A0A077Z2P1_TRITR Loading...

MD-2-related lipid-recognition domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z2P1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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	42.3	Very low	51.9	Low	239 Å²	239	151.1 Å²	151.1	100%	1.177	82%	0.819	S	S	*	*				0	94.3	0	-80.8	159.4	65.8	0	0	108.4	L3	M1-L3 PolarHBondContact O-N 3.48Å
2	L	45.1	Very low	51.8	Low	176 Å²	176	146.3 Å²	146.3	92%	0.921	81%	0.805	S	S	*	*			trans	-80.3	97.5	171.2	-83.8	93	0	0	0	108.1
3	L	47.5	Very low	51.6	Low	177 Å²	177	142.6 Å²	142.6	93%	0.927	79%	0.79	S	S	*	*			trans	-94.3	118	171.7	-164.2	64.5	0	0	0	109.1	M1	M1-L3 PolarHBondContact O-N 3.48Å
4	K	57.1	Low	51.5	Low	179 Å²	179	140.7 Å²	140.7	78%	0.778	78%	0.784	S	S	*	*			trans	-77.3	144	-170.6	-68.8	177.7	174.3	-176.5	0	112.3
5	L	50.8	Low	51.5	Low	165 Å²	165	143.9 Å²	143.9	86%	0.864	79%	0.787	S	S	*	*			trans	30	121.1	140.5	-68.9	95.1	0	0	0	119.1
6	A	58.6	Low	51.7	Low	82 Å²	82	138 Å²	138	68%	0.678	76%	0.763	S	S	*	*			trans	-166.6	72.9	131.9	0	0	0	0	0	110.1	I8	A6-I8 HydrophobicContact CB-CG1 4.34Å; A6-I8 PolarHBondContact O-N 2.99Å
7	L	53	Low	53.1	Low	174 Å²	174	135.5 Å²	135.5	91%	0.911	76%	0.758	S	S	*	*			trans	-77.4	85.1	165.9	-161.3	81.6	0	0	0	107.3	S9	L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.01Å
8	I	58.7	Low	54.9	Low	146 Å²	146	128.7 Å²	128.7	75%	0.749	72%	0.72	S	S	*	*			trans	-75	87.4	174.7	-59	165.8	0	0	0	105.9	A6 C10	A6-I8 HydrophobicContact CB-CG1 4.34Å; A6-I8 PolarHBondContact O-N 2.99Å; I8-C10 VanDerWaalsContact C-N 3.29Å; I8-C10 PolarHBondContact O-N 2.84Å
9	S	56	Low	56.5	Low	83 Å²	83	127.1 Å²	127.1	58%	0.58	72%	0.716	S	S	*	*			trans	-68.6	98.6	167.3	67	0	0	0	0	106.6	L7 L11	L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.01Å; S9-L11 PolarHBondContact O-N 3.28Å; S9-L11 VanDerWaalsContact OG-CD1 3.28Å; S9-L11 WeakPolarHBondContact OG-CD1 3.42Å
10	C	51.6	Low	58.1	Low	108 Å²	108	123.3 Å²	123.3	73%	0.73	70%	0.696	S	S	*	*			trans	-63.2	82.3	166.3	-142.5	0	0	0	0	106.4	I8 S12	I8-C10 VanDerWaalsContact C-N 3.29Å; I8-C10 PolarHBondContact O-N 2.84Å; C10-S12 PolarHBondContact O-N 3.48Å
11	L	49.9	Very low	59.6	Low	133 Å²	133	118.4 Å²	118.4	70%	0.696	67%	0.669	S	S	*	*			trans	-66.3	86.1	157.8	-88.9	85.9	0	0	0	103.9	S9 T13	S9-L11 PolarHBondContact O-N 3.28Å; S9-L11 VanDerWaalsContact OG-CD1 3.28Å; S9-L11 WeakPolarHBondContact OG-CD1 3.42Å; L11-T13 PolarHBondContact O-N 3.18Å
12	S	50.4	Low	61.8	Low	93 Å²	93	111.2 Å²	111.2	65%	0.65	65%	0.647	S	S	*	*			trans	-58.1	85.8	155.5	-52	0	0	0	0	104.8	C10 V14	C10-S12 PolarHBondContact O-N 3.48Å; S12-V14 PolarHBondContact O-N 3.31Å
13	T	50.2	Low	63.9	Low	99 Å²	99	105.5 Å²	105.5	61%	0.607	62%	0.622	S	S	*	*			trans	-62.4	85.7	159.9	51.1	0	0	0	0	104	L11 F15	L11-T13 PolarHBondContact O-N 3.18Å; T13-F15 PolarHBondContact O-N 2.83Å
14	V	50.4	Low	66.1	Low	116 Å²	116	97 Å²	97	70%	0.703	58%	0.578	S	S	*	*			trans	-57.4	99.4	154.4	177.1	0	0	0	0	101.8	S12 A16	S12-V14 PolarHBondContact O-N 3.31Å; V14-A16 HydrophobicContact CG1-CB 4.29Å; V14-A16 PolarHBondContact O-N 3.12Å
15	F	50.6	Low	67.6	Low	189 Å²	189	94.3 Å²	94.3	83%	0.829	57%	0.568	S	S	*	*			trans	-57	89.7	156.8	-81	-86.5	0	0	0	103.1	T13 S17	T13-F15 PolarHBondContact O-N 2.83Å; F15-S17 PolarHBondContact O-N 3.48Å
16	A	54.7	Low	69.5	Low	49 Å²	49	94.8 Å²	94.8	41%	0.405	56%	0.563	S	S	.	*			trans	-69.5	86.7	179	0	0	0	0	0	104.4	V14 C18 N91	V14-A16 HydrophobicContact CG1-CB 4.29Å; V14-A16 PolarHBondContact O-N 3.12Å; A16-C18 PolarHBondContact O-N 2.84Å; A16-N91 PolarHBondContact O-ND2 2.76Å; A16-N91 PolarHBondContact O-OD1 2.8Å
17	S	75.8	Confident	71.1	Confident	96 Å²	96	95 Å²	95	67%	0.671	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-52.9	133.1	161	53.6	0	0	0	0	106.2	F15	F15-S17 PolarHBondContact O-N 3.48Å
18	C	84.8	Confident	72.9	Confident	12 Å²	12	88.3 Å²	88.3	8%	0.081	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-66.1	131.8	-178.7	-72.7	0	0	0	0	109.1	A16 T20 Y89 M90 N91 C97	A16-C18 PolarHBondContact O-N 2.84Å; C18-T20 PolarHBondContact O-N 2.85Å; C18-Y89 HydrophobicContact CB-CD1 3.75Å; C18-Y89 HydrophobicContact CB-CE1 3.95Å; C18-M90 VanDerWaalsContact SG-CA 3.6Å; C18-N91 PolarHBondContact SG-N 3.35Å; C18-C97 WeakPolarHBondContact CA-SG 3.48Å; C18-C97 HydrophobicContact CB-CB 3.74Å; C18-C97 WeakPolarHBondContact CB-SG 3.38Å; C18-C97 WeakPolarHBondContact SG-CB 3.46Å; C18-C97 CovalentContact SG-SG 2.03Å; C18-C97 PolarHBondContact SG-SG 2.88Å
19	P	86.7	Confident	74.5	Confident	98 Å²	98	86.6 Å²	86.6	64%	0.636	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-60.1	141.6	170.4	27.2	-33	0	0	0	108.2	Y89	P19-Y89 WeakPolarHBondContact O-CE1 3.38Å
20	T	87.7	Confident	76.2	Confident	52 Å²	52	85.3 Å²	85.3	32%	0.319	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-59.2	132	174.1	-65.2	0	0	0	0	108.6	C18 A22 I24 V168	C18-T20 PolarHBondContact O-N 2.85Å; T20-A22 PolarHBondContact O-N 2Å; T20-I24 HydrophobicContact CG2-CD1 4.47Å; T20-I24 HydrophobicContact CG2-CG1 4.03Å; T20-V168 HydrophobicContact CG2-CG2 3.49Å; T20-V168 VanDerWaalsContact CG2-CG2 3.49Å
21	P	89.8	Confident	78.1	Confident	21 Å²	21	83.4 Å²	83.4	14%	0.136	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-56.2	130.7	175.3	-23.2	31	0	0	0	111.2	S23 I24 E25 Y89 W99	P21-S23 PolarHBondContact O-N 2.9Å; P21-I24 HydrophobicContact CB-CD1 4.43Å; P21-I24 HydrophobicContact CB-CG1 4.11Å; P21-I24 HydrophobicContact CG-CD1 4.21Å; P21-I24 HydrophobicContact CG-CG1 4.39Å; P21-I24 VanDerWaalsContact O-CG1 3.29Å; P21-I24 WeakPolarHBondContact O-CG1 3.38Å; P21-I24 PolarHBondContact O-N 2.86Å; P21-E25 PolarHBondContact O-N 2.85Å; P21-Y89 HydrophobicContact CG-CD1 3.75Å; P21-Y89 HydrophobicContact CG-CD2 4.1Å; P21-Y89 HydrophobicContact CG-CE1 3.85Å; P21-Y89 HydrophobicContact CG-CE2 4.22Å; P21-Y89 HydrophobicContact CG-CG 3.88Å; P21-W99 HydrophobicContact CG-CZ2 4.08Å
22	A	88.6	Confident	80.1	Confident	87 Å²	87	81 Å²	81	72%	0.719	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-57.1	-28	-175.5	0	0	0	0	0	113.3	T20 I24	T20-A22 PolarHBondContact O-N 2Å; A22-I24 PolarHBondContact O-N 2.99Å
23	S	89.9	Confident	81.9	Confident	56 Å²	56	78.4 Å²	78.4	39%	0.392	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.5	178.5	53.4	0	0	0	0	114.6	P21	P21-S23 PolarHBondContact O-N 2.9Å
24	I	92.8	Very high	83.6	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-127.4	12.4	-177.2	60.1	172.7	0	0	0	113	T20 P21 A22 K26 T27 R29 Y56 W99 A143 E166 V168	T20-I24 HydrophobicContact CG2-CD1 4.47Å; T20-I24 HydrophobicContact CG2-CG1 4.03Å; P21-I24 HydrophobicContact CB-CD1 4.43Å; P21-I24 HydrophobicContact CB-CG1 4.11Å; P21-I24 HydrophobicContact CG-CD1 4.21Å; P21-I24 HydrophobicContact CG-CG1 4.39Å; P21-I24 VanDerWaalsContact O-CG1 3.29Å; P21-I24 WeakPolarHBondContact O-CG1 3.38Å; P21-I24 PolarHBondContact O-N 2.86Å; A22-I24 PolarHBondContact O-N 2.99Å; I24-K26 PolarHBondContact O-N 3.29Å; I24-T27 WeakPolarHBondContact CA-O 3.44Å; I24-R29 HydrophobicContact CG2-CB 3.67Å; I24-Y56 PolarHBondContact O-OH 2.8Å; I24-W99 HydrophobicContact CD1-CH2 3.89Å; I24-W99 HydrophobicContact CD1-CZ2 4.24Å; I24-A143 HydrophobicContact CD1-CB 3.89Å; I24-E166 HydrophobicContact CD1-CB 4.44Å; I24-E166 HydrophobicContact CG2-CB 3.59Å; I24-V168 HydrophobicContact CD1-CG2 4.49Å; I24-V168 HydrophobicContact CG1-CG2 4.46Å; I24-V168 WeakPolarHBondContact O-CG2 2.98Å
25	E	88.9	Confident	84.9	Confident	121 Å²	121	82.1 Å²	82.1	57%	0.565	45%	0.448	S	S	*	.	S	Bend	trans	-64.4	-32.9	-176.7	-168.3	-175.7	167.5	0	0	112.3	P21	P21-E25 PolarHBondContact O-N 2.85Å
26	K	90.8	Very high	86.2	Confident	176 Å²	176	76 Å²	76	77%	0.765	44%	0.438	S	S	*	.	S	Bend	trans	-119.4	-13.2	-171.6	-61.3	-177.5	-178.2	178.1	0	115	I24 Y56	I24-K26 PolarHBondContact O-N 3.29Å; K26-Y56 VanDerWaalsContact C-CD1 3.48Å; K26-Y56 VanDerWaalsContact C-CE1 3.44Å; K26-Y56 WeakPolarHBondContact O-CD1 3.38Å
27	T	91.2	Very high	87.3	Confident	87 Å²	87	85.5 Å²	85.5	53%	0.534	46%	0.463	S	S	.	.	S	Bend	trans	-154.8	157.4	-176.8	-176.4	0	0	0	0	110.6	I24	I24-T27 WeakPolarHBondContact CA-O 3.44Å
28	I	91.2	Very high	87.8	Confident	33 Å²	33	82.7 Å²	82.7	17%	0.169	44%	0.443	C	S	.	.			trans	-61.9	137.9	164.2	-60.1	175.9	0	0	0	108.4	V30 V47 Y56 V58 I165 E166	I28-V30 HydrophobicContact CG2-CG2 3.97Å; I28-V47 HydrophobicContact CD1-CB 3.94Å; I28-V47 HydrophobicContact CD1-CG2 3.62Å; I28-Y56 HydrophobicContact CG1-CD2 3.86Å; I28-Y56 HydrophobicContact CG1-CE2 3.72Å; I28-V58 HydrophobicContact CD1-CG2 3.89Å; I28-I165 HydrophobicContact CG2-CG2 3.5Å; I28-E166 WeakPolarHBondContact CA-O 3.46Å; I28-E166 WeakPolarHBondContact CG2-O 3.41Å
29	R	93.1	Very high	88.1	Confident	109 Å²	109	84.6 Å²	84.6	41%	0.411	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.6	169.3	177.1	179	172.2	97.4	2.5	109.1	I24 Q31 I165 E166	I24-R29 HydrophobicContact CG2-CB 3.67Å; R29-Q31 VanDerWaalsContact CZ-OE1 3.24Å; R29-I165 CarbonylContact O-C 3.54Å; R29-I165 WeakPolarHBondContact O-CA 3.48Å; R29-E166 HydrophobicContact CB-CB 4.34Å; R29-E166 PolarHBondContact N-O 3.39Å; R29-E166 PolarHBondContact O-N 3.12Å
30	V	91.4	Very high	88.4	Confident	57 Å²	57	80.3 Å²	80.3	35%	0.345	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.6	175.5	-175	0	0	0	0	108.4	I28 L45 R164 I165	I28-V30 HydrophobicContact CG2-CG2 3.97Å; V30-L45 HydrophobicContact CG1-CD1 4.37Å; V30-L45 HydrophobicContact CG2-CB 4.17Å; V30-L45 HydrophobicContact CG2-CD1 4.36Å; V30-L45 HydrophobicContact CG2-CD2 4.05Å; V30-L45 HydrophobicContact CG2-CG 4.42Å; V30-R164 WeakPolarHBondContact CA-O 3.32Å; V30-I165 HydrophobicContact CG2-CG1 4.44Å; V30-I165 HydrophobicContact CG2-CG2 4.46Å
31	Q	91.6	Very high	88.6	Confident	67 Å²	67	79.7 Å²	79.7	31%	0.313	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.1	177.8	63.9	179.5	55.8	0	0	110.8	R29 I163 R164	R29-Q31 VanDerWaalsContact CZ-OE1 3.24Å; Q31-I163 CarbonylContact O-C 3.54Å; Q31-I163 WeakPolarHBondContact O-CA 3.46Å; Q31-R164 HydrophobicContact CG-CB 3.97Å; Q31-R164 HydrophobicContact CG-CG 4.49Å; Q31-R164 PolarHBondContact N-O 2.83Å; Q31-R164 PolarHBondContact O-N 3.13Å
32	E	90.9	Very high	88.7	Confident	83 Å²	83	80.4 Å²	80.4	39%	0.388	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.6	169.3	-63.7	179.4	-179.1	0	0	109.8	P38 C162	E32-P38 WeakPolarHBondContact OE1-CG 3.47Å; E32-C162 VanDerWaalsContact CA-O 3.31Å; E32-C162 WeakPolarHBondContact CA-O 3.42Å
33	C	89.7	Confident	88.9	Confident	38 Å²	38	80.9 Å²	80.9	26%	0.257	42%	0.415	S	S	.	.	S	Bend	trans	-92.6	-18.7	-179.6	29.4	0	0	0	0	114.2	E147 C162 I163 R164	C33-E147 HydrophobicContact CB-CG 4.04Å; C33-E147 WeakPolarHBondContact SG-CG 3.07Å; C33-C162 HydrophobicContact CB-CB 4.29Å; C33-C162 WeakPolarHBondContact CB-SG 2.87Å; C33-C162 PolarHBondContact N-O 2.74Å; C33-C162 VanDerWaalsContact N-O 3.08Å; C33-C162 VanDerWaalsContact SG-CA 3.51Å; C33-C162 WeakPolarHBondContact SG-CB 3.31Å; C33-C162 PolarHBondContact SG-O 2.95Å; C33-C162 VanDerWaalsContact SG-O 3.36Å; C33-C162 CovalentContact SG-SG 2.03Å; C33-C162 PolarHBondContact SG-SG 2.83Å; C33-I163 PolarHBondContact SG-N 3.35Å; C33-R164 HydrophobicContact CB-CB 4.27Å
34	R	85.6	Confident	89.1	Confident	142 Å²	142	82.3 Å²	82.3	54%	0.536	42%	0.418	S	S	.	.	S	Bend	trans	-109.1	147.9	174	-64.5	-150.7	-163.7	-107.4	-3.1	111.3	E159 C162	R34-E159 WeakPolarHBondContact CD-OE1 3.29Å; R34-E159 IonicContact CZ-OE2 2.79Å; R34-E159 IonicContact NE-OE1 2.64Å; R34-E159 PolarHBondContact NE-OE1 3.45Å; R34-E159 IonicContact NE-OE2 3.43Å; R34-E159 PolarHBondContact NE-OE2 3.14Å; R34-E159 IonicContact NH2-OE2 3.25Å; R34-E159 PolarHBondContact NH2-OE2 3.14Å; R34-C162 HydrophobicContact CB-CB 4.23Å; R34-C162 HydrophobicContact CG-CB 3.8Å
35	T	76.9	Confident	89.1	Confident	151 Å²	151	83.4 Å²	83.4	93%	0.926	42%	0.424	S	S	*	.	S	Bend	trans	-80.1	135.9	169.5	53	0	0	0	0	109.6
36	G	78.9	Confident	89.2	Confident	61 Å²	61	79.4 Å²	79.4	63%	0.629	41%	0.407	S	S	*	.	S	Bend	trans	148.9	-170.2	179	0	0	0	0	0	112.6
37	R	77.4	Confident	89.3	Confident	248 Å²	248	71.4 Å²	71.4	94%	0.936	37%	0.373	S	S	*	.			trans	-105.1	99	167.2	-69.4	-176.8	-179	-176.2	0.3	107.3
38	P	85.3	Confident	89.4	Confident	38 Å²	38	68 Å²	68	25%	0.247	35%	0.352	C	S	.	.			trans	-66.5	150.9	-179.8	29.7	-35.4	0	0	0	110.4	E32 F40	E32-P38 WeakPolarHBondContact OE1-CG 3.47Å; P38-F40 VanDerWaalsContact C-N 3.29Å; P38-F40 WeakPolarHBondContact CB-O 3.41Å
39	I	92.3	Very high	89.3	Confident	52 Å²	52	68.7 Å²	68.7	27%	0.267	36%	0.356	S	S	.	.	S	Bend	trans	-65.7	-41.6	174.4	-62.2	175.3	0	0	0	109	N73 T158 L160	I39-N73 PolarHBondContact O-N 3.43Å; I39-T158 HydrophobicContact CD1-CG2 3.66Å; I39-L160 HydrophobicContact CB-CD2 4.39Å; I39-L160 HydrophobicContact CD1-CD2 4.23Å; I39-L160 HydrophobicContact CG2-CD2 4.2Å; I39-L160 PolarHBondContact N-O 2.98Å; I39-L160 VanDerWaalsContact N-O 3.16Å
40	F	92.7	Very high	89.1	Confident	7 Å²	7	68 Å²	68	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.6	174.9	-78.2	13.5	0	0	0	110.1	P38 V70 A71 N72 V77 M80 L118 L160 A161	P38-F40 VanDerWaalsContact C-N 3.29Å; P38-F40 WeakPolarHBondContact CB-O 3.41Å; F40-V70 HydrophobicContact CB-CG2 3.55Å; F40-V70 HydrophobicContact CD2-CG2 4.05Å; F40-V70 HydrophobicContact CG-CG2 3.84Å; F40-A71 WeakPolarHBondContact CA-O 3.44Å; F40-N72 HydrophobicContact CD1-CB 3.86Å; F40-N72 HydrophobicContact CE1-CB 3.66Å; F40-N72 VanDerWaalsContact CE1-OD1 3.32Å; F40-N72 WeakPolarHBondContact CE1-OD1 3.42Å; F40-V77 HydrophobicContact CE1-CG2 3.88Å; F40-V77 HydrophobicContact CZ-CB 4.03Å; F40-V77 HydrophobicContact CZ-CG1 4.5Å; F40-V77 HydrophobicContact CZ-CG2 3.64Å; F40-M80 HydrophobicContact CE2-SD 4.17Å; F40-L118 HydrophobicContact CE2-CD1 3.44Å; F40-L118 VanDerWaalsContact CE2-CD1 3.44Å; F40-L118 HydrophobicContact CZ-CB 4.12Å; F40-L118 HydrophobicContact CZ-CD1 3.59Å; F40-L160 HydrophobicContact CB-CB 4.46Å; F40-L160 WeakPolarHBondContact CB-O 3.49Å; F40-L160 HydrophobicContact CD1-CB 4.33Å; F40-L160 HydrophobicContact CD2-CB 3.87Å; F40-L160 HydrophobicContact CD2-CD1 4.41Å; F40-L160 HydrophobicContact CE1-CD2 4.16Å; F40-L160 HydrophobicContact CE2-CB 4.1Å; F40-L160 HydrophobicContact CE2-CD1 3.8Å; F40-L160 HydrophobicContact CE2-CG 4.45Å; F40-L160 HydrophobicContact CG-CB 4.01Å; F40-L160 HydrophobicContact CZ-CB 4.43Å; F40-L160 HydrophobicContact CZ-CD1 3.87Å; F40-L160 HydrophobicContact CZ-CD2 4.32Å; F40-L160 HydrophobicContact CZ-CG 4.44Å; F40-L160 PolarHBondContact N-O 3.38Å; F40-A161 HydrophobicContact CB-CB 3.82Å
41	C	92	Very high	89.1	Confident	40 Å²	40	71 Å²	71	27%	0.27	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119	172.5	-174.7	0	0	0	0	109.6	L43 V70 A71	C41-L43 PolarHBondContact O-N 2.94Å; C41-V70 CarbonylContact O-C 3.54Å; C41-V70 WeakPolarHBondContact O-CA 3.48Å; C41-A71 HydrophobicContact CB-CB 4.36Å; C41-A71 PolarHBondContact N-O 2.88Å; C41-A71 PolarHBondContact O-N 2.84Å
42	V	91.3	Very high	89.1	Confident	36 Å²	36	70.2 Å²	70.2	22%	0.218	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.6	177.9	176.3	0	0	0	0	109.2	L45 I68 I163	V42-L45 HydrophobicContact CG1-CB 4.37Å; V42-I68 HydrophobicContact CG1-CG2 3.95Å; V42-I68 HydrophobicContact CG2-CG2 4.21Å; V42-I163 HydrophobicContact CB-CG2 4.39Å; V42-I163 HydrophobicContact CG2-CG2 3.71Å
43	L	93.1	Very high	89.2	Confident	97 Å²	97	70.9 Å²	70.9	51%	0.508	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-34	-178.4	-57	-174.7	0	0	0	112.2	C41 V69 A71 I122	C41-L43 PolarHBondContact O-N 2.94Å; L43-V69 HydrophobicContact CB-CB 4.46Å; L43-V69 HydrophobicContact CB-CG1 4.31Å; L43-V69 HydrophobicContact CD1-CG1 4.34Å; L43-V69 PolarHBondContact N-O 2.86Å; L43-A71 HydrophobicContact CD1-CB 4.12Å; L43-A71 HydrophobicContact CD2-CB 4.26Å; L43-A71 HydrophobicContact CG-CB 4.2Å; L43-I122 HydrophobicContact CD1-CD1 3.52Å
44	N	93.6	Very high	89.3	Confident	85 Å²	85	75.4 Å²	75.4	46%	0.455	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	143.6	179.6	-168.6	-85.1	0	0	0	110.3	T46 I68 V69	N44-T46 WeakPolarHBondContact OD1-CG2 3.5Å; N44-I68 WeakPolarHBondContact O-CA 3.45Å; N44-V69 HydrophobicContact CB-CB 4.02Å; N44-V69 HydrophobicContact CB-CG2 4.07Å; N44-V69 PolarHBondContact N-O 2.89Å; N44-V69 PolarHBondContact O-N 2.83Å
45	L	92.7	Very high	89.5	Confident	24 Å²	24	74.1 Å²	74.1	13%	0.126	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.9	171.9	-175	154.7	0	0	0	109.3	V30 V42 V47 V66 H67 I68 I163 I165	V30-L45 HydrophobicContact CG1-CD1 4.37Å; V30-L45 HydrophobicContact CG2-CB 4.17Å; V30-L45 HydrophobicContact CG2-CD1 4.36Å; V30-L45 HydrophobicContact CG2-CD2 4.05Å; V30-L45 HydrophobicContact CG2-CG 4.42Å; V42-L45 HydrophobicContact CG1-CB 4.37Å; L45-V47 HydrophobicContact CD2-CG2 3.93Å; L45-V66 HydrophobicContact CD1-CG1 4.07Å; L45-V66 HydrophobicContact CD2-CG1 4.12Å; L45-V66 HydrophobicContact CG-CG1 3.93Å; L45-H67 VanDerWaalsContact CA-O 3.3Å; L45-H67 WeakPolarHBondContact CA-O 3.4Å; L45-I68 HydrophobicContact CD1-CD1 4.38Å; L45-I68 HydrophobicContact CD1-CG1 4.18Å; L45-I68 HydrophobicContact CG-CG1 4.31Å; L45-I163 HydrophobicContact CD1-CD1 4.18Å; L45-I165 HydrophobicContact CD1-CD1 3.59Å; L45-I165 HydrophobicContact CD1-CG1 4.11Å
46	T	92.6	Very high	90.2	Very high	36 Å²	36	69.7 Å²	69.7	22%	0.221	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.9	171.5	60.8	0	0	0	0	110.7	N44 H67	N44-T46 WeakPolarHBondContact OD1-CG2 3.5Å; T46-H67 PolarHBondContact N-O 2.88Å; T46-H67 PolarHBondContact O-N 2.84Å
47	V	91.3	Very high	90.8	Very high	8 Å²	8	68.9 Å²	68.9	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.2	178.7	-176.9	0	0	0	0	108.7	I28 L45 V58 F64 T65 V66	I28-V47 HydrophobicContact CD1-CB 3.94Å; I28-V47 HydrophobicContact CD1-CG2 3.62Å; L45-V47 HydrophobicContact CD2-CG2 3.93Å; V47-V58 HydrophobicContact CB-CG2 4.32Å; V47-V58 HydrophobicContact CG1-CG1 3.89Å; V47-V58 HydrophobicContact CG1-CG2 4.11Å; V47-F64 HydrophobicContact CG1-CB 4.09Å; V47-F64 HydrophobicContact CG1-CD2 3.58Å; V47-F64 HydrophobicContact CG1-CE2 4.36Å; V47-F64 HydrophobicContact CG1-CG 4.12Å; V47-T65 CarbonylContact C-O 3.44Å; V47-T65 WeakPolarHBondContact CA-O 3.3Å; V47-V66 HydrophobicContact CG2-CG2 4.38Å
48	T	93.4	Very high	91.3	Very high	15 Å²	15	57.6 Å²	57.6	9%	0.092	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.2	176.4	59.1	0	0	0	0	110.3	I53 Q54 F64 T65 H67	T48-I53 WeakPolarHBondContact CA-O 3.48Å; T48-Q54 HydrophobicContact CG2-CB 4.28Å; T48-F64 CarbonylContact O-C 3.44Å; T48-F64 WeakPolarHBondContact O-CA 3.39Å; T48-F64 WeakPolarHBondContact O-CB 3.37Å; T48-T65 PolarHBondContact N-O 2.83Å; T48-T65 PolarHBondContact O-N 2.94Å; T48-T65 WeakPolarHBondContact OG1-CB 3.19Å; T48-H67 PolarHBondContact OG1-NE2 3.47Å
49	N	90.5	Very high	91.4	Very high	49 Å²	49	57.1 Å²	57.1	26%	0.262	32%	0.318	S	S	.	.			trans	-75.4	-175.1	173.9	73.5	-5.1	0	0	0	111.3	D51 G52 I53	N49-D51 PolarHBondContact ND2-OD2 2.88Å; N49-D51 PolarHBondContact O-N 2.85Å; N49-D51 VanDerWaalsContact O-N 3.14Å; N49-D51 WeakPolarHBondContact OD1-CA 3.39Å; N49-D51 WeakPolarHBondContact OD1-CB 3.48Å; N49-D51 PolarHBondContact OD1-N 3.16Å; N49-G52 PolarHBondContact O-N 3.35Å; N49-G52 PolarHBondContact OD1-N 2.81Å; N49-I53 PolarHBondContact N-O 3.35Å; N49-I53 PolarHBondContact OD1-N 3.49Å; N49-I53 PolarHBondContact OD1-O 2.97Å
50	S	87.4	Confident	91	Very high	95 Å²	95	54.7 Å²	54.7	66%	0.664	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.3	177.1	53.3	0	0	0	0	114.6	G52	S50-G52 VanDerWaalsContact C-N 3.31Å
51	D	91.3	Very high	90.5	Very high	118 Å²	118	59.1 Å²	59.1	63%	0.631	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3.1	179.3	-47.3	-46.1	0	0	0	112	N49 I53	N49-D51 PolarHBondContact ND2-OD2 2.88Å; N49-D51 PolarHBondContact O-N 2.85Å; N49-D51 VanDerWaalsContact O-N 3.14Å; N49-D51 WeakPolarHBondContact OD1-CA 3.39Å; N49-D51 WeakPolarHBondContact OD1-CB 3.48Å; N49-D51 PolarHBondContact OD1-N 3.16Å; D51-I53 HydrophobicContact CB-CD1 4.09Å; D51-I53 HydrophobicContact CB-CG1 4.15Å; D51-I53 PolarHBondContact O-N 2.78Å
52	G	91.5	Very high	90.2	Very high	51 Å²	51	63.3 Å²	63.3	53%	0.526	34%	0.335	S	S	.	.	S	Bend	trans	75	11.2	-176.2	0	0	0	0	0	114.1	N49 S50	N49-G52 PolarHBondContact O-N 3.35Å; N49-G52 PolarHBondContact OD1-N 2.81Å; S50-G52 VanDerWaalsContact C-N 3.31Å
53	I	93.2	Very high	90	Very high	98 Å²	98	64.8 Å²	64.8	50%	0.503	35%	0.346	S	S	.	.			trans	-89.4	127.2	-178.2	-58.3	173.5	0	0	0	109.3	T48 N49 D51 K55	T48-I53 WeakPolarHBondContact CA-O 3.48Å; N49-I53 PolarHBondContact N-O 3.35Å; N49-I53 PolarHBondContact OD1-N 3.49Å; N49-I53 PolarHBondContact OD1-O 2.97Å; D51-I53 HydrophobicContact CB-CD1 4.09Å; D51-I53 HydrophobicContact CB-CG1 4.15Å; D51-I53 PolarHBondContact O-N 2.78Å; I53-K55 PolarHBondContact O-N 3.04Å
54	Q	92.4	Very high	89.8	Confident	133 Å²	133	60.8 Å²	60.8	62%	0.621	32%	0.324	S	S	*	.			trans	-77.1	108.4	168.4	-175.6	173.3	37	0	0	109	T48	T48-Q54 HydrophobicContact CG2-CB 4.28Å
55	K	90.6	Very high	89.7	Confident	114 Å²	114	58.1 Å²	58.1	50%	0.496	31%	0.311	S	S	.	.			trans	-129.7	142.2	177.7	-171.1	-175.3	-179.6	-168.4	0	109.5	I53 E170	I53-K55 PolarHBondContact O-N 3.04Å; K55-E170 WeakPolarHBondContact CE-OE1 3.47Å; K55-E170 IonicContact NZ-OE1 2.99Å; K55-E170 PolarHBondContact NZ-OE1 3.48Å
56	Y	90.4	Very high	89.6	Confident	58 Å²	58	57.4 Å²	57.4	23%	0.227	31%	0.308	C	S	.	.	S	Bend	trans	-123.1	139.6	171.3	-168.3	-99.2	0	0	0	109.8	I24 K26 I28 V168	I24-Y56 PolarHBondContact O-OH 2.8Å; K26-Y56 VanDerWaalsContact C-CD1 3.48Å; K26-Y56 VanDerWaalsContact C-CE1 3.44Å; K26-Y56 WeakPolarHBondContact O-CD1 3.38Å; I28-Y56 HydrophobicContact CG1-CD2 3.86Å; I28-Y56 HydrophobicContact CG1-CE2 3.72Å; Y56-V168 HydrophobicContact CE1-CB 4.42Å; Y56-V168 WeakPolarHBondContact OH-CB 3.34Å; Y56-V168 VanDerWaalsContact OH-CG2 3.3Å; Y56-V168 WeakPolarHBondContact OH-CG2 3.26Å; Y56-V168 PolarHBondContact OH-N 2.99Å
57	P	92	Very high	89.6	Confident	44 Å²	44	58.5 Å²	58.5	29%	0.286	31%	0.31	S	S	.	.	S	Bend	cis	-61.7	167.1	-6.3	-21.6	34.8	0	0	0	113.8	V168 E170	P57-V168 HydrophobicContact CB-CB 3.98Å; P57-V168 HydrophobicContact CB-CG1 3.89Å; P57-V168 VanDerWaalsContact CB-O 3.29Å; P57-V168 WeakPolarHBondContact CB-O 3.43Å; P57-V168 HydrophobicContact CG-CB 4.22Å; P57-V168 HydrophobicContact CG-CG1 3.89Å; P57-E170 HydrophobicContact CB-CB 4.09Å
58	V	87.9	Confident	89.6	Confident	12 Å²	12	59.1 Å²	59.1	7%	0.073	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-99.6	129	-179.9	179.5	0	0	0	0	109.9	I28 V47 I60 F64 V168 I169 E170	I28-V58 HydrophobicContact CD1-CG2 3.89Å; V47-V58 HydrophobicContact CB-CG2 4.32Å; V47-V58 HydrophobicContact CG1-CG1 3.89Å; V47-V58 HydrophobicContact CG1-CG2 4.11Å; V58-I60 HydrophobicContact CB-CG2 4.47Å; V58-I60 HydrophobicContact CG1-CG2 4.06Å; V58-I60 PolarHBondContact O-N 2.81Å; V58-F64 HydrophobicContact CG1-CB 4.49Å; V58-F64 HydrophobicContact CG1-CG 4.42Å; V58-V168 PolarHBondContact N-O 3.28Å; V58-I169 WeakPolarHBondContact O-CA 3.28Å; V58-E170 PolarHBondContact O-N 3.28Å; V58-E170 VanDerWaalsContact O-N 3.08Å
59	N	86.6	Confident	89.7	Confident	28 Å²	28	60.2 Å²	60.2	15%	0.15	32%	0.319	C	S	.	.			trans	-78.9	85.9	171.4	-164.4	-32.5	0	0	0	111.2	R61 K62 E170	N59-R61 PolarHBondContact O-N 3.42Å; N59-R61 WeakPolarHBondContact OD1-CA 3.48Å; N59-R61 VanDerWaalsContact OD1-CB 3.24Å; N59-R61 WeakPolarHBondContact OD1-CB 2.95Å; N59-R61 PolarHBondContact OD1-N 3.01Å; N59-K62 PolarHBondContact O-N 2.91Å; N59-E170 HydrophobicContact CB-CB 3.94Å; N59-E170 HydrophobicContact CB-CG 4.49Å
60	I	83.9	Confident	89.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.9	177.8	66.3	166.7	0	0	0	113.9	V58 K62 F64 F131 I139 Y144 I169	V58-I60 HydrophobicContact CB-CG2 4.47Å; V58-I60 HydrophobicContact CG1-CG2 4.06Å; V58-I60 PolarHBondContact O-N 2.81Å; I60-K62 PolarHBondContact O-N 3.01Å; I60-F64 HydrophobicContact CB-CD1 4.49Å; I60-F64 HydrophobicContact CB-CE1 3.94Å; I60-F64 HydrophobicContact CG2-CD1 4.42Å; I60-F64 HydrophobicContact CG2-CE1 3.91Å; I60-F64 HydrophobicContact CG2-CZ 4.33Å; I60-F131 HydrophobicContact CB-CD2 4.02Å; I60-F131 HydrophobicContact CB-CE2 4Å; I60-F131 HydrophobicContact CD1-CD2 4.49Å; I60-F131 HydrophobicContact CD1-CE2 4.4Å; I60-F131 HydrophobicContact CG2-CE2 4.41Å; I60-F131 WeakPolarHBondContact O-CD2 3.3Å; I60-I139 HydrophobicContact CD1-CD1 3.59Å; I60-Y144 HydrophobicContact CD1-CD1 3.89Å; I60-Y144 HydrophobicContact CD1-CD2 4.18Å; I60-Y144 HydrophobicContact CD1-CE1 4.3Å; I60-Y144 HydrophobicContact CD1-CG 3.81Å; I60-Y144 HydrophobicContact CG2-CD1 4.4Å; I60-Y144 HydrophobicContact CG2-CE1 3.74Å; I60-Y144 HydrophobicContact CG2-CE2 4.08Å; I60-I169 HydrophobicContact CD1-CD1 3.74Å; I60-I169 HydrophobicContact CD1-CG1 3.95Å; I60-I169 HydrophobicContact CG1-CD1 4.04Å; I60-I169 HydrophobicContact CG1-CG1 4.01Å; I60-I169 HydrophobicContact CG1-CG2 4.32Å
61	R	82.6	Confident	90.2	Very high	100 Å²	100	54 Å²	54	38%	0.377	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.2	173.3	-48.6	-177.8	174.5	-88.8	-6.4	112	N59 T136 I139	N59-R61 PolarHBondContact O-N 3.42Å; N59-R61 WeakPolarHBondContact OD1-CA 3.48Å; N59-R61 VanDerWaalsContact OD1-CB 3.24Å; N59-R61 WeakPolarHBondContact OD1-CB 2.95Å; N59-R61 PolarHBondContact OD1-N 3.01Å; R61-T136 PolarHBondContact NH1-O 2.86Å; R61-T136 PolarHBondContact NH2-O 2.93Å; R61-I139 PolarHBondContact NH2-O 3.25Å; R61-I139 VanDerWaalsContact NH2-O 3.16Å
62	K	86.3	Confident	90.4	Very high	128 Å²	128	48.5 Å²	48.5	56%	0.557	25%	0.251	S	S	*	.	S	Bend	trans	-112	157.4	175	-64.1	-178.5	-178.5	178.1	0	109.5	N59 I60 F64	N59-K62 PolarHBondContact O-N 2.91Å; I60-K62 PolarHBondContact O-N 3.01Å; K62-F64 WeakPolarHBondContact O-CD1 3.5Å; K62-F64 PolarHBondContact O-N 2.99Å
63	P	87.6	Confident	90.6	Very high	67 Å²	67	51.8 Å²	51.8	44%	0.435	26%	0.257	S	S	.	.			trans	-56.4	138.8	170.2	-23.5	34	0	0	0	111.5	L128 V129 A130	P63-L128 HydrophobicContact CB-CD1 4.13Å; P63-V129 VanDerWaalsContact CA-O 3.29Å; P63-V129 WeakPolarHBondContact CA-O 3.5Å; P63-A130 HydrophobicContact CB-CB 4.2Å; P63-A130 HydrophobicContact CG-CB 4.1Å
64	F	88.3	Confident	90.6	Very high	14 Å²	14	48.3 Å²	48.3	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.2	176.6	58.9	-91.3	0	0	0	109.9	V47 T48 V58 I60 K62 V66 V129 F131	V47-F64 HydrophobicContact CG1-CB 4.09Å; V47-F64 HydrophobicContact CG1-CD2 3.58Å; V47-F64 HydrophobicContact CG1-CE2 4.36Å; V47-F64 HydrophobicContact CG1-CG 4.12Å; T48-F64 CarbonylContact O-C 3.44Å; T48-F64 WeakPolarHBondContact O-CA 3.39Å; T48-F64 WeakPolarHBondContact O-CB 3.37Å; V58-F64 HydrophobicContact CG1-CB 4.49Å; V58-F64 HydrophobicContact CG1-CG 4.42Å; I60-F64 HydrophobicContact CB-CD1 4.49Å; I60-F64 HydrophobicContact CB-CE1 3.94Å; I60-F64 HydrophobicContact CG2-CD1 4.42Å; I60-F64 HydrophobicContact CG2-CE1 3.91Å; I60-F64 HydrophobicContact CG2-CZ 4.33Å; K62-F64 WeakPolarHBondContact O-CD1 3.5Å; K62-F64 PolarHBondContact O-N 2.99Å; F64-V66 HydrophobicContact CD2-CG2 3.82Å; F64-V66 HydrophobicContact CE2-CG2 3.61Å; F64-V129 HydrophobicContact CD2-CB 4.15Å; F64-V129 HydrophobicContact CE1-CB 4.29Å; F64-V129 HydrophobicContact CE1-CG1 4.08Å; F64-V129 HydrophobicContact CE2-CB 3.69Å; F64-V129 HydrophobicContact CE2-CG1 3.96Å; F64-V129 HydrophobicContact CE2-CG2 4.18Å; F64-V129 HydrophobicContact CZ-CB 3.76Å; F64-V129 HydrophobicContact CZ-CG1 3.54Å; F64-V129 PolarHBondContact N-O 3.14Å; F64-V129 PolarHBondContact O-N 3.15Å; F64-F131 AromaticContact CE1-CD2 3.92Å; F64-F131 HydrophobicContact CE1-CD2 3.92Å; F64-F131 AromaticContact CE1-CE2 3.57Å; F64-F131 HydrophobicContact CE1-CE2 3.57Å; F64-F131 HydrophobicContact CE1-CZ 4.4Å; F64-F131 HydrophobicContact CZ-CD2 4.34Å; F64-F131 AromaticContact CZ-CE2 3.55Å; F64-F131 HydrophobicContact CZ-CE2 3.55Å; F64-F131 AromaticContact CZ-CZ 3.99Å; F64-F131 HydrophobicContact CZ-CZ 3.99Å
65	T	91	Very high	90.7	Very high	28 Å²	28	48.8 Å²	48.8	17%	0.172	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130	179.6	-55.4	0	0	0	0	109.7	V47 T48 H67 T126 M127	V47-T65 CarbonylContact C-O 3.44Å; V47-T65 WeakPolarHBondContact CA-O 3.3Å; T48-T65 PolarHBondContact N-O 2.83Å; T48-T65 PolarHBondContact O-N 2.94Å; T48-T65 WeakPolarHBondContact OG1-CB 3.19Å; T65-H67 VanDerWaalsContact CG2-CE1 3.49Å; T65-H67 WeakPolarHBondContact CG2-CE1 3.47Å; T65-T126 HydrophobicContact CG2-CG2 3.43Å; T65-T126 VanDerWaalsContact CG2-CG2 3.43Å; T65-M127 WeakPolarHBondContact CA-O 3.45Å
66	V	90.5	Very high	90.9	Very high	10 Å²	10	46 Å²	46	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.7	173.3	-172.8	0	0	0	0	108.5	L45 V47 F64 I68 T126 M127 V129	L45-V66 HydrophobicContact CD1-CG1 4.07Å; L45-V66 HydrophobicContact CD2-CG1 4.12Å; L45-V66 HydrophobicContact CG-CG1 3.93Å; V47-V66 HydrophobicContact CG2-CG2 4.38Å; F64-V66 HydrophobicContact CD2-CG2 3.82Å; F64-V66 HydrophobicContact CE2-CG2 3.61Å; V66-I68 HydrophobicContact CG1-CD1 4.04Å; V66-I68 HydrophobicContact CG1-CG1 3.74Å; V66-T126 WeakPolarHBondContact O-CA 3.16Å; V66-M127 HydrophobicContact CB-CG 3.83Å; V66-M127 PolarHBondContact N-O 2.85Å; V66-M127 PolarHBondContact O-N 3.13Å; V66-V129 HydrophobicContact CG2-CG2 3.9Å
67	H	92.7	Very high	91	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.269	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.1	173.5	-51.4	-82.2	0	0	0	108.7	L45 T46 T48 T65 I125 T126	L45-H67 VanDerWaalsContact CA-O 3.3Å; L45-H67 WeakPolarHBondContact CA-O 3.4Å; T46-H67 PolarHBondContact N-O 2.88Å; T46-H67 PolarHBondContact O-N 2.84Å; T48-H67 PolarHBondContact OG1-NE2 3.47Å; T65-H67 VanDerWaalsContact CG2-CE1 3.49Å; T65-H67 WeakPolarHBondContact CG2-CE1 3.47Å; H67-I125 WeakPolarHBondContact CA-O 3.49Å; H67-T126 WeakPolarHBondContact ND1-CG2 3.43Å; H67-T126 PolarHBondContact ND1-OG1 3.3Å; H67-T126 VanDerWaalsContact ND1-OG1 3.12Å
68	I	92.5	Very high	91	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.108	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.1	-175.7	-49.3	178.5	0	0	0	108.3	V42 N44 L45 V66 V70 K124 I125 M127	V42-I68 HydrophobicContact CG1-CG2 3.95Å; V42-I68 HydrophobicContact CG2-CG2 4.21Å; N44-I68 WeakPolarHBondContact O-CA 3.45Å; L45-I68 HydrophobicContact CD1-CD1 4.38Å; L45-I68 HydrophobicContact CD1-CG1 4.18Å; L45-I68 HydrophobicContact CG-CG1 4.31Å; V66-I68 HydrophobicContact CG1-CD1 4.04Å; V66-I68 HydrophobicContact CG1-CG1 3.74Å; I68-V70 HydrophobicContact CG2-CB 4.45Å; I68-K124 WeakPolarHBondContact O-CA 3.2Å; I68-I125 HydrophobicContact CB-CB 4.39Å; I68-I125 PolarHBondContact N-O 2.95Å; I68-I125 PolarHBondContact O-N 3.34Å; I68-M127 HydrophobicContact CD1-SD 4.28Å
69	V	94.8	Very high	91.1	Very high	38 Å²	38	48.2 Å²	48.2	23%	0.23	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.9	166.2	-174.2	0	0	0	0	107.2	L43 N44 I122 N123 K124	L43-V69 HydrophobicContact CB-CB 4.46Å; L43-V69 HydrophobicContact CB-CG1 4.31Å; L43-V69 HydrophobicContact CD1-CG1 4.34Å; L43-V69 PolarHBondContact N-O 2.86Å; N44-V69 HydrophobicContact CB-CB 4.02Å; N44-V69 HydrophobicContact CB-CG2 4.07Å; N44-V69 PolarHBondContact N-O 2.89Å; N44-V69 PolarHBondContact O-N 2.83Å; V69-I122 HydrophobicContact CG1-CG2 3.72Å; V69-N123 WeakPolarHBondContact CA-O 3.41Å; V69-K124 HydrophobicContact CG2-CG 4.42Å
70	V	93.2	Very high	91.2	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.8	-174.3	65.2	0	0	0	0	110.5	F40 C41 I68 N123 I125	F40-V70 HydrophobicContact CB-CG2 3.55Å; F40-V70 HydrophobicContact CD2-CG2 4.05Å; F40-V70 HydrophobicContact CG-CG2 3.84Å; C41-V70 CarbonylContact O-C 3.54Å; C41-V70 WeakPolarHBondContact O-CA 3.48Å; I68-V70 HydrophobicContact CG2-CB 4.45Å; V70-N123 HydrophobicContact CG1-CB 3.98Å; V70-N123 PolarHBondContact N-O 3.31Å; V70-N123 PolarHBondContact O-N 2.84Å; V70-I125 HydrophobicContact CG1-CD1 3.88Å; V70-I125 HydrophobicContact CG1-CG1 4.43Å
71	A	95.4	Very high	91.4	Very high	10 Å²	10	49.7 Å²	49.7	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.9	168.1	0	0	0	0	0	109.1	F40 C41 L43 G121 I122	F40-A71 WeakPolarHBondContact CA-O 3.44Å; C41-A71 HydrophobicContact CB-CB 4.36Å; C41-A71 PolarHBondContact N-O 2.88Å; C41-A71 PolarHBondContact O-N 2.84Å; L43-A71 HydrophobicContact CD1-CB 4.12Å; L43-A71 HydrophobicContact CD2-CB 4.26Å; L43-A71 HydrophobicContact CG-CB 4.2Å; A71-G121 CarbonylContact C-O 3.58Å; A71-G121 WeakPolarHBondContact CA-O 3.48Å; A71-I122 HydrophobicContact CB-CD1 3.6Å
72	N	95.3	Very high	91.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.011	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108.6	170.3	178.4	9	0	0	0	109.4	F40 G74 N75 L118 L119 P120 G121	F40-N72 HydrophobicContact CD1-CB 3.86Å; F40-N72 HydrophobicContact CE1-CB 3.66Å; F40-N72 VanDerWaalsContact CE1-OD1 3.32Å; F40-N72 WeakPolarHBondContact CE1-OD1 3.42Å; N72-G74 WeakPolarHBondContact OD1-CA 3.33Å; N72-G74 PolarHBondContact OD1-N 3.25Å; N72-N75 PolarHBondContact ND2-O 2.79Å; N72-L118 PolarHBondContact ND2-O 3.18Å; N72-L119 WeakPolarHBondContact CB-O 3.46Å; N72-L119 PolarHBondContact ND2-O 2.74Å; N72-P120 WeakPolarHBondContact O-CA 3.35Å; N72-G121 PolarHBondContact N-O 3.02Å; N72-G121 PolarHBondContact O-N 2.79Å
73	N	95.1	Very high	91.7	Very high	121 Å²	121	42.2 Å²	42.2	65%	0.647	24%	0.239	S	C	*	.			trans	-92.7	1.9	177.3	-61	-49.8	0	0	0	113.2	I39	I39-N73 PolarHBondContact O-N 3.43Å
74	G	93.6	Very high	91.6	Very high	24 Å²	24	39.5 Å²	39.5	25%	0.247	22%	0.224	C	C	.	.	S	Bend	trans	-108.6	-151.9	179.5	0	0	0	0	0	112.7	N72 P120	N72-G74 WeakPolarHBondContact OD1-CA 3.33Å; N72-G74 PolarHBondContact OD1-N 3.25Å; G74-P120 WeakPolarHBondContact O-CG 3.4Å
75	N	93.8	Very high	91.5	Very high	144 Å²	144	41.1 Å²	41.1	77%	0.77	23%	0.233	S	C	*	.	S	Bend	trans	-78.6	167.9	177.3	-64.9	-38.3	0	0	0	111.6	N72 V77	N72-N75 PolarHBondContact ND2-O 2.79Å; N75-V77 PolarHBondContact O-N 3.19Å
76	T	95	Very high	91.3	Very high	54 Å²	54	39.8 Å²	39.8	33%	0.331	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-57.3	125.6	170.8	-60.2	0	0	0	0	110.9	P117 L118 L119 P120	T76-P117 HydrophobicContact CG2-CB 3.86Å; T76-L118 WeakPolarHBondContact CA-O 3.38Å; T76-L119 HydrophobicContact CG2-CD2 3.79Å; T76-P120 WeakPolarHBondContact OG1-CD 3.39Å
77	V	92.6	Very high	91.2	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-99.5	117.5	174.3	177.7	0	0	0	0	108.7	F40 N75 N79 C116 P117 L118 L160	F40-V77 HydrophobicContact CE1-CG2 3.88Å; F40-V77 HydrophobicContact CZ-CB 4.03Å; F40-V77 HydrophobicContact CZ-CG1 4.5Å; F40-V77 HydrophobicContact CZ-CG2 3.64Å; N75-V77 PolarHBondContact O-N 3.19Å; V77-N79 WeakPolarHBondContact CG1-O 3.41Å; V77-C116 PolarHBondContact O-SG 2.79Å; V77-P117 CarbonylContact O-C 3.58Å; V77-P117 WeakPolarHBondContact O-CA 3.29Å; V77-L118 HydrophobicContact CB-CB 4.32Å; V77-L118 PolarHBondContact N-O 2.84Å; V77-L118 PolarHBondContact O-N 3.18Å; V77-L160 HydrophobicContact CG1-CD1 3.86Å; V77-L160 HydrophobicContact CG2-CD1 4.01Å; V77-L160 HydrophobicContact CG2-CD2 3.79Å
78	N	91.7	Very high	91	Very high	100 Å²	100	37.6 Å²	37.6	54%	0.535	21%	0.214	S	C	.	.	S	Bend	trans	-95.3	-23.1	-179.5	-64.9	-58.2	0	0	0	112.8	C116 P117	N78-C116 VanDerWaalsContact C-SG 3.51Å; N78-C116 WeakPolarHBondContact O-CB 3.46Å; N78-C116 PolarHBondContact O-SG 2.98Å; N78-P117 WeakPolarHBondContact OD1-CB 3.15Å
79	N	90.7	Very high	90.9	Very high	56 Å²	56	38.9 Å²	38.9	30%	0.299	22%	0.218	S	C	.	.			trans	-142.2	147.3	179	-169.6	15.8	0	0	0	109.1	V77 G153	V77-N79 WeakPolarHBondContact CG1-O 3.41Å; N79-G153 PolarHBondContact O-N 3.1Å
80	M	88.7	Confident	90.5	Very high	19 Å²	19	38.6 Å²	38.6	9%	0.094	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.7	-175.3	-172.5	171.3	67.9	0	0	108.7	F40 A112 C113 L118 A150 R151 L160	F40-M80 HydrophobicContact CE2-SD 4.17Å; M80-A112 CarbonylContact O-C 3.6Å; M80-C113 HydrophobicContact CB-CB 3.72Å; M80-L118 HydrophobicContact SD-CD1 4.48Å; M80-A150 HydrophobicContact CG-CB 4.29Å; M80-A150 HydrophobicContact SD-CB 3.87Å; M80-R151 WeakPolarHBondContact CA-O 3.4Å; M80-R151 WeakPolarHBondContact CG-O 3.22Å; M80-L160 HydrophobicContact CG-CD1 4.1Å; M80-L160 HydrophobicContact SD-CD1 4.27Å
81	L	89.1	Confident	90.1	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.5	169.1	-61.3	170.7	0	0	0	107.1	K111 A150 R151 P156	L81-K111 HydrophobicContact CD2-CB 4.2Å; L81-K111 HydrophobicContact CD2-CG 3.97Å; L81-A150 CarbonylContact O-C 3.57Å; L81-A150 WeakPolarHBondContact O-CA 3.29Å; L81-R151 PolarHBondContact N-O 3.42Å; L81-R151 PolarHBondContact O-N 3.26Å; L81-P156 HydrophobicContact CD1-CB 3.95Å; L81-P156 HydrophobicContact CD1-CG 3.95Å
82	S	86.9	Confident	89.4	Confident	18 Å²	18	45 Å²	45	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.9	174.8	-60.4	0	0	0	0	109.8	N109 M110 V149	S82-N109 CarbonylContact O-C 3.08Å; S82-N109 WeakPolarHBondContact O-CA 3.29Å; S82-M110 PolarHBondContact N-O 2.79Å; S82-M110 PolarHBondContact O-N 3.33Å; S82-V149 VanDerWaalsContact CA-O 3.3Å; S82-V149 WeakPolarHBondContact CA-O 3.47Å
83	D	86.3	Confident	88.7	Confident	53 Å²	53	50.8 Å²	50.8	28%	0.283	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.4	176.7	-59.9	-59.6	0	0	0	108.6	N109 V148 V149	D83-N109 PolarHBondContact OD1-OD1 3.22Å; D83-N109 VanDerWaalsContact OD1-OD1 3.1Å; D83-V148 WeakPolarHBondContact O-CA 3.37Å; D83-V149 PolarHBondContact N-O 3.42Å; D83-V149 PolarHBondContact O-N 2.91Å
84	G	85.8	Confident	88	Confident	11 Å²	11	55 Å²	55	11%	0.113	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.2	-179.4	0	0	0	0	0	113.7	L108 E147	G84-L108 PolarHBondContact N-O 3.08Å; G84-L108 WeakPolarHBondContact O-CB 3.44Å; G84-E147 CarbonylContact C-O 3.58Å; G84-E147 VanDerWaalsContact CA-O 3.22Å; G84-E147 WeakPolarHBondContact CA-O 3.35Å
85	D	87.2	Confident	87.6	Confident	47 Å²	47	58.9 Å²	58.9	25%	0.251	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.2	163.7	-173.2	-122.6	0	0	0	109.1	Q87 S101 V146 E147	D85-Q87 WeakPolarHBondContact OD1-CG 3.36Å; D85-Q87 PolarHBondContact OD1-NE2 3.28Å; D85-S101 WeakPolarHBondContact OD1-CB 3.38Å; D85-S101 PolarHBondContact OD1-OG 3.31Å; D85-V146 CarbonylContact O-C 3.45Å; D85-V146 VanDerWaalsContact O-CA 3.3Å; D85-V146 WeakPolarHBondContact O-CA 3.36Å; D85-E147 HydrophobicContact CB-CB 4.46Å; D85-E147 PolarHBondContact N-O 3.36Å; D85-E147 PolarHBondContact O-N 2.75Å
86	I	86.3	Confident	87.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138	175.7	-171.2	165.6	0	0	0	109.9	S101 L102 T104 L108 F131 L135 I139 A145 V146	I86-S101 WeakPolarHBondContact O-CA 3.44Å; I86-L102 HydrophobicContact CG2-CB 3.89Å; I86-L102 HydrophobicContact CG2-CD1 4.4Å; I86-L102 PolarHBondContact O-N 2.99Å; I86-T104 HydrophobicContact CB-CG2 4.34Å; I86-T104 HydrophobicContact CG2-CG2 3.43Å; I86-T104 VanDerWaalsContact CG2-CG2 3.43Å; I86-L108 HydrophobicContact CB-CD1 4.31Å; I86-F131 HydrophobicContact CD1-CZ 4.49Å; I86-L135 HydrophobicContact CD1-CD2 4.15Å; I86-L135 HydrophobicContact CG2-CD1 3.71Å; I86-L135 HydrophobicContact CG2-CD2 3.86Å; I86-L135 HydrophobicContact CG2-CG 4.09Å; I86-I139 HydrophobicContact CD1-CD1 3.74Å; I86-A145 CarbonylContact C-O 3.6Å; I86-A145 WeakPolarHBondContact CA-O 3.16Å; I86-V146 HydrophobicContact CD1-CG2 4.32Å; I86-V146 HydrophobicContact CG1-CG2 4.16Å
87	Q	89.3	Confident	87.1	Confident	23 Å²	23	56 Å²	56	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.7	-178.2	-64.4	167.4	18	0	0	109.7	D85 W99 R100 S101 Y144 A145	D85-Q87 WeakPolarHBondContact OD1-CG 3.36Å; D85-Q87 PolarHBondContact OD1-NE2 3.28Å; Q87-W99 HydrophobicContact CB-CB 4.48Å; Q87-W99 HydrophobicContact CB-CE3 4.34Å; Q87-R100 CarbonylContact C-O 3.56Å; Q87-R100 WeakPolarHBondContact CA-O 3.48Å; Q87-R100 WeakPolarHBondContact CB-O 3.31Å; Q87-S101 WeakPolarHBondContact CG-OG 3.21Å; Q87-Y144 CarbonylContact O-C 3.51Å; Q87-Y144 VanDerWaalsContact O-CA 3.26Å; Q87-Y144 WeakPolarHBondContact O-CA 3.4Å; Q87-A145 HydrophobicContact CB-CB 4.24Å; Q87-A145 PolarHBondContact N-O 3.38Å; Q87-A145 PolarHBondContact O-N 3.16Å
88	T	88.2	Confident	87	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145	173	176.8	0	0	0	0	109.1	M90 R100 L102 A143	T88-M90 HydrophobicContact CG2-CE 3.27Å; T88-M90 HydrophobicContact CG2-CG 4.08Å; T88-M90 HydrophobicContact CG2-SD 3.87Å; T88-M90 PolarHBondContact O-N 3.28Å; T88-R100 PolarHBondContact N-O 3.46Å; T88-R100 PolarHBondContact O-N 2.03Å; T88-L102 HydrophobicContact CG2-CD1 4.13Å; T88-L102 HydrophobicContact CG2-CD2 3.72Å; T88-L102 HydrophobicContact CG2-CG 3.92Å; T88-A143 WeakPolarHBondContact CA-O 3.44Å
89	Y	90.4	Very high	87	Confident	47 Å²	47	55.5 Å²	55.5	18%	0.184	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.3	175.8	-163.2	-113.8	0	0	0	109.4	C18 P19 P21 C97 W99 Q141 A143	C18-Y89 HydrophobicContact CB-CD1 3.75Å; C18-Y89 HydrophobicContact CB-CE1 3.95Å; P19-Y89 WeakPolarHBondContact O-CE1 3.38Å; P21-Y89 HydrophobicContact CG-CD1 3.75Å; P21-Y89 HydrophobicContact CG-CD2 4.1Å; P21-Y89 HydrophobicContact CG-CE1 3.85Å; P21-Y89 HydrophobicContact CG-CE2 4.22Å; P21-Y89 HydrophobicContact CG-CG 3.88Å; Y89-C97 HydrophobicContact CD1-CB 4.31Å; Y89-C97 HydrophobicContact CE1-CB 3.53Å; Y89-C97 HydrophobicContact CE2-CB 4.4Å; Y89-C97 WeakPolarHBondContact OH-CB 3.41Å; Y89-C97 PolarHBondContact OH-O 3.34Å; Y89-W99 AromaticContact CD2-CD2 3.78Å; Y89-W99 HydrophobicContact CD2-CD2 3.78Å; Y89-W99 AromaticContact CD2-CE2 3.93Å; Y89-W99 HydrophobicContact CD2-CE3 4.11Å; Y89-W99 HydrophobicContact CD2-CG 4.1Å; Y89-W99 HydrophobicContact CD2-CZ2 4.39Å; Y89-W99 HydrophobicContact CG-CE3 4.45Å; Y89-Q141 WeakPolarHBondContact O-CB 3.48Å; Y89-Q141 VanDerWaalsContact O-CD 3.29Å; Y89-A143 PolarHBondContact N-O 3.08Å; Y89-A143 VanDerWaalsContact N-O 3.08Å
90	M	86.5	Confident	86.8	Confident	33 Å²	33	58.2 Å²	58.2	16%	0.163	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.3	-177.2	58.9	173.3	50.2	0	0	113.2	C18 T88 S98 R100 L140 Q141	C18-M90 VanDerWaalsContact SG-CA 3.6Å; T88-M90 HydrophobicContact CG2-CE 3.27Å; T88-M90 HydrophobicContact CG2-CG 4.08Å; T88-M90 HydrophobicContact CG2-SD 3.87Å; T88-M90 PolarHBondContact O-N 3.28Å; M90-S98 PolarHBondContact N-O 2.83Å; M90-S98 PolarHBondContact O-N 3.36Å; M90-S98 VanDerWaalsContact O-O 3.06Å; M90-R100 HydrophobicContact CG-CB 4.16Å; M90-R100 HydrophobicContact CG-CG 3.87Å; M90-L140 HydrophobicContact CE-CB 4.46Å; M90-Q141 HydrophobicContact CB-CG 4.15Å
91	N	85	Confident	86.7	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	31%	0.305	C	S	.	.			trans	-97.9	150.1	165.5	55.7	-17.2	0	0	0	109.3	A16 C18 F95	A16-N91 PolarHBondContact O-ND2 2.76Å; A16-N91 PolarHBondContact O-OD1 2.8Å; C18-N91 PolarHBondContact SG-N 3.35Å; N91-F95 VanDerWaalsContact CB-O 3.25Å; N91-F95 WeakPolarHBondContact CB-O 3.3Å
92	L	80.3	Confident	86.4	Confident	106 Å²	106	59.5 Å²	59.5	56%	0.555	30%	0.299	S	S	*	.			trans	-114.7	117.2	168.2	-170	73.8	0	0	0	107.3	W94 F95	L92-W94 PolarHBondContact O-N 2.77Å; L92-W94 VanDerWaalsContact O-N 3.13Å; L92-F95 WeakPolarHBondContact O-CB 3.39Å; L92-F95 WeakPolarHBondContact O-CD2 3.44Å; L92-F95 PolarHBondContact O-N 2.91Å
93	L	80.6	Confident	85.7	Confident	123 Å²	123	61.8 Å²	61.8	64%	0.644	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-116.8	-177	-56.9	129.9	0	0	0	111.1
94	W	79.8	Confident	84.9	Confident	209 Å²	209	60 Å²	60	79%	0.792	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	4.1	-179.8	52.2	77.4	0	0	0	113.8	L92	L92-W94 PolarHBondContact O-N 2.77Å; L92-W94 VanDerWaalsContact O-N 3.13Å
95	F	85.5	Confident	83.7	Confident	105 Å²	105	67.7 Å²	67.7	46%	0.461	34%	0.335	S	S	.	.	S	Bend	trans	-75.2	148.7	177.5	-71	-74	0	0	0	111.8	N91 L92	N91-F95 VanDerWaalsContact CB-O 3.25Å; N91-F95 WeakPolarHBondContact CB-O 3.3Å; L92-F95 WeakPolarHBondContact O-CB 3.39Å; L92-F95 WeakPolarHBondContact O-CD2 3.44Å; L92-F95 PolarHBondContact O-N 2.91Å
96	P	88.1	Confident	82.5	Confident	102 Å²	102	67.1 Å²	67.1	66%	0.662	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-57	150.6	175.3	-24.4	33.8	0	0	0	113.3	S98	P96-S98 PolarHBondContact O-N 3.08Å; P96-S98 PolarHBondContact O-OG 3.25Å; P96-S98 VanDerWaalsContact O-OG 3.14Å
97	C	89.3	Confident	81.3	Confident	35 Å²	35	71 Å²	71	24%	0.236	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-58.4	129.3	173.7	-65.8	0	0	0	0	111.2	C18 Y89	C18-C97 WeakPolarHBondContact CA-SG 3.48Å; C18-C97 HydrophobicContact CB-CB 3.74Å; C18-C97 WeakPolarHBondContact CB-SG 3.38Å; C18-C97 WeakPolarHBondContact SG-CB 3.46Å; C18-C97 CovalentContact SG-SG 2.03Å; C18-C97 PolarHBondContact SG-SG 2.88Å; Y89-C97 HydrophobicContact CD1-CB 4.31Å; Y89-C97 HydrophobicContact CE1-CB 3.53Å; Y89-C97 HydrophobicContact CE2-CB 4.4Å; Y89-C97 WeakPolarHBondContact OH-CB 3.41Å; Y89-C97 PolarHBondContact OH-O 3.34Å
98	S	90.7	Very high	80.1	Confident	31 Å²	31	71.4 Å²	71.4	22%	0.217	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.9	-175.2	36.3	0	0	0	0	110.4	M90 P96 R100	M90-S98 PolarHBondContact N-O 2.83Å; M90-S98 PolarHBondContact O-N 3.36Å; M90-S98 VanDerWaalsContact O-O 3.06Å; P96-S98 PolarHBondContact O-N 3.08Å; P96-S98 PolarHBondContact O-OG 3.25Å; P96-S98 VanDerWaalsContact O-OG 3.14Å; S98-R100 PolarHBondContact O-N 2.79Å; S98-R100 PolarHBondContact OG-NE 2.9Å; S98-R100 PolarHBondContact OG-NH2 3.46Å
99	W	91.4	Very high	78.9	Confident	64 Å²	64	75.2 Å²	75.2	24%	0.242	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.1	170	-65.5	116	0	0	0	109.8	P21 I24 Q87 Y89 A143 Y144 A145 R164 E166	P21-W99 HydrophobicContact CG-CZ2 4.08Å; I24-W99 HydrophobicContact CD1-CH2 3.89Å; I24-W99 HydrophobicContact CD1-CZ2 4.24Å; Q87-W99 HydrophobicContact CB-CB 4.48Å; Q87-W99 HydrophobicContact CB-CE3 4.34Å; Y89-W99 AromaticContact CD2-CD2 3.78Å; Y89-W99 HydrophobicContact CD2-CD2 3.78Å; Y89-W99 AromaticContact CD2-CE2 3.93Å; Y89-W99 HydrophobicContact CD2-CE3 4.11Å; Y89-W99 HydrophobicContact CD2-CG 4.1Å; Y89-W99 HydrophobicContact CD2-CZ2 4.39Å; Y89-W99 HydrophobicContact CG-CE3 4.45Å; W99-A143 HydrophobicContact CH2-CB 4.24Å; W99-A143 HydrophobicContact CZ3-CB 4.46Å; W99-Y144 VanDerWaalsContact CZ3-C 3.42Å; W99-A145 HydrophobicContact CD2-CB 4.32Å; W99-A145 HydrophobicContact CE3-CB 3.91Å; W99-A145 HydrophobicContact CH2-CB 4.09Å; W99-A145 HydrophobicContact CZ2-CB 4.47Å; W99-A145 HydrophobicContact CZ3-CB 3.79Å; W99-R164 VanDerWaalsContact CD1-NH2 3.3Å; W99-R164 VanDerWaalsContact CD2-NH2 3.28Å; W99-E166 HydrophobicContact CH2-CB 4.41Å; W99-E166 HydrophobicContact CZ2-CB 4.33Å; W99-E166 HydrophobicContact CZ2-CG 4.18Å; W99-E166 PolarHBondContact NE1-OE1 2.73Å
100	R	87.9	Confident	77.7	Confident	113 Å²	113	77.3 Å²	77.3	43%	0.426	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.2	180	-60	-62.2	175.8	169.4	-0.6	109.5	Q87 T88 M90 S98	Q87-R100 CarbonylContact C-O 3.56Å; Q87-R100 WeakPolarHBondContact CA-O 3.48Å; Q87-R100 WeakPolarHBondContact CB-O 3.31Å; T88-R100 PolarHBondContact N-O 3.46Å; T88-R100 PolarHBondContact O-N 2.03Å; M90-R100 HydrophobicContact CG-CB 4.16Å; M90-R100 HydrophobicContact CG-CG 3.87Å; S98-R100 PolarHBondContact O-N 2.79Å; S98-R100 PolarHBondContact OG-NE 2.9Å; S98-R100 PolarHBondContact OG-NH2 3.46Å
101	S	86.7	Confident	76.6	Confident	72 Å²	72	84.4 Å²	84.4	50%	0.503	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.4	175.6	-60.6	0	0	0	0	110.6	D85 I86 Q87	D85-S101 WeakPolarHBondContact OD1-CB 3.38Å; D85-S101 PolarHBondContact OD1-OG 3.31Å; I86-S101 WeakPolarHBondContact O-CA 3.44Å; Q87-S101 WeakPolarHBondContact CG-OG 3.21Å
102	L	81.3	Confident	75.8	Confident	15 Å²	15	85 Å²	85	8%	0.079	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.2	169.6	-64.7	176.9	0	0	0	108.1	I86 T88 T104 L135 E138 I139	I86-L102 HydrophobicContact CG2-CB 3.89Å; I86-L102 HydrophobicContact CG2-CD1 4.4Å; I86-L102 PolarHBondContact O-N 2.99Å; T88-L102 HydrophobicContact CG2-CD1 4.13Å; T88-L102 HydrophobicContact CG2-CD2 3.72Å; T88-L102 HydrophobicContact CG2-CG 3.92Å; L102-T104 PolarHBondContact O-N 3.05Å; L102-L135 HydrophobicContact CB-CD1 4.26Å; L102-E138 HydrophobicContact CD2-CB 4.35Å; L102-I139 HydrophobicContact CD1-CB 4.46Å; L102-I139 HydrophobicContact CD1-CD1 4.44Å; L102-I139 HydrophobicContact CD1-CG1 3.45Å; L102-I139 VanDerWaalsContact CD1-CG1 3.45Å
103	P	73.4	Confident	75.3	Confident	65 Å²	65	81.2 Å²	81.2	42%	0.422	42%	0.419	S	S	.	.			trans	-67.2	103	179.2	29.4	-33.9	0	0	0	109.4	F105	P103-F105 VanDerWaalsContact C-N 3.26Å; P103-F105 HydrophobicContact CB-CD2 4.12Å; P103-F105 HydrophobicContact CB-CE1 4.19Å; P103-F105 HydrophobicContact CB-CE2 3.58Å; P103-F105 HydrophobicContact CB-CZ 3.63Å; P103-F105 HydrophobicContact CG-CE2 3.79Å; P103-F105 HydrophobicContact CG-CZ 3.99Å; P103-F105 WeakPolarHBondContact O-CD2 3.44Å; P103-F105 WeakPolarHBondContact O-CE2 3.41Å
104	T	69.2	Low	75	Confident	16 Å²	16	78 Å²	78	10%	0.098	40%	0.404	C	S	.	.			trans	-78.7	-14.5	177.5	68	0	0	0	0	112.5	I86 L102 G106 L107 L108	I86-T104 HydrophobicContact CB-CG2 4.34Å; I86-T104 HydrophobicContact CG2-CG2 3.43Å; I86-T104 VanDerWaalsContact CG2-CG2 3.43Å; L102-T104 PolarHBondContact O-N 3.05Å; T104-G106 PolarHBondContact O-N 2.64Å; T104-L107 WeakPolarHBondContact O-CB 3.39Å; T104-L107 VanDerWaalsContact O-CD1 3.29Å; T104-L107 WeakPolarHBondContact O-CD1 3.38Å; T104-L107 WeakPolarHBondContact O-CG 3.22Å; T104-L107 PolarHBondContact O-N 2.84Å; T104-L108 HydrophobicContact CG2-CD1 3.93Å; T104-L108 HydrophobicContact CG2-CG 4.32Å
105	F	61.4	Low	74.8	Confident	173 Å²	173	70.5 Å²	70.5	76%	0.759	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	30.4	-176.9	-58	-77.8	0	0	0	113.8	P103 L107	P103-F105 VanDerWaalsContact C-N 3.26Å; P103-F105 HydrophobicContact CB-CD2 4.12Å; P103-F105 HydrophobicContact CB-CE1 4.19Å; P103-F105 HydrophobicContact CB-CE2 3.58Å; P103-F105 HydrophobicContact CB-CZ 3.63Å; P103-F105 HydrophobicContact CG-CE2 3.79Å; P103-F105 HydrophobicContact CG-CZ 3.99Å; P103-F105 WeakPolarHBondContact O-CD2 3.44Å; P103-F105 WeakPolarHBondContact O-CE2 3.41Å; F105-L107 VanDerWaalsContact C-N 3.29Å; F105-L107 PolarHBondContact O-N 2.97Å
106	G	60.4	Low	74.7	Confident	34 Å²	34	67.4 Å²	67.4	35%	0.351	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	11.3	-178.3	0	0	0	0	0	114.7	T104 L108 N109	T104-G106 PolarHBondContact O-N 2.64Å; G106-L108 PolarHBondContact O-N 2.92Å; G106-N109 WeakPolarHBondContact O-CB 3.1Å; G106-N109 VanDerWaalsContact O-CG 3.32Å; G106-N109 PolarHBondContact O-N 3.04Å
107	L	61.3	Low	74.9	Confident	82 Å²	82	65.9 Å²	65.9	43%	0.429	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.1	-179.5	-68.4	163.7	0	0	0	113.7	T104 F105 F132	T104-L107 WeakPolarHBondContact O-CB 3.39Å; T104-L107 VanDerWaalsContact O-CD1 3.29Å; T104-L107 WeakPolarHBondContact O-CD1 3.38Å; T104-L107 WeakPolarHBondContact O-CG 3.22Å; T104-L107 PolarHBondContact O-N 2.84Å; F105-L107 VanDerWaalsContact C-N 3.29Å; F105-L107 PolarHBondContact O-N 2.97Å; L107-F132 HydrophobicContact CB-CD2 4.19Å; L107-F132 HydrophobicContact CB-CE2 4.19Å; L107-F132 HydrophobicContact CD1-CD2 4.19Å; L107-F132 HydrophobicContact CD2-CD2 4.05Å; L107-F132 HydrophobicContact CD2-CE2 3.72Å; L107-F132 HydrophobicContact CD2-CZ 4.26Å; L107-F132 HydrophobicContact CG-CD2 4.39Å; L107-F132 HydrophobicContact CG-CE2 4.41Å
108	L	64	Low	75	Confident	31 Å²	31	64.3 Å²	64.3	16%	0.162	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	19.5	177.6	-59.4	-175.7	0	0	0	112.9	G84 I86 T104 G106 F131	G84-L108 PolarHBondContact N-O 3.08Å; G84-L108 WeakPolarHBondContact O-CB 3.44Å; I86-L108 HydrophobicContact CB-CD1 4.31Å; T104-L108 HydrophobicContact CG2-CD1 3.93Å; T104-L108 HydrophobicContact CG2-CG 4.32Å; G106-L108 PolarHBondContact O-N 2.92Å; L108-F131 HydrophobicContact CD1-CE1 4.4Å; L108-F131 HydrophobicContact CD2-CD1 3.8Å; L108-F131 HydrophobicContact CD2-CE1 3.7Å
109	N	63.5	Low	75.2	Confident	81 Å²	81	67.3 Å²	67.3	43%	0.433	38%	0.375	S	S	.	.			trans	-90.7	108.8	177.3	-61.7	2.8	0	0	0	109.2	S82 D83 G106	S82-N109 CarbonylContact O-C 3.08Å; S82-N109 WeakPolarHBondContact O-CA 3.29Å; D83-N109 PolarHBondContact OD1-OD1 3.22Å; D83-N109 VanDerWaalsContact OD1-OD1 3.1Å; G106-N109 WeakPolarHBondContact O-CB 3.1Å; G106-N109 VanDerWaalsContact O-CG 3.32Å; G106-N109 PolarHBondContact O-N 3.04Å
110	M	65	Low	75.5	Confident	90 Å²	90	68 Å²	68	44%	0.443	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-101.4	116.2	175.7	-70.8	-173.4	146.3	0	0	110.1	S82 M127	S82-M110 PolarHBondContact N-O 2.79Å; S82-M110 PolarHBondContact O-N 3.33Å; M110-M127 HydrophobicContact SD-CE 4.24Å
111	K	64.5	Low	75.9	Confident	182 Å²	182	64.3 Å²	64.3	79%	0.791	38%	0.384	S	S	*	.			trans	-99.4	54.4	174.8	-63.3	-170.9	177.7	-178.2	0	111.4	L81	L81-K111 HydrophobicContact CD2-CB 4.2Å; L81-K111 HydrophobicContact CD2-CG 3.97Å
112	A	66.6	Low	76.4	Confident	57 Å²	57	66 Å²	66	47%	0.471	39%	0.387	S	S	.	.	S	Bend	trans	-159.7	140.1	173.2	0	0	0	0	0	109.3	M80	M80-A112 CarbonylContact O-C 3.6Å
113	C	70.7	Confident	77	Confident	26 Å²	26	66.5 Å²	66.5	18%	0.176	39%	0.389	C	S	.	.			trans	-84.1	118.8	170	-175.8	0	0	0	0	111.1	M80 C116	M80-C113 HydrophobicContact CB-CB 3.72Å; C113-C116 HydrophobicContact CB-CB 3.45Å; C113-C116 VanDerWaalsContact CB-CB 3.45Å; C113-C116 WeakPolarHBondContact CB-SG 3.14Å; C113-C116 WeakPolarHBondContact SG-CB 3.4Å; C113-C116 CovalentContact SG-SG 2Å; C113-C116 PolarHBondContact SG-SG 2.83Å
114	V	74.3	Confident	78	Confident	56 Å²	56	71.5 Å²	71.5	34%	0.339	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	116.8	170.2	-176	0	0	0	0	108.6	I125 T126 M127	V114-I125 HydrophobicContact CB-CG2 4.3Å; V114-I125 HydrophobicContact CG1-CG2 4.28Å; V114-I125 WeakPolarHBondContact O-CG2 3.41Å; V114-T126 WeakPolarHBondContact CG1-O 3.24Å; V114-M127 HydrophobicContact CG1-CB 4.24Å; V114-M127 HydrophobicContact CG2-CB 4.48Å
115	G	75.4	Confident	79	Confident	51 Å²	51	71.3 Å²	71.3	53%	0.526	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	15.6	178.9	0	0	0	0	0	115.3
116	C	83.9	Confident	80.4	Confident	39 Å²	39	66.9 Å²	66.9	26%	0.264	39%	0.39	S	S	.	.			trans	-72.1	151.8	172.5	-89	0	0	0	0	112.9	V77 N78 C113	V77-C116 PolarHBondContact O-SG 2.79Å; N78-C116 VanDerWaalsContact C-SG 3.51Å; N78-C116 WeakPolarHBondContact O-CB 3.46Å; N78-C116 PolarHBondContact O-SG 2.98Å; C113-C116 HydrophobicContact CB-CB 3.45Å; C113-C116 VanDerWaalsContact CB-CB 3.45Å; C113-C116 WeakPolarHBondContact CB-SG 3.14Å; C113-C116 WeakPolarHBondContact SG-CB 3.4Å; C113-C116 CovalentContact SG-SG 2Å; C113-C116 PolarHBondContact SG-SG 2.83Å
117	P	91.1	Very high	81.6	Confident	71 Å²	71	67.6 Å²	67.6	46%	0.461	39%	0.385	S	S	.	.			cis	-75.7	140.8	2.2	31.3	-35.4	0	0	0	113.1	T76 V77 N78 L119	T76-P117 HydrophobicContact CG2-CB 3.86Å; V77-P117 CarbonylContact O-C 3.58Å; V77-P117 WeakPolarHBondContact O-CA 3.29Å; N78-P117 WeakPolarHBondContact OD1-CB 3.15Å; P117-L119 PolarHBondContact O-N 3.06Å
118	L	92.8	Very high	82.8	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-92.4	98.7	172.8	-61.3	173.6	0	0	0	108.7	F40 N72 T76 V77 M80 N123 I125	F40-L118 HydrophobicContact CE2-CD1 3.44Å; F40-L118 VanDerWaalsContact CE2-CD1 3.44Å; F40-L118 HydrophobicContact CZ-CB 4.12Å; F40-L118 HydrophobicContact CZ-CD1 3.59Å; N72-L118 PolarHBondContact ND2-O 3.18Å; T76-L118 WeakPolarHBondContact CA-O 3.38Å; V77-L118 HydrophobicContact CB-CB 4.32Å; V77-L118 PolarHBondContact N-O 2.84Å; V77-L118 PolarHBondContact O-N 3.18Å; M80-L118 HydrophobicContact SD-CD1 4.48Å; L118-N123 HydrophobicContact CD2-CB 3.8Å; L118-I125 HydrophobicContact CD1-CD1 3.84Å; L118-I125 HydrophobicContact CD2-CD1 3.87Å; L118-I125 HydrophobicContact CD2-CG1 3.88Å
119	L	95	Very high	83.7	Confident	95 Å²	95	68.9 Å²	68.9	50%	0.497	39%	0.392	S	S	.	.			trans	-71.5	158.7	-178.9	-60.4	176.3	0	0	0	111	N72 T76 P117 G121 N123	N72-L119 WeakPolarHBondContact CB-O 3.46Å; N72-L119 PolarHBondContact ND2-O 2.74Å; T76-L119 HydrophobicContact CG2-CD2 3.79Å; P117-L119 PolarHBondContact O-N 3.06Å; L119-G121 PolarHBondContact O-N 2.72Å; L119-N123 PolarHBondContact N-OD1 3.09Å; L119-N123 PolarHBondContact O-ND2 3.32Å
120	P	96.9	Very high	84.6	Confident	79 Å²	79	68 Å²	68	51%	0.513	40%	0.397	S	S	.	.	S	Bend	trans	-54.2	139.6	168.2	-22.7	32.2	0	0	0	111.2	N72 G74 T76	N72-P120 WeakPolarHBondContact O-CA 3.35Å; G74-P120 WeakPolarHBondContact O-CG 3.4Å; T76-P120 WeakPolarHBondContact OG1-CD 3.39Å
121	G	96.7	Very high	85.2	Confident	34 Å²	34	65.1 Å²	65.1	35%	0.351	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101.9	-155	-174.6	0	0	0	0	0	113.8	A71 N72 L119 N123	A71-G121 CarbonylContact C-O 3.58Å; A71-G121 WeakPolarHBondContact CA-O 3.48Å; N72-G121 PolarHBondContact N-O 3.02Å; N72-G121 PolarHBondContact O-N 2.79Å; L119-G121 PolarHBondContact O-N 2.72Å; G121-N123 PolarHBondContact O-ND2 3.31Å; G121-N123 VanDerWaalsContact O-ND2 3.12Å
122	I	96.9	Very high	85.6	Confident	108 Å²	108	62.1 Å²	62.1	55%	0.554	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.2	-172	-53.9	-50.6	0	0	0	111	L43 V69 A71	L43-I122 HydrophobicContact CD1-CD1 3.52Å; V69-I122 HydrophobicContact CG1-CG2 3.72Å; A71-I122 HydrophobicContact CB-CD1 3.6Å
123	N	94.8	Very high	85.6	Confident	25 Å²	25	62.5 Å²	62.5	13%	0.134	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.8	175.7	-61.1	-92.9	0	0	0	110.2	V69 V70 L118 L119 G121	V69-N123 WeakPolarHBondContact CA-O 3.41Å; V70-N123 HydrophobicContact CG1-CB 3.98Å; V70-N123 PolarHBondContact N-O 3.31Å; V70-N123 PolarHBondContact O-N 2.84Å; L118-N123 HydrophobicContact CD2-CB 3.8Å; L119-N123 PolarHBondContact N-OD1 3.09Å; L119-N123 PolarHBondContact O-ND2 3.32Å; G121-N123 PolarHBondContact O-ND2 3.31Å; G121-N123 VanDerWaalsContact O-ND2 3.12Å
124	K	93.5	Very high	85.4	Confident	171 Å²	171	64.7 Å²	64.7	74%	0.743	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.3	173.5	-64.6	-177.7	-179.3	176.3	0	108.6	I68 V69	I68-K124 WeakPolarHBondContact O-CA 3.2Å; V69-K124 HydrophobicContact CG2-CG 4.42Å
125	I	90.3	Very high	85.1	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.062	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.3	178.1	-58.6	170.4	0	0	0	107.3	H67 I68 V70 V114 L118	H67-I125 WeakPolarHBondContact CA-O 3.49Å; I68-I125 HydrophobicContact CB-CB 4.39Å; I68-I125 PolarHBondContact N-O 2.95Å; I68-I125 PolarHBondContact O-N 3.34Å; V70-I125 HydrophobicContact CG1-CD1 3.88Å; V70-I125 HydrophobicContact CG1-CG1 4.43Å; V114-I125 HydrophobicContact CB-CG2 4.3Å; V114-I125 HydrophobicContact CG1-CG2 4.28Å; V114-I125 WeakPolarHBondContact O-CG2 3.41Å; L118-I125 HydrophobicContact CD1-CD1 3.84Å; L118-I125 HydrophobicContact CD2-CD1 3.87Å; L118-I125 HydrophobicContact CD2-CG1 3.88Å
126	T	89.7	Confident	84.5	Confident	79 Å²	79	60.3 Å²	60.3	49%	0.485	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.8	173.4	-67.8	0	0	0	0	107.9	T65 V66 H67 V114	T65-T126 HydrophobicContact CG2-CG2 3.43Å; T65-T126 VanDerWaalsContact CG2-CG2 3.43Å; V66-T126 WeakPolarHBondContact O-CA 3.16Å; H67-T126 WeakPolarHBondContact ND1-CG2 3.43Å; H67-T126 PolarHBondContact ND1-OG1 3.3Å; H67-T126 VanDerWaalsContact ND1-OG1 3.12Å; V114-T126 WeakPolarHBondContact CG1-O 3.24Å
127	M	86.3	Confident	83.7	Confident	49 Å²	49	65.8 Å²	65.8	24%	0.241	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.8	-175	59.7	-173.6	-74.3	0	0	111	T65 V66 I68 M110 V114 V129	T65-M127 WeakPolarHBondContact CA-O 3.45Å; V66-M127 HydrophobicContact CB-CG 3.83Å; V66-M127 PolarHBondContact N-O 2.85Å; V66-M127 PolarHBondContact O-N 3.13Å; I68-M127 HydrophobicContact CD1-SD 4.28Å; M110-M127 HydrophobicContact SD-CE 4.24Å; V114-M127 HydrophobicContact CG1-CB 4.24Å; V114-M127 HydrophobicContact CG2-CB 4.48Å; M127-V129 HydrophobicContact CE-CG2 3.63Å; M127-V129 HydrophobicContact CG-CG2 4.2Å
128	L	87	Confident	82.4	Confident	121 Å²	121	66.3 Å²	66.3	63%	0.634	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.8	169.6	-178.5	67	0	0	0	108.8	P63	P63-L128 HydrophobicContact CB-CD1 4.13Å
129	V	83.3	Confident	80.9	Confident	19 Å²	19	66.3 Å²	66.3	12%	0.115	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132	179.3	-177.3	0	0	0	0	108.8	P63 F64 V66 M127 F131	P63-V129 VanDerWaalsContact CA-O 3.29Å; P63-V129 WeakPolarHBondContact CA-O 3.5Å; F64-V129 HydrophobicContact CD2-CB 4.15Å; F64-V129 HydrophobicContact CE1-CB 4.29Å; F64-V129 HydrophobicContact CE1-CG1 4.08Å; F64-V129 HydrophobicContact CE2-CB 3.69Å; F64-V129 HydrophobicContact CE2-CG1 3.96Å; F64-V129 HydrophobicContact CE2-CG2 4.18Å; F64-V129 HydrophobicContact CZ-CB 3.76Å; F64-V129 HydrophobicContact CZ-CG1 3.54Å; F64-V129 PolarHBondContact N-O 3.14Å; F64-V129 PolarHBondContact O-N 3.15Å; V66-V129 HydrophobicContact CG2-CG2 3.9Å; M127-V129 HydrophobicContact CE-CG2 3.63Å; M127-V129 HydrophobicContact CG-CG2 4.2Å; V129-F131 HydrophobicContact CG1-CE1 4.12Å; V129-F131 HydrophobicContact CG1-CE2 4.45Å; V129-F131 HydrophobicContact CG1-CZ 4.05Å
130	A	82.8	Confident	79.2	Confident	64 Å²	64	68.6 Å²	68.6	53%	0.529	38%	0.378	S	S	.	.			trans	-137.9	120.8	172.6	0	0	0	0	0	108.8	P63	P63-A130 HydrophobicContact CB-CB 4.2Å; P63-A130 HydrophobicContact CG-CB 4.1Å
131	F	77.8	Confident	77.9	Confident	28 Å²	28	66.5 Å²	66.5	12%	0.123	36%	0.362	C	S	.	.			trans	-84.4	148.2	174.6	-63.2	-56.6	0	0	0	110.9	I60 F64 I86 L108 V129 L135 T136 V146	I60-F131 HydrophobicContact CB-CD2 4.02Å; I60-F131 HydrophobicContact CB-CE2 4Å; I60-F131 HydrophobicContact CD1-CD2 4.49Å; I60-F131 HydrophobicContact CD1-CE2 4.4Å; I60-F131 HydrophobicContact CG2-CE2 4.41Å; I60-F131 WeakPolarHBondContact O-CD2 3.3Å; F64-F131 AromaticContact CE1-CD2 3.92Å; F64-F131 HydrophobicContact CE1-CD2 3.92Å; F64-F131 AromaticContact CE1-CE2 3.57Å; F64-F131 HydrophobicContact CE1-CE2 3.57Å; F64-F131 HydrophobicContact CE1-CZ 4.4Å; F64-F131 HydrophobicContact CZ-CD2 4.34Å; F64-F131 AromaticContact CZ-CE2 3.55Å; F64-F131 HydrophobicContact CZ-CE2 3.55Å; F64-F131 AromaticContact CZ-CZ 3.99Å; F64-F131 HydrophobicContact CZ-CZ 3.99Å; I86-F131 HydrophobicContact CD1-CZ 4.49Å; L108-F131 HydrophobicContact CD1-CE1 4.4Å; L108-F131 HydrophobicContact CD2-CD1 3.8Å; L108-F131 HydrophobicContact CD2-CE1 3.7Å; V129-F131 HydrophobicContact CG1-CE1 4.12Å; V129-F131 HydrophobicContact CG1-CE2 4.45Å; V129-F131 HydrophobicContact CG1-CZ 4.05Å; F131-L135 HydrophobicContact CB-CD2 4.41Å; F131-L135 HydrophobicContact CD1-CD2 4.11Å; F131-L135 HydrophobicContact CG-CD2 4.44Å; F131-T136 HydrophobicContact CB-CG2 3.78Å; F131-V146 HydrophobicContact CZ-CG2 4.16Å
132	F	72.1	Confident	77.1	Confident	119 Å²	119	66.5 Å²	66.5	52%	0.522	36%	0.358	S	S	.	.			trans	-65.5	140.2	172.3	-68.6	-84.4	0	0	0	110.7	L107 S134 L135 T136	L107-F132 HydrophobicContact CB-CD2 4.19Å; L107-F132 HydrophobicContact CB-CE2 4.19Å; L107-F132 HydrophobicContact CD1-CD2 4.19Å; L107-F132 HydrophobicContact CD2-CD2 4.05Å; L107-F132 HydrophobicContact CD2-CE2 3.72Å; L107-F132 HydrophobicContact CD2-CZ 4.26Å; L107-F132 HydrophobicContact CG-CD2 4.39Å; L107-F132 HydrophobicContact CG-CE2 4.41Å; F132-S134 PolarHBondContact O-N 2.9Å; F132-S134 VanDerWaalsContact O-N 3.15Å; F132-L135 WeakPolarHBondContact O-CB 3.4Å; F132-L135 PolarHBondContact O-N 3.28Å; F132-L135 VanDerWaalsContact O-N 3.09Å; F132-T136 PolarHBondContact O-N 3.23Å
133	A	66.5	Low	76.8	Confident	66 Å²	66	61.5 Å²	61.5	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-56.8	-35.2	-176.7	0	0	0	0	0	112.8	T136 K137	A133-T136 PolarHBondContact O-N 3.01Å; A133-T136 PolarHBondContact O-OG1 2.9Å; A133-K137 WeakPolarHBondContact O-CG 3.45Å; A133-K137 PolarHBondContact O-N 3.06Å
134	S	67	Low	76.5	Confident	71 Å²	71	60.7 Å²	60.7	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-50.6	175.9	47.8	0	0	0	0	112.1	F132 T136 K137 E138	F132-S134 PolarHBondContact O-N 2.9Å; F132-S134 VanDerWaalsContact O-N 3.15Å; S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 3.31Å; S134-K137 WeakPolarHBondContact O-CB 3.45Å; S134-K137 PolarHBondContact O-N 2.89Å; S134-K137 VanDerWaalsContact O-N 3.13Å; S134-E138 PolarHBondContact O-N 2.53Å
135	L	66.4	Low	76.4	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-43.2	178.9	-172.2	69	0	0	0	111.2	I86 L102 F131 F132 K137 E138 I139	I86-L135 HydrophobicContact CD1-CD2 4.15Å; I86-L135 HydrophobicContact CG2-CD1 3.71Å; I86-L135 HydrophobicContact CG2-CD2 3.86Å; I86-L135 HydrophobicContact CG2-CG 4.09Å; L102-L135 HydrophobicContact CB-CD1 4.26Å; F131-L135 HydrophobicContact CB-CD2 4.41Å; F131-L135 HydrophobicContact CD1-CD2 4.11Å; F131-L135 HydrophobicContact CG-CD2 4.44Å; F132-L135 WeakPolarHBondContact O-CB 3.4Å; F132-L135 PolarHBondContact O-N 3.28Å; F132-L135 VanDerWaalsContact O-N 3.09Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.96Å; L135-E138 PolarHBondContact O-N 3.24Å; L135-I139 PolarHBondContact O-N 2.96Å
136	T	64.6	Low	76.4	Confident	8 Å²	8	52.6 Å²	52.6	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-71.4	-26.7	-178.4	69.3	0	0	0	0	113.2	R61 F131 F132 A133 S134 E138 I139	R61-T136 PolarHBondContact NH1-O 2.86Å; R61-T136 PolarHBondContact NH2-O 2.93Å; F131-T136 HydrophobicContact CB-CG2 3.78Å; F132-T136 PolarHBondContact O-N 3.23Å; A133-T136 PolarHBondContact O-N 3.01Å; A133-T136 PolarHBondContact O-OG1 2.9Å; S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 3.31Å; T136-E138 VanDerWaalsContact C-N 3.31Å; T136-I139 PolarHBondContact O-N 2.74Å
137	K	66.3	Low	76.4	Confident	154 Å²	154	51.6 Å²	51.6	67%	0.67	28%	0.283	S	S	*	.	H	α-helix	trans	-68.4	-32.8	174	-75	177	-179.3	-176	0	111.7	A133 S134 L135 I139	A133-K137 WeakPolarHBondContact O-CG 3.45Å; A133-K137 PolarHBondContact O-N 3.06Å; S134-K137 WeakPolarHBondContact O-CB 3.45Å; S134-K137 PolarHBondContact O-N 2.89Å; S134-K137 VanDerWaalsContact O-N 3.13Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.96Å; K137-I139 VanDerWaalsContact C-N 3.27Å
138	E	62.8	Low	76.6	Confident	81 Å²	81	51.1 Å²	51.1	38%	0.379	28%	0.283	S	S	.	.	H	α-helix	trans	-73.6	-19.7	176.1	-66.5	-179	-161.8	0	0	113.1	L102 S134 L135 T136 L140	L102-E138 HydrophobicContact CD2-CB 4.35Å; S134-E138 PolarHBondContact O-N 2.53Å; L135-E138 PolarHBondContact O-N 3.24Å; T136-E138 VanDerWaalsContact C-N 3.31Å; E138-L140 WeakPolarHBondContact O-CG 3.46Å; E138-L140 PolarHBondContact O-N 2.71Å
139	I	62.4	Low	76.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.258	C	S	.	.			trans	-75.5	85.5	169.6	-46.1	166.1	0	0	0	108.1	I60 R61 I86 L102 L135 T136 K137 Q141 I169	I60-I139 HydrophobicContact CD1-CD1 3.59Å; R61-I139 PolarHBondContact NH2-O 3.25Å; R61-I139 VanDerWaalsContact NH2-O 3.16Å; I86-I139 HydrophobicContact CD1-CD1 3.74Å; L102-I139 HydrophobicContact CD1-CB 4.46Å; L102-I139 HydrophobicContact CD1-CD1 4.44Å; L102-I139 HydrophobicContact CD1-CG1 3.45Å; L102-I139 VanDerWaalsContact CD1-CG1 3.45Å; L135-I139 PolarHBondContact O-N 2.96Å; T136-I139 PolarHBondContact O-N 2.74Å; K137-I139 VanDerWaalsContact C-N 3.27Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q141 WeakPolarHBondContact CG2-O 3.4Å; I139-I169 HydrophobicContact CB-CD1 3.92Å; I139-I169 HydrophobicContact CD1-CD1 4.15Å; I139-I169 HydrophobicContact CG2-CD1 3.28Å
140	L	58.8	Low	77.1	Confident	144 Å²	144	45.8 Å²	45.8	75%	0.754	26%	0.257	S	S	*	.			trans	-76.5	-22	-177.4	-65.5	172.6	0	0	0	112.6	M90 E138	M90-L140 HydrophobicContact CE-CB 4.46Å; E138-L140 WeakPolarHBondContact O-CG 3.46Å; E138-L140 PolarHBondContact O-N 2.71Å
141	Q	69.3	Low	77.5	Confident	35 Å²	35	46.8 Å²	46.8	16%	0.164	25%	0.247	C	C	.	.	S	Bend	trans	-112.2	166.3	-176.2	-59.1	-146.1	41.2	0	0	112.1	Y89 M90 I139 A143	Y89-Q141 WeakPolarHBondContact O-CB 3.48Å; Y89-Q141 VanDerWaalsContact O-CD 3.29Å; M90-Q141 HydrophobicContact CB-CG 4.15Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q141 WeakPolarHBondContact CG2-O 3.4Å; Q141-A143 VanDerWaalsContact C-N 3.29Å; Q141-A143 PolarHBondContact O-N 2.84Å
142	A	80.6	Confident	78.2	Confident	34 Å²	34	46.4 Å²	46.4	28%	0.281	25%	0.246	S	C	.	.	S	Bend	trans	-74.9	-11.4	-171.6	0	0	0	0	0	114.3	V168 I169	A142-V168 HydrophobicContact CB-CG1 4.41Å; A142-V168 CarbonylContact O-C 3.52Å; A142-V168 VanDerWaalsContact O-CA 3.22Å; A142-V168 WeakPolarHBondContact O-CA 3.35Å; A142-V168 WeakPolarHBondContact O-CG1 3.28Å; A142-I169 PolarHBondContact O-N 3.02Å
143	A	90	Very high	79	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135	-173.8	0	0	0	0	0	112.4	I24 T88 Y89 W99 Q141 G167	I24-A143 HydrophobicContact CD1-CB 3.89Å; T88-A143 WeakPolarHBondContact CA-O 3.44Å; Y89-A143 PolarHBondContact N-O 3.08Å; Y89-A143 VanDerWaalsContact N-O 3.08Å; W99-A143 HydrophobicContact CH2-CB 4.24Å; W99-A143 HydrophobicContact CZ3-CB 4.46Å; Q141-A143 VanDerWaalsContact C-N 3.29Å; Q141-A143 PolarHBondContact O-N 2.84Å; A143-G167 WeakPolarHBondContact CA-O 3.25Å
144	Y	89.4	Confident	80.1	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	157.8	179.5	72.7	-85.4	0	0	0	111.2	I60 Q87 W99 V146 E166 G167 I169	I60-Y144 HydrophobicContact CD1-CD1 3.89Å; I60-Y144 HydrophobicContact CD1-CD2 4.18Å; I60-Y144 HydrophobicContact CD1-CE1 4.3Å; I60-Y144 HydrophobicContact CD1-CG 3.81Å; I60-Y144 HydrophobicContact CG2-CD1 4.4Å; I60-Y144 HydrophobicContact CG2-CE1 3.74Å; I60-Y144 HydrophobicContact CG2-CE2 4.08Å; Q87-Y144 CarbonylContact O-C 3.51Å; Q87-Y144 VanDerWaalsContact O-CA 3.26Å; Q87-Y144 WeakPolarHBondContact O-CA 3.4Å; W99-Y144 VanDerWaalsContact CZ3-C 3.42Å; Y144-V146 HydrophobicContact CD2-CG2 4.03Å; Y144-V146 HydrophobicContact CE2-CG2 4.28Å; Y144-E166 WeakPolarHBondContact O-CA 3.43Å; Y144-G167 WeakPolarHBondContact CD1-O 3.42Å; Y144-G167 PolarHBondContact N-O 2.99Å; Y144-G167 PolarHBondContact O-N 2.93Å; Y144-I169 HydrophobicContact CD1-CD1 4.35Å; Y144-I169 HydrophobicContact CD1-CG1 3.53Å; Y144-I169 HydrophobicContact CE1-CG1 4.22Å; Y144-I169 HydrophobicContact CG-CG1 4.38Å
145	A	91.4	Very high	81.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143	164.4	0	0	0	0	0	109.9	I86 Q87 W99 R164 I165 E166	I86-A145 CarbonylContact C-O 3.6Å; I86-A145 WeakPolarHBondContact CA-O 3.16Å; Q87-A145 HydrophobicContact CB-CB 4.24Å; Q87-A145 PolarHBondContact N-O 3.38Å; Q87-A145 PolarHBondContact O-N 3.16Å; W99-A145 HydrophobicContact CD2-CB 4.32Å; W99-A145 HydrophobicContact CE3-CB 3.91Å; W99-A145 HydrophobicContact CH2-CB 4.09Å; W99-A145 HydrophobicContact CZ2-CB 4.47Å; W99-A145 HydrophobicContact CZ3-CB 3.79Å; A145-R164 VanDerWaalsContact CB-CZ 3.43Å; A145-I165 CarbonylContact C-O 3.6Å; A145-I165 WeakPolarHBondContact CA-O 2.99Å; A145-E166 HydrophobicContact CB-CB 4.41Å; A145-E166 HydrophobicContact CB-CG 3.83Å
146	V	89.5	Confident	82.4	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.085	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.5	171.9	-172.7	0	0	0	0	107.7	D85 I86 F131 Y144 V148 R164 I165	D85-V146 CarbonylContact O-C 3.45Å; D85-V146 VanDerWaalsContact O-CA 3.3Å; D85-V146 WeakPolarHBondContact O-CA 3.36Å; I86-V146 HydrophobicContact CD1-CG2 4.32Å; I86-V146 HydrophobicContact CG1-CG2 4.16Å; F131-V146 HydrophobicContact CZ-CG2 4.16Å; Y144-V146 HydrophobicContact CD2-CG2 4.03Å; Y144-V146 HydrophobicContact CE2-CG2 4.28Å; V146-V148 HydrophobicContact CG1-CG2 3.78Å; V146-R164 WeakPolarHBondContact O-CA 2.98Å; V146-I165 PolarHBondContact N-O 2.74Å; V146-I165 PolarHBondContact O-N 2.82Å
147	E	90.9	Very high	83.6	Confident	57 Å²	57	52.8 Å²	52.8	27%	0.266	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	169.2	-169.5	168.2	122.6	0	0	108.5	C33 G84 D85 I163	C33-E147 HydrophobicContact CB-CG 4.04Å; C33-E147 WeakPolarHBondContact SG-CG 3.07Å; G84-E147 CarbonylContact C-O 3.58Å; G84-E147 VanDerWaalsContact CA-O 3.22Å; G84-E147 WeakPolarHBondContact CA-O 3.35Å; D85-E147 HydrophobicContact CB-CB 4.46Å; D85-E147 PolarHBondContact N-O 3.36Å; D85-E147 PolarHBondContact O-N 2.75Å; E147-I163 CarbonylContact C-O 3.53Å; E147-I163 WeakPolarHBondContact CA-O 3.3Å
148	V	89.5	Confident	84.8	Confident	39 Å²	39	47.7 Å²	47.7	24%	0.236	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.7	179.6	-175.4	0	0	0	0	108.9	D83 V146 C162 I163	D83-V148 WeakPolarHBondContact O-CA 3.37Å; V146-V148 HydrophobicContact CG1-CG2 3.78Å; V148-C162 WeakPolarHBondContact O-CA 3.48Å; V148-I163 HydrophobicContact CB-CG1 4.07Å; V148-I163 PolarHBondContact N-O 2.97Å; V148-I163 PolarHBondContact O-N 2.71Å
149	V	90.7	Very high	86.2	Confident	16 Å²	16	46.4 Å²	46.4	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.5	173.2	-176.7	0	0	0	0	108.2	S82 D83 R151 E159	S82-V149 VanDerWaalsContact CA-O 3.3Å; S82-V149 WeakPolarHBondContact CA-O 3.47Å; D83-V149 PolarHBondContact N-O 3.42Å; D83-V149 PolarHBondContact O-N 2.91Å; V149-R151 HydrophobicContact CG1-CG 4.12Å; V149-E159 HydrophobicContact CG1-CG 3.85Å; V149-E159 WeakPolarHBondContact CG1-OE2 3.41Å
150	A	90.8	Very high	87.7	Confident	12 Å²	12	46.6 Å²	46.6	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.2	174.1	0	0	0	0	0	110.1	M80 L81 L160 A161	M80-A150 HydrophobicContact CG-CB 4.29Å; M80-A150 HydrophobicContact SD-CB 3.87Å; L81-A150 CarbonylContact O-C 3.57Å; L81-A150 WeakPolarHBondContact O-CA 3.29Å; A150-L160 HydrophobicContact CB-CB 4.45Å; A150-L160 PolarHBondContact O-N 2.03Å; A150-A161 PolarHBondContact N-O 2.85Å; A150-A161 PolarHBondContact O-N 3.14Å
151	R	91.6	Very high	89.3	Confident	85 Å²	85	40.2 Å²	40.2	32%	0.321	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.2	179.2	-51	-164.6	-168.2	154.3	6.7	111.4	M80 L81 V149 G153 P156 T158	M80-R151 WeakPolarHBondContact CA-O 3.4Å; M80-R151 WeakPolarHBondContact CG-O 3.22Å; L81-R151 PolarHBondContact N-O 3.42Å; L81-R151 PolarHBondContact O-N 3.26Å; V149-R151 HydrophobicContact CG1-CG 4.12Å; R151-G153 PolarHBondContact O-N 3.45Å; R151-P156 WeakPolarHBondContact CD-O 3.42Å; R151-P156 PolarHBondContact NH1-O 2.84Å; R151-T158 CarbonylContact C-O 3.58Å; R151-T158 VanDerWaalsContact CA-O 3.26Å; R151-T158 WeakPolarHBondContact CA-O 3.12Å; R151-T158 WeakPolarHBondContact CB-O 3.5Å
152	D	91.4	Very high	90.4	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	125.8	172.4	-177.6	-7.2	0	0	0	109.1	N154 H155 P156 T158 L160	D152-N154 PolarHBondContact O-N 3.32Å; D152-N154 PolarHBondContact OD1-N 3.31Å; D152-H155 HydrophobicContact CB-CB 4.24Å; D152-H155 CarbonylContact O-C 3.49Å; D152-H155 PolarHBondContact O-N 3.02Å; D152-H155 VanDerWaalsContact O-O 3.13Å; D152-H155 IonicContact OD2-CG 3.46Å; D152-H155 IonicContact OD2-ND1 3.81Å; D152-H155 PolarHBondContact OD2-ND1 3.04Å; D152-P156 VanDerWaalsContact O-CA 3.31Å; D152-P156 WeakPolarHBondContact O-CA 3.2Å; D152-T158 PolarHBondContact N-O 2.92Å; D152-L160 HydrophobicContact CB-CD1 4.48Å; D152-L160 HydrophobicContact CB-CD2 4.36Å
153	G	89.9	Confident	90.9	Very high	16 Å²	16	38 Å²	38	17%	0.165	20%	0.2	C	C	.	.	S	Bend	trans	-70.4	-20.7	179.5	0	0	0	0	0	114.2	N79 R151	N79-G153 PolarHBondContact O-N 3.1Å; R151-G153 PolarHBondContact O-N 3.45Å
154	N	89.9	Confident	91.1	Very high	94 Å²	94	38.8 Å²	38.8	50%	0.503	20%	0.202	S	C	.	.	S	Bend	trans	-87	-24.5	173.7	-62.8	-32.3	0	0	0	112.2	D152	D152-N154 PolarHBondContact O-N 3.32Å; D152-N154 PolarHBondContact OD1-N 3.31Å
155	H	91.3	Very high	91.3	Very high	97 Å²	97	39.4 Å²	39.4	45%	0.449	21%	0.205	S	C	.	.	S	Bend	trans	-133.4	75.7	179.8	-54.5	101.9	0	0	0	109.5	D152 E157 T158	D152-H155 HydrophobicContact CB-CB 4.24Å; D152-H155 CarbonylContact O-C 3.49Å; D152-H155 PolarHBondContact O-N 3.02Å; D152-H155 VanDerWaalsContact O-O 3.13Å; D152-H155 IonicContact OD2-CG 3.46Å; D152-H155 IonicContact OD2-ND1 3.81Å; D152-H155 PolarHBondContact OD2-ND1 3.04Å; H155-E157 WeakPolarHBondContact CB-OE1 3.26Å; H155-E157 PolarHBondContact O-N 3.48Å; H155-T158 WeakPolarHBondContact O-CA 3.47Å; H155-T158 VanDerWaalsContact O-CB 3.28Å; H155-T158 WeakPolarHBondContact O-CB 3.46Å; H155-T158 PolarHBondContact O-N 3.46Å
156	P	89.7	Confident	91.4	Very high	57 Å²	57	40 Å²	40	37%	0.37	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.9	-170.6	-24.5	36	0	0	0	115.9	L81 R151 D152 T158	L81-P156 HydrophobicContact CD1-CB 3.95Å; L81-P156 HydrophobicContact CD1-CG 3.95Å; R151-P156 WeakPolarHBondContact CD-O 3.42Å; R151-P156 PolarHBondContact NH1-O 2.84Å; D152-P156 VanDerWaalsContact O-CA 3.31Å; D152-P156 WeakPolarHBondContact O-CA 3.2Å; P156-T158 VanDerWaalsContact C-N 3.35Å
157	E	89.8	Confident	91.5	Very high	142 Å²	142	39.3 Å²	39.3	66%	0.664	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.9	169.7	72.7	-73.6	176.8	0	0	113.2	H155 E159	H155-E157 WeakPolarHBondContact CB-OE1 3.26Å; H155-E157 PolarHBondContact O-N 3.48Å; E157-E159 PolarHBondContact O-N 2.96Å
158	T	91.3	Very high	91.6	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	20%	0.196	S	C	.	.			trans	-86.4	99.7	179.1	-59.3	0	0	0	0	109.7	I39 R151 D152 H155 P156 L160	I39-T158 HydrophobicContact CD1-CG2 3.66Å; R151-T158 CarbonylContact C-O 3.58Å; R151-T158 VanDerWaalsContact CA-O 3.26Å; R151-T158 WeakPolarHBondContact CA-O 3.12Å; R151-T158 WeakPolarHBondContact CB-O 3.5Å; D152-T158 PolarHBondContact N-O 2.92Å; H155-T158 WeakPolarHBondContact O-CA 3.47Å; H155-T158 VanDerWaalsContact O-CB 3.28Å; H155-T158 WeakPolarHBondContact O-CB 3.46Å; H155-T158 PolarHBondContact O-N 3.46Å; P156-T158 VanDerWaalsContact C-N 3.35Å; T158-L160 PolarHBondContact O-N 3.42Å
159	E	92.3	Very high	91.4	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.257	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125	170.3	-168.8	175.3	113.2	0	0	110.4	R34 V149 E157 C162	R34-E159 WeakPolarHBondContact CD-OE1 3.29Å; R34-E159 IonicContact CZ-OE2 2.79Å; R34-E159 IonicContact NE-OE1 2.64Å; R34-E159 PolarHBondContact NE-OE1 3.45Å; R34-E159 IonicContact NE-OE2 3.43Å; R34-E159 PolarHBondContact NE-OE2 3.14Å; R34-E159 IonicContact NH2-OE2 3.25Å; R34-E159 PolarHBondContact NH2-OE2 3.14Å; V149-E159 HydrophobicContact CG1-CG 3.85Å; V149-E159 WeakPolarHBondContact CG1-OE2 3.41Å; E157-E159 PolarHBondContact O-N 2.96Å; E159-C162 WeakPolarHBondContact OE1-CB 3.48Å
160	L	93	Very high	91.1	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-47.5	178.3	-61.4	171.9	0	0	0	110.4	I39 F40 V77 M80 A150 D152 T158	I39-L160 HydrophobicContact CB-CD2 4.39Å; I39-L160 HydrophobicContact CD1-CD2 4.23Å; I39-L160 HydrophobicContact CG2-CD2 4.2Å; I39-L160 PolarHBondContact N-O 2.98Å; I39-L160 VanDerWaalsContact N-O 3.16Å; F40-L160 HydrophobicContact CB-CB 4.46Å; F40-L160 WeakPolarHBondContact CB-O 3.49Å; F40-L160 HydrophobicContact CD1-CB 4.33Å; F40-L160 HydrophobicContact CD2-CB 3.87Å; F40-L160 HydrophobicContact CD2-CD1 4.41Å; F40-L160 HydrophobicContact CE1-CD2 4.16Å; F40-L160 HydrophobicContact CE2-CB 4.1Å; F40-L160 HydrophobicContact CE2-CD1 3.8Å; F40-L160 HydrophobicContact CE2-CG 4.45Å; F40-L160 HydrophobicContact CG-CB 4.01Å; F40-L160 HydrophobicContact CZ-CB 4.43Å; F40-L160 HydrophobicContact CZ-CD1 3.87Å; F40-L160 HydrophobicContact CZ-CD2 4.32Å; F40-L160 HydrophobicContact CZ-CG 4.44Å; F40-L160 PolarHBondContact N-O 3.38Å; V77-L160 HydrophobicContact CG1-CD1 3.86Å; V77-L160 HydrophobicContact CG2-CD1 4.01Å; V77-L160 HydrophobicContact CG2-CD2 3.79Å; M80-L160 HydrophobicContact CG-CD1 4.1Å; M80-L160 HydrophobicContact SD-CD1 4.27Å; A150-L160 HydrophobicContact CB-CB 4.45Å; A150-L160 PolarHBondContact O-N 2.03Å; D152-L160 HydrophobicContact CB-CD1 4.48Å; D152-L160 HydrophobicContact CB-CD2 4.36Å; T158-L160 PolarHBondContact O-N 3.42Å
161	A	92.6	Very high	90.1	Very high	11 Å²	11	45.1 Å²	45.1	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	157.1	176.2	0	0	0	0	0	111.7	F40 A150	F40-A161 HydrophobicContact CB-CB 3.82Å; A150-A161 PolarHBondContact N-O 2.85Å; A150-A161 PolarHBondContact O-N 3.14Å
162	C	92.5	Very high	90	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.7	165.7	-172.1	0	0	0	0	107.6	E32 C33 R34 V148 E159	E32-C162 VanDerWaalsContact CA-O 3.31Å; E32-C162 WeakPolarHBondContact CA-O 3.42Å; C33-C162 HydrophobicContact CB-CB 4.29Å; C33-C162 WeakPolarHBondContact CB-SG 2.87Å; C33-C162 PolarHBondContact N-O 2.74Å; C33-C162 VanDerWaalsContact N-O 3.08Å; C33-C162 VanDerWaalsContact SG-CA 3.51Å; C33-C162 WeakPolarHBondContact SG-CB 3.31Å; C33-C162 PolarHBondContact SG-O 2.95Å; C33-C162 VanDerWaalsContact SG-O 3.36Å; C33-C162 CovalentContact SG-SG 2.03Å; C33-C162 PolarHBondContact SG-SG 2.83Å; R34-C162 HydrophobicContact CB-CB 4.23Å; R34-C162 HydrophobicContact CG-CB 3.8Å; V148-C162 WeakPolarHBondContact O-CA 3.48Å; E159-C162 WeakPolarHBondContact OE1-CB 3.48Å
163	I	92.6	Very high	90	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.9	175.8	61.8	174.9	0	0	0	111.8	Q31 C33 V42 L45 E147 V148 I165	Q31-I163 CarbonylContact O-C 3.54Å; Q31-I163 WeakPolarHBondContact O-CA 3.46Å; C33-I163 PolarHBondContact SG-N 3.35Å; V42-I163 HydrophobicContact CB-CG2 4.39Å; V42-I163 HydrophobicContact CG2-CG2 3.71Å; L45-I163 HydrophobicContact CD1-CD1 4.18Å; E147-I163 CarbonylContact C-O 3.53Å; E147-I163 WeakPolarHBondContact CA-O 3.3Å; V148-I163 HydrophobicContact CB-CG1 4.07Å; V148-I163 PolarHBondContact N-O 2.97Å; V148-I163 PolarHBondContact O-N 2.71Å; I163-I165 HydrophobicContact CD1-CD1 4.06Å; I163-I165 HydrophobicContact CD1-CG1 4.38Å
164	R	93.2	Very high	90	Very high	19 Å²	19	45.8 Å²	45.8	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126	169.7	179.1	179.3	179.5	81.6	1.9	109.2	V30 Q31 C33 W99 A145 V146 E166	V30-R164 WeakPolarHBondContact CA-O 3.32Å; Q31-R164 HydrophobicContact CG-CB 3.97Å; Q31-R164 HydrophobicContact CG-CG 4.49Å; Q31-R164 PolarHBondContact N-O 2.83Å; Q31-R164 PolarHBondContact O-N 3.13Å; C33-R164 HydrophobicContact CB-CB 4.27Å; W99-R164 VanDerWaalsContact CD1-NH2 3.3Å; W99-R164 VanDerWaalsContact CD2-NH2 3.28Å; A145-R164 VanDerWaalsContact CB-CZ 3.43Å; V146-R164 WeakPolarHBondContact O-CA 2.98Å; R164-E166 HydrophobicContact CG-CG 4.12Å; R164-E166 IonicContact CZ-OE1 3.27Å; R164-E166 VanDerWaalsContact CZ-OE1 3.27Å; R164-E166 IonicContact NE-OE1 2.71Å; R164-E166 PolarHBondContact NE-OE1 2.83Å; R164-E166 IonicContact NH2-OE1 2.96Å; R164-E166 PolarHBondContact NH2-OE1 2.74Å
165	I	92.7	Very high	90	Very high	20 Å²	20	43 Å²	43	10%	0.103	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.9	179.7	-54.9	169.1	0	0	0	107.4	I28 R29 V30 L45 A145 V146 I163	I28-I165 HydrophobicContact CG2-CG2 3.5Å; R29-I165 CarbonylContact O-C 3.54Å; R29-I165 WeakPolarHBondContact O-CA 3.48Å; V30-I165 HydrophobicContact CG2-CG1 4.44Å; V30-I165 HydrophobicContact CG2-CG2 4.46Å; L45-I165 HydrophobicContact CD1-CD1 3.59Å; L45-I165 HydrophobicContact CD1-CG1 4.11Å; A145-I165 CarbonylContact C-O 3.6Å; A145-I165 WeakPolarHBondContact CA-O 2.99Å; V146-I165 PolarHBondContact N-O 2.74Å; V146-I165 PolarHBondContact O-N 2.82Å; I163-I165 HydrophobicContact CD1-CD1 4.06Å; I163-I165 HydrophobicContact CD1-CG1 4.38Å
166	E	93.9	Very high	89.9	Confident	12 Å²	12	39.6 Å²	39.6	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.9	178.4	-52.3	-173.5	150.7	0	0	110.2	I24 I28 R29 W99 Y144 A145 R164	I24-E166 HydrophobicContact CD1-CB 4.44Å; I24-E166 HydrophobicContact CG2-CB 3.59Å; I28-E166 WeakPolarHBondContact CA-O 3.46Å; I28-E166 WeakPolarHBondContact CG2-O 3.41Å; R29-E166 HydrophobicContact CB-CB 4.34Å; R29-E166 PolarHBondContact N-O 3.39Å; R29-E166 PolarHBondContact O-N 3.12Å; W99-E166 HydrophobicContact CH2-CB 4.41Å; W99-E166 HydrophobicContact CZ2-CB 4.33Å; W99-E166 HydrophobicContact CZ2-CG 4.18Å; W99-E166 PolarHBondContact NE1-OE1 2.73Å; Y144-E166 WeakPolarHBondContact O-CA 3.43Å; A145-E166 HydrophobicContact CB-CB 4.41Å; A145-E166 HydrophobicContact CB-CG 3.83Å; R164-E166 HydrophobicContact CG-CG 4.12Å; R164-E166 IonicContact CZ-OE1 3.27Å; R164-E166 VanDerWaalsContact CZ-OE1 3.27Å; R164-E166 IonicContact NE-OE1 2.71Å; R164-E166 PolarHBondContact NE-OE1 2.83Å; R164-E166 IonicContact NH2-OE1 2.96Å; R164-E166 PolarHBondContact NH2-OE1 2.74Å
167	G	92.8	Very high	89.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	175.9	-179.5	0	0	0	0	0	113.9	A143 Y144	A143-G167 WeakPolarHBondContact CA-O 3.25Å; Y144-G167 WeakPolarHBondContact CD1-O 3.42Å; Y144-G167 PolarHBondContact N-O 2.99Å; Y144-G167 PolarHBondContact O-N 2.93Å
168	V	91.3	Very high	89.9	Confident	16 Å²	16	31.1 Å²	31.1	10%	0.097	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.7	175.4	176.2	0	0	0	0	109.5	T20 I24 Y56 P57 V58 A142	T20-V168 HydrophobicContact CG2-CG2 3.49Å; T20-V168 VanDerWaalsContact CG2-CG2 3.49Å; I24-V168 HydrophobicContact CD1-CG2 4.49Å; I24-V168 HydrophobicContact CG1-CG2 4.46Å; I24-V168 WeakPolarHBondContact O-CG2 2.98Å; Y56-V168 HydrophobicContact CE1-CB 4.42Å; Y56-V168 WeakPolarHBondContact OH-CB 3.34Å; Y56-V168 VanDerWaalsContact OH-CG2 3.3Å; Y56-V168 WeakPolarHBondContact OH-CG2 3.26Å; Y56-V168 PolarHBondContact OH-N 2.99Å; P57-V168 HydrophobicContact CB-CB 3.98Å; P57-V168 HydrophobicContact CB-CG1 3.89Å; P57-V168 VanDerWaalsContact CB-O 3.29Å; P57-V168 WeakPolarHBondContact CB-O 3.43Å; P57-V168 HydrophobicContact CG-CB 4.22Å; P57-V168 HydrophobicContact CG-CG1 3.89Å; V58-V168 PolarHBondContact N-O 3.28Å; A142-V168 HydrophobicContact CB-CG1 4.41Å; A142-V168 CarbonylContact O-C 3.52Å; A142-V168 VanDerWaalsContact O-CA 3.22Å; A142-V168 WeakPolarHBondContact O-CA 3.35Å; A142-V168 WeakPolarHBondContact O-CG1 3.28Å
169	I	85.8	Confident	89.8	Confident	5 Å²	5	29.9 Å²	29.9	3%	0.026	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-80.5	125.6	173.9	-55.2	-174.7	0	0	0	108.4	V58 I60 I139 A142 Y144 N171	V58-I169 WeakPolarHBondContact O-CA 3.28Å; I60-I169 HydrophobicContact CD1-CD1 3.74Å; I60-I169 HydrophobicContact CD1-CG1 3.95Å; I60-I169 HydrophobicContact CG1-CD1 4.04Å; I60-I169 HydrophobicContact CG1-CG1 4.01Å; I60-I169 HydrophobicContact CG1-CG2 4.32Å; I139-I169 HydrophobicContact CB-CD1 3.92Å; I139-I169 HydrophobicContact CD1-CD1 4.15Å; I139-I169 HydrophobicContact CG2-CD1 3.28Å; A142-I169 PolarHBondContact O-N 3.02Å; Y144-I169 HydrophobicContact CD1-CD1 4.35Å; Y144-I169 HydrophobicContact CD1-CG1 3.53Å; Y144-I169 HydrophobicContact CE1-CG1 4.22Å; Y144-I169 HydrophobicContact CG-CG1 4.38Å; I169-N171 PolarHBondContact O-N 3.35Å
170	E	84.8	Confident	89.6	Confident	54 Å²	54	27.8 Å²	27.8	25%	0.252	15%	0.146	S	C	.	.			trans	-71.2	114.4	164.1	-176.4	-179.4	-150.4	0	0	108.8	K55 P57 V58 N59	K55-E170 WeakPolarHBondContact CE-OE1 3.47Å; K55-E170 IonicContact NZ-OE1 2.99Å; K55-E170 PolarHBondContact NZ-OE1 3.48Å; P57-E170 HydrophobicContact CB-CB 4.09Å; V58-E170 PolarHBondContact O-N 3.28Å; V58-E170 VanDerWaalsContact O-N 3.08Å; N59-E170 HydrophobicContact CB-CB 3.94Å; N59-E170 HydrophobicContact CB-CG 4.49Å
171	N	70	Confident	89.3	Confident	171 Å²	171	30 Å²	30	91%	0.914	16%	0.158	S	C	*	.			trans	-77.8	0	176.3	-71.1	-36	0	0	0	112	I169	I169-N171 PolarHBondContact O-N 3.35Å

Retrieved 171 of 171 residues in 378.7 ms (Link to these results)

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