9	145.2	0	0	113.7	F38 P66 H67	F38-E40 PolarHBondContact O-N 2.96Å; E40-P66 WeakPolarHBondContact O-CD 3.5Å; E40-P66 WeakPolarHBondContact O-CG 3.44Å; E40-H67 IonicContact OE2-CE1 3.37Å; E40-H67 PolarHBondContact OE2-CE1 2.84Å; E40-H67 VanDerWaalsContact OE2-CE1 3.26Å; E40-H67 IonicContact OE2-NE2 2.73Å
41	L	96.1	Very high	95.8	Very high	48 Å²	48	55.2 Å²	55.2	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	162	-176.4	-57.9	175.5	0	0	0	110.4	S37 F38 D39 I63 N65	S37-L41 WeakPolarHBondContact CA-O 3.35Å; F38-L41 PolarHBondContact N-O 2.84Å; F38-L41 PolarHBondContact O-N 3.08Å; D39-L41 PolarHBondContact O-N 3.32Å; L41-I63 HydrophobicContact CB-CG2 4.06Å; L41-I63 HydrophobicContact CD1-CG2 3.92Å; L41-I63 HydrophobicContact CD2-CG2 4.36Å; L41-I63 HydrophobicContact CG-CG2 4.35Å; L41-N65 HydrophobicContact CD2-CB 3.66Å
42	I	96.9	Very high	95.7	Very high	45 Å²	45	55.5 Å²	55.5	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.4	171.7	-49	-166.5	0	0	0	109.1	M35 V36 I63 M64	M35-I42 HydrophobicContact CB-CG2 3.93Å; M35-I42 HydrophobicContact CE-CB 4.24Å; M35-I42 HydrophobicContact CE-CG2 3.41Å; M35-I42 VanDerWaalsContact CE-CG2 3.41Å; M35-I42 HydrophobicContact CG-CG2 4.44Å; V36-I42 WeakPolarHBondContact O-CA 3.36Å; V36-I42 WeakPolarHBondContact O-CG2 3.47Å; I42-I63 CarbonylContact O-C 3.58Å; I42-I63 WeakPolarHBondContact O-CA 3.39Å; I42-M64 HydrophobicContact CB-CB 4.33Å; I42-M64 HydrophobicContact CB-CE 3.99Å; I42-M64 HydrophobicContact CD1-CE 3.34Å; I42-M64 HydrophobicContact CG1-CE 3.69Å; I42-M64 PolarHBondContact N-O 3.14Å; I42-M64 PolarHBondContact O-N 2.88Å
43	I	96.8	Very high	95.5	Very high	19 Å²	19	56 Å²	56	10%	0.097	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.4	177.2	-59.1	179.8	0	0	0	107.7	M35 V36 F38 V45 I61 W62 I63 M89 I96	M35-I43 CarbonylContact C-O 3.45Å; M35-I43 WeakPolarHBondContact CA-O 3.35Å; V36-I43 HydrophobicContact CG1-CB 4.36Å; V36-I43 PolarHBondContact N-O 3.24Å; V36-I43 PolarHBondContact O-N 3.28Å; F38-I43 HydrophobicContact CB-CD1 3.7Å; F38-I43 HydrophobicContact CB-CG1 4.1Å; F38-I43 HydrophobicContact CD2-CD1 3.99Å; F38-I43 HydrophobicContact CG-CD1 3.93Å; I43-V45 HydrophobicContact CG2-CG2 4.04Å; I43-I61 HydrophobicContact CG2-CG2 3.85Å; I43-W62 WeakPolarHBondContact CA-O 3.25Å; I43-I63 HydrophobicContact CG1-CG1 4.3Å; I43-M89 WeakPolarHBondContact O-CE 3.41Å; I43-I96 HydrophobicContact CB-CD1 3.99Å; I43-I96 HydrophobicContact CD1-CD1 3.34Å; I43-I96 HydrophobicContact CG1-CD1 4.19Å; I43-I96 HydrophobicContact CG2-CD1 3.86Å
44	S	96.7	Very high	95.2	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130	174.2	-177.7	0	0	0	0	109.4	H33 R34 I61 W62	H33-S44 PolarHBondContact CD2-OG 2.76Å; R34-S44 WeakPolarHBondContact O-CA 3.46Å; S44-I61 WeakPolarHBondContact O-CA 3.2Å; S44-W62 PolarHBondContact N-O 3.35Å; S44-W62 PolarHBondContact O-N 3.06Å
45	V	95.8	Very high	94.9	Very high	6 Å²	6	63.3 Å²	63.3	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.7	-179.7	-174.1	0	0	0	0	110.4	H33 R34 I43 I61 L84 H87 M89 L98	H33-V45 WeakPolarHBondContact CB-O 3.46Å; R34-V45 PolarHBondContact N-O 3.29Å; R34-V45 PolarHBondContact O-N 2.65Å; I43-V45 HydrophobicContact CG2-CG2 4.04Å; V45-I61 HydrophobicContact CG1-CG1 4.04Å; V45-I61 HydrophobicContact CG2-CG1 4.18Å; V45-I61 HydrophobicContact CG2-CG2 4.2Å; V45-L84 HydrophobicContact CG1-CD1 4.3Å; V45-L84 HydrophobicContact CG1-CD2 4.2Å; V45-H87 PolarHBondContact O-CE1 3.34Å; V45-H87 VanDerWaalsContact O-CE1 3.28Å; V45-M89 HydrophobicContact CB-SD 3.92Å; V45-M89 HydrophobicContact CG2-CE 4.18Å; V45-M89 HydrophobicContact CG2-SD 3.46Å; V45-M89 WeakPolarHBondContact CG2-SD 3.36Å; V45-L98 HydrophobicContact CB-CD2 4.28Å; V45-L98 HydrophobicContact CG1-CD2 3.71Å
46	G	95.3	Very high	94.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.			trans	71.5	-146.3	159.8	0	0	0	0	0	115.4	R30 H33 I58 E60	R30-G46 WeakPolarHBondContact CD-O 3.28Å; H33-G46 VanDerWaalsContact CB-O 3.25Å; H33-G46 WeakPolarHBondContact CB-O 3.47Å; G46-I58 CarbonylContact C-O 3.51Å; G46-I58 WeakPolarHBondContact CA-O 3.15Å; G46-E60 PolarHBondContact N-O 2.83Å
47	G	95.8	Very high	94.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.			trans	113.3	-170.6	-178.6	0	0	0	0	0	113.4	S31 I58 L84	S31-G47 CarbonylContact O-C 3.53Å; S31-G47 WeakPolarHBondContact O-CA 3.28Å; G47-I58 PolarHBondContact O-N 2.89Å; G47-L84 PolarHBondContact N-O 3.4Å
48	Y	95.1	Very high	94.4	Very high	83 Å²	83	55.6 Å²	55.6	33%	0.325	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-130.5	137.9	-177.5	-176.2	-91.2	0	0	0	111.2	R30 S31 T50 G56	R30-Y48 WeakPolarHBondContact CA-O 3.05Å; S31-Y48 PolarHBondContact N-O 3.09Å; S31-Y48 PolarHBondContact O-N 2.73Å; Y48-T50 HydrophobicContact CE1-CG2 3.74Å; Y48-T50 WeakPolarHBondContact OH-CG2 3.23Å; Y48-G56 CarbonylContact C-O 3.45Å; Y48-G56 WeakPolarHBondContact CA-O 3.44Å; Y48-G56 VanDerWaalsContact CD2-C 3.46Å; Y48-G56 WeakPolarHBondContact CD2-O 3.15Å; Y48-G56 VanDerWaalsContact CE2-CA 3.49Å
49	S	95.2	Very high	94.3	Very high	13 Å²	13	56.8 Å²	56.8	9%	0.091	28%	0.283	C	S	.	.			trans	-156.2	125.6	168.6	178.8	0	0	0	0	111	E51 H52 S53 G56	S49-E51 PolarHBondContact O-N 3.46Å; S49-E51 PolarHBondContact OG-N 2.72Å; S49-E51 VanDerWaalsContact OG-N 3.14Å; S49-H52 PolarHBondContact OG-CD2 2.86Å; S49-H52 PolarHBondContact OG-N 3.11Å; S49-S53 PolarHBondContact O-N 3.27Å; S49-G56 PolarHBondContact N-O 2.88Å; S49-G56 WeakPolarHBondContact O-CA 3.38Å
50	T	93.9	Very high	94.2	Very high	105 Å²	105	56 Å²	56	64%	0.644	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.3	170.6	49.7	0	0	0	0	113.3	Y48	Y48-T50 HydrophobicContact CE1-CG2 3.74Å; Y48-T50 WeakPolarHBondContact OH-CG2 3.23Å
51	E	95	Very high	94.2	Very high	154 Å²	154	50.9 Å²	50.9	72%	0.72	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-23.7	-178	-64	-178.6	-175.8	0	0	112.7	S49	S49-E51 PolarHBondContact O-N 3.46Å; S49-E51 PolarHBondContact OG-N 2.72Å; S49-E51 VanDerWaalsContact OG-N 3.14Å
52	H	92.3	Very high	94.2	Very high	77 Å²	77	49 Å²	49	36%	0.356	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	7.3	-171.2	-52.7	-49	0	0	0	113.7	Q28 P29 S49	Q28-H52 HydrophobicContact CB-CB 4.26Å; Q28-H52 VanDerWaalsContact CB-CD2 3.49Å; Q28-H52 WeakPolarHBondContact CB-CD2 3.46Å; P29-H52 WeakPolarHBondContact CD-NE2 3.4Å; P29-H52 PolarHBondContact O-CD2 2.84Å; P29-H52 VanDerWaalsContact O-CD2 3.29Å; S49-H52 PolarHBondContact OG-CD2 2.86Å; S49-H52 PolarHBondContact OG-N 3.11Å
53	S	91.6	Very high	94.2	Very high	27 Å²	27	47.4 Å²	47.4	19%	0.189	23%	0.234	C	C	.	.			trans	-148.4	133.8	171.6	179.7	0	0	0	0	111.1	S49 N55 G56 M57	S49-S53 PolarHBondContact O-N 3.27Å; S53-N55 VanDerWaalsContact C-N 3.3Å; S53-N55 PolarHBondContact O-N 2.87Å; S53-N55 PolarHBondContact OG-OD1 2.81Å; S53-G56 PolarHBondContact O-N 2.98Å; S53-G56 VanDerWaalsContact O-N 3.09Å; S53-M57 VanDerWaalsContact CB-O 3.28Å; S53-M57 WeakPolarHBondContact CB-O 3.05Å; S53-M57 PolarHBondContact OG-N 2.8Å; S53-M57 PolarHBondContact OG-O 2.86Å
54	E	90.1	Very high	94.1	Very high	212 Å²	212	47.4 Å²	47.4	99%	0.991	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-36.7	-179.2	-66.4	-178.5	174.8	0	0	112.8
55	N	90.7	Very high	94	Very high	91 Å²	91	49.4 Å²	49.4	49%	0.487	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	11	177.1	67.3	8.3	0	0	0	112.7	S53 M57	S53-N55 VanDerWaalsContact C-N 3.3Å; S53-N55 PolarHBondContact O-N 2.87Å; S53-N55 PolarHBondContact OG-OD1 2.81Å; N55-M57 PolarHBondContact O-N 2.9Å; N55-M57 VanDerWaalsContact O-N 3.1Å; N55-M57 WeakPolarHBondContact OD1-CA 3.15Å; N55-M57 VanDerWaalsContact OD1-CB 3.28Å; N55-M57 WeakPolarHBondContact OD1-CB 3.41Å; N55-M57 PolarHBondContact OD1-N 2.82Å; N55-M57 PolarHBondContact OD1-O 2.96Å
56	G	93	Very high	93.7	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	75.4	-18.2	-175	0	0	0	0	0	114.5	Y48 S49 S53	Y48-G56 CarbonylContact C-O 3.45Å; Y48-G56 WeakPolarHBondContact CA-O 3.44Å; Y48-G56 VanDerWaalsContact CD2-C 3.46Å; Y48-G56 WeakPolarHBondContact CD2-O 3.15Å; Y48-G56 VanDerWaalsContact CE2-CA 3.49Å; S49-G56 PolarHBondContact N-O 2.88Å; S49-G56 WeakPolarHBondContact O-CA 3.38Å; S53-G56 PolarHBondContact O-N 2.98Å; S53-G56 VanDerWaalsContact O-N 3.09Å
57	M	93	Very high	93.5	Very high	9 Å²	9	58.2 Å²	58.2	4%	0.044	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-87.8	126.3	-175.5	-167.6	61.8	63.8	0	0	111.8	S53 N55 K59 E82 L84 A85	S53-M57 VanDerWaalsContact CB-O 3.28Å; S53-M57 WeakPolarHBondContact CB-O 3.05Å; S53-M57 PolarHBondContact OG-N 2.8Å; S53-M57 PolarHBondContact OG-O 2.86Å; N55-M57 PolarHBondContact O-N 2.9Å; N55-M57 VanDerWaalsContact O-N 3.1Å; N55-M57 WeakPolarHBondContact OD1-CA 3.15Å; N55-M57 VanDerWaalsContact OD1-CB 3.28Å; N55-M57 WeakPolarHBondContact OD1-CB 3.41Å; N55-M57 PolarHBondContact OD1-N 2.82Å; N55-M57 PolarHBondContact OD1-O 2.96Å; M57-K59 HydrophobicContact CG-CG 4.35Å; M57-E82 WeakPolarHBondContact CG-O 3.37Å; M57-L84 HydrophobicContact SD-CB 4Å; M57-L84 PolarHBondContact SD-N 3.23Å; M57-A85 HydrophobicContact CE-CB 3.74Å; M57-A85 HydrophobicContact SD-CB 3.93Å; M57-A85 PolarHBondContact SD-N 3.2Å
58	I	94	Very high	93.2	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.036	32%	0.315	C	S	.	.			trans	-98.4	128.4	173.7	-56.8	177.2	0	0	0	108.8	R30 G46 G47 E60	R30-I58 HydrophobicContact CB-CD1 3.46Å; R30-I58 VanDerWaalsContact CB-CD1 3.46Å; R30-I58 HydrophobicContact CG-CD1 4.36Å; R30-I58 VanDerWaalsContact NH1-CG2 3.28Å; G46-I58 CarbonylContact C-O 3.51Å; G46-I58 WeakPolarHBondContact CA-O 3.15Å; G47-I58 PolarHBondContact O-N 2.89Å; I58-E60 HydrophobicContact CG2-CB 3.94Å; I58-E60 HydrophobicContact CG2-CG 3.83Å
59	K	92.6	Very high	92.8	Very high	68 Å²	68	62.7 Å²	62.7	30%	0.296	32%	0.32	S	S	.	.			trans	-112.4	19.5	-179.2	-60.7	-174.2	177	-179.9	0	113.2	M57 I80 E82 L84	M57-K59 HydrophobicContact CG-CG 4.35Å; K59-I80 HydrophobicContact CB-CD1 4Å; K59-I80 HydrophobicContact CD-CG2 4.07Å; K59-I80 WeakPolarHBondContact O-CD1 3.12Å; K59-E82 IonicContact NZ-OE1 3.11Å; K59-E82 PolarHBondContact NZ-OE1 3.39Å; K59-E82 IonicContact NZ-OE2 2.72Å; K59-E82 PolarHBondContact NZ-OE2 2.83Å; K59-L84 HydrophobicContact CB-CD1 4.28Å; K59-L84 HydrophobicContact CG-CD1 4.23Å
60	E	93.7	Very high	92.5	Very high	79 Å²	79	64.7 Å²	64.7	37%	0.369	33%	0.333	S	S	.	.			trans	-82.9	149.4	179.7	-60.1	172	169.4	0	0	111.5	R30 G46 I58 W62	R30-E60 IonicContact CZ-OE2 2.88Å; R30-E60 IonicContact NH1-OE2 3.26Å; R30-E60 PolarHBondContact NH1-OE2 2.93Å; R30-E60 VanDerWaalsContact NH1-OE2 3.11Å; R30-E60 IonicContact NH2-OE2 3.84Å; R30-E60 PolarHBondContact NH2-OE2 2.99Å; G46-E60 PolarHBondContact N-O 2.83Å; I58-E60 HydrophobicContact CG2-CB 3.94Å; I58-E60 HydrophobicContact CG2-CG 3.83Å; E60-W62 PolarHBondContact OE2-NE1 2.89Å
61	I	95.3	Very high	92.5	Very high	23 Å²	23	63 Å²	63	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.7	169.5	-58.5	168	0	0	0	107.6	I43 S44 V45 F74 T76 I80	I43-I61 HydrophobicContact CG2-CG2 3.85Å; S44-I61 WeakPolarHBondContact O-CA 3.2Å; V45-I61 HydrophobicContact CG1-CG1 4.04Å; V45-I61 HydrophobicContact CG2-CG1 4.18Å; V45-I61 HydrophobicContact CG2-CG2 4.2Å; I61-F74 HydrophobicContact CB-CB 4.37Å; I61-F74 HydrophobicContact CG2-CB 3.98Å; I61-F74 HydrophobicContact CG2-CD1 4.06Å; I61-F74 HydrophobicContact CG2-CG 4.48Å; I61-F74 PolarHBondContact O-N 2.8Å; I61-T76 HydrophobicContact CD1-CG2 3.35Å; I61-I80 HydrophobicContact CD1-CD1 4.44Å
62	W	96.4	Very high	92.4	Very high	9 Å²	9	62.5 Å²	62.5	3%	0.034	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.1	179.7	-70.8	84.9	0	0	0	110.7	P24 P27 I43 S44 E60 W71 R72 P73	P24-W62 HydrophobicContact CB-CH2 4.28Å; P24-W62 HydrophobicContact CG-CH2 4.29Å; P27-W62 HydrophobicContact CB-CD2 4.31Å; P27-W62 HydrophobicContact CB-CG 4.15Å; P27-W62 HydrophobicContact CG-CB 3.86Å; P27-W62 HydrophobicContact CG-CD2 3.82Å; P27-W62 HydrophobicContact CG-CE3 4.4Å; P27-W62 HydrophobicContact CG-CG 3.55Å; I43-W62 WeakPolarHBondContact CA-O 3.25Å; S44-W62 PolarHBondContact N-O 3.35Å; S44-W62 PolarHBondContact O-N 3.06Å; E60-W62 PolarHBondContact OE2-NE1 2.89Å; W62-W71 HydrophobicContact CB-CE3 3.9Å; W62-W71 HydrophobicContact CB-CZ3 4.25Å; W62-W71 HydrophobicContact CE3-CB 3.95Å; W62-W71 HydrophobicContact CZ3-CB 4.3Å; W62-R72 WeakPolarHBondContact CA-O 3.5Å; W62-P73 HydrophobicContact CE3-CB 4.46Å; W62-P73 HydrophobicContact CH2-CB 4.39Å; W62-P73 HydrophobicContact CZ3-CB 4.35Å
63	I	96.3	Very high	92.5	Very high	10 Å²	10	63.2 Å²	63.2	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.5	172.5	-64.1	175.8	0	0	0	107.9	L41 I42 I43 W71 R72 F74	L41-I63 HydrophobicContact CB-CG2 4.06Å; L41-I63 HydrophobicContact CD1-CG2 3.92Å; L41-I63 HydrophobicContact CD2-CG2 4.36Å; L41-I63 HydrophobicContact CG-CG2 4.35Å; I42-I63 CarbonylContact O-C 3.58Å; I42-I63 WeakPolarHBondContact O-CA 3.39Å; I43-I63 HydrophobicContact CG1-CG1 4.3Å; I63-W71 CarbonylContact O-C 3.55Å; I63-W71 VanDerWaalsContact O-CA 3.26Å; I63-W71 WeakPolarHBondContact O-CA 3.37Å; I63-R72 HydrophobicContact CB-CG 3.92Å; I63-R72 HydrophobicContact CG2-CG 4.5Å; I63-R72 PolarHBondContact N-O 2.87Å; I63-R72 PolarHBondContact O-N 2.78Å; I63-F74 HydrophobicContact CD1-CB 3.9Å; I63-F74 HydrophobicContact CD1-CD2 3.35Å; I63-F74 HydrophobicContact CD1-CE2 3.99Å; I63-F74 HydrophobicContact CD1-CG 3.73Å; I63-F74 HydrophobicContact CG1-CB 3.94Å; I63-F74 HydrophobicContact CG1-CD2 4.32Å; I63-F74 HydrophobicContact CG1-CG 4.23Å
64	M	94.9	Very high	92.6	Very high	19 Å²	19	66.6 Å²	66.6	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130	171.9	-170	-85.1	-75.5	0	0	109.5	I42 P66 S70 W71	I42-M64 HydrophobicContact CB-CB 4.33Å; I42-M64 HydrophobicContact CB-CE 3.99Å; I42-M64 HydrophobicContact CD1-CE 3.34Å; I42-M64 HydrophobicContact CG1-CE 3.69Å; I42-M64 PolarHBondContact N-O 3.14Å; I42-M64 PolarHBondContact O-N 2.88Å; M64-P66 HydrophobicContact CE-CB 4.13Å; M64-P66 WeakPolarHBondContact SD-CA 3.48Å; M64-P66 HydrophobicContact SD-CB 3.91Å; M64-P66 HydrophobicContact SD-CG 4.47Å; M64-S70 CarbonylContact C-O 3.57Å; M64-S70 WeakPolarHBondContact CA-O 3.38Å; M64-W71 HydrophobicContact CB-CD2 3.71Å; M64-W71 HydrophobicContact CB-CE3 3.59Å; M64-W71 HydrophobicContact CB-CG 4.46Å; M64-W71 HydrophobicContact CB-CH2 3.79Å; M64-W71 HydrophobicContact CB-CZ2 3.89Å; M64-W71 HydrophobicContact CB-CZ3 3.64Å; M64-W71 HydrophobicContact CG-CD2 3.76Å; M64-W71 VanDerWaalsContact CG-CE2 3.43Å; M64-W71 HydrophobicContact CG-CE3 4.15Å; M64-W71 HydrophobicContact CG-CG 4.32Å; M64-W71 HydrophobicContact CG-CH2 4Å; M64-W71 HydrophobicContact CG-CZ2 3.57Å; M64-W71 HydrophobicContact CG-CZ3 4.27Å
65	N	93.6	Very high	92.6	Very high	43 Å²	43	65.3 Å²	65.3	23%	0.23	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.1	168	-177.1	-20.7	0	0	0	109	L41 H67 T68 E69 S70	L41-N65 HydrophobicContact CD2-CB 3.66Å; N65-H67 VanDerWaalsContact C-N 3.25Å; N65-H67 PolarHBondContact O-N 3.35Å; N65-H67 WeakPolarHBondContact OD1-CB 3.29Å; N65-H67 PolarHBondContact OD1-N 3.22Å; N65-H67 PolarHBondContact OD1-ND1 3.31Å; N65-T68 WeakPolarHBondContact CB-OG1 3.37Å; N65-T68 PolarHBondContact O-N 3.29Å; N65-E69 WeakPolarHBondContact O-CA 3.35Å; N65-E69 PolarHBondContact O-N 3.33Å; N65-S70 PolarHBondContact N-O 2.94Å; N65-S70 PolarHBondContact O-N 3.44Å
66	P	90	Very high	92.5	Very high	57 Å²	57	64.6 Å²	64.6	37%	0.37	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.1	-176.8	26.6	-33.5	0	0	0	112.9	E40 M64	E40-P66 WeakPolarHBondContact O-CD 3.5Å; E40-P66 WeakPolarHBondContact O-CG 3.44Å; M64-P66 HydrophobicContact CE-CB 4.13Å; M64-P66 WeakPolarHBondContact SD-CA 3.48Å; M64-P66 HydrophobicContact SD-CB 3.91Å; M64-P66 HydrophobicContact SD-CG 4.47Å
67	H	90.3	Very high	92.4	Very high	135 Å²	135	71.3 Å²	71.3	63%	0.625	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-29.9	179.4	-58.8	92.7	0	0	0	112.8	E40 N65	E40-H67 IonicContact OE2-CE1 3.37Å; E40-H67 PolarHBondContact OE2-CE1 2.84Å; E40-H67 VanDerWaalsContact OE2-CE1 3.26Å; E40-H67 IonicContact OE2-NE2 2.73Å; N65-H67 VanDerWaalsContact C-N 3.25Å; N65-H67 PolarHBondContact O-N 3.35Å; N65-H67 WeakPolarHBondContact OD1-CB 3.29Å; N65-H67 PolarHBondContact OD1-N 3.22Å; N65-H67 PolarHBondContact OD1-ND1 3.31Å
68	T	89.5	Confident	92.2	Very high	85 Å²	85	74.5 Å²	74.5	52%	0.521	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	1.9	-179	61.7	0	0	0	0	113	N65 S70	N65-T68 WeakPolarHBondContact CB-OG1 3.37Å; N65-T68 PolarHBondContact O-N 3.29Å; T68-S70 PolarHBondContact O-N 2.89Å; T68-S70 PolarHBondContact OG1-OG 3.35Å
69	E	87.6	Confident	91.8	Very high	92 Å²	92	80.7 Å²	80.7	43%	0.43	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	32.9	-176.8	-58.3	-178.5	179.9	0	0	113.1	L14 N65	L14-E69 HydrophobicContact CD1-CG 4.45Å; N65-E69 WeakPolarHBondContact O-CA 3.35Å; N65-E69 PolarHBondContact O-N 3.33Å
70	S	89.1	Confident	91.5	Very high	54 Å²	54	79.9 Å²	79.9	38%	0.378	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.8	-173.3	67.2	0	0	0	0	111.4	M64 N65 T68	M64-S70 CarbonylContact C-O 3.57Å; M64-S70 WeakPolarHBondContact CA-O 3.38Å; N65-S70 PolarHBondContact N-O 2.94Å; N65-S70 PolarHBondContact O-N 3.44Å; T68-S70 PolarHBondContact O-N 2.89Å; T68-S70 PolarHBondContact OG1-OG 3.35Å
71	W	92.8	Very high	91.2	Very high	70 Å²	70	79.1 Å²	79.1	27%	0.265	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.2	172.5	-58.7	74.9	0	0	0	110.1	R25 R26 P27 M35 W62 I63 M64	R25-W71 WeakPolarHBondContact O-CB 3.21Å; R26-W71 HydrophobicContact CB-CB 4.29Å; R26-W71 HydrophobicContact CB-CG 4.01Å; P27-W71 VanDerWaalsContact CD-CE3 3.48Å; P27-W71 HydrophobicContact CG-CD2 4.16Å; P27-W71 HydrophobicContact CG-CE3 3.61Å; P27-W71 HydrophobicContact CG-CH2 4.36Å; P27-W71 HydrophobicContact CG-CZ3 3.71Å; M35-W71 HydrophobicContact CE-CH2 3.81Å; M35-W71 HydrophobicContact SD-CH2 4.39Å; W62-W71 HydrophobicContact CB-CE3 3.9Å; W62-W71 HydrophobicContact CB-CZ3 4.25Å; W62-W71 HydrophobicContact CE3-CB 3.95Å; W62-W71 HydrophobicContact CZ3-CB 4.3Å; I63-W71 CarbonylContact O-C 3.55Å; I63-W71 VanDerWaalsContact O-CA 3.26Å; I63-W71 WeakPolarHBondContact O-CA 3.37Å; M64-W71 HydrophobicContact CB-CD2 3.71Å; M64-W71 HydrophobicContact CB-CE3 3.59Å; M64-W71 HydrophobicContact CB-CG 4.46Å; M64-W71 HydrophobicContact CB-CH2 3.79Å; M64-W71 HydrophobicContact CB-CZ2 3.89Å; M64-W71 HydrophobicContact CB-CZ3 3.64Å; M64-W71 HydrophobicContact CG-CD2 3.76Å; M64-W71 VanDerWaalsContact CG-CE2 3.43Å; M64-W71 HydrophobicContact CG-CE3 4.15Å; M64-W71 HydrophobicContact CG-CG 4.32Å; M64-W71 HydrophobicContact CG-CH2 4Å; M64-W71 HydrophobicContact CG-CZ2 3.57Å; M64-W71 HydrophobicContact CG-CZ3 4.27Å
72	R	92.9	Very high	90.8	Very high	143 Å²	143	83.7 Å²	83.7	54%	0.54	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.7	169.6	62.7	-179.1	-178.7	168.6	0.2	110.5	W62 I63	W62-R72 WeakPolarHBondContact CA-O 3.5Å; I63-R72 HydrophobicContact CB-CG 3.92Å; I63-R72 HydrophobicContact CG2-CG 4.5Å; I63-R72 PolarHBondContact N-O 2.87Å; I63-R72 PolarHBondContact O-N 2.78Å
73	P	94.6	Very high	90.3	Very high	92 Å²	92	86.1 Å²	86.1	60%	0.597	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	145.9	170.5	29.4	-34.1	0	0	0	109.2	W62	W62-P73 HydrophobicContact CE3-CB 4.46Å; W62-P73 HydrophobicContact CH2-CB 4.39Å; W62-P73 HydrophobicContact CZ3-CB 4.35Å
74	F	93.8	Very high	90	Very high	98 Å²	98	85.7 Å²	85.7	43%	0.43	47%	0.474	S	S	.	.			trans	-122.3	120	175.6	-173.3	-104.1	0	0	0	109.6	I61 I63 T76	I61-F74 HydrophobicContact CB-CB 4.37Å; I61-F74 HydrophobicContact CG2-CB 3.98Å; I61-F74 HydrophobicContact CG2-CD1 4.06Å; I61-F74 HydrophobicContact CG2-CG 4.48Å; I61-F74 PolarHBondContact O-N 2.8Å; I63-F74 HydrophobicContact CD1-CB 3.9Å; I63-F74 HydrophobicContact CD1-CD2 3.35Å; I63-F74 HydrophobicContact CD1-CE2 3.99Å; I63-F74 HydrophobicContact CD1-CG 3.73Å; I63-F74 HydrophobicContact CG1-CB 3.94Å; I63-F74 HydrophobicContact CG1-CD2 4.32Å; I63-F74 HydrophobicContact CG1-CG 4.23Å; F74-T76 HydrophobicContact CD1-CG2 3.8Å; F74-T76 HydrophobicContact CE1-CG2 3.72Å
75	Q	90.5	Very high	89.9	Confident	185 Å²	185	85.2 Å²	85.2	86%	0.864	47%	0.473	S	S	*	.			trans	-85.2	135.3	176.1	-69.1	-177.6	-35.5	0	0	109.6
76	T	89.1	Confident	89.8	Confident	76 Å²	76	86.5 Å²	86.5	47%	0.466	49%	0.486	S	S	.	.			trans	-115.2	160.6	174.1	49.1	0	0	0	0	110.2	I61 F74	I61-T76 HydrophobicContact CD1-CG2 3.35Å; F74-T76 HydrophobicContact CD1-CG2 3.8Å; F74-T76 HydrophobicContact CE1-CG2 3.72Å
77	T	90.2	Very high	89.9	Confident	144 Å²	144	84 Å²	84	88%	0.883	47%	0.469	S	S	*	.			trans	-108.7	160.6	171.8	57.4	0	0	0	0	109.8
78	G	89.5	Confident	90.1	Very high	76 Å²	76	80.1 Å²	80.1	78%	0.784	46%	0.46	S	S	*	.	S	Bend	trans	88.9	-167	-178.9	0	0	0	0	0	113.7	I80	G78-I80 PolarHBondContact O-N 2.86Å
79	C	84.8	Confident	90.4	Very high	137 Å²	137	77.5 Å²	77.5	93%	0.926	44%	0.442	S	S	*	.			trans	-86.5	109.9	-178.5	-60.8	0	0	0	0	110.1
80	I	85.9	Confident	90.9	Very high	51 Å²	51	76.8 Å²	76.8	26%	0.262	44%	0.444	S	S	.	.			trans	-70.9	139.1	168.3	-168.8	157.4	0	0	0	109.6	K59 I61 G78 L84	K59-I80 HydrophobicContact CB-CD1 4Å; K59-I80 HydrophobicContact CD-CG2 4.07Å; K59-I80 WeakPolarHBondContact O-CD1 3.12Å; I61-I80 HydrophobicContact CD1-CD1 4.44Å; G78-I80 PolarHBondContact O-N 2.86Å; I80-L84 HydrophobicContact CD1-CD1 3.87Å; I80-L84 HydrophobicContact CG1-CD1 3.77Å
81	P	87.9	Confident	91.2	Very high	62 Å²	62	78 Å²	78	40%	0.403	44%	0.44	S	S	.	.			trans	-57.3	143.9	176.6	-25.8	35.1	0	0	0	112.1	L84	P81-L84 HydrophobicContact CB-CD2 3.95Å; P81-L84 HydrophobicContact CB-CG 4.34Å; P81-L84 HydrophobicContact CG-CD2 4.15Å
82	E	86.7	Confident	91.4	Very high	120 Å²	120	79.8 Å²	79.8	56%	0.561	45%	0.454	S	S	*	.	S	Bend	trans	-69.7	-36.4	177.4	-68.8	-58.2	114.8	0	0	111.8	M57 K59	M57-E82 WeakPolarHBondContact CG-O 3.37Å; K59-E82 IonicContact NZ-OE1 3.11Å; K59-E82 PolarHBondContact NZ-OE1 3.39Å; K59-E82 IonicContact NZ-OE2 2.72Å; K59-E82 PolarHBondContact NZ-OE2 2.83Å
83	N	86.7	Confident	91.5	Very high	59 Å²	59	75.3 Å²	75.3	32%	0.316	45%	0.453	S	S	.	.			trans	-104.9	105.2	-177.9	-64.1	-30.7	0	0	0	110.5	D103	N83-D103 WeakPolarHBondContact OD1-CA 3.49Å
84	L	90.8	Very high	91.5	Very high	1 Å²	1	80.7 Å²	80.7	1%	0.005	46%	0.462	C	S	.	.			trans	-120.4	12.7	178.9	-68.9	176.4	0	0	0	112.9	V45 G47 M57 K59 I80 P81 H87 L98	V45-L84 HydrophobicContact CG1-CD1 4.3Å; V45-L84 HydrophobicContact CG1-CD2 4.2Å; G47-L84 PolarHBondContact N-O 3.4Å; M57-L84 HydrophobicContact SD-CB 4Å; M57-L84 PolarHBondContact SD-N 3.23Å; K59-L84 HydrophobicContact CB-CD1 4.28Å; K59-L84 HydrophobicContact CG-CD1 4.23Å; I80-L84 HydrophobicContact CD1-CD1 3.87Å; I80-L84 HydrophobicContact CG1-CD1 3.77Å; P81-L84 HydrophobicContact CB-CD2 3.95Å; P81-L84 HydrophobicContact CB-CG 4.34Å; P81-L84 HydrophobicContact CG-CD2 4.15Å; L84-H87 PolarHBondContact O-CE1 2.74Å; L84-H87 PolarHBondContact O-ND1 3.49Å; L84-L98 HydrophobicContact CD2-CD2 3.69Å
85	A	90.8	Very high	91.4	Very high	10 Å²	10	79.5 Å²	79.5	8%	0.083	47%	0.466	C	S	.	.	B	Isolated β-bridge	trans	-87.2	128.5	169.4	0	0	0	0	0	110.1	M57 H87 G101 A102	M57-A85 HydrophobicContact CE-CB 3.74Å; M57-A85 HydrophobicContact SD-CB 3.93Å; M57-A85 PolarHBondContact SD-N 3.2Å; A85-H87 PolarHBondContact O-N 3.31Å; A85-H87 VanDerWaalsContact O-N 3.08Å; A85-G101 CarbonylContact O-C 3.6Å; A85-G101 VanDerWaalsContact O-CA 3.23Å; A85-G101 WeakPolarHBondContact O-CA 3.36Å; A85-A102 PolarHBondContact O-N 3.36Å
86	S	91.6	Very high	91.6	Very high	70 Å²	70	73 Å²	73	49%	0.49	44%	0.437	S	S	.	.	S	Bend	trans	58.9	22.7	172.2	-62.1	0	0	0	0	115.8	G32 R34	G32-S86 WeakPolarHBondContact O-CA 3.36Å; G32-S86 PolarHBondContact O-N 2.74Å; R34-S86 PolarHBondContact NH2-O 3.04Å
87	H	93.7	Very high	91.8	Very high	5 Å²	5	72.5 Å²	72.5	2%	0.023	43%	0.434	C	S	.	.			trans	-67.1	176.8	176.3	63.9	-80.6	0	0	0	112.5	R34 V45 L84 A85 G100	R34-H87 WeakPolarHBondContact CD-O 3.38Å; R34-H87 WeakPolarHBondContact CG-O 3.26Å; R34-H87 VanDerWaalsContact CZ-O 3.25Å; R34-H87 PolarHBondContact NE-O 3.32Å; R34-H87 PolarHBondContact NH2-O 2.89Å; V45-H87 PolarHBondContact O-CE1 3.34Å; V45-H87 VanDerWaalsContact O-CE1 3.28Å; L84-H87 PolarHBondContact O-CE1 2.74Å; L84-H87 PolarHBondContact O-ND1 3.49Å; A85-H87 PolarHBondContact O-N 3.31Å; A85-H87 VanDerWaalsContact O-N 3.08Å; H87-G100 WeakPolarHBondContact CB-O 3.33Å
88	A	94.7	Very high	91.9	Very high	53 Å²	53	68.5 Å²	68.5	44%	0.438	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.9	167.4	0	0	0	0	0	109.6	L98 F99	A88-L98 WeakPolarHBondContact O-CA 3.44Å; A88-F99 PolarHBondContact N-O 3.37Å; A88-F99 PolarHBondContact O-N 3.2Å
89	M	95.8	Very high	92	Very high	29 Å²	29	72.8 Å²	72.8	14%	0.143	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.7	-179	-171.8	166.7	73.6	0	0	110.7	R34 M35 V36 I43 V45 I96 V97 L98	R34-M89 VanDerWaalsContact C-CE 3.46Å; R34-M89 HydrophobicContact CB-CB 3.8Å; R34-M89 HydrophobicContact CB-CE 4.07Å; R34-M89 HydrophobicContact CG-CB 4.43Å; R34-M89 VanDerWaalsContact O-CE 3.29Å; R34-M89 WeakPolarHBondContact O-CE 3.42Å; M35-M89 VanDerWaalsContact CA-CE 3.46Å; V36-M89 HydrophobicContact CB-CE 3.76Å; V36-M89 HydrophobicContact CB-CG 4.47Å; V36-M89 HydrophobicContact CG1-CE 3.76Å; V36-M89 HydrophobicContact CG1-CG 4.45Å; V36-M89 HydrophobicContact CG1-SD 4.44Å; V36-M89 VanDerWaalsContact N-CE 3.3Å; I43-M89 WeakPolarHBondContact O-CE 3.41Å; V45-M89 HydrophobicContact CB-SD 3.92Å; V45-M89 HydrophobicContact CG2-CE 4.18Å; V45-M89 HydrophobicContact CG2-SD 3.46Å; V45-M89 WeakPolarHBondContact CG2-SD 3.36Å; M89-I96 HydrophobicContact CG-CG2 3.48Å; M89-I96 VanDerWaalsContact CG-CG2 3.48Å; M89-I96 HydrophobicContact SD-CG2 3.71Å; M89-V97 WeakPolarHBondContact CA-O 3.38Å; M89-L98 HydrophobicContact CG-CG 4.37Å; M89-L98 HydrophobicContact SD-CG 4.46Å
90	V	96.4	Very high	92.3	Very high	77 Å²	77	68.7 Å²	68.7	47%	0.467	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149	178	67	0	0	0	0	111	I92 I96 V97	V90-I92 HydrophobicContact CG1-CD1 4.42Å; V90-I92 HydrophobicContact CG1-CG1 4.27Å; V90-I96 WeakPolarHBondContact O-CA 3.49Å; V90-V97 HydrophobicContact CG1-CB 4.05Å; V90-V97 PolarHBondContact N-O 3.31Å; V90-V97 PolarHBondContact O-N 3.34Å
91	R	96.5	Very high	92.3	Very high	81 Å²	81	68 Å²	68	31%	0.306	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.3	171.6	177.8	-171	171.5	179.2	8.7	109.7	V36 S37 F38 D39 G93 S95	V36-R91 HydrophobicContact CG2-CB 3.89Å; S37-R91 WeakPolarHBondContact O-CD 3.45Å; F38-R91 HydrophobicContact CD2-CG 4.2Å; F38-R91 HydrophobicContact CE2-CG 4.47Å; D39-R91 IonicContact OD1-CZ 2.64Å; D39-R91 VanDerWaalsContact OD1-CZ 3.23Å; D39-R91 IonicContact OD1-NH1 3.85Å; D39-R91 PolarHBondContact OD1-NH1 3.35Å; D39-R91 IonicContact OD1-NH2 3.23Å; D39-R91 PolarHBondContact OD1-NH2 2.95Å; D39-R91 IonicContact OD2-NH2 2.76Å; R91-G93 PolarHBondContact NE-O 3.26Å; R91-G93 PolarHBondContact NH2-O 3.43Å; R91-S95 WeakPolarHBondContact CA-O 3.48Å
92	I	96.2	Very high	91.9	Very high	106 Å²	106	67.3 Å²	67.3	54%	0.544	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	104	171.2	-53.5	-177.4	0	0	0	108.1	V90 Y94 S95 V97	V90-I92 HydrophobicContact CG1-CD1 4.42Å; V90-I92 HydrophobicContact CG1-CG1 4.27Å; I92-Y94 PolarHBondContact O-N 3.42Å; I92-Y94 VanDerWaalsContact O-N 3.17Å; I92-S95 PolarHBondContact N-O 3.17Å; I92-S95 WeakPolarHBondContact O-CB 3.17Å; I92-S95 PolarHBondContact O-N 3.48Å; I92-V97 HydrophobicContact CD1-CG2 3.77Å; I92-V97 HydrophobicContact CG1-CG2 4.22Å
93	G	95.2	Very high	91	Very high	50 Å²	50	66.2 Å²	66.2	52%	0.515	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-117.4	-174.4	0	0	0	0	0	111.6	R91	R91-G93 PolarHBondContact NE-O 3.26Å; R91-G93 PolarHBondContact NH2-O 3.43Å
94	Y	93.8	Very high	89.6	Confident	204 Å²	204	66.5 Å²	66.5	80%	0.8	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	7.7	175.2	-62.5	-71.7	0	0	0	113.8	F38 I92	F38-Y94 HydrophobicContact CE1-CD1 4.46Å; F38-Y94 HydrophobicContact CZ-CD1 4.13Å; I92-Y94 PolarHBondContact O-N 3.42Å; I92-Y94 VanDerWaalsContact O-N 3.17Å
95	S	93	Very high	87.5	Confident	73 Å²	73	77 Å²	77	51%	0.51	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.6	-180	-61.4	0	0	0	0	111.4	R91 I92	R91-S95 WeakPolarHBondContact CA-O 3.48Å; I92-S95 PolarHBondContact N-O 3.17Å; I92-S95 WeakPolarHBondContact O-CB 3.17Å; I92-S95 PolarHBondContact O-N 3.48Å
96	I	93.5	Very high	87.3	Confident	50 Å²	50	80.4 Å²	80.4	26%	0.256	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.1	165.9	-66.3	168	0	0	0	107.6	V36 F38 I43 M89 V90 L98	V36-I96 HydrophobicContact CG1-CD1 4.04Å; V36-I96 HydrophobicContact CG1-CG1 4.17Å; F38-I96 HydrophobicContact CD2-CD1 4.27Å; F38-I96 HydrophobicContact CD2-CG1 4.2Å; I43-I96 HydrophobicContact CB-CD1 3.99Å; I43-I96 HydrophobicContact CD1-CD1 3.34Å; I43-I96 HydrophobicContact CG1-CD1 4.19Å; I43-I96 HydrophobicContact CG2-CD1 3.86Å; M89-I96 HydrophobicContact CG-CG2 3.48Å; M89-I96 VanDerWaalsContact CG-CG2 3.48Å; M89-I96 HydrophobicContact SD-CG2 3.71Å; V90-I96 WeakPolarHBondContact O-CA 3.49Å; I96-L98 HydrophobicContact CG2-CD1 3.94Å
97	V	93.2	Very high	87.1	Confident	65 Å²	65	80.9 Å²	80.9	39%	0.394	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.6	175.2	-178.9	0	0	0	0	108.5	M89 V90 I92	M89-V97 WeakPolarHBondContact CA-O 3.38Å; V90-V97 HydrophobicContact CG1-CB 4.05Å; V90-V97 PolarHBondContact N-O 3.31Å; V90-V97 PolarHBondContact O-N 3.34Å; I92-V97 HydrophobicContact CD1-CG2 3.77Å; I92-V97 HydrophobicContact CG1-CG2 4.22Å
98	L	93.5	Very high	86.7	Confident	59 Å²	59	85.2 Å²	85.2	31%	0.309	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139	172.7	-63	89.3	0	0	0	108.6	V45 L84 A88 M89 I96	V45-L98 HydrophobicContact CB-CD2 4.28Å; V45-L98 HydrophobicContact CG1-CD2 3.71Å; L84-L98 HydrophobicContact CD2-CD2 3.69Å; A88-L98 WeakPolarHBondContact O-CA 3.44Å; M89-L98 HydrophobicContact CG-CG 4.37Å; M89-L98 HydrophobicContact SD-CG 4.46Å; I96-L98 HydrophobicContact CG2-CD1 3.94Å
99	F	90.9	Very high	86.2	Confident	167 Å²	167	87.1 Å²	87.1	73%	0.732	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.3	179	-176	-93.6	0	0	0	111.8	A88	A88-F99 PolarHBondContact N-O 3.37Å; A88-F99 PolarHBondContact O-N 3.2Å
100	G	90.5	Very high	85.7	Confident	50 Å²	50	90.7 Å²	90.7	52%	0.515	51%	0.509	S	S	.	.			trans	65.4	-155	178.6	0	0	0	0	0	113.1	H87	H87-G100 WeakPolarHBondContact CB-O 3.33Å
101	G	87.6	Confident	84.9	Confident	38 Å²	38	91.6 Å²	91.6	39%	0.392	51%	0.512	S	S	.	.			trans	113.5	164.8	-171	0	0	0	0	0	111.2	A85	A85-G101 CarbonylContact O-C 3.6Å; A85-G101 VanDerWaalsContact O-CA 3.23Å; A85-G101 WeakPolarHBondContact O-CA 3.36Å
102	A	78.1	Confident	84.1	Confident	47 Å²	47	92.4 Å²	92.4	39%	0.388	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-103.4	138.3	176.2	0	0	0	0	0	109.9	A85	A85-A102 PolarHBondContact O-N 3.36Å
103	D	68.7	Low	83.2	Confident	97 Å²	97	91.3 Å²	91.3	52%	0.519	53%	0.525	S	S	.	.			trans	-71.8	155.5	155.4	39	10.9	0	0	0	110.4	N83 Q105	N83-D103 WeakPolarHBondContact OD1-CA 3.49Å; D103-Q105 HydrophobicContact CB-CB 4.33Å
104	S	56.6	Low	82.2	Confident	65 Å²	65	94.8 Å²	94.8	46%	0.455	53%	0.526	S	S	.	.			trans	-91.1	26.7	164.6	48.1	0	0	0	0	111.6
105	Q	46.7	Very low	81.1	Confident	222 Å²	222	84.8 Å²	84.8	100%	1.037	50%	0.501	S	S	*	.			trans	-115.4	0	177.7	-66.3	-63	-43.3	0	0	111.1	D103	D103-Q105 HydrophobicContact CB-CB 4.33Å

Retrieved 105 of 105 residues in 38.3 ms (Link to these results)

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