A0A077ZBK4_TRITR Loading...

DUF2464 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	37.5	Very low	237 Å²	237	147.7 Å²	147.7	100%	1.167	76%	0.756	S	S	*	*				0	89.9	0	-167.3	167.7	-174.6	0	0	106.2
2	L	31.3	Very low	37.9	Very low	177 Å²	177	148 Å²	148	93%	0.927	76%	0.759	S	S	*	*			trans	-94.5	114.5	172.7	-75	166.7	0	0	0	105.3
3	E	30.3	Very low	38	Very low	161 Å²	161	141 Å²	141	75%	0.752	74%	0.737	S	S	*	*			trans	-52.6	137.9	180	-77.5	162.8	131.8	0	0	110.9	D5	E3-D5 HydrophobicContact CB-CB 4.25Å; E3-D5 PolarHBondContact O-N 2.98Å
4	C	38.7	Very low	38.7	Very low	111 Å²	111	140.4 Å²	140.4	75%	0.75	73%	0.734	S	S	*	*	S	Bend	trans	-72.5	23.7	175.5	-90.2	0	0	0	0	113.1	D6 V7	C4-D6 PolarHBondContact O-N 3.37Å; C4-V7 WeakPolarHBondContact O-CG2 3.44Å
5	D	32.6	Very low	40.8	Very low	126 Å²	126	133.9 Å²	133.9	67%	0.674	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	28.9	-162	-71.7	-22.2	0	0	0	115.5	E3	E3-D5 HydrophobicContact CB-CB 4.25Å; E3-D5 PolarHBondContact O-N 2.98Å
6	D	38.5	Very low	43.3	Very low	121 Å²	121	128.1 Å²	128.1	65%	0.647	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	37	166.3	-133.8	-23.2	0	0	0	112.8	C4 D8	C4-D6 PolarHBondContact O-N 3.37Å; D6-D8 PolarHBondContact O-N 3.32Å
7	V	40	Very low	46.1	Very low	108 Å²	108	120.7 Å²	120.7	66%	0.655	63%	0.634	S	S	*	*	S	Bend	trans	-83.2	95.5	170.8	-177.1	0	0	0	0	107.8	C4	C4-V7 WeakPolarHBondContact O-CG2 3.44Å
8	D	42.2	Very low	48.7	Very low	110 Å²	110	114.7 Å²	114.7	59%	0.588	60%	0.602	S	S	*	*			trans	80.9	45.6	147.5	-127.2	12.2	0	0	0	118.9	D6 R10	D6-D8 PolarHBondContact O-N 3.32Å; D8-R10 PolarHBondContact O-N 3Å
9	K	41.5	Very low	51.2	Low	193 Å²	193	108.7 Å²	108.7	84%	0.839	57%	0.57	S	S	*	*			trans	-77.2	7	163.6	-69.9	-173.8	-178.5	173.6	0	114.8
10	R	44.8	Very low	53.4	Low	185 Å²	185	103.3 Å²	103.3	70%	0.698	54%	0.542	S	S	*	.	S	Bend	trans	-94.3	124.1	174.6	-76.3	-179	-85	-173.8	-9.7	107.9	D8 L12	D8-R10 PolarHBondContact O-N 3Å; R10-L12 PolarHBondContact O-N 3.29Å
11	P	38.5	Very low	55.3	Low	96 Å²	96	99.1 Å²	99.1	62%	0.623	52%	0.522	S	S	*	.			trans	-52.4	133.1	-176.3	17.8	-29.1	0	0	0	110	A13 R65	P11-A13 PolarHBondContact O-N 3.01Å; P11-A13 VanDerWaalsContact O-N 3.09Å; P11-R65 VanDerWaalsContact O-CZ 3.29Å; P11-R65 PolarHBondContact O-NH1 2.67Å; P11-R65 PolarHBondContact O-NH2 2.89Å
12	L	42.3	Very low	58	Low	151 Å²	151	91.3 Å²	91.3	79%	0.791	49%	0.485	S	S	*	.			trans	-38.4	119	174.2	-74	164	0	0	0	108.4	R10 L14 R65	R10-L12 PolarHBondContact O-N 3.29Å; L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.23Å; L12-R65 PolarHBondContact O-NH2 3.12Å
13	A	40	Very low	60.8	Low	57 Å²	57	88.5 Å²	88.5	47%	0.471	47%	0.466	S	S	.	.			trans	-71.1	83.2	-169.1	0	0	0	0	0	112.2	P11 T15 R65	P11-A13 PolarHBondContact O-N 3.01Å; P11-A13 VanDerWaalsContact O-N 3.09Å; A13-T15 VanDerWaalsContact C-N 3.29Å; A13-T15 PolarHBondContact O-N 2.94Å; A13-R65 VanDerWaalsContact CA-NH1 3.3Å; A13-R65 VanDerWaalsContact CB-CZ 3.49Å
14	L	46.5	Very low	63.7	Low	133 Å²	133	84.7 Å²	84.7	70%	0.696	46%	0.462	S	S	*	.			trans	-65.3	99.8	150.5	-76.6	161.7	0	0	0	106.4	L12 S64	L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.23Å; L14-S64 PolarHBondContact O-OG 3.34Å
15	T	70.6	Confident	66.4	Low	42 Å²	42	83.4 Å²	83.4	26%	0.258	45%	0.447	S	S	.	.			trans	-84.6	102.7	167.4	35.2	0	0	0	0	107.2	A13 R65	A13-T15 VanDerWaalsContact C-N 3.29Å; A13-T15 PolarHBondContact O-N 2.94Å; T15-R65 CarbonylContact C-O 3.36Å; T15-R65 WeakPolarHBondContact CA-O 3.42Å; T15-R65 HydrophobicContact CG2-CB 3.66Å
16	D	81.3	Confident	69.2	Low	42 Å²	42	78.8 Å²	78.8	23%	0.225	42%	0.423	C	S	.	.			trans	-143.9	157.7	178.3	-147	4.1	0	0	0	113.6	F30 S64 R65 R105	D16-F30 HydrophobicContact CB-CE1 4.12Å; D16-F30 HydrophobicContact CB-CZ 3.89Å; D16-F30 WeakPolarHBondContact O-CE1 3.03Å; D16-S64 PolarHBondContact N-OG 2.82Å; D16-S64 VanDerWaalsContact N-OG 3.14Å; D16-S64 PolarHBondContact O-N 2.82Å; D16-S64 PolarHBondContact O-OG 3.39Å; D16-R65 PolarHBondContact N-O 3.01Å; D16-R105 IonicContact OD1-CZ 2.67Å; D16-R105 IonicContact OD1-NE 3.18Å; D16-R105 PolarHBondContact OD1-NE 3.14Å; D16-R105 IonicContact OD1-NH2 2.84Å; D16-R105 PolarHBondContact OD1-NH2 2.77Å; D16-R105 IonicContact OD2-NH2 2.86Å
17	I	90.5	Very high	71.8	Confident	2 Å²	2	74 Å²	74	1%	0.01	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.2	174	178.5	178.1	0	0	0	107.4	I61 C62 I63 P67 I85 I101 V103 I118	I17-I61 HydrophobicContact CD1-CD1 4.49Å; I17-I61 HydrophobicContact CD1-CG1 4.41Å; I17-I61 HydrophobicContact CD1-CG2 3.62Å; I17-I61 HydrophobicContact CG1-CG2 3.78Å; I17-C62 CarbonylContact C-O 3.57Å; I17-C62 VanDerWaalsContact CA-O 3.31Å; I17-C62 WeakPolarHBondContact CA-O 3.43Å; I17-I63 HydrophobicContact CB-CG1 4.45Å; I17-I63 HydrophobicContact CD1-CG1 4.48Å; I17-I63 HydrophobicContact CG1-CG1 4.15Å; I17-P67 HydrophobicContact CB-CG 3.95Å; I17-P67 HydrophobicContact CG2-CG 3.52Å; I17-I85 HydrophobicContact CB-CD1 4.44Å; I17-I85 HydrophobicContact CD1-CD1 4.43Å; I17-I85 HydrophobicContact CG1-CD1 4.15Å; I17-I85 HydrophobicContact CG2-CD1 3.7Å; I17-I101 HydrophobicContact CD1-CG2 4.41Å; I17-V103 HydrophobicContact CG2-CB 4.28Å; I17-V103 HydrophobicContact CG2-CG1 3.17Å; I17-I118 HydrophobicContact CD1-CD1 3.98Å
18	I	93.6	Very high	74.1	Confident	12 Å²	12	74.7 Å²	74.7	6%	0.062	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	165.1	176.2	63.4	176.2	0	0	0	109.1	V20 P27 F30 I61 C62 Y89	I18-V20 HydrophobicContact CD1-CG1 4.08Å; I18-V20 HydrophobicContact CG1-CG1 4.49Å; I18-P27 HydrophobicContact CD1-CG 3.94Å; I18-F30 HydrophobicContact CB-CE1 4.29Å; I18-F30 HydrophobicContact CD1-CD1 3.93Å; I18-F30 HydrophobicContact CD1-CD2 4.11Å; I18-F30 HydrophobicContact CD1-CE1 4.06Å; I18-F30 HydrophobicContact CD1-CE2 4.19Å; I18-F30 HydrophobicContact CD1-CG 3.95Å; I18-F30 HydrophobicContact CD1-CZ 4.18Å; I18-F30 HydrophobicContact CG1-CD1 3.76Å; I18-F30 HydrophobicContact CG1-CE1 3.77Å; I18-F30 HydrophobicContact CG1-CG 4.3Å; I18-F30 HydrophobicContact CG1-CZ 4.28Å; I18-F30 HydrophobicContact CG2-CE1 3.82Å; I18-F30 HydrophobicContact CG2-CZ 3.78Å; I18-I61 CarbonylContact O-C 3.28Å; I18-I61 WeakPolarHBondContact O-CA 3.36Å; I18-C62 HydrophobicContact CD1-CB 4.18Å; I18-C62 HydrophobicContact CG1-CB 3.67Å; I18-C62 PolarHBondContact N-O 3.08Å; I18-C62 PolarHBondContact O-N 2.88Å; I18-Y89 HydrophobicContact CD1-CD1 4.25Å; I18-Y89 HydrophobicContact CD1-CD2 4.34Å; I18-Y89 HydrophobicContact CD1-CG 3.95Å; I18-Y89 HydrophobicContact CG2-CD2 4.12Å
19	I	95.3	Very high	76.2	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.6	168.6	-62.7	171.7	0	0	0	107.1	R59 Y60 I61 I85 T88 Y89 A95 L96 I101	I19-R59 HydrophobicContact CG2-CB 3.87Å; I19-R59 HydrophobicContact CG2-CG 4.35Å; I19-Y60 CarbonylContact C-O 3.59Å; I19-Y60 WeakPolarHBondContact CA-O 3.41Å; I19-I61 HydrophobicContact CG1-CG1 4.15Å; I19-I85 HydrophobicContact CB-CG2 4.49Å; I19-I85 HydrophobicContact CD1-CB 4.49Å; I19-I85 HydrophobicContact CD1-CG2 4.11Å; I19-I85 HydrophobicContact CG1-CG2 4.2Å; I19-T88 HydrophobicContact CG2-CG2 4.31Å; I19-T88 CarbonylContact O-C 3.5Å; I19-T88 VanDerWaalsContact O-CA 3.23Å; I19-T88 WeakPolarHBondContact O-CA 3.4Å; I19-Y89 PolarHBondContact O-N 2.93Å; I19-A95 HydrophobicContact CB-CB 4.31Å; I19-A95 HydrophobicContact CD1-CB 3.83Å; I19-A95 HydrophobicContact CG2-CB 4.4Å; I19-L96 HydrophobicContact CD1-CD1 4.4Å; I19-L96 HydrophobicContact CD1-CG 4.18Å; I19-I101 HydrophobicContact CD1-CD1 4.21Å
20	V	95.3	Very high	78.5	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149	174.1	-60.2	0	0	0	0	110.4	I18 V26 R59 Y60 D90	I18-V20 HydrophobicContact CD1-CG1 4.08Å; I18-V20 HydrophobicContact CG1-CG1 4.49Å; V20-V26 HydrophobicContact CG1-CG2 4.48Å; V20-V26 HydrophobicContact CG2-CG2 3.89Å; V20-R59 WeakPolarHBondContact O-CA 2.96Å; V20-Y60 PolarHBondContact N-O 2.86Å; V20-Y60 PolarHBondContact O-N 2.86Å; V20-D90 WeakPolarHBondContact CA-OD1 3.39Å
21	A	93.5	Very high	80.7	Confident	16 Å²	16	63.9 Å²	63.9	13%	0.132	37%	0.365	C	S	.	.	S	Bend	trans	-81.4	-36	171.8	0	0	0	0	0	112.2	C58 R59 T88 D90 T91	A21-C58 VanDerWaalsContact CA-O 3.23Å; A21-C58 WeakPolarHBondContact CA-O 3.26Å; A21-R59 VanDerWaalsContact CB-NH1 3.32Å; A21-T88 HydrophobicContact CB-CG2 4.26Å; A21-D90 PolarHBondContact N-OD1 2.92Å; A21-D90 PolarHBondContact N-OD2 2.81Å; A21-T91 HydrophobicContact CB-CG2 3.83Å; A21-T91 WeakPolarHBondContact CB-OG1 3.23Å
22	D	90.6	Very high	83.3	Confident	73 Å²	73	61.5 Å²	61.5	39%	0.39	35%	0.35	S	S	.	.			trans	-118.6	125	177.9	-171.2	-12.4	0	0	0	111.1	A24 N25 D90	D22-A24 PolarHBondContact O-N 3.37Å; D22-A24 WeakPolarHBondContact OD1-CB 3.4Å; D22-A24 PolarHBondContact OD1-N 3.26Å; D22-N25 HydrophobicContact CB-CB 4.41Å; D22-N25 PolarHBondContact O-N 2.84Å; D22-D90 PolarHBondContact N-OD2 2.82Å
23	K	91.1	Very high	85.7	Confident	119 Å²	119	55.6 Å²	55.6	52%	0.517	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63.3	-18.2	176.4	66.7	-173.9	176.5	-171.1	0	113.5	N25 V26 L34 Y60	K23-N25 VanDerWaalsContact C-N 3.31Å; K23-V26 VanDerWaalsContact O-CG2 3.28Å; K23-V26 WeakPolarHBondContact O-CG2 3.36Å; K23-L34 HydrophobicContact CB-CD2 3.93Å; K23-L34 HydrophobicContact CD-CD1 4.37Å; K23-L34 HydrophobicContact CD-CD2 4.38Å; K23-Y60 HydrophobicContact CB-CD2 4.26Å; K23-Y60 HydrophobicContact CB-CE2 4.41Å
24	A	91.3	Very high	88.3	Confident	80 Å²	80	55.3 Å²	55.3	66%	0.661	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-74.8	-21.6	172.3	0	0	0	0	0	112.8	D22 V26	D22-A24 PolarHBondContact O-N 3.37Å; D22-A24 WeakPolarHBondContact OD1-CB 3.4Å; D22-A24 PolarHBondContact OD1-N 3.26Å; A24-V26 VanDerWaalsContact C-N 3.34Å
25	N	94.1	Very high	90.7	Very high	85 Å²	85	53.4 Å²	53.4	46%	0.455	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-94.4	15.3	-178	-66.8	-27.7	0	0	0	113.3	D22 K23 P27 D90	D22-N25 HydrophobicContact CB-CB 4.41Å; D22-N25 PolarHBondContact O-N 2.84Å; K23-N25 VanDerWaalsContact C-N 3.31Å; N25-P27 WeakPolarHBondContact O-CD 3.41Å; N25-D90 HydrophobicContact CB-CB 3.69Å; N25-D90 PolarHBondContact ND2-OD2 2.83Å
26	V	92.8	Very high	91.9	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.17	28%	0.284	C	S	.	.			trans	-69	124	178.2	-178.2	0	0	0	0	109.3	V20 K23 A24 F30 P32 C62	V20-V26 HydrophobicContact CG1-CG2 4.48Å; V20-V26 HydrophobicContact CG2-CG2 3.89Å; K23-V26 VanDerWaalsContact O-CG2 3.28Å; K23-V26 WeakPolarHBondContact O-CG2 3.36Å; A24-V26 VanDerWaalsContact C-N 3.34Å; V26-F30 HydrophobicContact CG1-CB 3.88Å; V26-P32 HydrophobicContact CG2-CB 3.98Å; V26-P32 HydrophobicContact CG2-CG 4.12Å; V26-C62 HydrophobicContact CG1-CB 4.18Å
27	P	91.8	Very high	92.5	Very high	21 Å²	21	52.4 Å²	52.4	14%	0.136	30%	0.297	C	S	.	.			trans	-60.3	144.6	175.6	-20.4	31.9	0	0	0	111.1	I18 N25 H29 F30 Y89	I18-P27 HydrophobicContact CD1-CG 3.94Å; N25-P27 WeakPolarHBondContact O-CD 3.41Å; P27-H29 PolarHBondContact O-N 2.95Å; P27-F30 HydrophobicContact CB-CD2 4Å; P27-F30 HydrophobicContact CG-CD2 4.2Å; P27-F30 PolarHBondContact O-N 3.09Å; P27-Y89 HydrophobicContact CG-CD1 3.95Å; P27-Y89 HydrophobicContact CG-CE1 3.51Å
28	S	87.6	Confident	92.7	Very high	123 Å²	123	54.5 Å²	54.5	86%	0.86	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-18.7	-170.1	56.7	0	0	0	0	116.4
29	H	87	Confident	92.8	Very high	106 Å²	106	54.7 Å²	54.7	49%	0.491	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.7	-179.2	58.1	-79.7	0	0	0	113.4	P27 S64	P27-H29 PolarHBondContact O-N 2.95Å; H29-S64 WeakPolarHBondContact O-CA 3.47Å; H29-S64 VanDerWaalsContact O-CB 3.26Å; H29-S64 WeakPolarHBondContact O-CB 3.06Å
30	F	90.6	Very high	92.6	Very high	14 Å²	14	59.5 Å²	59.5	6%	0.061	34%	0.341	C	S	.	.			trans	-112.9	149.8	173.2	-77.9	-99.3	0	0	0	110.3	D16 I18 V26 P27 C62 S64	D16-F30 HydrophobicContact CB-CE1 4.12Å; D16-F30 HydrophobicContact CB-CZ 3.89Å; D16-F30 WeakPolarHBondContact O-CE1 3.03Å; I18-F30 HydrophobicContact CB-CE1 4.29Å; I18-F30 HydrophobicContact CD1-CD1 3.93Å; I18-F30 HydrophobicContact CD1-CD2 4.11Å; I18-F30 HydrophobicContact CD1-CE1 4.06Å; I18-F30 HydrophobicContact CD1-CE2 4.19Å; I18-F30 HydrophobicContact CD1-CG 3.95Å; I18-F30 HydrophobicContact CD1-CZ 4.18Å; I18-F30 HydrophobicContact CG1-CD1 3.76Å; I18-F30 HydrophobicContact CG1-CE1 3.77Å; I18-F30 HydrophobicContact CG1-CG 4.3Å; I18-F30 HydrophobicContact CG1-CZ 4.28Å; I18-F30 HydrophobicContact CG2-CE1 3.82Å; I18-F30 HydrophobicContact CG2-CZ 3.78Å; V26-F30 HydrophobicContact CG1-CB 3.88Å; P27-F30 HydrophobicContact CB-CD2 4Å; P27-F30 HydrophobicContact CG-CD2 4.2Å; P27-F30 PolarHBondContact O-N 3.09Å; F30-C62 HydrophobicContact CB-CB 3.9Å; F30-C62 HydrophobicContact CD1-CB 4.1Å; F30-C62 WeakPolarHBondContact CD1-O 2.8Å; F30-C62 HydrophobicContact CG-CB 4.39Å; F30-S64 WeakPolarHBondContact CE1-OG 3.23Å
31	H	90.3	Very high	92.5	Very high	141 Å²	141	64.1 Å²	64.1	65%	0.653	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.4	173.2	-61.4	-63.8	0	0	0	109.7	C62 I63	H31-C62 VanDerWaalsContact O-CA 3.27Å; H31-C62 WeakPolarHBondContact O-CA 3.27Å; H31-I63 PolarHBondContact N-O 2.82Å; H31-I63 PolarHBondContact O-N 3.39Å
32	P	92.9	Very high	92.5	Very high	46 Å²	46	66.9 Å²	66.9	30%	0.299	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.9	179.1	32.5	-32.3	0	0	0	111.1	V26 L34 I61	V26-P32 HydrophobicContact CG2-CB 3.98Å; V26-P32 HydrophobicContact CG2-CG 4.12Å; P32-L34 HydrophobicContact CB-CD2 3.76Å; P32-L34 HydrophobicContact CB-CG 3.89Å; P32-L34 HydrophobicContact CG-CD1 4.06Å; P32-L34 HydrophobicContact CG-CD2 4.2Å; P32-L34 HydrophobicContact CG-CG 3.93Å; P32-L34 PolarHBondContact O-N 2.81Å; P32-I61 CarbonylContact C-O 3.59Å; P32-I61 WeakPolarHBondContact CA-O 3.31Å
33	I	94.2	Very high	92.5	Very high	27 Å²	27	65.8 Å²	65.8	14%	0.138	37%	0.374	C	S	.	.			trans	-87.1	98.8	166.4	-56.6	176.7	0	0	0	107	V44 I61 I63 I118 I120	I33-V44 HydrophobicContact CG2-CG2 4.07Å; I33-V44 WeakPolarHBondContact O-CG2 3.46Å; I33-I61 HydrophobicContact CD1-CG2 4.05Å; I33-I61 PolarHBondContact N-O 2.86Å; I33-I63 HydrophobicContact CD1-CD1 3.52Å; I33-I63 HydrophobicContact CG1-CD1 4.12Å; I33-I118 HydrophobicContact CD1-CB 4.08Å; I33-I118 HydrophobicContact CD1-CG2 3.86Å; I33-I118 VanDerWaalsContact CD1-O 3.24Å; I33-I118 WeakPolarHBondContact CD1-O 3.21Å; I33-I120 HydrophobicContact CB-CD1 4.45Å; I33-I120 HydrophobicContact CG2-CD1 3.99Å; I33-I120 HydrophobicContact CG2-CG1 4.16Å
34	L	94.5	Very high	92.6	Very high	51 Å²	51	60.1 Å²	60.1	27%	0.267	35%	0.35	S	S	.	.			trans	-99.5	-25.9	-175.4	-61.4	180	0	0	0	113.7	K23 P32 V44 Y60	K23-L34 HydrophobicContact CB-CD2 3.93Å; K23-L34 HydrophobicContact CD-CD1 4.37Å; K23-L34 HydrophobicContact CD-CD2 4.38Å; P32-L34 HydrophobicContact CB-CD2 3.76Å; P32-L34 HydrophobicContact CB-CG 3.89Å; P32-L34 HydrophobicContact CG-CD1 4.06Å; P32-L34 HydrophobicContact CG-CD2 4.2Å; P32-L34 HydrophobicContact CG-CG 3.93Å; P32-L34 PolarHBondContact O-N 2.81Å; L34-V44 VanDerWaalsContact O-CG2 3.28Å; L34-V44 WeakPolarHBondContact O-CG2 3.49Å; L34-V44 PolarHBondContact O-N 2.98Å; L34-Y60 HydrophobicContact CD2-CD1 3.61Å; L34-Y60 HydrophobicContact CD2-CD2 4.24Å; L34-Y60 HydrophobicContact CD2-CE1 4.01Å; L34-Y60 HydrophobicContact CD2-CG 3.73Å
35	K	95.4	Very high	92.6	Very high	92 Å²	92	56.6 Å²	56.6	40%	0.4	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-124.2	148.6	-176.3	-58.9	-58.8	177.4	-165.2	0	112	P40 Y42 D43	K35-P40 VanDerWaalsContact CD-O 3.31Å; K35-P40 WeakPolarHBondContact CD-O 3.29Å; K35-P40 WeakPolarHBondContact CG-O 3.47Å; K35-Y42 WeakPolarHBondContact CA-O 3.33Å; K35-Y42 VanDerWaalsContact CD-O 3.32Å; K35-Y42 WeakPolarHBondContact CD-O 3.03Å; K35-D43 IonicContact NZ-OD1 2.86Å; K35-D43 PolarHBondContact NZ-OD1 2.91Å
36	A	95.6	Very high	92.5	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	30%	0.299	C	S	.	.			trans	-67.1	141.1	175.8	0	0	0	0	0	110.4	D38 D39 Y42 V44 I120 A122	A36-D38 VanDerWaalsContact C-N 3.3Å; A36-D38 WeakPolarHBondContact CB-OD1 3.4Å; A36-D38 PolarHBondContact O-N 3.42Å; A36-D39 CarbonylContact O-C 3.57Å; A36-D39 VanDerWaalsContact O-C 3.28Å; A36-D39 PolarHBondContact O-N 2.91Å; A36-Y42 HydrophobicContact CB-CD1 4.41Å; A36-Y42 HydrophobicContact CB-CG 4.5Å; A36-Y42 PolarHBondContact N-O 3.14Å; A36-Y42 VanDerWaalsContact N-O 3.14Å; A36-V44 HydrophobicContact CB-CG1 3.74Å; A36-I120 CarbonylContact C-O 3.54Å; A36-I120 VanDerWaalsContact CA-O 3.3Å; A36-I120 WeakPolarHBondContact CA-O 3.49Å; A36-A122 HydrophobicContact CB-CB 3.68Å
37	A	94.8	Very high	92.3	Very high	60 Å²	60	53.1 Å²	53.1	50%	0.496	30%	0.297	S	S	.	.	S	Bend	trans	-69.3	-26.9	-177.8	0	0	0	0	0	113	I120 F121	A37-I120 PolarHBondContact N-O 3.06Å; A37-F121 HydrophobicContact CB-CD1 3.95Å; A37-F121 HydrophobicContact CB-CE1 3.57Å; A37-F121 HydrophobicContact CB-CZ 3.94Å
38	D	94.9	Very high	91.6	Very high	46 Å²	46	56.1 Å²	56.1	25%	0.246	31%	0.309	C	S	.	.	S	Bend	trans	-92.6	-12.3	175.2	55.3	-17.2	0	0	0	114.1	A36 F121 A122 R123 Q124	A36-D38 VanDerWaalsContact C-N 3.3Å; A36-D38 WeakPolarHBondContact CB-OD1 3.4Å; A36-D38 PolarHBondContact O-N 3.42Å; D38-F121 HydrophobicContact CB-CD1 3.83Å; D38-F121 WeakPolarHBondContact OD1-CA 3.42Å; D38-A122 PolarHBondContact OD1-N 2.83Å; D38-A122 PolarHBondContact OD2-N 2.79Å; D38-R123 WeakPolarHBondContact OD2-CA 3.46Å; D38-R123 WeakPolarHBondContact OD2-CB 3.39Å; D38-R123 PolarHBondContact OD2-N 3.28Å; D38-Q124 HydrophobicContact CB-CG 4.3Å; D38-Q124 WeakPolarHBondContact OD2-CG 3.48Å; D38-Q124 PolarHBondContact OD2-N 3.47Å; D38-Q124 VanDerWaalsContact OD2-N 3.14Å
39	D	94.4	Very high	90.7	Very high	17 Å²	17	52.7 Å²	52.7	9%	0.091	28%	0.279	C	S	.	.			trans	-150.8	95.3	-179.5	-174.1	-8.8	0	0	0	110.8	A36 S41 Y42 R123	A36-D39 CarbonylContact O-C 3.57Å; A36-D39 VanDerWaalsContact O-C 3.28Å; A36-D39 PolarHBondContact O-N 2.91Å; D39-S41 PolarHBondContact O-N 2.97Å; D39-S41 WeakPolarHBondContact OD1-CB 3.17Å; D39-S41 PolarHBondContact OD1-N 2.86Å; D39-S41 PolarHBondContact OD1-OG 2.91Å; D39-S41 PolarHBondContact OD2-OG 2.95Å; D39-Y42 WeakPolarHBondContact O-CB 2.69Å; D39-Y42 PolarHBondContact O-N 3.17Å; D39-R123 IonicContact OD2-CZ 3.38Å; D39-R123 IonicContact OD2-NE 3.16Å; D39-R123 PolarHBondContact OD2-NE 2.8Å; D39-R123 IonicContact OD2-NH2 2.76Å; D39-R123 PolarHBondContact OD2-NH2 3.37Å
40	P	92	Very high	89.4	Confident	102 Å²	102	49.8 Å²	49.8	66%	0.662	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.6	-179.9	-24.9	35	0	0	0	114.6	K35 Y42	K35-P40 VanDerWaalsContact CD-O 3.31Å; K35-P40 WeakPolarHBondContact CD-O 3.29Å; K35-P40 WeakPolarHBondContact CG-O 3.47Å; P40-Y42 VanDerWaalsContact C-N 3.34Å
41	S	92.4	Very high	87.9	Confident	97 Å²	97	59 Å²	59	68%	0.678	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-21.8	175.1	75	0	0	0	0	112.6	D39	D39-S41 PolarHBondContact O-N 2.97Å; D39-S41 WeakPolarHBondContact OD1-CB 3.17Å; D39-S41 PolarHBondContact OD1-N 2.86Å; D39-S41 PolarHBondContact OD1-OG 2.91Å; D39-S41 PolarHBondContact OD2-OG 2.95Å
42	Y	93.4	Very high	86.4	Confident	74 Å²	74	61.9 Å²	61.9	29%	0.29	33%	0.329	S	S	.	.	S	Bend	trans	-81.3	122.6	-176.3	-161.2	-76.9	0	0	0	111.3	K35 A36 D39 P40 V44 A122 L140	K35-Y42 WeakPolarHBondContact CA-O 3.33Å; K35-Y42 VanDerWaalsContact CD-O 3.32Å; K35-Y42 WeakPolarHBondContact CD-O 3.03Å; A36-Y42 HydrophobicContact CB-CD1 4.41Å; A36-Y42 HydrophobicContact CB-CG 4.5Å; A36-Y42 PolarHBondContact N-O 3.14Å; A36-Y42 VanDerWaalsContact N-O 3.14Å; D39-Y42 WeakPolarHBondContact O-CB 2.69Å; D39-Y42 PolarHBondContact O-N 3.17Å; P40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-V44 HydrophobicContact CD1-CG1 4.26Å; Y42-A122 HydrophobicContact CD1-CB 3.6Å; Y42-A122 HydrophobicContact CD2-CB 3.8Å; Y42-A122 HydrophobicContact CE1-CB 3.93Å; Y42-A122 HydrophobicContact CE2-CB 4.07Å; Y42-A122 HydrophobicContact CG-CB 3.55Å; Y42-L140 HydrophobicContact CD1-CD2 4.29Å; Y42-L140 HydrophobicContact CE1-CD2 3.66Å
43	D	91.8	Very high	84.6	Confident	50 Å²	50	62.7 Å²	62.7	27%	0.267	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-78.3	121	172.9	-158.5	76.7	0	0	0	110.7	K35 D45 Y60	K35-D43 IonicContact NZ-OD1 2.86Å; K35-D43 PolarHBondContact NZ-OD1 2.91Å; D43-D45 PolarHBondContact O-N 3.19Å; D43-D45 VanDerWaalsContact O-N 3.15Å; D43-Y60 WeakPolarHBondContact OD2-CE1 3.28Å; D43-Y60 PolarHBondContact OD2-OH 2.8Å
44	V	92.7	Very high	82.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.371	C	S	.	.			trans	-91.8	58	179.5	-75.8	0	0	0	0	111.3	I33 L34 A36 Y42 L46 I120 L140	I33-V44 HydrophobicContact CG2-CG2 4.07Å; I33-V44 WeakPolarHBondContact O-CG2 3.46Å; L34-V44 VanDerWaalsContact O-CG2 3.28Å; L34-V44 WeakPolarHBondContact O-CG2 3.49Å; L34-V44 PolarHBondContact O-N 2.98Å; A36-V44 HydrophobicContact CB-CG1 3.74Å; Y42-V44 HydrophobicContact CD1-CG1 4.26Å; V44-L46 PolarHBondContact O-N 3.02Å; V44-I120 HydrophobicContact CB-CB 4.37Å; V44-I120 HydrophobicContact CB-CD1 4.21Å; V44-I120 HydrophobicContact CB-CG2 4.07Å; V44-I120 HydrophobicContact CG1-CB 3.97Å; V44-I120 HydrophobicContact CG1-CG2 3.53Å; V44-I120 HydrophobicContact CG2-CD1 4.3Å; V44-L140 HydrophobicContact CB-CD1 4.22Å; V44-L140 HydrophobicContact CG1-CD1 4.14Å; V44-L140 HydrophobicContact CG1-CD2 4.19Å
45	D	92.1	Very high	81.5	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.027	40%	0.395	C	S	.	.			trans	-68.8	117	161.3	173.5	20.6	0	0	0	109.5	D43 W47 R56 C58 R59 Y60	D43-D45 PolarHBondContact O-N 3.19Å; D43-D45 VanDerWaalsContact O-N 3.15Å; D45-W47 PolarHBondContact O-N 2.95Å; D45-W47 PolarHBondContact OD1-N 2.76Å; D45-R56 IonicContact OD2-CZ 2.69Å; D45-R56 IonicContact OD2-NE 2.95Å; D45-R56 PolarHBondContact OD2-NE 2.73Å; D45-R56 IonicContact OD2-NH2 3.21Å; D45-R56 PolarHBondContact OD2-NH2 3.13Å; D45-C58 VanDerWaalsContact OD1-CA 3.24Å; D45-C58 WeakPolarHBondContact OD1-CA 3.21Å; D45-R59 PolarHBondContact OD1-N 2.97Å; D45-Y60 HydrophobicContact CB-CE1 4.22Å
46	L	92.3	Very high	80.2	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.026	40%	0.402	C	S	.	.	S	Bend	trans	-83.1	3.5	-178	-58.5	171.2	0	0	0	113.2	V44 R59 I61 L96 I120 I137 L140	V44-L46 PolarHBondContact O-N 3.02Å; L46-R59 HydrophobicContact CB-CB 4.15Å; L46-R59 PolarHBondContact N-O 3.19Å; L46-I61 HydrophobicContact CD1-CB 4.42Å; L46-I61 HydrophobicContact CD1-CD1 3.54Å; L46-I61 HydrophobicContact CD1-CG1 3.52Å; L46-L96 HydrophobicContact CB-CD2 3.73Å; L46-I120 HydrophobicContact CD1-CD1 4.28Å; L46-I120 HydrophobicContact CD2-CD1 3.93Å; L46-I120 HydrophobicContact CG-CD1 4.45Å; L46-I137 HydrophobicContact CB-CG2 4.3Å; L46-I137 HydrophobicContact CD1-CD1 4.46Å; L46-I137 HydrophobicContact CD2-CB 4.36Å; L46-I137 HydrophobicContact CD2-CD1 4.17Å; L46-I137 HydrophobicContact CD2-CG2 4.35Å; L46-L140 HydrophobicContact CD2-CB 4.47Å; L46-L140 HydrophobicContact CD2-CD1 3.76Å
47	W	88.2	Confident	79.1	Confident	35 Å²	35	78.1 Å²	78.1	13%	0.133	41%	0.411	C	S	.	.			trans	-115.9	83.9	175.8	-166	-80.3	0	0	0	110.8	D45 E49 P57 R59 K94 R97	D45-W47 PolarHBondContact O-N 2.95Å; D45-W47 PolarHBondContact OD1-N 2.76Å; W47-E49 PolarHBondContact O-N 3Å; W47-P57 WeakPolarHBondContact CB-O 3.45Å; W47-P57 HydrophobicContact CG-CB 4.34Å; W47-R59 HydrophobicContact CB-CB 4.02Å; W47-R59 HydrophobicContact CB-CG 3.55Å; W47-R59 HydrophobicContact CD2-CG 4.17Å; W47-R59 HydrophobicContact CE3-CG 3.75Å; W47-R59 HydrophobicContact CG-CG 4.16Å; W47-K94 HydrophobicContact CH2-CB 4.2Å; W47-K94 HydrophobicContact CZ3-CB 4.35Å; W47-K94 WeakPolarHBondContact CZ3-O 3.3Å; W47-R97 HydrophobicContact CD2-CG 3.84Å; W47-R97 HydrophobicContact CE3-CG 3.86Å; W47-R97 HydrophobicContact CH2-CG 3.52Å; W47-R97 HydrophobicContact CZ2-CG 3.46Å; W47-R97 VanDerWaalsContact CZ2-CG 3.46Å; W47-R97 HydrophobicContact CZ3-CG 3.72Å
48	K	77.2	Confident	78.6	Confident	85 Å²	85	76.7 Å²	76.7	37%	0.37	40%	0.397	S	S	.	.			trans	-70.6	115.8	170.2	-91.8	-176	-174.3	154.5	0	110.3	R97 D138	K48-R97 PolarHBondContact O-NH1 3.37Å; K48-D138 HydrophobicContact CB-CB 4.28Å; K48-D138 HydrophobicContact CD-CB 4.19Å; K48-D138 PolarHBondContact NZ-O 2.94Å
49	E	67.9	Low	78.3	Confident	51 Å²	51	74.6 Å²	74.6	24%	0.238	39%	0.386	C	S	.	.			trans	-75.2	154.8	167.6	-74.4	-155.8	131	0	0	112.7	W47 S53 R56 P57	W47-E49 PolarHBondContact O-N 3Å; E49-S53 WeakPolarHBondContact OE1-CB 3.16Å; E49-S53 PolarHBondContact OE1-OG 3.31Å; E49-S53 VanDerWaalsContact OE2-CB 3.28Å; E49-S53 WeakPolarHBondContact OE2-CB 3.2Å; E49-R56 HydrophobicContact CG-CG 4Å; E49-R56 VanDerWaalsContact OE2-CA 3.22Å; E49-R56 WeakPolarHBondContact OE2-CA 3.24Å; E49-R56 WeakPolarHBondContact OE2-CB 3.08Å; E49-P57 WeakPolarHBondContact OE1-CD 3.13Å
50	G	60	Low	78.1	Confident	44 Å²	44	74.4 Å²	74.4	45%	0.454	38%	0.384	S	S	.	.			trans	-81.7	160.3	161.4	0	0	0	0	0	110.1	F52	G50-F52 PolarHBondContact O-N 3.44Å
51	F	59.1	Low	77.9	Confident	209 Å²	209	69.6 Å²	69.6	92%	0.917	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	4.6	-170.7	-62.3	-84.8	0	0	0	118.3
52	F	57.9	Low	77.3	Confident	201 Å²	201	65 Å²	65	88%	0.882	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	11.1	-168.2	-67.3	-72.9	0	0	0	115.8	G50	G50-F52 PolarHBondContact O-N 3.44Å
53	S	56.3	Low	76.5	Confident	62 Å²	62	62.2 Å²	62.2	43%	0.434	31%	0.31	S	S	.	.			trans	-106.4	127.7	-179.2	-170.8	0	0	0	0	111	E49 L55	E49-S53 WeakPolarHBondContact OE1-CB 3.16Å; E49-S53 PolarHBondContact OE1-OG 3.31Å; E49-S53 VanDerWaalsContact OE2-CB 3.28Å; E49-S53 WeakPolarHBondContact OE2-CB 3.2Å; S53-L55 PolarHBondContact OG-O 3.32Å
54	I	58.7	Low	75.2	Confident	172 Å²	172	60.8 Å²	60.8	88%	0.882	30%	0.304	S	S	*	.	S	Bend	trans	-84.6	-24.9	-173.5	-63.6	167.1	0	0	0	111.1
55	L	64.7	Low	73.9	Confident	149 Å²	149	64.3 Å²	64.3	78%	0.78	32%	0.317	S	S	*	.	S	Bend	trans	-115.3	108.9	174.5	-74.6	166	0	0	0	107.2	S53 P57	S53-L55 PolarHBondContact OG-O 3.32Å; L55-P57 VanDerWaalsContact O-CD 3.23Å; L55-P57 WeakPolarHBondContact O-CD 3.49Å
56	R	68.4	Low	72.7	Confident	143 Å²	143	69.2 Å²	69.2	54%	0.54	34%	0.336	S	S	.	.			trans	-85.9	109.3	-177.6	-177.5	-177.6	172.9	-175.9	0.1	110.8	D45 E49 C58	D45-R56 IonicContact OD2-CZ 2.69Å; D45-R56 IonicContact OD2-NE 2.95Å; D45-R56 PolarHBondContact OD2-NE 2.73Å; D45-R56 IonicContact OD2-NH2 3.21Å; D45-R56 PolarHBondContact OD2-NH2 3.13Å; E49-R56 HydrophobicContact CG-CG 4Å; E49-R56 VanDerWaalsContact OE2-CA 3.22Å; E49-R56 WeakPolarHBondContact OE2-CA 3.24Å; E49-R56 WeakPolarHBondContact OE2-CB 3.08Å; R56-C58 PolarHBondContact O-N 3.32Å
57	P	72.9	Confident	71.8	Confident	33 Å²	33	69.1 Å²	69.1	21%	0.214	34%	0.335	C	S	.	.			trans	-66.7	124.2	166.9	-8.9	25.6	0	0	0	107.4	W47 E49 L55	W47-P57 WeakPolarHBondContact CB-O 3.45Å; W47-P57 HydrophobicContact CG-CB 4.34Å; E49-P57 WeakPolarHBondContact OE1-CD 3.13Å; L55-P57 VanDerWaalsContact O-CD 3.23Å; L55-P57 WeakPolarHBondContact O-CD 3.49Å
58	C	83.8	Confident	71.4	Confident	30 Å²	30	69.6 Å²	69.6	20%	0.203	34%	0.341	C	S	.	.			trans	-94.5	158.7	167.3	-64.6	0	0	0	0	109.5	A21 D45 R56 Y60	A21-C58 VanDerWaalsContact CA-O 3.23Å; A21-C58 WeakPolarHBondContact CA-O 3.26Å; D45-C58 VanDerWaalsContact OD1-CA 3.24Å; D45-C58 WeakPolarHBondContact OD1-CA 3.21Å; R56-C58 PolarHBondContact O-N 3.32Å; C58-Y60 HydrophobicContact CB-CD2 4.35Å; C58-Y60 HydrophobicContact CB-CE2 3.58Å
59	R	89.1	Confident	71.8	Confident	3 Å²	3	65.7 Å²	65.7	1%	0.011	32%	0.324	C	S	.	.			trans	-140.8	119.9	173	-63.8	-68.8	-177.3	-97.6	6.1	111.1	I19 V20 A21 D45 L46 W47 E93 K94 A95	I19-R59 HydrophobicContact CG2-CB 3.87Å; I19-R59 HydrophobicContact CG2-CG 4.35Å; V20-R59 WeakPolarHBondContact O-CA 2.96Å; A21-R59 VanDerWaalsContact CB-NH1 3.32Å; D45-R59 PolarHBondContact OD1-N 2.97Å; L46-R59 HydrophobicContact CB-CB 4.15Å; L46-R59 PolarHBondContact N-O 3.19Å; W47-R59 HydrophobicContact CB-CB 4.02Å; W47-R59 HydrophobicContact CB-CG 3.55Å; W47-R59 HydrophobicContact CD2-CG 4.17Å; W47-R59 HydrophobicContact CE3-CG 3.75Å; W47-R59 HydrophobicContact CG-CG 4.16Å; R59-E93 IonicContact CZ-OE2 2.68Å; R59-E93 IonicContact NH1-OE2 3.04Å; R59-E93 PolarHBondContact NH1-OE2 2.92Å; R59-E93 VanDerWaalsContact NH1-OE2 3.16Å; R59-E93 IonicContact NH2-OE2 3.2Å; R59-E93 PolarHBondContact NH2-OE2 3.46Å; R59-K94 PolarHBondContact NE-O 2.87Å; R59-K94 PolarHBondContact NH2-O 2.91Å; R59-A95 VanDerWaalsContact CD-O 3.23Å; R59-A95 WeakPolarHBondContact CD-O 3.4Å; R59-A95 WeakPolarHBondContact CG-O 3.1Å; R59-A95 PolarHBondContact NE-O 2.67Å
60	Y	89	Confident	72.7	Confident	13 Å²	13	64.6 Å²	64.6	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.2	179.5	-58.7	-73.6	0	0	0	111.1	I19 V20 K23 L34 D43 D45 C58	I19-Y60 CarbonylContact C-O 3.59Å; I19-Y60 WeakPolarHBondContact CA-O 3.41Å; V20-Y60 PolarHBondContact N-O 2.86Å; V20-Y60 PolarHBondContact O-N 2.86Å; K23-Y60 HydrophobicContact CB-CD2 4.26Å; K23-Y60 HydrophobicContact CB-CE2 4.41Å; L34-Y60 HydrophobicContact CD2-CD1 3.61Å; L34-Y60 HydrophobicContact CD2-CD2 4.24Å; L34-Y60 HydrophobicContact CD2-CE1 4.01Å; L34-Y60 HydrophobicContact CD2-CG 3.73Å; D43-Y60 WeakPolarHBondContact OD2-CE1 3.28Å; D43-Y60 PolarHBondContact OD2-OH 2.8Å; D45-Y60 HydrophobicContact CB-CE1 4.22Å; C58-Y60 HydrophobicContact CB-CD2 4.35Å; C58-Y60 HydrophobicContact CB-CE2 3.58Å
61	I	87.5	Confident	74.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.9	169.6	-76.2	167.2	0	0	0	108.8	I17 I18 I19 P32 I33 L46 I63 I101 I120 L142	I17-I61 HydrophobicContact CD1-CD1 4.49Å; I17-I61 HydrophobicContact CD1-CG1 4.41Å; I17-I61 HydrophobicContact CD1-CG2 3.62Å; I17-I61 HydrophobicContact CG1-CG2 3.78Å; I18-I61 CarbonylContact O-C 3.28Å; I18-I61 WeakPolarHBondContact O-CA 3.36Å; I19-I61 HydrophobicContact CG1-CG1 4.15Å; P32-I61 CarbonylContact C-O 3.59Å; P32-I61 WeakPolarHBondContact CA-O 3.31Å; I33-I61 HydrophobicContact CD1-CG2 4.05Å; I33-I61 PolarHBondContact N-O 2.86Å; L46-I61 HydrophobicContact CD1-CB 4.42Å; L46-I61 HydrophobicContact CD1-CD1 3.54Å; L46-I61 HydrophobicContact CD1-CG1 3.52Å; I61-I63 HydrophobicContact CG2-CD1 4.03Å; I61-I63 HydrophobicContact CG2-CG1 3.86Å; I61-I101 HydrophobicContact CD1-CD1 3.43Å; I61-I101 VanDerWaalsContact CD1-CD1 3.43Å; I61-I101 HydrophobicContact CG1-CD1 3.97Å; I61-I120 HydrophobicContact CD1-CD1 4.16Å; I61-L142 HydrophobicContact CD1-CD1 3.93Å
62	C	80.9	Confident	75.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.7	170.5	-45.2	0	0	0	0	109.8	I17 I18 V26 F30 H31	I17-C62 CarbonylContact C-O 3.57Å; I17-C62 VanDerWaalsContact CA-O 3.31Å; I17-C62 WeakPolarHBondContact CA-O 3.43Å; I18-C62 HydrophobicContact CD1-CB 4.18Å; I18-C62 HydrophobicContact CG1-CB 3.67Å; I18-C62 PolarHBondContact N-O 3.08Å; I18-C62 PolarHBondContact O-N 2.88Å; V26-C62 HydrophobicContact CG1-CB 4.18Å; F30-C62 HydrophobicContact CB-CB 3.9Å; F30-C62 HydrophobicContact CD1-CB 4.1Å; F30-C62 WeakPolarHBondContact CD1-O 2.8Å; F30-C62 HydrophobicContact CG-CB 4.39Å; H31-C62 VanDerWaalsContact O-CA 3.27Å; H31-C62 WeakPolarHBondContact O-CA 3.27Å
63	I	77.2	Confident	77.3	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.7	-174.1	-56.6	152.2	0	0	0	109.6	I17 H31 I33 I61 W66 I118	I17-I63 HydrophobicContact CB-CG1 4.45Å; I17-I63 HydrophobicContact CD1-CG1 4.48Å; I17-I63 HydrophobicContact CG1-CG1 4.15Å; H31-I63 PolarHBondContact N-O 2.82Å; H31-I63 PolarHBondContact O-N 3.39Å; I33-I63 HydrophobicContact CD1-CD1 3.52Å; I33-I63 HydrophobicContact CG1-CD1 4.12Å; I61-I63 HydrophobicContact CG2-CD1 4.03Å; I61-I63 HydrophobicContact CG2-CG1 3.86Å; I63-W66 HydrophobicContact CG2-CE3 4.47Å; I63-I118 HydrophobicContact CD1-CB 3.53Å; I63-I118 HydrophobicContact CD1-CD1 3.62Å; I63-I118 HydrophobicContact CD1-CG1 3.93Å; I63-I118 HydrophobicContact CD1-CG2 4.17Å; I63-I118 HydrophobicContact CG1-CD1 4Å
64	S	63.7	Low	78.9	Confident	21 Å²	21	47.5 Å²	47.5	15%	0.147	23%	0.233	C	C	.	.	S	Bend	trans	-99.8	-31.5	173.6	60	0	0	0	0	111.8	L14 D16 H29 F30	L14-S64 PolarHBondContact O-OG 3.34Å; D16-S64 PolarHBondContact N-OG 2.82Å; D16-S64 VanDerWaalsContact N-OG 3.14Å; D16-S64 PolarHBondContact O-N 2.82Å; D16-S64 PolarHBondContact O-OG 3.39Å; H29-S64 WeakPolarHBondContact O-CA 3.47Å; H29-S64 VanDerWaalsContact O-CB 3.26Å; H29-S64 WeakPolarHBondContact O-CB 3.06Å; F30-S64 WeakPolarHBondContact CE1-OG 3.23Å
65	R	64.4	Low	80.4	Confident	73 Å²	73	48.6 Å²	48.6	28%	0.275	23%	0.231	S	C	.	.	S	Bend	trans	-176.1	167.5	171.4	-107.9	177	-71.6	-166.2	-0.6	109.5	P11 L12 A13 T15 D16 P67	P11-R65 VanDerWaalsContact O-CZ 3.29Å; P11-R65 PolarHBondContact O-NH1 2.67Å; P11-R65 PolarHBondContact O-NH2 2.89Å; L12-R65 PolarHBondContact O-NH2 3.12Å; A13-R65 VanDerWaalsContact CA-NH1 3.3Å; A13-R65 VanDerWaalsContact CB-CZ 3.49Å; T15-R65 CarbonylContact C-O 3.36Å; T15-R65 WeakPolarHBondContact CA-O 3.42Å; T15-R65 HydrophobicContact CG2-CB 3.66Å; D16-R65 PolarHBondContact N-O 3.01Å; R65-P67 WeakPolarHBondContact O-CD 3.38Å
66	W	67.4	Low	81.7	Confident	109 Å²	109	45.3 Å²	45.3	41%	0.413	21%	0.214	S	C	.	.			trans	-79	104.3	-155.4	-32	110.3	0	0	0	118.1	I63 V115 C116 E117	I63-W66 HydrophobicContact CG2-CE3 4.47Å; W66-V115 HydrophobicContact CB-CB 3.88Å; W66-V115 HydrophobicContact CB-CG1 4.21Å; W66-V115 WeakPolarHBondContact CB-O 3.32Å; W66-V115 HydrophobicContact CE3-CG1 4.45Å; W66-C116 VanDerWaalsContact CD2-C 3.42Å; W66-C116 VanDerWaalsContact CE3-CA 3.49Å; W66-C116 WeakPolarHBondContact CH2-O 3.49Å; W66-C116 WeakPolarHBondContact CZ2-O 3.47Å; W66-C116 WeakPolarHBondContact CZ3-O 3.31Å; W66-E117 VanDerWaalsContact CE3-N 3.34Å; W66-E117 VanDerWaalsContact CZ3-CA 3.5Å; W66-E117 VanDerWaalsContact CZ3-N 3.31Å
67	P	73.1	Confident	83	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.019	23%	0.229	C	C	.	.			trans	-89.1	159.1	169.4	29	-14	0	0	0	110.6	I17 R65 I69 V103 V115	I17-P67 HydrophobicContact CB-CG 3.95Å; I17-P67 HydrophobicContact CG2-CG 3.52Å; R65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-I69 HydrophobicContact CG-CG2 4.07Å; P67-V103 HydrophobicContact CG-CG1 4.46Å; P67-V115 WeakPolarHBondContact O-CB 3.41Å; P67-V115 WeakPolarHBondContact O-CG2 3.42Å
68	D	79.9	Confident	84	Confident	45 Å²	45	48.1 Å²	48.1	24%	0.241	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.1	164.2	-172.6	1.5	0	0	0	108.7	Y82 V103 K104 Y146	D68-Y82 VanDerWaalsContact CG-OH 3.27Å; D68-Y82 PolarHBondContact OD1-OH 2.88Å; D68-Y82 PolarHBondContact OD2-OH 2.84Å; D68-V103 CarbonylContact O-C 3.53Å; D68-V103 VanDerWaalsContact O-CA 3.32Å; D68-V103 WeakPolarHBondContact O-CA 3.5Å; D68-K104 HydrophobicContact CB-CB 4.16Å; D68-K104 PolarHBondContact N-O 3.14Å; D68-K104 PolarHBondContact O-N 2.86Å; D68-Y146 VanDerWaalsContact CG-OH 3.3Å; D68-Y146 PolarHBondContact OD1-OH 3.31Å
69	I	85.8	Confident	84.4	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.7	-170.1	71.1	175.1	0	0	0	112.1	P67 C102 V103 I118 A134 L142 F144	P67-I69 HydrophobicContact CG-CG2 4.07Å; I69-C102 WeakPolarHBondContact CA-O 3.24Å; I69-V103 HydrophobicContact CG2-CG1 4Å; I69-I118 HydrophobicContact CD1-CD1 3.76Å; I69-I118 HydrophobicContact CD1-CG1 3.92Å; I69-I118 HydrophobicContact CD1-CG2 4.14Å; I69-I118 HydrophobicContact CG2-CD1 4.18Å; I69-A134 HydrophobicContact CD1-CB 4.41Å; I69-A134 HydrophobicContact CG1-CB 4.4Å; I69-L142 HydrophobicContact CD1-CD2 4.42Å; I69-L142 HydrophobicContact CD1-CG 4.49Å; I69-F144 HydrophobicContact CD1-CB 4.2Å; I69-F144 HydrophobicContact CD1-CD1 3.86Å; I69-F144 HydrophobicContact CD1-CG 4.29Å; I69-F144 HydrophobicContact CG1-CD1 3.62Å; I69-F144 HydrophobicContact CG1-CE1 4Å; I69-F144 HydrophobicContact CG1-CG 4.12Å
70	C	87.2	Confident	84.5	Confident	28 Å²	28	53.1 Å²	53.1	19%	0.189	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.9	166.1	70	0	0	0	0	110.8	Y82 C102	C70-Y82 HydrophobicContact CB-CE1 4.22Å; C70-C102 PolarHBondContact N-O 3.39Å; C70-C102 PolarHBondContact O-N 2.86Å
71	L	88.3	Confident	84.5	Confident	22 Å²	22	58.9 Å²	58.9	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.7	177.1	-167.4	79.6	0	0	0	109.7	L96 K99 Q100 I101 A134 D136 I137 L142	L71-L96 HydrophobicContact CD1-CD1 4.44Å; L71-K99 HydrophobicContact CD1-CB 3.92Å; L71-K99 HydrophobicContact CD2-CB 4.28Å; L71-K99 HydrophobicContact CD2-CD 4.04Å; L71-K99 HydrophobicContact CD2-CG 4.05Å; L71-K99 HydrophobicContact CG-CB 4.11Å; L71-K99 HydrophobicContact CG-CD 4.26Å; L71-K99 HydrophobicContact CG-CG 4.35Å; L71-Q100 WeakPolarHBondContact CA-O 3.38Å; L71-I101 HydrophobicContact CD1-CB 4.49Å; L71-I101 HydrophobicContact CD1-CG1 3.51Å; L71-A134 WeakPolarHBondContact CB-O 3.39Å; L71-A134 PolarHBondContact N-O 3.41Å; L71-D136 VanDerWaalsContact CD2-O 3.28Å; L71-D136 WeakPolarHBondContact CD2-O 3.45Å; L71-I137 HydrophobicContact CD1-CD1 3.77Å; L71-I137 HydrophobicContact CD1-CG1 3.86Å; L71-I137 HydrophobicContact CD2-CD1 4.29Å; L71-I137 HydrophobicContact CD2-CG1 3.54Å; L71-I137 HydrophobicContact CG-CG1 4.37Å; L71-L142 HydrophobicContact CD1-CD2 4.49Å
72	I	92.4	Very high	84.7	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.108	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	165.4	176.9	66.3	171.5	0	0	0	110.8	D76 V78 P79 K99 Q100 C102	I72-D76 HydrophobicContact CB-CB 4.28Å; I72-D76 HydrophobicContact CD1-CB 4.49Å; I72-V78 HydrophobicContact CD1-CG2 4.02Å; I72-P79 HydrophobicContact CG2-CG 4.42Å; I72-K99 CarbonylContact O-C 3.55Å; I72-K99 WeakPolarHBondContact O-CA 3.34Å; I72-K99 WeakPolarHBondContact O-CD 3.37Å; I72-Q100 HydrophobicContact CD1-CB 4.45Å; I72-Q100 HydrophobicContact CG1-CB 3.94Å; I72-Q100 PolarHBondContact N-O 2.59Å; I72-Q100 PolarHBondContact O-N 3.48Å; I72-C102 WeakPolarHBondContact CD1-SG 3.3Å
73	N	92.5	Very high	85.3	Confident	72 Å²	72	66.9 Å²	66.9	39%	0.385	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	151.7	166.4	-53.5	-63	0	0	0	110	K75 D76 K99	N73-K75 PolarHBondContact O-N 3.27Å; N73-D76 HydrophobicContact CB-CB 4.45Å; N73-D76 WeakPolarHBondContact CB-OD2 3.33Å; N73-D76 PolarHBondContact N-OD2 2.81Å; N73-D76 VanDerWaalsContact N-OD2 3.14Å; N73-D76 PolarHBondContact ND2-OD2 2.74Å; N73-D76 WeakPolarHBondContact O-CB 3.37Å; N73-D76 PolarHBondContact O-N 3.45Å; N73-K99 PolarHBondContact OD1-NZ 3.04Å
74	D	89.1	Confident	86.1	Confident	42 Å²	42	67.9 Å²	67.9	23%	0.225	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.2	-174.1	-177.6	66	0	0	0	115.2	K94 R98 Q100	D74-K94 WeakPolarHBondContact OD1-CE 3.41Å; D74-K94 IonicContact OD1-NZ 2.91Å; D74-K94 PolarHBondContact OD1-NZ 3.04Å; D74-K94 IonicContact OD2-NZ 2.67Å; D74-K94 PolarHBondContact OD2-NZ 3.14Å; D74-R98 PolarHBondContact N-O 2.83Å; D74-Q100 PolarHBondContact O-NE2 2.99Å; D74-Q100 PolarHBondContact OD1-NE2 3.07Å
75	K	91	Very high	87.6	Confident	195 Å²	195	67.7 Å²	67.7	85%	0.848	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-2.9	178.4	-61	-173.8	179.5	-176.4	0	113.5	N73	N73-K75 PolarHBondContact O-N 3.27Å
76	D	92.9	Very high	89	Confident	79 Å²	79	68.4 Å²	68.4	42%	0.422	35%	0.345	S	S	.	.	S	Bend	trans	-74.5	155.2	179.7	-66.7	-14.7	0	0	0	109.8	I72 N73 V78	I72-D76 HydrophobicContact CB-CB 4.28Å; I72-D76 HydrophobicContact CD1-CB 4.49Å; N73-D76 HydrophobicContact CB-CB 4.45Å; N73-D76 WeakPolarHBondContact CB-OD2 3.33Å; N73-D76 PolarHBondContact N-OD2 2.81Å; N73-D76 VanDerWaalsContact N-OD2 3.14Å; N73-D76 PolarHBondContact ND2-OD2 2.74Å; N73-D76 WeakPolarHBondContact O-CB 3.37Å; N73-D76 PolarHBondContact O-N 3.45Å; D76-V78 PolarHBondContact O-N 3.12Å
77	K	93.8	Very high	90.4	Very high	192 Å²	192	69.7 Å²	69.7	84%	0.835	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-68.9	130.2	175.4	-174.4	179.8	176.8	-178.7	0	109.8
78	V	94.8	Very high	91.4	Very high	44 Å²	44	69.6 Å²	69.6	27%	0.267	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-60.8	129.7	172	-177.6	0	0	0	0	109.8	I72 D76 Y82 P84	I72-V78 HydrophobicContact CD1-CG2 4.02Å; D76-V78 PolarHBondContact O-N 3.12Å; V78-Y82 VanDerWaalsContact CG1-O 3.3Å; V78-Y82 WeakPolarHBondContact CG1-O 3.19Å; V78-P84 HydrophobicContact CG2-CB 4.17Å; V78-P84 HydrophobicContact CG2-CG 3.99Å
79	P	93.2	Very high	92.2	Very high	52 Å²	52	73 Å²	73	34%	0.338	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-57.7	151.8	175.3	-25.4	35	0	0	0	112.7	I72 Y82	I72-P79 HydrophobicContact CG2-CG 4.42Å; P79-Y82 HydrophobicContact CB-CD2 3.93Å; P79-Y82 HydrophobicContact CB-CG 4.32Å; P79-Y82 PolarHBondContact O-N 2.97Å
80	A	90.2	Very high	92.6	Very high	85 Å²	85	74.7 Å²	74.7	70%	0.702	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	141.8	176	0	0	0	0	0	111	Y82	A80-Y82 WeakPolarHBondContact O-CD2 3.39Å; A80-Y82 PolarHBondContact O-N 3.2Å
81	E	89.3	Confident	93	Very high	135 Å²	135	76.2 Å²	76.2	63%	0.631	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	1.3	-176	-46.9	174.2	88	0	0	116	K104	E81-K104 HydrophobicContact CB-CD 4.05Å; E81-K104 HydrophobicContact CB-CG 4.43Å; E81-K104 WeakPolarHBondContact O-CG 3.44Å; E81-K104 WeakPolarHBondContact OE1-CE 3.38Å; E81-K104 IonicContact OE1-NZ 2.66Å; E81-K104 PolarHBondContact OE1-NZ 3.23Å; E81-K104 VanDerWaalsContact OE1-NZ 3.08Å; E81-K104 IonicContact OE2-NZ 3.32Å; E81-K104 PolarHBondContact OE2-NZ 2.86Å
82	Y	92.2	Very high	93.3	Very high	48 Å²	48	83.5 Å²	83.5	19%	0.188	40%	0.403	C	S	.	.			trans	-102.9	151.5	173.3	-75.4	-106.8	0	0	0	110.8	D68 C70 V78 P79 A80 C102 V103 K104	D68-Y82 VanDerWaalsContact CG-OH 3.27Å; D68-Y82 PolarHBondContact OD1-OH 2.88Å; D68-Y82 PolarHBondContact OD2-OH 2.84Å; C70-Y82 HydrophobicContact CB-CE1 4.22Å; V78-Y82 VanDerWaalsContact CG1-O 3.3Å; V78-Y82 WeakPolarHBondContact CG1-O 3.19Å; P79-Y82 HydrophobicContact CB-CD2 3.93Å; P79-Y82 HydrophobicContact CB-CG 4.32Å; P79-Y82 PolarHBondContact O-N 2.97Å; A80-Y82 WeakPolarHBondContact O-CD2 3.39Å; A80-Y82 PolarHBondContact O-N 3.2Å; Y82-C102 HydrophobicContact CD1-CB 4.05Å; Y82-C102 HydrophobicContact CG-CB 4.47Å; Y82-V103 CarbonylContact C-O 3.57Å; Y82-V103 WeakPolarHBondContact CA-O 3.38Å; Y82-K104 HydrophobicContact CD1-CB 3.73Å; Y82-K104 HydrophobicContact CD2-CB 3.88Å; Y82-K104 HydrophobicContact CD2-CD 4.21Å; Y82-K104 HydrophobicContact CE1-CB 3.61Å; Y82-K104 HydrophobicContact CE2-CB 3.75Å; Y82-K104 HydrophobicContact CE2-CD 3.71Å; Y82-K104 HydrophobicContact CE2-CG 4.34Å; Y82-K104 HydrophobicContact CG-CB 3.87Å
83	E	92.8	Very high	93.4	Very high	119 Å²	119	86.8 Å²	86.8	56%	0.556	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.2	173.5	-65.5	172.8	172.8	0	0	109.3	C102 V103 R105	E83-C102 CarbonylContact O-C 3.54Å; E83-C102 VanDerWaalsContact O-CA 3.3Å; E83-C102 WeakPolarHBondContact O-CA 3.32Å; E83-V103 PolarHBondContact N-O 2.66Å; E83-V103 VanDerWaalsContact O-CG2 3.23Å; E83-V103 WeakPolarHBondContact O-CG2 3.45Å; E83-V103 PolarHBondContact O-N 2.92Å; E83-R105 IonicContact OE2-NH1 3Å; E83-R105 PolarHBondContact OE2-NH1 3.27Å
84	P	94.4	Very high	93.4	Very high	37 Å²	37	86.9 Å²	86.9	24%	0.24	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	145.2	177.9	33.4	-34.9	0	0	0	112.1	V78 E86	V78-P84 HydrophobicContact CG2-CB 4.17Å; V78-P84 HydrophobicContact CG2-CG 3.99Å; P84-E86 HydrophobicContact CB-CG 3.87Å; P84-E86 HydrophobicContact CG-CG 3.77Å; P84-E86 VanDerWaalsContact CG-OE1 3.31Å; P84-E86 WeakPolarHBondContact CG-OE1 3.23Å; P84-E86 PolarHBondContact O-N 2.81Å
85	I	94.4	Very high	93.7	Very high	18 Å²	18	84.9 Å²	84.9	9%	0.092	40%	0.404	C	S	.	.			trans	-89.5	87.5	164.6	-49.2	172.5	0	0	0	107.5	I17 I19 A95 I101 V103	I17-I85 HydrophobicContact CB-CD1 4.44Å; I17-I85 HydrophobicContact CD1-CD1 4.43Å; I17-I85 HydrophobicContact CG1-CD1 4.15Å; I17-I85 HydrophobicContact CG2-CD1 3.7Å; I19-I85 HydrophobicContact CB-CG2 4.49Å; I19-I85 HydrophobicContact CD1-CB 4.49Å; I19-I85 HydrophobicContact CD1-CG2 4.11Å; I19-I85 HydrophobicContact CG1-CG2 4.2Å; I85-A95 WeakPolarHBondContact O-CB 3.31Å; I85-I101 HydrophobicContact CD1-CB 4.19Å; I85-I101 HydrophobicContact CD1-CG2 3.82Å; I85-I101 PolarHBondContact N-O 2.96Å; I85-V103 HydrophobicContact CD1-CG1 4.07Å; I85-V103 HydrophobicContact CG1-CG1 4.35Å; I85-V103 HydrophobicContact CG1-CG2 4.28Å
86	E	94.4	Very high	93.8	Very high	87 Å²	87	75.8 Å²	75.8	41%	0.407	37%	0.365	S	S	.	.			trans	-81.9	-30.9	-174.8	-66.4	178.8	-129.2	0	0	113.1	P84 A95	P84-E86 HydrophobicContact CB-CG 3.87Å; P84-E86 HydrophobicContact CG-CG 3.77Å; P84-E86 VanDerWaalsContact CG-OE1 3.31Å; P84-E86 WeakPolarHBondContact CG-OE1 3.23Å; P84-E86 PolarHBondContact O-N 2.81Å; E86-A95 WeakPolarHBondContact O-CB 3.28Å; E86-A95 PolarHBondContact O-N 2.83Å
87	W	95.8	Very high	93.6	Very high	137 Å²	137	77.1 Å²	77.1	52%	0.519	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-124.4	145.8	-169.3	-51.6	103.8	0	0	0	111.4	E93 K94	W87-E93 CarbonylContact C-O 3.5Å; W87-E93 VanDerWaalsContact CA-O 3.28Å; W87-E93 WeakPolarHBondContact CA-O 3.33Å; W87-K94 HydrophobicContact CZ3-CB 4.27Å
88	T	96.2	Very high	93.5	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	35%	0.353	C	S	.	.			trans	-62.7	142.9	166.6	56.5	0	0	0	0	109.9	I19 A21 D90 T91 R92 E93	I19-T88 HydrophobicContact CG2-CG2 4.31Å; I19-T88 CarbonylContact O-C 3.5Å; I19-T88 VanDerWaalsContact O-CA 3.23Å; I19-T88 WeakPolarHBondContact O-CA 3.4Å; A21-T88 HydrophobicContact CB-CG2 4.26Å; T88-D90 WeakPolarHBondContact CB-OD1 3.23Å; T88-T91 PolarHBondContact OG1-OG1 3.21Å; T88-R92 WeakPolarHBondContact O-CA 3.47Å; T88-R92 PolarHBondContact O-N 2.72Å; T88-R92 PolarHBondContact OG1-N 2.84Å; T88-R92 VanDerWaalsContact OG1-N 3.12Å; T88-E93 PolarHBondContact N-O 3.39Å; T88-E93 PolarHBondContact OG1-N 2.91Å; T88-E93 PolarHBondContact OG1-O 3.37Å
89	Y	95.4	Very high	93.5	Very high	116 Å²	116	76.3 Å²	76.3	46%	0.455	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-41.9	-178.4	177.8	-90.6	0	0	0	111.9	I18 I19 P27	I18-Y89 HydrophobicContact CD1-CD1 4.25Å; I18-Y89 HydrophobicContact CD1-CD2 4.34Å; I18-Y89 HydrophobicContact CD1-CG 3.95Å; I18-Y89 HydrophobicContact CG2-CD2 4.12Å; I19-Y89 PolarHBondContact O-N 2.93Å; P27-Y89 HydrophobicContact CG-CD1 3.95Å; P27-Y89 HydrophobicContact CG-CE1 3.51Å
90	D	94.9	Very high	93.5	Very high	39 Å²	39	75 Å²	75	21%	0.209	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-49.8	-172.5	58.8	-29.5	0	0	0	113	V20 A21 D22 N25 T88	V20-D90 WeakPolarHBondContact CA-OD1 3.39Å; A21-D90 PolarHBondContact N-OD1 2.92Å; A21-D90 PolarHBondContact N-OD2 2.81Å; D22-D90 PolarHBondContact N-OD2 2.82Å; N25-D90 HydrophobicContact CB-CB 3.69Å; N25-D90 PolarHBondContact ND2-OD2 2.83Å; T88-D90 WeakPolarHBondContact CB-OD1 3.23Å
91	T	94.6	Very high	93.8	Very high	60 Å²	60	70.9 Å²	70.9	37%	0.368	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-9.6	-173	59.4	0	0	0	0	114.6	A21 T88 E93	A21-T91 HydrophobicContact CB-CG2 3.83Å; A21-T91 WeakPolarHBondContact CB-OG1 3.23Å; T88-T91 PolarHBondContact OG1-OG1 3.21Å; T91-E93 PolarHBondContact O-N 2.84Å; T91-E93 WeakPolarHBondContact OG1-CG 3.37Å; T91-E93 PolarHBondContact OG1-OE2 3.27Å
92	R	95.1	Very high	94	Very high	176 Å²	176	64.5 Å²	64.5	66%	0.664	28%	0.278	S	S	*	.			trans	56.3	24.9	-173.7	-55.8	-61.9	-173.1	166.5	0	113.8	T88	T88-R92 WeakPolarHBondContact O-CA 3.47Å; T88-R92 PolarHBondContact O-N 2.72Å; T88-R92 PolarHBondContact OG1-N 2.84Å; T88-R92 VanDerWaalsContact OG1-N 3.12Å
93	E	93.9	Very high	94	Very high	89 Å²	89	62.2 Å²	62.2	42%	0.416	27%	0.269	S	S	.	.			trans	-84.6	164.2	171.4	-65.6	177.9	160	0	0	110.4	R59 W87 T88 T91 A95	R59-E93 IonicContact CZ-OE2 2.68Å; R59-E93 IonicContact NH1-OE2 3.04Å; R59-E93 PolarHBondContact NH1-OE2 2.92Å; R59-E93 VanDerWaalsContact NH1-OE2 3.16Å; R59-E93 IonicContact NH2-OE2 3.2Å; R59-E93 PolarHBondContact NH2-OE2 3.46Å; W87-E93 CarbonylContact C-O 3.5Å; W87-E93 VanDerWaalsContact CA-O 3.28Å; W87-E93 WeakPolarHBondContact CA-O 3.33Å; T88-E93 PolarHBondContact N-O 3.39Å; T88-E93 PolarHBondContact OG1-N 2.91Å; T88-E93 PolarHBondContact OG1-O 3.37Å; T91-E93 PolarHBondContact O-N 2.84Å; T91-E93 WeakPolarHBondContact OG1-CG 3.37Å; T91-E93 PolarHBondContact OG1-OE2 3.27Å; E93-A95 PolarHBondContact O-N 2.89Å
94	K	93.5	Very high	93.8	Very high	74 Å²	74	58.2 Å²	58.2	32%	0.322	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-56.2	131.7	176.5	-166.1	178.7	-171.7	-177.4	0	110.3	W47 R59 D74 W87 L96 R97	W47-K94 HydrophobicContact CH2-CB 4.2Å; W47-K94 HydrophobicContact CZ3-CB 4.35Å; W47-K94 WeakPolarHBondContact CZ3-O 3.3Å; R59-K94 PolarHBondContact NE-O 2.87Å; R59-K94 PolarHBondContact NH2-O 2.91Å; D74-K94 WeakPolarHBondContact OD1-CE 3.41Å; D74-K94 IonicContact OD1-NZ 2.91Å; D74-K94 PolarHBondContact OD1-NZ 3.04Å; D74-K94 IonicContact OD2-NZ 2.67Å; D74-K94 PolarHBondContact OD2-NZ 3.14Å; W87-K94 HydrophobicContact CZ3-CB 4.27Å; K94-L96 VanDerWaalsContact CD-O 3.32Å; K94-L96 WeakPolarHBondContact CD-O 3.43Å; K94-L96 WeakPolarHBondContact CE-O 3.32Å; K94-L96 WeakPolarHBondContact CG-O 3.3Å; K94-R97 PolarHBondContact NZ-O 3.37Å
95	A	94.4	Very high	93.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.008	26%	0.255	C	S	.	.	S	Bend	trans	-73	-40.4	-173.4	0	0	0	0	0	112.8	I19 R59 I85 E86 E93	I19-A95 HydrophobicContact CB-CB 4.31Å; I19-A95 HydrophobicContact CD1-CB 3.83Å; I19-A95 HydrophobicContact CG2-CB 4.4Å; R59-A95 VanDerWaalsContact CD-O 3.23Å; R59-A95 WeakPolarHBondContact CD-O 3.4Å; R59-A95 WeakPolarHBondContact CG-O 3.1Å; R59-A95 PolarHBondContact NE-O 2.67Å; I85-A95 WeakPolarHBondContact O-CB 3.31Å; E86-A95 WeakPolarHBondContact O-CB 3.28Å; E86-A95 PolarHBondContact O-N 2.83Å; E93-A95 PolarHBondContact O-N 2.89Å
96	L	93.7	Very high	92.7	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	27%	0.267	C	S	.	.			trans	-143.2	153.3	179.9	-67.2	178.3	0	0	0	110.5	I19 L46 L71 K94 K99 I101 I137	I19-L96 HydrophobicContact CD1-CD1 4.4Å; I19-L96 HydrophobicContact CD1-CG 4.18Å; L46-L96 HydrophobicContact CB-CD2 3.73Å; L71-L96 HydrophobicContact CD1-CD1 4.44Å; K94-L96 VanDerWaalsContact CD-O 3.32Å; K94-L96 WeakPolarHBondContact CD-O 3.43Å; K94-L96 WeakPolarHBondContact CE-O 3.32Å; K94-L96 WeakPolarHBondContact CG-O 3.3Å; L96-K99 WeakPolarHBondContact CB-O 3.34Å; L96-K99 HydrophobicContact CD1-CB 4.29Å; L96-I101 HydrophobicContact CD1-CD1 4.27Å; L96-I101 HydrophobicContact CD1-CG1 3.92Å; L96-I137 HydrophobicContact CD1-CD1 4.08Å; L96-I137 HydrophobicContact CD2-CG2 4.25Å
97	R	89.8	Confident	92.1	Very high	106 Å²	106	64 Å²	64	40%	0.4	27%	0.274	S	S	.	.	S	Bend	trans	-78	-54.7	-174.8	-72.3	176.6	64.2	179.7	2.5	113.7	W47 K48 K94	W47-R97 HydrophobicContact CD2-CG 3.84Å; W47-R97 HydrophobicContact CE3-CG 3.86Å; W47-R97 HydrophobicContact CH2-CG 3.52Å; W47-R97 HydrophobicContact CZ2-CG 3.46Å; W47-R97 VanDerWaalsContact CZ2-CG 3.46Å; W47-R97 HydrophobicContact CZ3-CG 3.72Å; K48-R97 PolarHBondContact O-NH1 3.37Å; K94-R97 PolarHBondContact NZ-O 3.37Å
98	R	90.3	Very high	91.2	Very high	164 Å²	164	65.1 Å²	65.1	62%	0.619	28%	0.278	S	S	*	.	S	Bend	trans	-114.5	-9.9	-167.4	-64	177.6	176.7	178.2	-1.5	113.6	D74	D74-R98 PolarHBondContact N-O 2.83Å
99	K	94.7	Very high	90.3	Very high	56 Å²	56	72.4 Å²	72.4	24%	0.243	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.9	-174	-62.8	-64.9	-169.2	176.4	0	109.2	L71 I72 N73 L96 D136	L71-K99 HydrophobicContact CD1-CB 3.92Å; L71-K99 HydrophobicContact CD2-CB 4.28Å; L71-K99 HydrophobicContact CD2-CD 4.04Å; L71-K99 HydrophobicContact CD2-CG 4.05Å; L71-K99 HydrophobicContact CG-CB 4.11Å; L71-K99 HydrophobicContact CG-CD 4.26Å; L71-K99 HydrophobicContact CG-CG 4.35Å; I72-K99 CarbonylContact O-C 3.55Å; I72-K99 WeakPolarHBondContact O-CA 3.34Å; I72-K99 WeakPolarHBondContact O-CD 3.37Å; N73-K99 PolarHBondContact OD1-NZ 3.04Å; L96-K99 WeakPolarHBondContact CB-O 3.34Å; L96-K99 HydrophobicContact CD1-CB 4.29Å; K99-D136 WeakPolarHBondContact CE-O 3.23Å
100	Q	94.7	Very high	89.7	Confident	23 Å²	23	72.6 Å²	72.6	11%	0.107	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.5	166.4	-71.1	176.2	-3.2	0	0	108.2	L71 I72 D74	L71-Q100 WeakPolarHBondContact CA-O 3.38Å; I72-Q100 HydrophobicContact CD1-CB 4.45Å; I72-Q100 HydrophobicContact CG1-CB 3.94Å; I72-Q100 PolarHBondContact N-O 2.59Å; I72-Q100 PolarHBondContact O-N 3.48Å; D74-Q100 PolarHBondContact O-NE2 2.99Å; D74-Q100 PolarHBondContact OD1-NE2 3.07Å
101	I	94.6	Very high	89	Confident	0 Å²	0	72 Å²	72	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.5	165.9	-67.5	178.3	0	0	0	106.3	I17 I19 I61 L71 I85 L96 V103 I137 L142	I17-I101 HydrophobicContact CD1-CG2 4.41Å; I19-I101 HydrophobicContact CD1-CD1 4.21Å; I61-I101 HydrophobicContact CD1-CD1 3.43Å; I61-I101 VanDerWaalsContact CD1-CD1 3.43Å; I61-I101 HydrophobicContact CG1-CD1 3.97Å; L71-I101 HydrophobicContact CD1-CB 4.49Å; L71-I101 HydrophobicContact CD1-CG1 3.51Å; I85-I101 HydrophobicContact CD1-CB 4.19Å; I85-I101 HydrophobicContact CD1-CG2 3.82Å; I85-I101 PolarHBondContact N-O 2.96Å; L96-I101 HydrophobicContact CD1-CD1 4.27Å; L96-I101 HydrophobicContact CD1-CG1 3.92Å; I101-V103 HydrophobicContact CG2-CG1 4.22Å; I101-I137 HydrophobicContact CD1-CD1 4.25Å; I101-I137 HydrophobicContact CG1-CD1 4.48Å; I101-L142 HydrophobicContact CD1-CD2 3.85Å; I101-L142 HydrophobicContact CG1-CD2 4.15Å
102	C	94	Very high	88.5	Confident	0 Å²	0	74 Å²	74	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.5	175.1	-61.5	0	0	0	0	109.2	I69 C70 I72 Y82 E83	I69-C102 WeakPolarHBondContact CA-O 3.24Å; C70-C102 PolarHBondContact N-O 3.39Å; C70-C102 PolarHBondContact O-N 2.86Å; I72-C102 WeakPolarHBondContact CD1-SG 3.3Å; Y82-C102 HydrophobicContact CD1-CB 4.05Å; Y82-C102 HydrophobicContact CG-CB 4.47Å; E83-C102 CarbonylContact O-C 3.54Å; E83-C102 VanDerWaalsContact O-CA 3.3Å; E83-C102 WeakPolarHBondContact O-CA 3.32Å
103	V	91.8	Very high	87.9	Confident	1 Å²	1	69 Å²	69	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.9	-172	-71.4	0	0	0	0	110.8	I17 P67 D68 I69 Y82 E83 I85 I101	I17-V103 HydrophobicContact CG2-CB 4.28Å; I17-V103 HydrophobicContact CG2-CG1 3.17Å; P67-V103 HydrophobicContact CG-CG1 4.46Å; D68-V103 CarbonylContact O-C 3.53Å; D68-V103 VanDerWaalsContact O-CA 3.32Å; D68-V103 WeakPolarHBondContact O-CA 3.5Å; I69-V103 HydrophobicContact CG2-CG1 4Å; Y82-V103 CarbonylContact C-O 3.57Å; Y82-V103 WeakPolarHBondContact CA-O 3.38Å; E83-V103 PolarHBondContact N-O 2.66Å; E83-V103 VanDerWaalsContact O-CG2 3.23Å; E83-V103 WeakPolarHBondContact O-CG2 3.45Å; E83-V103 PolarHBondContact O-N 2.92Å; I85-V103 HydrophobicContact CD1-CG1 4.07Å; I85-V103 HydrophobicContact CG1-CG1 4.35Å; I85-V103 HydrophobicContact CG1-CG2 4.28Å; I101-V103 HydrophobicContact CG2-CG1 4.22Å
104	K	88.4	Confident	87.5	Confident	34 Å²	34	66 Å²	66	15%	0.148	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.5	172.7	173.3	173.1	-175.8	175.7	0	109	D68 E81 Y82 L106	D68-K104 HydrophobicContact CB-CB 4.16Å; D68-K104 PolarHBondContact N-O 3.14Å; D68-K104 PolarHBondContact O-N 2.86Å; E81-K104 HydrophobicContact CB-CD 4.05Å; E81-K104 HydrophobicContact CB-CG 4.43Å; E81-K104 WeakPolarHBondContact O-CG 3.44Å; E81-K104 WeakPolarHBondContact OE1-CE 3.38Å; E81-K104 IonicContact OE1-NZ 2.66Å; E81-K104 PolarHBondContact OE1-NZ 3.23Å; E81-K104 VanDerWaalsContact OE1-NZ 3.08Å; E81-K104 IonicContact OE2-NZ 3.32Å; E81-K104 PolarHBondContact OE2-NZ 2.86Å; Y82-K104 HydrophobicContact CD1-CB 3.73Å; Y82-K104 HydrophobicContact CD2-CB 3.88Å; Y82-K104 HydrophobicContact CD2-CD 4.21Å; Y82-K104 HydrophobicContact CE1-CB 3.61Å; Y82-K104 HydrophobicContact CE2-CB 3.75Å; Y82-K104 HydrophobicContact CE2-CD 3.71Å; Y82-K104 HydrophobicContact CE2-CG 4.34Å; Y82-K104 HydrophobicContact CG-CB 3.87Å; K104-L106 HydrophobicContact CG-CG 4.24Å
105	R	85	Confident	87.2	Confident	94 Å²	94	62.5 Å²	62.5	36%	0.355	29%	0.286	S	S	.	.			trans	-113	118.5	179.1	-59.7	-176.5	-165.5	82.5	-7.6	108.8	D16 E83	D16-R105 IonicContact OD1-CZ 2.67Å; D16-R105 IonicContact OD1-NE 3.18Å; D16-R105 PolarHBondContact OD1-NE 3.14Å; D16-R105 IonicContact OD1-NH2 2.84Å; D16-R105 PolarHBondContact OD1-NH2 2.77Å; D16-R105 IonicContact OD2-NH2 2.86Å; E83-R105 IonicContact OE2-NH1 3Å; E83-R105 PolarHBondContact OE2-NH1 3.27Å
106	L	82.5	Confident	86.7	Confident	65 Å²	65	63.5 Å²	63.5	34%	0.34	29%	0.293	S	S	.	.			trans	-119.8	150.7	176.1	-69.5	179.6	0	0	0	109.9	K104 R108 V111	K104-L106 HydrophobicContact CG-CG 4.24Å; L106-R108 PolarHBondContact O-N 2.72Å; L106-V111 HydrophobicContact CB-CG1 3.58Å; L106-V111 HydrophobicContact CD1-CG1 3.68Å; L106-V111 HydrophobicContact CG-CG1 4.28Å
107	L	80.5	Confident	86.4	Confident	105 Å²	105	66.4 Å²	66.4	55%	0.55	31%	0.307	S	S	.	.			trans	-62.5	140.4	172.9	-61.8	174.2	0	0	0	109.4	K109 Q110	L107-K109 HydrophobicContact CB-CG 4.06Å; L107-K109 PolarHBondContact O-N 3.18Å; L107-Q110 HydrophobicContact CB-CG 4.34Å; L107-Q110 WeakPolarHBondContact O-CB 3.42Å; L107-Q110 PolarHBondContact O-N 3.47Å
108	R	76.4	Confident	86.5	Confident	160 Å²	160	61.9 Å²	61.9	60%	0.604	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-48.4	-34.4	179.1	-173.1	-174.2	170.8	107.3	3.5	113.5	L106 Q110 V111 V149 Y150	L106-R108 PolarHBondContact O-N 2.72Å; R108-Q110 VanDerWaalsContact C-N 3.26Å; R108-Q110 PolarHBondContact O-N 3Å; R108-V111 WeakPolarHBondContact O-CG2 3.41Å; R108-V149 HydrophobicContact CG-CG1 3.69Å; R108-Y150 PolarHBondContact NH2-O 2.75Å
109	K	78.4	Confident	86.6	Confident	154 Å²	154	54.6 Å²	54.6	67%	0.67	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66.9	-23.7	178.8	67.4	-178	-179.1	178.5	0	113.9	L107 K151	L107-K109 HydrophobicContact CB-CG 4.06Å; L107-K109 PolarHBondContact O-N 3.18Å; K109-K151 WeakPolarHBondContact O-CE 3.28Å; K109-K151 PolarHBondContact O-NZ 2.93Å
110	Q	82.4	Confident	86.7	Confident	119 Å²	119	52 Å²	52	56%	0.556	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-90.7	-13.6	-175.5	-63.7	175.9	-77.4	0	0	113.4	L107 R108	L107-Q110 HydrophobicContact CB-CG 4.34Å; L107-Q110 WeakPolarHBondContact O-CB 3.42Å; L107-Q110 PolarHBondContact O-N 3.47Å; R108-Q110 VanDerWaalsContact C-N 3.26Å; R108-Q110 PolarHBondContact O-N 3Å
111	V	81.3	Confident	86.7	Confident	27 Å²	27	51.4 Å²	51.4	16%	0.164	25%	0.25	C	S	.	.			trans	-105.8	147.7	-175	-62.2	0	0	0	0	112.5	L106 R108 D113 V149 K151	L106-V111 HydrophobicContact CB-CG1 3.58Å; L106-V111 HydrophobicContact CD1-CG1 3.68Å; L106-V111 HydrophobicContact CG-CG1 4.28Å; R108-V111 WeakPolarHBondContact O-CG2 3.41Å; V111-D113 WeakPolarHBondContact CB-O 3.38Å; V111-V149 HydrophobicContact CG2-CB 4.28Å; V111-V149 HydrophobicContact CG2-CG1 4.3Å; V111-V149 HydrophobicContact CG2-CG2 4.05Å; V111-K151 WeakPolarHBondContact O-CE 2.99Å
112	T	82.2	Confident	86.7	Confident	102 Å²	102	52.4 Å²	52.4	63%	0.626	26%	0.258	S	S	*	.	S	Bend	trans	-93.2	-30.9	172.9	38.6	0	0	0	0	112.2	P148 V149	T112-P148 WeakPolarHBondContact O-CA 3.42Å; T112-V149 PolarHBondContact O-N 3.18Å
113	D	83.9	Confident	86.6	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.6	-177.4	51.2	-25.2	0	0	0	108.1	V111 R147	V111-D113 WeakPolarHBondContact CB-O 3.38Å; D113-R147 CarbonylContact C-O 3.59Å; D113-R147 WeakPolarHBondContact CA-O 3.18Å; D113-R147 WeakPolarHBondContact CB-O 3.41Å
114	A	84.5	Confident	86.4	Confident	26 Å²	26	65 Å²	65	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.2	175.5	0	0	0	0	0	107.5	Y146 R147 V149	A114-Y146 CarbonylContact O-C 3.55Å; A114-Y146 WeakPolarHBondContact O-CA 3.16Å; A114-Y146 WeakPolarHBondContact O-CD1 3.28Å; A114-R147 PolarHBondContact N-O 2.95Å; A114-R147 PolarHBondContact O-N 2.76Å; A114-V149 HydrophobicContact CB-CG2 3.5Å; A114-V149 VanDerWaalsContact CB-CG2 3.5Å
115	V	86.7	Confident	86.2	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	153.7	167.8	171.8	0	0	0	0	107.7	W66 P67 E117 I118 F144 K145 Y146	W66-V115 HydrophobicContact CB-CB 3.88Å; W66-V115 HydrophobicContact CB-CG1 4.21Å; W66-V115 WeakPolarHBondContact CB-O 3.32Å; W66-V115 HydrophobicContact CE3-CG1 4.45Å; P67-V115 WeakPolarHBondContact O-CB 3.41Å; P67-V115 WeakPolarHBondContact O-CG2 3.42Å; V115-E117 WeakPolarHBondContact CG1-O 3.24Å; V115-I118 HydrophobicContact CG1-CD1 4.43Å; V115-I118 HydrophobicContact CG1-CG1 3.86Å; V115-F144 HydrophobicContact CG1-CB 3.98Å; V115-F144 HydrophobicContact CG2-CD2 3.8Å; V115-F144 HydrophobicContact CG2-CE2 4.39Å; V115-F144 HydrophobicContact CG2-CG 4.35Å; V115-K145 CarbonylContact C-O 3.33Å; V115-K145 WeakPolarHBondContact CA-O 3.45Å; V115-Y146 HydrophobicContact CG2-CD1 4.1Å; V115-Y146 HydrophobicContact CG2-CE1 3.59Å
116	C	84.7	Confident	86.4	Confident	23 Å²	23	76.2 Å²	76.2	16%	0.155	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	-2.9	179.3	80.7	0	0	0	0	112.5	W66 K145 R147	W66-C116 VanDerWaalsContact CD2-C 3.42Å; W66-C116 VanDerWaalsContact CE3-CA 3.49Å; W66-C116 WeakPolarHBondContact CH2-O 3.49Å; W66-C116 WeakPolarHBondContact CZ2-O 3.47Å; W66-C116 WeakPolarHBondContact CZ3-O 3.31Å; C116-K145 PolarHBondContact N-O 2.95Å; C116-R147 HydrophobicContact CB-CB 3.85Å; C116-R147 HydrophobicContact CB-CG 3.45Å; C116-R147 VanDerWaalsContact CB-CG 3.45Å; C116-R147 WeakPolarHBondContact SG-CG 3.24Å
117	E	87.5	Confident	86.8	Confident	65 Å²	65	75 Å²	75	30%	0.304	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	133.9	-175.3	-163.5	179.3	137.9	0	0	106.1	W66 V115 S119 H131 F144 K145	W66-E117 VanDerWaalsContact CE3-N 3.34Å; W66-E117 VanDerWaalsContact CZ3-CA 3.5Å; W66-E117 VanDerWaalsContact CZ3-N 3.31Å; V115-E117 WeakPolarHBondContact CG1-O 3.24Å; E117-S119 PolarHBondContact OE1-OG 3.34Å; E117-S119 VanDerWaalsContact OE1-OG 3.13Å; E117-H131 IonicContact OE1-NE2 3.08Å; E117-H131 PolarHBondContact OE1-NE2 2.95Å; E117-F144 CarbonylContact O-C 3.47Å; E117-F144 WeakPolarHBondContact O-CA 3.23Å; E117-F144 VanDerWaalsContact O-CB 3.24Å; E117-F144 WeakPolarHBondContact O-CB 3.19Å; E117-K145 HydrophobicContact CB-CB 4.16Å; E117-K145 HydrophobicContact CB-CD 4.48Å; E117-K145 HydrophobicContact CB-CG 4.42Å; E117-K145 PolarHBondContact O-N 3.16Å; E117-K145 IonicContact OE1-NZ 2.76Å; E117-K145 PolarHBondContact OE1-NZ 3.4Å; E117-K145 WeakPolarHBondContact OE2-CD 3.12Å; E117-K145 IonicContact OE2-NZ 3.89Å; E117-K145 PolarHBondContact OE2-NZ 3.01Å
118	I	92.1	Very high	87.3	Confident	11 Å²	11	71.6 Å²	71.6	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.5	166.3	-61.6	173.8	0	0	0	105.1	I17 I33 I63 I69 V115 L142 C143 F144	I17-I118 HydrophobicContact CD1-CD1 3.98Å; I33-I118 HydrophobicContact CD1-CB 4.08Å; I33-I118 HydrophobicContact CD1-CG2 3.86Å; I33-I118 VanDerWaalsContact CD1-O 3.24Å; I33-I118 WeakPolarHBondContact CD1-O 3.21Å; I63-I118 HydrophobicContact CD1-CB 3.53Å; I63-I118 HydrophobicContact CD1-CD1 3.62Å; I63-I118 HydrophobicContact CD1-CG1 3.93Å; I63-I118 HydrophobicContact CD1-CG2 4.17Å; I63-I118 HydrophobicContact CG1-CD1 4Å; I69-I118 HydrophobicContact CD1-CD1 3.76Å; I69-I118 HydrophobicContact CD1-CG1 3.92Å; I69-I118 HydrophobicContact CD1-CG2 4.14Å; I69-I118 HydrophobicContact CG2-CD1 4.18Å; V115-I118 HydrophobicContact CG1-CD1 4.43Å; V115-I118 HydrophobicContact CG1-CG1 3.86Å; I118-L142 HydrophobicContact CG2-CD1 3.65Å; I118-C143 WeakPolarHBondContact CA-O 3.47Å; I118-F144 HydrophobicContact CG1-CB 4.23Å
119	S	92.9	Very high	87.9	Confident	11 Å²	11	68 Å²	68	8%	0.077	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139.8	-173.1	-63.3	0	0	0	0	108.8	E117 C143	E117-S119 PolarHBondContact OE1-OG 3.34Å; E117-S119 VanDerWaalsContact OE1-OG 3.13Å; S119-C143 PolarHBondContact N-O 3.48Å; S119-C143 PolarHBondContact O-N 2.9Å
120	I	95.4	Very high	88.4	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.1	177.1	-56	176.1	0	0	0	107.7	I33 A36 A37 V44 L46 I61 L140 L141 L142	I33-I120 HydrophobicContact CB-CD1 4.45Å; I33-I120 HydrophobicContact CG2-CD1 3.99Å; I33-I120 HydrophobicContact CG2-CG1 4.16Å; A36-I120 CarbonylContact C-O 3.54Å; A36-I120 VanDerWaalsContact CA-O 3.3Å; A36-I120 WeakPolarHBondContact CA-O 3.49Å; A37-I120 PolarHBondContact N-O 3.06Å; V44-I120 HydrophobicContact CB-CB 4.37Å; V44-I120 HydrophobicContact CB-CD1 4.21Å; V44-I120 HydrophobicContact CB-CG2 4.07Å; V44-I120 HydrophobicContact CG1-CB 3.97Å; V44-I120 HydrophobicContact CG1-CG2 3.53Å; V44-I120 HydrophobicContact CG2-CD1 4.3Å; L46-I120 HydrophobicContact CD1-CD1 4.28Å; L46-I120 HydrophobicContact CD2-CD1 3.93Å; L46-I120 HydrophobicContact CG-CD1 4.45Å; I61-I120 HydrophobicContact CD1-CD1 4.16Å; I120-L140 HydrophobicContact CG2-CB 3.76Å; I120-L140 HydrophobicContact CG2-CD1 4.31Å; I120-L140 HydrophobicContact CG2-CD2 4.41Å; I120-L140 HydrophobicContact CG2-CG 4.39Å; I120-L141 CarbonylContact C-O 3.6Å; I120-L141 WeakPolarHBondContact CA-O 3.39Å; I120-L142 HydrophobicContact CG1-CD1 3.97Å
121	F	96	Very high	88.9	Confident	11 Å²	11	61 Å²	61	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	179	-57.6	-91.5	0	0	0	110.3	A37 D38 Q124 P128 H131 L140 L141 C143	A37-F121 HydrophobicContact CB-CD1 3.95Å; A37-F121 HydrophobicContact CB-CE1 3.57Å; A37-F121 HydrophobicContact CB-CZ 3.94Å; D38-F121 HydrophobicContact CB-CD1 3.83Å; D38-F121 WeakPolarHBondContact OD1-CA 3.42Å; F121-Q124 HydrophobicContact CB-CB 3.83Å; F121-Q124 HydrophobicContact CB-CG 4.04Å; F121-Q124 HydrophobicContact CD1-CG 3.99Å; F121-Q124 HydrophobicContact CG-CB 4.35Å; F121-Q124 HydrophobicContact CG-CG 4.22Å; F121-P128 HydrophobicContact CD1-CG 4.02Å; F121-P128 HydrophobicContact CE1-CG 3.4Å; F121-P128 VanDerWaalsContact CE1-CG 3.4Å; F121-P128 HydrophobicContact CE2-CG 3.99Å; F121-P128 HydrophobicContact CZ-CG 3.39Å; F121-H131 AromaticContact CZ-CE1 3.7Å; F121-H131 AromaticContact CZ-NE2 3.78Å; F121-L140 WeakPolarHBondContact O-CA 3.39Å; F121-L141 HydrophobicContact CB-CB 4.13Å; F121-L141 PolarHBondContact N-O 2.94Å; F121-L141 PolarHBondContact O-N 3.27Å; F121-C143 HydrophobicContact CD2-CB 4.05Å; F121-C143 HydrophobicContact CE2-CB 3.72Å
122	A	94.5	Very high	89.5	Confident	20 Å²	20	65.7 Å²	65.7	17%	0.165	34%	0.342	C	S	.	.	S	Bend	trans	-102.1	-23.2	-175.1	0	0	0	0	0	113.9	A36 D38 Y42 L140	A36-A122 HydrophobicContact CB-CB 3.68Å; D38-A122 PolarHBondContact OD1-N 2.83Å; D38-A122 PolarHBondContact OD2-N 2.79Å; Y42-A122 HydrophobicContact CD1-CB 3.6Å; Y42-A122 HydrophobicContact CD2-CB 3.8Å; Y42-A122 HydrophobicContact CE1-CB 3.93Å; Y42-A122 HydrophobicContact CE2-CB 4.07Å; Y42-A122 HydrophobicContact CG-CB 3.55Å; A122-L140 HydrophobicContact CB-CD2 3.82Å
123	R	90.8	Very high	90	Very high	183 Å²	183	66.7 Å²	66.7	69%	0.691	34%	0.335	S	S	*	.	S	Bend	trans	-114.7	-27.7	-175.2	-58.2	176.5	179.3	-108.5	3.7	112.3	D38 D39	D38-R123 WeakPolarHBondContact OD2-CA 3.46Å; D38-R123 WeakPolarHBondContact OD2-CB 3.39Å; D38-R123 PolarHBondContact OD2-N 3.28Å; D39-R123 IonicContact OD2-CZ 3.38Å; D39-R123 IonicContact OD2-NE 3.16Å; D39-R123 PolarHBondContact OD2-NE 2.8Å; D39-R123 IonicContact OD2-NH2 2.76Å; D39-R123 PolarHBondContact OD2-NH2 3.37Å
124	Q	88	Confident	90.5	Very high	84 Å²	84	64 Å²	64	39%	0.393	32%	0.323	S	S	.	.			trans	-67	135	178.3	-64.8	-90.3	-18	0	0	111.7	D38 F121 K126 L141	D38-Q124 HydrophobicContact CB-CG 4.3Å; D38-Q124 WeakPolarHBondContact OD2-CG 3.48Å; D38-Q124 PolarHBondContact OD2-N 3.47Å; D38-Q124 VanDerWaalsContact OD2-N 3.14Å; F121-Q124 HydrophobicContact CB-CB 3.83Å; F121-Q124 HydrophobicContact CB-CG 4.04Å; F121-Q124 HydrophobicContact CD1-CG 3.99Å; F121-Q124 HydrophobicContact CG-CB 4.35Å; F121-Q124 HydrophobicContact CG-CG 4.22Å; Q124-K126 PolarHBondContact OE1-O 3.32Å; Q124-L141 HydrophobicContact CB-CD2 4.4Å
125	K	84.1	Confident	90.9	Very high	198 Å²	198	63.1 Å²	63.1	86%	0.861	32%	0.316	S	S	*	.	S	Bend	trans	-94	-10.5	170.8	-63.5	-170.9	-174.6	-174.6	0	113.4
126	K	89.3	Confident	91.2	Very high	164 Å²	164	65.8 Å²	65.8	71%	0.713	33%	0.33	S	S	*	.	S	Bend	trans	-140.8	151.1	-178.6	-66.4	-174.6	179.7	-179	0	109.1	Q124	Q124-K126 PolarHBondContact OE1-O 3.32Å
127	P	90.5	Very high	91.6	Very high	41 Å²	41	64.9 Å²	64.9	27%	0.266	32%	0.324	S	S	.	.			trans	-59.1	130.1	176.7	-20.4	29.5	0	0	0	111	H131 Y133 L141	P127-H131 HydrophobicContact CB-CB 3.89Å; P127-H131 VanDerWaalsContact CB-O 3.23Å; P127-H131 WeakPolarHBondContact CB-O 3.3Å; P127-Y133 HydrophobicContact CG-CD2 4.24Å; P127-Y133 HydrophobicContact CG-CG 4.23Å; P127-L141 HydrophobicContact CG-CD2 4.46Å
128	P	90.8	Very high	91.7	Very high	32 Å²	32	64.3 Å²	64.3	21%	0.208	32%	0.323	C	S	.	.			trans	-79.7	139.4	176.7	28.2	-30.6	0	0	0	111.8	F121 N130 H131	F121-P128 HydrophobicContact CD1-CG 4.02Å; F121-P128 HydrophobicContact CE1-CG 3.4Å; F121-P128 VanDerWaalsContact CE1-CG 3.4Å; F121-P128 HydrophobicContact CE2-CG 3.99Å; F121-P128 HydrophobicContact CZ-CG 3.39Å; P128-N130 PolarHBondContact O-N 2.78Å; P128-H131 PolarHBondContact O-N 2.95Å; P128-H131 PolarHBondContact O-ND1 3.43Å
129	G	89.3	Confident	91.6	Very high	84 Å²	84	65.7 Å²	65.7	87%	0.866	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-123	171.8	0	0	0	0	0	113.1
130	N	89.3	Confident	91.6	Very high	99 Å²	99	65.3 Å²	65.3	53%	0.529	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	20.1	-178.2	66.6	-27	0	0	0	113.9	P128 K145	P128-N130 PolarHBondContact O-N 2.78Å; N130-K145 WeakPolarHBondContact OD1-CE 3.22Å
131	H	93.3	Very high	91.7	Very high	28 Å²	28	65.5 Å²	65.5	13%	0.13	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-77.8	140.6	171.1	-69.5	89.6	0	0	0	111.1	E117 F121 P127 P128 C143 F144 K145	E117-H131 IonicContact OE1-NE2 3.08Å; E117-H131 PolarHBondContact OE1-NE2 2.95Å; F121-H131 AromaticContact CZ-CE1 3.7Å; F121-H131 AromaticContact CZ-NE2 3.78Å; P127-H131 HydrophobicContact CB-CB 3.89Å; P127-H131 VanDerWaalsContact CB-O 3.23Å; P127-H131 WeakPolarHBondContact CB-O 3.3Å; P128-H131 PolarHBondContact O-N 2.95Å; P128-H131 PolarHBondContact O-ND1 3.43Å; H131-C143 HydrophobicContact CB-CB 4.06Å; H131-F144 CarbonylContact C-O 3.58Å; H131-F144 WeakPolarHBondContact CA-O 2.93Å; H131-K145 WeakPolarHBondContact CE1-CE 3.35Å; H131-K145 PolarHBondContact CE1-NZ 2.95Å; H131-K145 VanDerWaalsContact CE1-NZ 3.31Å; H131-K145 WeakPolarHBondContact ND1-CE 3.44Å; H131-K145 WeakPolarHBondContact NE2-CE 3.21Å; H131-K145 PolarHBondContact NE2-NZ 3.01Å
132	Y	93.4	Very high	91.6	Very high	125 Å²	125	65.1 Å²	65.1	49%	0.49	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	148.6	166.3	-62.8	-92.6	0	0	0	109.7	C143 F144 Y146	Y132-C143 WeakPolarHBondContact O-CA 3.49Å; Y132-C143 WeakPolarHBondContact O-CB 3.23Å; Y132-F144 HydrophobicContact CD2-CD2 4.47Å; Y132-F144 HydrophobicContact CD2-CE2 4.35Å; Y132-F144 HydrophobicContact CG-CE2 4.05Å; Y132-F144 PolarHBondContact N-O 2.69Å; Y132-F144 PolarHBondContact O-N 3.31Å; Y132-Y146 AromaticContact CD2-CD2 3.77Å; Y132-Y146 HydrophobicContact CD2-CD2 3.77Å; Y132-Y146 HydrophobicContact CD2-CE2 4.34Å; Y132-Y146 HydrophobicContact CE1-CD2 4.46Å; Y132-Y146 AromaticContact CE2-CD2 3.61Å; Y132-Y146 HydrophobicContact CE2-CD2 3.61Å; Y132-Y146 HydrophobicContact CE2-CE2 4.48Å; Y132-Y146 HydrophobicContact CE2-CG 4.42Å; Y132-Y146 HydrophobicContact CG-CD2 4.3Å; Y132-Y146 HydrophobicContact CG-CE2 4.44Å; Y132-Y146 AromaticContact CZ-CD2 3.96Å
133	Y	93.5	Very high	91.6	Very high	123 Å²	123	64.1 Å²	64.1	48%	0.482	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.1	177.4	-177.9	-125.2	0	0	0	110.5	P127 G135 D136 L141	P127-Y133 HydrophobicContact CG-CD2 4.24Å; P127-Y133 HydrophobicContact CG-CG 4.23Å; Y133-G135 VanDerWaalsContact CE2-CA 3.43Å; Y133-G135 VanDerWaalsContact CE2-O 3.23Å; Y133-G135 WeakPolarHBondContact CE2-O 3.28Å; Y133-G135 VanDerWaalsContact CZ-C 3.42Å; Y133-G135 VanDerWaalsContact OH-C 3.26Å; Y133-G135 WeakPolarHBondContact OH-CA 3.43Å; Y133-D136 PolarHBondContact OH-N 2.68Å; Y133-D136 VanDerWaalsContact OH-N 3.12Å; Y133-L141 HydrophobicContact CD2-CD1 3.79Å; Y133-L141 HydrophobicContact CD2-CG 4.02Å; Y133-L141 HydrophobicContact CE2-CD1 3.27Å; Y133-L141 HydrophobicContact CE2-CG 3.9Å
134	A	93.3	Very high	91.7	Very high	15 Å²	15	56.1 Å²	56.1	12%	0.124	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-39.2	170.5	0	0	0	0	0	111.8	I69 L71 L142 F144	I69-A134 HydrophobicContact CD1-CB 4.41Å; I69-A134 HydrophobicContact CG1-CB 4.4Å; L71-A134 WeakPolarHBondContact CB-O 3.39Å; L71-A134 PolarHBondContact N-O 3.41Å; A134-L142 HydrophobicContact CB-CB 4.24Å; A134-L142 HydrophobicContact CB-CD2 4.01Å; A134-L142 HydrophobicContact CB-CG 3.86Å; A134-L142 WeakPolarHBondContact CB-O 3.35Å; A134-L142 PolarHBondContact N-O 2.85Å; A134-F144 HydrophobicContact CB-CD1 3.85Å; A134-F144 HydrophobicContact CB-CE1 3.72Å
135	G	93.8	Very high	91.8	Very high	6 Å²	6	53.4 Å²	53.4	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160	178.6	-174.9	0	0	0	0	0	113.3	Y133 L142	Y133-G135 VanDerWaalsContact CE2-CA 3.43Å; Y133-G135 VanDerWaalsContact CE2-O 3.23Å; Y133-G135 WeakPolarHBondContact CE2-O 3.28Å; Y133-G135 VanDerWaalsContact CZ-C 3.42Å; Y133-G135 VanDerWaalsContact OH-C 3.26Å; Y133-G135 WeakPolarHBondContact OH-CA 3.43Å; G135-L142 PolarHBondContact N-O 3.22Å; G135-L142 PolarHBondContact O-N 3.21Å
136	D	93.6	Very high	91.9	Very high	57 Å²	57	46.8 Å²	46.8	31%	0.305	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.9	174.4	179.3	-82.7	0	0	0	110	L71 K99 Y133 D138 G139 L140	L71-D136 VanDerWaalsContact CD2-O 3.28Å; L71-D136 WeakPolarHBondContact CD2-O 3.45Å; K99-D136 WeakPolarHBondContact CE-O 3.23Å; Y133-D136 PolarHBondContact OH-N 2.68Å; Y133-D136 VanDerWaalsContact OH-N 3.12Å; D136-D138 PolarHBondContact OD1-N 3.15Å; D136-G139 PolarHBondContact OD1-N 3.38Å; D136-G139 VanDerWaalsContact OD2-CA 3.24Å; D136-G139 WeakPolarHBondContact OD2-CA 3.32Å; D136-L140 WeakPolarHBondContact CA-O 3.12Å
137	I	93.3	Very high	91.6	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	99.6	175.2	-53.8	171.3	0	0	0	108	L46 L71 L96 I101 G139 L140 L142	L46-I137 HydrophobicContact CB-CG2 4.3Å; L46-I137 HydrophobicContact CD1-CD1 4.46Å; L46-I137 HydrophobicContact CD2-CB 4.36Å; L46-I137 HydrophobicContact CD2-CD1 4.17Å; L46-I137 HydrophobicContact CD2-CG2 4.35Å; L71-I137 HydrophobicContact CD1-CD1 3.77Å; L71-I137 HydrophobicContact CD1-CG1 3.86Å; L71-I137 HydrophobicContact CD2-CD1 4.29Å; L71-I137 HydrophobicContact CD2-CG1 3.54Å; L71-I137 HydrophobicContact CG-CG1 4.37Å; L96-I137 HydrophobicContact CD1-CD1 4.08Å; L96-I137 HydrophobicContact CD2-CG2 4.25Å; I101-I137 HydrophobicContact CD1-CD1 4.25Å; I101-I137 HydrophobicContact CG1-CD1 4.48Å; I137-G139 VanDerWaalsContact C-N 3.26Å; I137-G139 PolarHBondContact O-N 3.04Å; I137-L140 PolarHBondContact N-O 2.87Å; I137-L140 VanDerWaalsContact O-CB 3.3Å; I137-L140 WeakPolarHBondContact O-CB 3.21Å; I137-L140 PolarHBondContact O-N 2.98Å; I137-L142 HydrophobicContact CD1-CD2 4.25Å
138	D	88.4	Confident	91.2	Very high	52 Å²	52	48.2 Å²	48.2	28%	0.278	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	41.5	177.6	-64.7	-32.2	0	0	0	114.1	K48 D136	K48-D138 HydrophobicContact CB-CB 4.28Å; K48-D138 HydrophobicContact CD-CB 4.19Å; K48-D138 PolarHBondContact NZ-O 2.94Å; D136-D138 PolarHBondContact OD1-N 3.15Å
139	G	90	Very high	90.6	Very high	40 Å²	40	47.8 Å²	47.8	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	3.6	-179.1	0	0	0	0	0	114.7	D136 I137	D136-G139 PolarHBondContact OD1-N 3.38Å; D136-G139 VanDerWaalsContact OD2-CA 3.24Å; D136-G139 WeakPolarHBondContact OD2-CA 3.32Å; I137-G139 VanDerWaalsContact C-N 3.26Å; I137-G139 PolarHBondContact O-N 3.04Å
140	L	94.1	Very high	89.8	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.7	171.1	-63	178.6	0	0	0	109.9	Y42 V44 L46 I120 F121 A122 D136 I137 L142	Y42-L140 HydrophobicContact CD1-CD2 4.29Å; Y42-L140 HydrophobicContact CE1-CD2 3.66Å; V44-L140 HydrophobicContact CB-CD1 4.22Å; V44-L140 HydrophobicContact CG1-CD1 4.14Å; V44-L140 HydrophobicContact CG1-CD2 4.19Å; L46-L140 HydrophobicContact CD2-CB 4.47Å; L46-L140 HydrophobicContact CD2-CD1 3.76Å; I120-L140 HydrophobicContact CG2-CB 3.76Å; I120-L140 HydrophobicContact CG2-CD1 4.31Å; I120-L140 HydrophobicContact CG2-CD2 4.41Å; I120-L140 HydrophobicContact CG2-CG 4.39Å; F121-L140 WeakPolarHBondContact O-CA 3.39Å; A122-L140 HydrophobicContact CB-CD2 3.82Å; D136-L140 WeakPolarHBondContact CA-O 3.12Å; I137-L140 PolarHBondContact N-O 2.87Å; I137-L140 VanDerWaalsContact O-CB 3.3Å; I137-L140 WeakPolarHBondContact O-CB 3.21Å; I137-L140 PolarHBondContact O-N 2.98Å; L140-L142 PolarHBondContact O-N 3.12Å
141	L	95.5	Very high	88.7	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	111.1	-179.7	-158.5	82.8	0	0	0	109.7	I120 F121 Q124 P127 Y133	I120-L141 CarbonylContact C-O 3.6Å; I120-L141 WeakPolarHBondContact CA-O 3.39Å; F121-L141 HydrophobicContact CB-CB 4.13Å; F121-L141 PolarHBondContact N-O 2.94Å; F121-L141 PolarHBondContact O-N 3.27Å; Q124-L141 HydrophobicContact CB-CD2 4.4Å; P127-L141 HydrophobicContact CG-CD2 4.46Å; Y133-L141 HydrophobicContact CD2-CD1 3.79Å; Y133-L141 HydrophobicContact CD2-CG 4.02Å; Y133-L141 HydrophobicContact CE2-CD1 3.27Å; Y133-L141 HydrophobicContact CE2-CG 3.9Å
142	L	95.3	Very high	87.2	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.1	173.4	-178.6	63.6	0	0	0	109.8	I61 I69 L71 I101 I118 I120 A134 G135 I137 L140	I61-L142 HydrophobicContact CD1-CD1 3.93Å; I69-L142 HydrophobicContact CD1-CD2 4.42Å; I69-L142 HydrophobicContact CD1-CG 4.49Å; L71-L142 HydrophobicContact CD1-CD2 4.49Å; I101-L142 HydrophobicContact CD1-CD2 3.85Å; I101-L142 HydrophobicContact CG1-CD2 4.15Å; I118-L142 HydrophobicContact CG2-CD1 3.65Å; I120-L142 HydrophobicContact CG1-CD1 3.97Å; A134-L142 HydrophobicContact CB-CB 4.24Å; A134-L142 HydrophobicContact CB-CD2 4.01Å; A134-L142 HydrophobicContact CB-CG 3.86Å; A134-L142 WeakPolarHBondContact CB-O 3.35Å; A134-L142 PolarHBondContact N-O 2.85Å; G135-L142 PolarHBondContact N-O 3.22Å; G135-L142 PolarHBondContact O-N 3.21Å; I137-L142 HydrophobicContact CD1-CD2 4.25Å; L140-L142 PolarHBondContact O-N 3.12Å
143	C	95	Very high	85.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	162.3	-175.9	-77.4	0	0	0	0	111.7	I118 S119 F121 H131 Y132	I118-C143 WeakPolarHBondContact CA-O 3.47Å; S119-C143 PolarHBondContact N-O 3.48Å; S119-C143 PolarHBondContact O-N 2.9Å; F121-C143 HydrophobicContact CD2-CB 4.05Å; F121-C143 HydrophobicContact CE2-CB 3.72Å; H131-C143 HydrophobicContact CB-CB 4.06Å; Y132-C143 WeakPolarHBondContact O-CA 3.49Å; Y132-C143 WeakPolarHBondContact O-CB 3.23Å
144	F	92.4	Very high	83.4	Confident	14 Å²	14	68.3 Å²	68.3	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.9	176.1	58.6	-88.4	0	0	0	112.2	I69 V115 E117 I118 H131 Y132 A134 Y146	I69-F144 HydrophobicContact CD1-CB 4.2Å; I69-F144 HydrophobicContact CD1-CD1 3.86Å; I69-F144 HydrophobicContact CD1-CG 4.29Å; I69-F144 HydrophobicContact CG1-CD1 3.62Å; I69-F144 HydrophobicContact CG1-CE1 4Å; I69-F144 HydrophobicContact CG1-CG 4.12Å; V115-F144 HydrophobicContact CG1-CB 3.98Å; V115-F144 HydrophobicContact CG2-CD2 3.8Å; V115-F144 HydrophobicContact CG2-CE2 4.39Å; V115-F144 HydrophobicContact CG2-CG 4.35Å; E117-F144 CarbonylContact O-C 3.47Å; E117-F144 WeakPolarHBondContact O-CA 3.23Å; E117-F144 VanDerWaalsContact O-CB 3.24Å; E117-F144 WeakPolarHBondContact O-CB 3.19Å; I118-F144 HydrophobicContact CG1-CB 4.23Å; H131-F144 CarbonylContact C-O 3.58Å; H131-F144 WeakPolarHBondContact CA-O 2.93Å; Y132-F144 HydrophobicContact CD2-CD2 4.47Å; Y132-F144 HydrophobicContact CD2-CE2 4.35Å; Y132-F144 HydrophobicContact CG-CE2 4.05Å; Y132-F144 PolarHBondContact N-O 2.69Å; Y132-F144 PolarHBondContact O-N 3.31Å; A134-F144 HydrophobicContact CB-CD1 3.85Å; A134-F144 HydrophobicContact CB-CE1 3.72Å; F144-Y146 HydrophobicContact CD2-CE2 4.15Å; F144-Y146 HydrophobicContact CE2-CD2 4.12Å; F144-Y146 HydrophobicContact CE2-CE1 4.42Å; F144-Y146 AromaticContact CE2-CE2 3.41Å; F144-Y146 HydrophobicContact CE2-CE2 3.41Å; F144-Y146 VanDerWaalsContact CE2-CE2 3.41Å; F144-Y146 AromaticContact CE2-CZ 3.54Å; F144-Y146 HydrophobicContact CZ-CE2 4.38Å
145	K	90.3	Very high	81.1	Confident	28 Å²	28	79.1 Å²	79.1	12%	0.122	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.4	171.8	-66.2	-177.2	-169.4	138.6	0	110.7	V115 C116 E117 N130 H131	V115-K145 CarbonylContact C-O 3.33Å; V115-K145 WeakPolarHBondContact CA-O 3.45Å; C116-K145 PolarHBondContact N-O 2.95Å; E117-K145 HydrophobicContact CB-CB 4.16Å; E117-K145 HydrophobicContact CB-CD 4.48Å; E117-K145 HydrophobicContact CB-CG 4.42Å; E117-K145 PolarHBondContact O-N 3.16Å; E117-K145 IonicContact OE1-NZ 2.76Å; E117-K145 PolarHBondContact OE1-NZ 3.4Å; E117-K145 WeakPolarHBondContact OE2-CD 3.12Å; E117-K145 IonicContact OE2-NZ 3.89Å; E117-K145 PolarHBondContact OE2-NZ 3.01Å; N130-K145 WeakPolarHBondContact OD1-CE 3.22Å; H131-K145 WeakPolarHBondContact CE1-CE 3.35Å; H131-K145 PolarHBondContact CE1-NZ 2.95Å; H131-K145 VanDerWaalsContact CE1-NZ 3.31Å; H131-K145 WeakPolarHBondContact ND1-CE 3.44Å; H131-K145 WeakPolarHBondContact NE2-CE 3.21Å; H131-K145 PolarHBondContact NE2-NZ 3.01Å
146	Y	84.7	Confident	79.1	Confident	58 Å²	58	88 Å²	88	23%	0.227	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	149.9	168.4	-73.2	-68.1	0	0	0	112.1	D68 A114 V115 Y132 F144	D68-Y146 VanDerWaalsContact CG-OH 3.3Å; D68-Y146 PolarHBondContact OD1-OH 3.31Å; A114-Y146 CarbonylContact O-C 3.55Å; A114-Y146 WeakPolarHBondContact O-CA 3.16Å; A114-Y146 WeakPolarHBondContact O-CD1 3.28Å; V115-Y146 HydrophobicContact CG2-CD1 4.1Å; V115-Y146 HydrophobicContact CG2-CE1 3.59Å; Y132-Y146 AromaticContact CD2-CD2 3.77Å; Y132-Y146 HydrophobicContact CD2-CD2 3.77Å; Y132-Y146 HydrophobicContact CD2-CE2 4.34Å; Y132-Y146 HydrophobicContact CE1-CD2 4.46Å; Y132-Y146 AromaticContact CE2-CD2 3.61Å; Y132-Y146 HydrophobicContact CE2-CD2 3.61Å; Y132-Y146 HydrophobicContact CE2-CE2 4.48Å; Y132-Y146 HydrophobicContact CE2-CG 4.42Å; Y132-Y146 HydrophobicContact CG-CD2 4.3Å; Y132-Y146 HydrophobicContact CG-CE2 4.44Å; Y132-Y146 AromaticContact CZ-CD2 3.96Å; F144-Y146 HydrophobicContact CD2-CE2 4.15Å; F144-Y146 HydrophobicContact CE2-CD2 4.12Å; F144-Y146 HydrophobicContact CE2-CE1 4.42Å; F144-Y146 AromaticContact CE2-CE2 3.41Å; F144-Y146 HydrophobicContact CE2-CE2 3.41Å; F144-Y146 VanDerWaalsContact CE2-CE2 3.41Å; F144-Y146 AromaticContact CE2-CZ 3.54Å; F144-Y146 HydrophobicContact CZ-CE2 4.38Å
147	R	83.6	Confident	76.8	Confident	154 Å²	154	92.2 Å²	92.2	58%	0.581	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.5	163.4	-70.7	-75.7	-174.2	171.6	3.5	110.5	D113 A114 C116 V149	D113-R147 CarbonylContact C-O 3.59Å; D113-R147 WeakPolarHBondContact CA-O 3.18Å; D113-R147 WeakPolarHBondContact CB-O 3.41Å; A114-R147 PolarHBondContact N-O 2.95Å; A114-R147 PolarHBondContact O-N 2.76Å; C116-R147 HydrophobicContact CB-CB 3.85Å; C116-R147 HydrophobicContact CB-CG 3.45Å; C116-R147 VanDerWaalsContact CB-CG 3.45Å; C116-R147 WeakPolarHBondContact SG-CG 3.24Å; R147-V149 PolarHBondContact O-N 2.73Å
148	P	81.8	Confident	75.9	Confident	81 Å²	81	96.6 Å²	96.6	53%	0.526	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	134.3	172.2	-24.7	33.9	0	0	0	112.1	T112	T112-P148 WeakPolarHBondContact O-CA 3.42Å
149	V	79	Confident	75.3	Confident	24 Å²	24	98.9 Å²	98.9	15%	0.145	47%	0.474	C	S	.	.			trans	-93.8	103.5	172.7	176.6	0	0	0	0	108	R108 V111 T112 A114 R147 K151	R108-V149 HydrophobicContact CG-CG1 3.69Å; V111-V149 HydrophobicContact CG2-CB 4.28Å; V111-V149 HydrophobicContact CG2-CG1 4.3Å; V111-V149 HydrophobicContact CG2-CG2 4.05Å; T112-V149 PolarHBondContact O-N 3.18Å; A114-V149 HydrophobicContact CB-CG2 3.5Å; A114-V149 VanDerWaalsContact CB-CG2 3.5Å; R147-V149 PolarHBondContact O-N 2.73Å; V149-K151 PolarHBondContact O-N 3.14Å; V149-K151 VanDerWaalsContact O-N 3.14Å
150	Y	72	Confident	74.4	Confident	187 Å²	187	102.2 Å²	102.2	73%	0.733	48%	0.478	S	S	*	.			trans	-66.8	116.6	174.6	-58.8	-76.8	0	0	0	110.1	R108	R108-Y150 PolarHBondContact NH2-O 2.75Å
151	K	66.4	Low	73.3	Confident	94 Å²	94	108 Å²	108	41%	0.409	51%	0.505	S	S	.	.			trans	-80.7	122.7	170.9	-59.3	-175.1	-173	-173.9	0	107.5	K109 V111 V149 F153	K109-K151 WeakPolarHBondContact O-CE 3.28Å; K109-K151 PolarHBondContact O-NZ 2.93Å; V111-K151 WeakPolarHBondContact O-CE 2.99Å; V149-K151 PolarHBondContact O-N 3.14Å; V149-K151 VanDerWaalsContact O-N 3.14Å; K151-F153 PolarHBondContact O-N 2.96Å
152	R	61.4	Low	71.9	Confident	195 Å²	195	114.4 Å²	114.4	74%	0.736	53%	0.534	S	S	*	.			trans	-66.2	104.2	165.1	-96.4	-176	169.9	169.9	-4	106.1	R154	R152-R154 PolarHBondContact O-N 3.43Å; R152-R154 VanDerWaalsContact O-N 3.12Å
153	F	54.2	Low	70.3	Confident	189 Å²	189	121.9 Å²	121.9	83%	0.829	57%	0.569	S	S	*	*			trans	-67.4	107.5	163.9	-83.6	-88.6	0	0	0	106.8	K151 R155	K151-F153 PolarHBondContact O-N 2.96Å; F153-R155 PolarHBondContact O-N 2.67Å
154	R	53.6	Low	68.6	Low	225 Å²	225	130.6 Å²	130.6	85%	0.849	61%	0.61	S	S	*	*			trans	-68.1	113.9	161.8	-158.6	175.1	-166.4	146.4	2.8	104.6	R152 E156	R152-R154 PolarHBondContact O-N 3.43Å; R152-R154 VanDerWaalsContact O-N 3.12Å; R154-E156 VanDerWaalsContact C-N 3.35Å; R154-E156 PolarHBondContact O-N 2.95Å
155	R	45.4	Very low	66.8	Low	241 Å²	241	139.6 Å²	139.6	91%	0.909	65%	0.652	S	S	*	*			trans	-62.2	106	165.2	-78.9	-175.9	178.1	171.9	-1	105.4	F153 G157	F153-R155 PolarHBondContact O-N 2.67Å; R155-G157 PolarHBondContact O-N 2.76Å
156	E	50.4	Low	64.8	Low	192 Å²	192	148.9 Å²	148.9	90%	0.897	70%	0.696	S	S	*	*			trans	-69.2	113.7	158.8	-70	-173.2	161.1	0	0	105.3	R154	R154-E156 VanDerWaalsContact C-N 3.35Å; R154-E156 PolarHBondContact O-N 2.95Å
157	G	45.2	Very low	63	Low	147 Å²	147	157.2 Å²	157.2	100%	1.515	74%	0.739	S	S	*	*			trans	-102.8	0	171.7	0	0	0	0	0	109.6	R155	R155-G157 PolarHBondContact O-N 2.76Å

Retrieved 157 of 157 residues in 115.9 ms (Link to these results)

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