A0A077Z394_TRITR Loading...

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

AlphaFold DB , UniProt , Accession A0A077Z394, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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	34.6	Very low	79.5	Confident	235 Å²	235	93.3 Å²	93.3	100%	1.158	51%	0.508	S	S	*	.				0	128.6	0	-69.8	178.8	-81.2	0	0	105.9	E3	M1-E3 PolarHBondContact O-N 3.49Å
2	A	49	Very low	80.6	Confident	92 Å²	92	89.7 Å²	89.7	76%	0.76	49%	0.491	S	S	*	.			trans	-62.6	128.7	172.8	0	0	0	0	0	107.6	V4	A2-V4 PolarHBondContact O-N 2.78Å; A2-V4 VanDerWaalsContact O-N 3.17Å
3	E	58.9	Low	81.4	Confident	143 Å²	143	84.6 Å²	84.6	67%	0.668	46%	0.464	S	S	*	.			trans	-61.4	120.5	174.6	-77.9	-166.3	145.4	0	0	108.4	M1 H5	M1-E3 PolarHBondContact O-N 3.49Å; E3-H5 PolarHBondContact O-N 3.23Å
4	V	76.3	Confident	82	Confident	140 Å²	140	80.1 Å²	80.1	85%	0.848	44%	0.439	S	S	*	.			trans	-86.1	98.6	-179.8	-178.8	0	0	0	0	107.2	A2 S6	A2-V4 PolarHBondContact O-N 2.78Å; A2-V4 VanDerWaalsContact O-N 3.17Å; V4-S6 PolarHBondContact O-N 2.87Å
5	H	91.2	Very high	82.5	Confident	60 Å²	60	76.5 Å²	76.5	28%	0.278	42%	0.419	S	S	.	.			trans	-66.1	129.1	173.6	-63.6	154.4	0	0	0	110.5	E3 L7 E136 I137 C139	E3-H5 PolarHBondContact O-N 3.23Å; H5-L7 VanDerWaalsContact C-N 3.33Å; H5-E136 IonicContact CE1-OE1 2.68Å; H5-E136 PolarHBondContact CE1-OE1 2.92Å; H5-E136 IonicContact NE2-OE1 3.17Å; H5-E136 PolarHBondContact NE2-OE1 2.86Å; H5-I137 WeakPolarHBondContact CB-O 3.11Å; H5-C139 VanDerWaalsContact CE1-SG 3.58Å
6	S	93.3	Very high	82.7	Confident	26 Å²	26	72.9 Å²	72.9	18%	0.182	40%	0.399	C	S	.	.	S	Bend	trans	-68.7	-35	177	55.6	0	0	0	0	111.7	V4 N40 I137	V4-S6 PolarHBondContact O-N 2.87Å; S6-N40 PolarHBondContact O-N 2.85Å; S6-I137 PolarHBondContact N-O 3.26Å; S6-I137 WeakPolarHBondContact OG-CB 3.41Å; S6-I137 WeakPolarHBondContact OG-CG2 3.25Å
7	L	93.9	Very high	82.6	Confident	4 Å²	4	72.5 Å²	72.5	2%	0.021	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	101.8	-175.5	-149.7	132.2	0	0	0	110	H5 I9 S37 L44 I47 V86 L93 I137	H5-L7 VanDerWaalsContact C-N 3.33Å; L7-I9 HydrophobicContact CD2-CG1 4.02Å; L7-S37 VanDerWaalsContact CD2-CB 3.48Å; L7-L44 HydrophobicContact CD1-CD1 3.53Å; L7-I47 HydrophobicContact CD1-CD1 4.43Å; L7-V86 HydrophobicContact CD1-CG1 4.36Å; L7-L93 HydrophobicContact CD2-CD2 4.49Å; L7-I137 WeakPolarHBondContact CA-O 3.32Å; L7-I137 WeakPolarHBondContact CB-O 3.4Å; L7-I137 HydrophobicContact CD1-CD1 4.31Å; L7-I137 PolarHBondContact N-O 3.4Å
8	K	94.9	Very high	82.8	Confident	124 Å²	124	75.8 Å²	75.8	54%	0.539	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112.2	174.1	179.5	-179.2	177.2	-178.9	0	109.5	S37 I38	K8-S37 CarbonylContact O-C 3.48Å; K8-S37 WeakPolarHBondContact O-CA 3.5Å; K8-S37 WeakPolarHBondContact O-CB 3.34Å; K8-I38 HydrophobicContact CB-CB 4.38Å; K8-I38 PolarHBondContact N-O 2.86Å; K8-I38 PolarHBondContact O-N 3.2Å
9	I	93.3	Very high	83	Confident	44 Å²	44	74.1 Å²	74.1	23%	0.226	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.6	176.1	-62.3	172.3	0	0	0	109.4	L7 V12 V35 L127 L140	L7-I9 HydrophobicContact CD2-CG1 4.02Å; I9-V12 HydrophobicContact CG2-CG2 3.62Å; I9-V35 HydrophobicContact CB-CG1 4.33Å; I9-V35 HydrophobicContact CD1-CG1 4.18Å; I9-V35 HydrophobicContact CG1-CG1 3.88Å; I9-V35 HydrophobicContact CG2-CG1 3.7Å; I9-L127 HydrophobicContact CD1-CD1 4.44Å; I9-L140 HydrophobicContact CD1-CB 3.8Å; I9-L140 HydrophobicContact CD1-CD2 3.52Å; I9-L140 HydrophobicContact CD1-CG 4.25Å
10	T	94.9	Very high	83.2	Confident	82 Å²	82	75 Å²	75	50%	0.503	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-29.6	-179.7	56.3	0	0	0	0	112.5	D36 I38	T10-D36 PolarHBondContact N-O 3.15Å; T10-D36 PolarHBondContact OG1-O 3.07Å; T10-D36 VanDerWaalsContact OG1-O 3.07Å; T10-I38 HydrophobicContact CG2-CD1 4.08Å; T10-I38 HydrophobicContact CG2-CG1 4.04Å
11	N	94.5	Very high	83.4	Confident	76 Å²	76	78.8 Å²	78.8	41%	0.406	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	149.1	178.5	179.7	41.2	0	0	0	110.5	V35 D36	N11-V35 CarbonylContact O-C 3.58Å; N11-V35 WeakPolarHBondContact O-CA 3.1Å; N11-D36 HydrophobicContact CB-CB 4.04Å; N11-D36 PolarHBondContact N-O 2.65Å; N11-D36 PolarHBondContact ND2-OD2 3.34Å; N11-D36 PolarHBondContact O-N 3.43Å
12	V	92.2	Very high	85.6	Confident	50 Å²	50	71.7 Å²	71.7	30%	0.303	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.5	176.5	-178.9	0	0	0	0	108.5	I9 L33 V35	I9-V12 HydrophobicContact CG2-CG2 3.62Å; V12-L33 HydrophobicContact CG1-CD2 3.56Å; V12-V35 HydrophobicContact CG1-CG2 4.39Å; V12-V35 HydrophobicContact CG2-CG1 4.31Å; V12-V35 HydrophobicContact CG2-CG2 4.37Å
13	V	91.7	Very high	86.7	Confident	24 Å²	24	73.6 Å²	73.6	15%	0.145	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.8	171.5	176.2	0	0	0	0	107.8	L15 K21 L33 K34	V13-L15 HydrophobicContact CG1-CD2 3.61Å; V13-L15 HydrophobicContact CG1-CG 4.09Å; V13-K21 HydrophobicContact CG1-CD 3.95Å; V13-K21 VanDerWaalsContact CG1-CE 3.49Å; V13-K21 HydrophobicContact CG1-CG 3.92Å; V13-L33 WeakPolarHBondContact O-CA 3.48Å; V13-K34 HydrophobicContact CB-CB 4.36Å; V13-K34 PolarHBondContact N-O 3.08Å; V13-K34 PolarHBondContact O-N 3.34Å
14	I	89.3	Confident	87.5	Confident	21 Å²	21	70 Å²	70	11%	0.108	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.1	175.3	-30.7	173.5	0	0	0	108.7	Y23 I25 M31 N32 L33 V142	I14-Y23 HydrophobicContact CD1-CE2 4.05Å; I14-Y23 VanDerWaalsContact CD1-OH 3.24Å; I14-Y23 WeakPolarHBondContact CD1-OH 3.38Å; I14-I25 HydrophobicContact CB-CD1 3.39Å; I14-I25 HydrophobicContact CD1-CD1 3.9Å; I14-I25 HydrophobicContact CG1-CD1 4.27Å; I14-I25 HydrophobicContact CG2-CD1 3.17Å; I14-M31 HydrophobicContact CG2-CG 3.45Å; I14-M31 VanDerWaalsContact CG2-CG 3.45Å; I14-M31 HydrophobicContact CG2-SD 3.61Å; I14-N32 CarbonylContact C-O 3.53Å; I14-N32 WeakPolarHBondContact CA-O 3.04Å; I14-L33 HydrophobicContact CB-CD2 4.17Å; I14-L33 HydrophobicContact CD1-CD2 4.47Å; I14-L33 HydrophobicContact CG1-CD2 3.72Å; I14-L33 HydrophobicContact CG2-CD2 3.89Å; I14-L33 HydrophobicContact CG2-CG 4.37Å; I14-V142 HydrophobicContact CD1-CB 4.47Å; I14-V142 HydrophobicContact CD1-CG1 3.39Å; I14-V142 HydrophobicContact CD1-CG2 4.32Å
15	L	89	Confident	87.5	Confident	27 Å²	27	63.6 Å²	63.6	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.2	-176.3	-52.9	173.2	0	0	0	109.1	V13 E20 K21 N32 K34	V13-L15 HydrophobicContact CG1-CD2 3.61Å; V13-L15 HydrophobicContact CG1-CG 4.09Å; L15-E20 WeakPolarHBondContact CA-O 3.29Å; L15-K21 HydrophobicContact CD2-CB 4.46Å; L15-K21 HydrophobicContact CD2-CG 3.49Å; L15-K21 VanDerWaalsContact CD2-CG 3.49Å; L15-N32 HydrophobicContact CB-CB 4.01Å; L15-N32 PolarHBondContact N-O 2.99Å; L15-N32 PolarHBondContact O-N 3.46Å; L15-K34 HydrophobicContact CD1-CB 4.38Å
16	N	85.9	Confident	86.8	Confident	19 Å²	19	63 Å²	63	10%	0.102	33%	0.326	C	S	.	.			trans	-72.3	-174.4	172.6	71.1	2.4	0	0	0	111.4	H18 G19 E20 N32	N16-H18 PolarHBondContact O-N 3.43Å; N16-H18 WeakPolarHBondContact OD1-CA 3.21Å; N16-H18 WeakPolarHBondContact OD1-CB 3.46Å; N16-H18 PolarHBondContact OD1-N 2.03Å; N16-G19 PolarHBondContact O-N 2.88Å; N16-G19 PolarHBondContact OD1-N 2.75Å; N16-G19 VanDerWaalsContact OD1-N 3.11Å; N16-E20 PolarHBondContact N-O 3.2Å; N16-E20 PolarHBondContact ND2-OE2 3.35Å; N16-E20 WeakPolarHBondContact OD1-CB 3.04Å; N16-E20 PolarHBondContact OD1-N 3.48Å; N16-E20 PolarHBondContact OD1-O 3.31Å; N16-N32 PolarHBondContact O-ND2 3.44Å
17	E	82.3	Confident	85.9	Confident	66 Å²	66	61.8 Å²	61.8	31%	0.308	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20	178.3	68.9	-90	-141.9	0	0	113.7	R29 L30	E17-R29 WeakPolarHBondContact OE1-CD 3.07Å; E17-R29 IonicContact OE1-CZ 3.7Å; E17-R29 IonicContact OE1-NE 2.82Å; E17-R29 IonicContact OE1-NH1 3.31Å; E17-R29 PolarHBondContact OE1-NH1 3.45Å; E17-L30 PolarHBondContact N-O 2.89Å
18	H	86.1	Confident	85	Confident	132 Å²	132	63.6 Å²	63.6	61%	0.611	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	0.2	178.1	-59.3	-61.9	0	0	0	113	N16 E20	N16-H18 PolarHBondContact O-N 3.43Å; N16-H18 WeakPolarHBondContact OD1-CA 3.21Å; N16-H18 WeakPolarHBondContact OD1-CB 3.46Å; N16-H18 PolarHBondContact OD1-N 2.03Å; H18-E20 HydrophobicContact CB-CG 4Å
19	G	85.3	Confident	84.2	Confident	43 Å²	43	63.9 Å²	63.9	44%	0.443	32%	0.322	S	S	.	.	S	Bend	trans	79.5	17.2	-178.1	0	0	0	0	0	114	N16	N16-G19 PolarHBondContact O-N 2.88Å; N16-G19 PolarHBondContact OD1-N 2.75Å; N16-G19 VanDerWaalsContact OD1-N 3.11Å
20	E	87.7	Confident	83.6	Confident	92 Å²	92	64.6 Å²	64.6	43%	0.43	33%	0.326	S	S	.	.			trans	-101.1	148.1	-175.5	-52.3	168.3	140.3	0	0	111.5	L15 N16 H18 N22	L15-E20 WeakPolarHBondContact CA-O 3.29Å; N16-E20 PolarHBondContact N-O 3.2Å; N16-E20 PolarHBondContact ND2-OE2 3.35Å; N16-E20 WeakPolarHBondContact OD1-CB 3.04Å; N16-E20 PolarHBondContact OD1-N 3.48Å; N16-E20 PolarHBondContact OD1-O 3.31Å; H18-E20 HydrophobicContact CB-CG 4Å; E20-N22 VanDerWaalsContact C-N 3.26Å; E20-N22 PolarHBondContact O-N 3.09Å; E20-N22 PolarHBondContact OE2-ND2 2.97Å
21	K	87.5	Confident	83.2	Confident	154 Å²	154	60.7 Å²	60.7	67%	0.67	30%	0.302	S	S	*	.			trans	-82.8	67	175	-63	-174.9	-169.4	-164.7	0	111	V13 L15	V13-K21 HydrophobicContact CG1-CD 3.95Å; V13-K21 VanDerWaalsContact CG1-CE 3.49Å; V13-K21 HydrophobicContact CG1-CG 3.92Å; L15-K21 HydrophobicContact CD2-CB 4.46Å; L15-K21 HydrophobicContact CD2-CG 3.49Å; L15-K21 VanDerWaalsContact CD2-CG 3.49Å
22	N	79.9	Confident	83	Confident	86 Å²	86	58.3 Å²	58.3	46%	0.46	29%	0.29	S	S	.	.			trans	-105.9	117.3	-179.8	-74.2	-28	0	0	0	110.9	E20	E20-N22 VanDerWaalsContact C-N 3.26Å; E20-N22 PolarHBondContact O-N 3.09Å; E20-N22 PolarHBondContact OE2-ND2 2.97Å
23	Y	73.4	Confident	82.9	Confident	133 Å²	133	56 Å²	56	52%	0.522	28%	0.276	S	S	.	.	S	Bend	trans	-110.7	144.3	173.7	-113.8	-91.8	0	0	0	109.4	I14 I25 E143 S144	I14-Y23 HydrophobicContact CD1-CE2 4.05Å; I14-Y23 VanDerWaalsContact CD1-OH 3.24Å; I14-Y23 WeakPolarHBondContact CD1-OH 3.38Å; Y23-I25 HydrophobicContact CD2-CD1 4.19Å; Y23-I25 HydrophobicContact CD2-CG1 4.16Å; Y23-I25 HydrophobicContact CE2-CD1 3.8Å; Y23-I25 HydrophobicContact CE2-CG1 4.16Å; Y23-I25 HydrophobicContact CG-CG1 4.42Å; Y23-E143 PolarHBondContact OH-O 2.96Å; Y23-S144 WeakPolarHBondContact CE1-OG 3.4Å
24	P	75.8	Confident	83	Confident	66 Å²	66	59 Å²	59	43%	0.429	29%	0.287	S	S	.	.	S	Bend	cis	-63.7	155.6	-7	26.5	-37.3	0	0	0	114.7	K145	P24-K145 WeakPolarHBondContact CB-O 3.04Å
25	I	76.7	Confident	83.2	Confident	6 Å²	6	58 Å²	58	3%	0.031	28%	0.282	C	S	.	.			trans	-92.8	131.9	-179.8	-59.2	-176	0	0	0	109.9	I14 Y23 M27 M31	I14-I25 HydrophobicContact CB-CD1 3.39Å; I14-I25 HydrophobicContact CD1-CD1 3.9Å; I14-I25 HydrophobicContact CG1-CD1 4.27Å; I14-I25 HydrophobicContact CG2-CD1 3.17Å; Y23-I25 HydrophobicContact CD2-CD1 4.19Å; Y23-I25 HydrophobicContact CD2-CG1 4.16Å; Y23-I25 HydrophobicContact CE2-CD1 3.8Å; Y23-I25 HydrophobicContact CE2-CG1 4.16Å; Y23-I25 HydrophobicContact CG-CG1 4.42Å; I25-M27 PolarHBondContact O-N 2.9Å; I25-M31 HydrophobicContact CG2-CG 4.16Å; I25-M31 HydrophobicContact CG2-SD 4.35Å
26	N	76.2	Confident	83.6	Confident	48 Å²	48	59 Å²	59	26%	0.257	29%	0.287	S	S	.	.			trans	-83.1	97.7	173.7	-173.3	-5.2	0	0	0	110.3	K28 R29	N26-K28 PolarHBondContact O-N 3.29Å; N26-K28 VanDerWaalsContact O-N 3.13Å; N26-K28 VanDerWaalsContact OD1-CB 3.28Å; N26-K28 WeakPolarHBondContact OD1-CB 3.28Å; N26-K28 PolarHBondContact OD1-N 2.96Å; N26-R29 PolarHBondContact O-N 2.85Å; N26-R29 VanDerWaalsContact O-N 3.15Å
27	M	74.6	Confident	84	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.4	175.8	-72.5	-159.8	79.7	0	0	114.5	I25 R29 L53 F99 I106 L109 Y121 M123	I25-M27 PolarHBondContact O-N 2.9Å; M27-R29 PolarHBondContact O-N 3.07Å; M27-L53 HydrophobicContact CE-CD2 3.97Å; M27-F99 HydrophobicContact CE-CD2 3.67Å; M27-F99 HydrophobicContact CE-CE2 3.59Å; M27-F99 HydrophobicContact CE-CG 4.16Å; M27-F99 HydrophobicContact CE-CZ 4.04Å; M27-F99 WeakPolarHBondContact O-CB 3.4Å; M27-I106 HydrophobicContact CB-CG2 3.65Å; M27-I106 HydrophobicContact CE-CD1 3.72Å; M27-I106 HydrophobicContact SD-CD1 4.11Å; M27-I106 HydrophobicContact SD-CG2 4.46Å; M27-L109 HydrophobicContact SD-CD1 3.92Å; M27-Y121 HydrophobicContact CE-CD2 4.43Å; M27-Y121 HydrophobicContact CE-CE2 3.99Å; M27-Y121 HydrophobicContact CG-CD2 4.48Å; M27-Y121 HydrophobicContact CG-CE1 3.93Å; M27-Y121 HydrophobicContact CG-CE2 3.63Å; M27-Y121 WeakPolarHBondContact CG-OH 3.38Å; M27-Y121 HydrophobicContact SD-CD1 4.26Å; M27-Y121 HydrophobicContact SD-CD2 3.38Å; M27-Y121 WeakPolarHBondContact SD-CD2 3.31Å; M27-Y121 HydrophobicContact SD-CE1 3.92Å; M27-Y121 HydrophobicContact SD-CE2 3.02Å; M27-Y121 WeakPolarHBondContact SD-CE2 3.24Å; M27-Y121 HydrophobicContact SD-CG 3.99Å; M27-M123 HydrophobicContact CE-CE 4.44Å; M27-M123 HydrophobicContact CE-CG 4.14Å; M27-M123 HydrophobicContact CE-SD 3.43Å; M27-M123 WeakPolarHBondContact CE-SD 3.25Å
28	K	73.7	Confident	84.7	Confident	42 Å²	42	57.2 Å²	57.2	18%	0.183	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-2.7	178	-55.7	173.3	-172.6	159.4	0	111.9	N26 S100 E103 I106 N148	N26-K28 PolarHBondContact O-N 3.29Å; N26-K28 VanDerWaalsContact O-N 3.13Å; N26-K28 VanDerWaalsContact OD1-CB 3.28Å; N26-K28 WeakPolarHBondContact OD1-CB 3.28Å; N26-K28 PolarHBondContact OD1-N 2.96Å; K28-S100 WeakPolarHBondContact O-CB 3.05Å; K28-E103 HydrophobicContact CD-CG 4.4Å; K28-E103 HydrophobicContact CG-CG 4.23Å; K28-I106 HydrophobicContact CG-CG2 4.28Å; K28-N148 PolarHBondContact NZ-OD1 3.38Å
29	R	78.1	Confident	85.1	Confident	130 Å²	130	51 Å²	51	49%	0.491	25%	0.251	S	S	.	.	S	Bend	trans	-125.5	172.1	-178.8	-60.1	-167.6	174.8	-159.4	-4.1	110.4	E17 N26 M27 M31	E17-R29 WeakPolarHBondContact OE1-CD 3.07Å; E17-R29 IonicContact OE1-CZ 3.7Å; E17-R29 IonicContact OE1-NE 2.82Å; E17-R29 IonicContact OE1-NH1 3.31Å; E17-R29 PolarHBondContact OE1-NH1 3.45Å; N26-R29 PolarHBondContact O-N 2.85Å; N26-R29 VanDerWaalsContact O-N 3.15Å; M27-R29 PolarHBondContact O-N 3.07Å; R29-M31 PolarHBondContact O-N 2.94Å
30	L	81.5	Confident	85.6	Confident	59 Å²	59	54.4 Å²	54.4	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	125.1	176.6	-170.8	143	0	0	0	110.8	E17 N32 Y97 D98	E17-L30 PolarHBondContact N-O 2.89Å; L30-N32 VanDerWaalsContact CD2-CG 3.49Å; L30-N32 VanDerWaalsContact CD2-ND2 3.28Å; L30-N32 WeakPolarHBondContact CD2-ND2 3.25Å; L30-N32 WeakPolarHBondContact CD2-OD1 3.44Å; L30-Y97 WeakPolarHBondContact CA-O 3.45Å; L30-D98 HydrophobicContact CD1-CB 4.38Å
31	M	86.4	Confident	85.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.1	176.5	-177.5	-174.3	70.1	0	0	109.1	I14 I25 R29 L33 Y97 F99 M123	I14-M31 HydrophobicContact CG2-CG 3.45Å; I14-M31 VanDerWaalsContact CG2-CG 3.45Å; I14-M31 HydrophobicContact CG2-SD 3.61Å; I25-M31 HydrophobicContact CG2-CG 4.16Å; I25-M31 HydrophobicContact CG2-SD 4.35Å; R29-M31 PolarHBondContact O-N 2.94Å; M31-L33 HydrophobicContact CE-CD1 3.82Å; M31-L33 HydrophobicContact CE-CG 4.16Å; M31-Y97 HydrophobicContact CE-CD2 3.7Å; M31-Y97 PolarHBondContact N-O 3.37Å; M31-Y97 PolarHBondContact O-N 3.17Å; M31-F99 HydrophobicContact CE-CE2 4.09Å; M31-M123 HydrophobicContact CE-CE 3.43Å; M31-M123 VanDerWaalsContact CE-CE 3.43Å; M31-M123 HydrophobicContact CE-SD 3.83Å; M31-M123 HydrophobicContact SD-CE 3.61Å; M31-M123 HydrophobicContact SD-SD 4.48Å
32	N	89.1	Confident	86.2	Confident	26 Å²	26	48 Å²	48	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	178.8	-69.6	-50.9	0	0	0	109.7	I14 L15 N16 L30 R96	I14-N32 CarbonylContact C-O 3.53Å; I14-N32 WeakPolarHBondContact CA-O 3.04Å; L15-N32 HydrophobicContact CB-CB 4.01Å; L15-N32 PolarHBondContact N-O 2.99Å; L15-N32 PolarHBondContact O-N 3.46Å; N16-N32 PolarHBondContact O-ND2 3.44Å; L30-N32 VanDerWaalsContact CD2-CG 3.49Å; L30-N32 VanDerWaalsContact CD2-ND2 3.28Å; L30-N32 WeakPolarHBondContact CD2-ND2 3.25Å; L30-N32 WeakPolarHBondContact CD2-OD1 3.44Å; N32-R96 VanDerWaalsContact OD1-CD 3.25Å; N32-R96 WeakPolarHBondContact OD1-CD 3.24Å; N32-R96 WeakPolarHBondContact OD1-CG 3.21Å
33	L	91.5	Very high	87	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.2	171.7	-71.5	154.7	0	0	0	108.8	V12 V13 I14 M31 V35 E94 L95 Y97 I125 L140 V142	V12-L33 HydrophobicContact CG1-CD2 3.56Å; V13-L33 WeakPolarHBondContact O-CA 3.48Å; I14-L33 HydrophobicContact CB-CD2 4.17Å; I14-L33 HydrophobicContact CD1-CD2 4.47Å; I14-L33 HydrophobicContact CG1-CD2 3.72Å; I14-L33 HydrophobicContact CG2-CD2 3.89Å; I14-L33 HydrophobicContact CG2-CG 4.37Å; M31-L33 HydrophobicContact CE-CD1 3.82Å; M31-L33 HydrophobicContact CE-CG 4.16Å; L33-V35 HydrophobicContact CB-CG2 4.1Å; L33-E94 WeakPolarHBondContact O-CA 3.4Å; L33-L95 HydrophobicContact CB-CB 4.21Å; L33-L95 PolarHBondContact N-O 3.39Å; L33-L95 PolarHBondContact O-N 3.31Å; L33-Y97 HydrophobicContact CD1-CD2 3.71Å; L33-Y97 HydrophobicContact CD1-CE2 3.38Å; L33-I125 HydrophobicContact CD1-CD1 3.95Å; L33-L140 HydrophobicContact CD1-CD1 4.49Å; L33-V142 HydrophobicContact CD2-CG2 3.86Å
34	K	93.3	Very high	87.9	Confident	88 Å²	88	40.2 Å²	40.2	38%	0.383	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110	168.8	-170.8	172.2	-174.1	170.1	0	108.1	V13 L15 T92	V13-K34 HydrophobicContact CB-CB 4.36Å; V13-K34 PolarHBondContact N-O 3.08Å; V13-K34 PolarHBondContact O-N 3.34Å; L15-K34 HydrophobicContact CD1-CB 4.38Å; K34-T92 HydrophobicContact CD-CG2 4.14Å; K34-T92 HydrophobicContact CG-CG2 3.56Å
35	V	94.2	Very high	88.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.1	-169.9	-178.5	0	0	0	0	109	I9 N11 V12 L33 T92 L93 L95 L140	I9-V35 HydrophobicContact CB-CG1 4.33Å; I9-V35 HydrophobicContact CD1-CG1 4.18Å; I9-V35 HydrophobicContact CG1-CG1 3.88Å; I9-V35 HydrophobicContact CG2-CG1 3.7Å; N11-V35 CarbonylContact O-C 3.58Å; N11-V35 WeakPolarHBondContact O-CA 3.1Å; V12-V35 HydrophobicContact CG1-CG2 4.39Å; V12-V35 HydrophobicContact CG2-CG1 4.31Å; V12-V35 HydrophobicContact CG2-CG2 4.37Å; L33-V35 HydrophobicContact CB-CG2 4.1Å; V35-T92 CarbonylContact O-C 3.46Å; V35-T92 WeakPolarHBondContact O-CA 3.4Å; V35-L93 HydrophobicContact CB-CB 4.25Å; V35-L93 PolarHBondContact N-O 3.34Å; V35-L93 PolarHBondContact O-N 2.88Å; V35-L95 HydrophobicContact CG2-CD1 4.26Å; V35-L140 HydrophobicContact CG2-CD2 4.48Å
36	D	96	Very high	89.7	Confident	48 Å²	48	42.8 Å²	42.8	26%	0.257	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.6	168.7	-54.9	-49	0	0	0	108.3	T10 N11 T92	T10-D36 PolarHBondContact N-O 3.15Å; T10-D36 PolarHBondContact OG1-O 3.07Å; T10-D36 VanDerWaalsContact OG1-O 3.07Å; N11-D36 HydrophobicContact CB-CB 4.04Å; N11-D36 PolarHBondContact N-O 2.65Å; N11-D36 PolarHBondContact ND2-OD2 3.34Å; N11-D36 PolarHBondContact O-N 3.43Å; D36-T92 PolarHBondContact OD1-OG1 2.89Å
37	S	94.9	Very high	90.6	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.6	-172.4	61.3	0	0	0	0	112.4	L7 K8 N90 N91	L7-S37 VanDerWaalsContact CD2-CB 3.48Å; K8-S37 CarbonylContact O-C 3.48Å; K8-S37 WeakPolarHBondContact O-CA 3.5Å; K8-S37 WeakPolarHBondContact O-CB 3.34Å; S37-N90 WeakPolarHBondContact O-CA 3.19Å; S37-N91 PolarHBondContact N-O 2.84Å; S37-N91 PolarHBondContact O-N 2.87Å; S37-N91 VanDerWaalsContact O-O 3.05Å; S37-N91 PolarHBondContact OG-O 2.8Å
38	I	96.3	Very high	91.6	Very high	44 Å²	44	41.4 Å²	41.4	23%	0.226	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.3	172.6	-48.1	-178.6	0	0	0	107.4	K8 T10 G89 N90	K8-I38 HydrophobicContact CB-CB 4.38Å; K8-I38 PolarHBondContact N-O 2.86Å; K8-I38 PolarHBondContact O-N 3.2Å; T10-I38 HydrophobicContact CG2-CD1 4.08Å; T10-I38 HydrophobicContact CG2-CG1 4.04Å; I38-G89 CarbonylContact C-O 3.52Å; I38-G89 WeakPolarHBondContact CA-O 3.5Å; I38-N90 WeakPolarHBondContact CG1-OD1 3.44Å
39	N	95.7	Very high	92.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.7	173.7	-178.7	9.9	0	0	0	109.4	G41 S42 V86 K87 P88 G89	N39-G41 PolarHBondContact OD1-N 2.84Å; N39-S42 PolarHBondContact ND2-O 3.13Å; N39-V86 HydrophobicContact CB-CG1 4.15Å; N39-V86 PolarHBondContact ND2-O 2.9Å; N39-V86 VanDerWaalsContact ND2-O 3.09Å; N39-K87 WeakPolarHBondContact CB-O 3.35Å; N39-P88 CarbonylContact O-C 3.43Å; N39-P88 VanDerWaalsContact O-CA 3.31Å; N39-P88 WeakPolarHBondContact O-CA 3.24Å; N39-G89 PolarHBondContact N-O 3.07Å; N39-G89 PolarHBondContact O-N 3.3Å
40	N	95.7	Very high	93.4	Very high	115 Å²	115	34.6 Å²	34.6	62%	0.615	20%	0.199	S	C	*	.			trans	-95.3	0.9	176.9	-57.8	-63	0	0	0	112.9	S6	S6-N40 PolarHBondContact O-N 2.85Å
41	G	93.7	Very high	93.9	Very high	30 Å²	30	31.8 Å²	31.8	31%	0.309	18%	0.184	S	C	.	.	S	Bend	trans	-103	-153.3	-179.4	0	0	0	0	0	113.1	N39 P88	N39-G41 PolarHBondContact OD1-N 2.84Å; G41-P88 WeakPolarHBondContact O-CG 3.42Å
42	S	93.7	Very high	94.2	Very high	81 Å²	81	35.4 Å²	35.4	57%	0.566	20%	0.204	S	C	*	.	S	Bend	trans	-72.9	168.8	171.7	49.2	0	0	0	0	111.8	N39 L44	N39-S42 PolarHBondContact ND2-O 3.13Å; S42-L44 PolarHBondContact O-N 2.95Å
43	T	95.5	Very high	94.3	Very high	54 Å²	54	34.3 Å²	34.3	33%	0.331	20%	0.198	S	C	.	.			trans	-61.1	130.8	170.2	-61.9	0	0	0	0	109.5	P85 V86 K87	T43-P85 HydrophobicContact CG2-CB 3.63Å; T43-V86 WeakPolarHBondContact CA-O 3.44Å; T43-K87 HydrophobicContact CG2-CG 4.46Å
44	L	94.2	Very high	94.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-100.2	108.8	177.7	-58.9	165.4	0	0	0	108.8	L7 S42 I47 P85 V86 D129 I137	L7-L44 HydrophobicContact CD1-CD1 3.53Å; S42-L44 PolarHBondContact O-N 2.95Å; L44-I47 HydrophobicContact CB-CG1 4.49Å; L44-I47 HydrophobicContact CD1-CD1 4.36Å; L44-P85 CarbonylContact O-C 3.6Å; L44-P85 WeakPolarHBondContact O-CA 3.29Å; L44-V86 HydrophobicContact CB-CB 4.24Å; L44-V86 HydrophobicContact CD1-CB 4.46Å; L44-V86 PolarHBondContact N-O 2.9Å; L44-V86 PolarHBondContact O-N 3.01Å; L44-D129 HydrophobicContact CD2-CB 4.31Å; L44-I137 HydrophobicContact CD1-CD1 3.55Å; L44-I137 HydrophobicContact CD2-CD1 4.26Å; L44-I137 HydrophobicContact CD2-CG2 3.97Å; L44-I137 HydrophobicContact CG-CD1 4.48Å
45	N	95	Very high	93.8	Very high	84 Å²	84	34.7 Å²	34.7	45%	0.449	20%	0.199	S	C	.	.	S	Bend	trans	-79.5	-24.1	-177.7	-63.7	-45.7	0	0	0	113	C84 E131	N45-C84 WeakPolarHBondContact O-CB 3.26Å; N45-E131 WeakPolarHBondContact CB-OE1 3.44Å; N45-E131 PolarHBondContact ND2-OE1 2.8Å; N45-E131 PolarHBondContact ND2-OE2 2.82Å
46	S	94.9	Very high	93.4	Very high	42 Å²	42	37.6 Å²	37.6	29%	0.294	21%	0.211	S	C	.	.			trans	-151.9	154.7	173.5	60	0	0	0	0	109.7	G130	S46-G130 PolarHBondContact O-N 3.14Å; S46-G130 VanDerWaalsContact OG-CA 3.29Å; S46-G130 WeakPolarHBondContact OG-CA 3.24Å
47	I	94.7	Very high	93	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.6	176.5	-61.2	175.9	0	0	0	107.8	L7 L44 C81 V86 L93 L127 R128 I137	L7-I47 HydrophobicContact CD1-CD1 4.43Å; L44-I47 HydrophobicContact CB-CG1 4.49Å; L44-I47 HydrophobicContact CD1-CD1 4.36Å; I47-C81 HydrophobicContact CB-CB 4.02Å; I47-C81 HydrophobicContact CG1-CB 4.38Å; I47-V86 HydrophobicContact CD1-CG2 4.19Å; I47-L93 HydrophobicContact CD1-CD1 3.91Å; I47-L93 HydrophobicContact CD1-CD2 3.91Å; I47-L127 HydrophobicContact CG2-CB 4.02Å; I47-L127 HydrophobicContact CG2-CD2 4.12Å; I47-R128 WeakPolarHBondContact CA-O 3.45Å; I47-I137 HydrophobicContact CB-CD1 4.48Å; I47-I137 HydrophobicContact CD1-CD1 3.9Å; I47-I137 HydrophobicContact CG1-CD1 3.78Å; I47-I137 HydrophobicContact CG2-CD1 4.05Å
48	I	94.8	Very high	92.3	Very high	15 Å²	15	36 Å²	36	8%	0.077	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.1	171.8	-68.3	172.8	0	0	0	108.1	G77 I78 K79 L127 R128 P133	I48-G77 VanDerWaalsContact CG2-CA 3.47Å; I48-I78 CarbonylContact C-O 3.53Å; I48-I78 WeakPolarHBondContact CA-O 3.35Å; I48-K79 HydrophobicContact CG1-CG 3.95Å; I48-L127 CarbonylContact O-C 2.97Å; I48-L127 WeakPolarHBondContact O-CA 3.48Å; I48-R128 HydrophobicContact CB-CB 4.36Å; I48-R128 PolarHBondContact N-O 3.3Å; I48-R128 PolarHBondContact O-N 2.8Å; I48-P133 HydrophobicContact CD1-CB 4.31Å; I48-P133 HydrophobicContact CD1-CG 3.98Å
49	A	94.7	Very high	91.4	Very high	3 Å²	3	38 Å²	38	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.1	175.5	0	0	0	0	0	111.2	G77 I78 Y97 I125 A126 L127	A49-G77 PolarHBondContact O-N 2.89Å; A49-I78 HydrophobicContact CB-CB 4.4Å; A49-I78 PolarHBondContact N-O 2.85Å; A49-I78 PolarHBondContact O-N 3.34Å; A49-Y97 HydrophobicContact CB-CE1 3.78Å; A49-Y97 VanDerWaalsContact CB-OH 3.24Å; A49-Y97 WeakPolarHBondContact CB-OH 3.5Å; A49-I125 HydrophobicContact CB-CG2 4.29Å; A49-A126 WeakPolarHBondContact CA-O 3.35Å; A49-L127 HydrophobicContact CB-CD2 4.19Å
50	D	94.5	Very high	90.5	Very high	26 Å²	26	43.8 Å²	43.8	14%	0.139	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.9	165.4	-61.1	-32.4	0	0	0	109	H76 G77 I125 A126 R128	D50-H76 HydrophobicContact CB-CB 4.35Å; D50-H76 VanDerWaalsContact OD1-CA 3.28Å; D50-H76 WeakPolarHBondContact OD1-CA 3.21Å; D50-H76 WeakPolarHBondContact OD1-CB 3.5Å; D50-H76 IonicContact OD1-CG 3.88Å; D50-G77 PolarHBondContact OD1-N 2.85Å; D50-I125 WeakPolarHBondContact O-CA 3.24Å; D50-A126 HydrophobicContact CB-CB 4.43Å; D50-A126 PolarHBondContact N-O 3.07Å; D50-A126 PolarHBondContact O-N 3.02Å; D50-R128 WeakPolarHBondContact OD2-CD 3.12Å; D50-R128 IonicContact OD2-CZ 3.73Å; D50-R128 IonicContact OD2-NE 2.73Å; D50-R128 PolarHBondContact OD2-NE 3.02Å
51	I	93.4	Very high	89.4	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.3	-175	-48.9	-175.8	0	0	0	110.3	L53 L75 I78 Y97 F99 M123 N124 I125	I51-L53 HydrophobicContact CG2-CD2 4.48Å; I51-L75 HydrophobicContact CB-CB 4.06Å; I51-L75 PolarHBondContact N-O 2.6Å; I51-L75 WeakPolarHBondContact O-CB 3.13Å; I51-I78 HydrophobicContact CD1-CD1 3.82Å; I51-I78 HydrophobicContact CG1-CD1 4.19Å; I51-Y97 HydrophobicContact CD1-CD1 3.72Å; I51-Y97 HydrophobicContact CD1-CD2 4.05Å; I51-Y97 HydrophobicContact CD1-CE1 3.74Å; I51-Y97 HydrophobicContact CD1-CE2 4.03Å; I51-Y97 HydrophobicContact CD1-CG 3.89Å; I51-F99 HydrophobicContact CD1-CE1 4Å; I51-F99 HydrophobicContact CD1-CZ 3.83Å; I51-M123 HydrophobicContact CG2-CB 4.07Å; I51-M123 HydrophobicContact CG2-CG 4.07Å; I51-N124 WeakPolarHBondContact CA-O 3.41Å; I51-I125 HydrophobicContact CD1-CG1 4.4Å; I51-I125 HydrophobicContact CG1-CG1 4.09Å; I51-I125 HydrophobicContact CG1-CG2 4.49Å; I51-I125 HydrophobicContact CG2-CG1 4.13Å
52	D	92.9	Very high	88.8	Confident	77 Å²	77	49 Å²	49	41%	0.412	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.5	169.7	-66.8	-39.1	0	0	0	110.2	H76 N124	D52-H76 IonicContact OD1-CE1 2.9Å; D52-H76 IonicContact OD1-NE2 3.83Å; D52-H76 PolarHBondContact OD1-NE2 3.34Å; D52-N124 HydrophobicContact CB-CB 4.47Å; D52-N124 PolarHBondContact N-O 2.9Å; D52-N124 PolarHBondContact O-N 3.28Å
53	L	90.1	Very high	88.3	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.2	179.8	-69	173.7	0	0	0	111	M27 I51 V69 T71 L75 L105 I106 L109 M123	M27-L53 HydrophobicContact CE-CD2 3.97Å; I51-L53 HydrophobicContact CG2-CD2 4.48Å; L53-V69 HydrophobicContact CB-CB 3.97Å; L53-V69 HydrophobicContact CB-CG2 4.39Å; L53-V69 PolarHBondContact O-N 3.26Å; L53-T71 HydrophobicContact CB-CG2 4.22Å; L53-T71 HydrophobicContact CD1-CG2 4.15Å; L53-T71 HydrophobicContact CG-CG2 4.25Å; L53-L75 HydrophobicContact CD1-CD1 3.4Å; L53-L75 VanDerWaalsContact CD1-CD1 3.4Å; L53-L75 HydrophobicContact CG-CD1 3.73Å; L53-L105 HydrophobicContact CD1-CD2 4.03Å; L53-L105 HydrophobicContact CD1-CG 4.45Å; L53-I106 HydrophobicContact CD1-CD1 3.82Å; L53-L109 HydrophobicContact CB-CD2 4.49Å; L53-L109 HydrophobicContact CD1-CD1 4.21Å; L53-L109 HydrophobicContact CD2-CD1 4.25Å; L53-M123 HydrophobicContact CD2-CG 3.45Å; L53-M123 VanDerWaalsContact CD2-CG 3.45Å; L53-M123 HydrophobicContact CD2-SD 4.4Å
54	Q	89.3	Confident	87.9	Confident	47 Å²	47	51.1 Å²	51.1	22%	0.22	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147	171.1	-62.3	-179.4	-15.8	0	0	110.2	W66 H67 Y121 A122 N124	Q54-W66 HydrophobicContact CB-CE3 4.13Å; Q54-H67 CarbonylContact C-O 3.49Å; Q54-H67 WeakPolarHBondContact CA-O 3.19Å; Q54-H67 WeakPolarHBondContact CB-O 3.16Å; Q54-Y121 CarbonylContact O-C 3.57Å; Q54-Y121 WeakPolarHBondContact O-CA 3.17Å; Q54-Y121 VanDerWaalsContact O-CB 3.31Å; Q54-Y121 WeakPolarHBondContact O-CB 3.36Å; Q54-A122 HydrophobicContact CB-CB 4.35Å; Q54-A122 PolarHBondContact N-O 2.78Å; Q54-A122 PolarHBondContact O-N 2.8Å; Q54-N124 PolarHBondContact NE2-ND2 3.29Å
55	Y	86.3	Confident	87.6	Confident	52 Å²	52	52 Å²	52	20%	0.204	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153	165.4	68.8	-84.7	0	0	0	110.1	H67 V69	Y55-H67 HydrophobicContact CD1-CB 4.06Å; Y55-H67 HydrophobicContact CD2-CB 4.49Å; Y55-H67 HydrophobicContact CE1-CB 3.54Å; Y55-H67 HydrophobicContact CE2-CB 4.02Å; Y55-H67 AromaticContact CE2-CD2 3.82Å; Y55-H67 PolarHBondContact N-O 2.81Å; Y55-H67 PolarHBondContact O-N 2.73Å; Y55-V69 HydrophobicContact CD1-CG2 3.74Å; Y55-V69 HydrophobicContact CE1-CG2 4.4Å
56	Y	86	Confident	87.3	Confident	61 Å²	61	52.2 Å²	52.2	24%	0.239	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.7	169.9	-164.6	-93.6	0	0	0	109.5	C64 G65 W66 L117 V120	Y56-C64 HydrophobicContact CE1-CB 3.85Å; Y56-G65 WeakPolarHBondContact CA-O 3.39Å; Y56-W66 AromaticContact CD2-CD2 3.73Å; Y56-W66 HydrophobicContact CD2-CD2 3.73Å; Y56-W66 AromaticContact CD2-CE2 3.68Å; Y56-W66 HydrophobicContact CD2-CE3 4.11Å; Y56-W66 HydrophobicContact CD2-CG 4.13Å; Y56-W66 HydrophobicContact CD2-CH2 4.42Å; Y56-W66 HydrophobicContact CD2-CZ2 4.06Å; Y56-W66 HydrophobicContact CD2-CZ3 4.44Å; Y56-L117 HydrophobicContact CD1-CB 4.08Å; Y56-L117 HydrophobicContact CD1-CD1 4.29Å; Y56-L117 HydrophobicContact CE1-CD1 4.21Å; Y56-V120 PolarHBondContact N-O 3.37Å
57	G	85.7	Confident	87	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-169.6	-176.4	0	0	0	0	0	111.8	C64 G65 H67	G57-C64 CarbonylContact O-C 3.51Å; G57-C64 VanDerWaalsContact O-CA 3.26Å; G57-C64 WeakPolarHBondContact O-CA 3.28Å; G57-G65 PolarHBondContact N-O 3.18Å; G57-G65 PolarHBondContact O-N 3.39Å; G57-G65 VanDerWaalsContact O-O 3.13Å; G57-H67 PolarHBondContact O-CD2 3.34Å; G57-H67 PolarHBondContact O-NE2 2.9Å; G57-H67 VanDerWaalsContact O-NE2 3.07Å
58	S	81	Confident	86.7	Confident	17 Å²	17	54.5 Å²	54.5	12%	0.119	29%	0.294	C	S	.	.			trans	-114.9	144.8	168.6	55.6	0	0	0	0	109.6	G62 K114 C115	S58-G62 VanDerWaalsContact CB-O 3.29Å; S58-G62 WeakPolarHBondContact CB-O 3.46Å; S58-K114 PolarHBondContact OG-O 2.79Å; S58-C115 PolarHBondContact N-SG 2.76Å; S58-C115 VanDerWaalsContact N-SG 3.4Å
59	I	77.2	Confident	86.3	Confident	85 Å²	85	54.5 Å²	54.5	44%	0.436	29%	0.294	S	S	.	.	S	Bend	trans	-95.7	119.8	168.7	-65.2	174.3	0	0	0	107.5	W61 G62 H67	I59-W61 PolarHBondContact O-N 2.93Å; I59-G62 PolarHBondContact O-N 2.82Å; I59-H67 HydrophobicContact CD1-CB 4.32Å; I59-H67 VanDerWaalsContact CD1-ND1 3.25Å; I59-H67 WeakPolarHBondContact CD1-ND1 3.34Å
60	L	76.4	Confident	85.9	Confident	124 Å²	124	58.2 Å²	58.2	65%	0.649	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-93.3	178.7	-65.9	163.2	0	0	0	113.4
61	W	73.9	Confident	85.5	Confident	223 Å²	223	57.3 Å²	57.3	85%	0.845	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	11.5	-179.9	46.9	76.7	0	0	0	112	I59	I59-W61 PolarHBondContact O-N 2.93Å
62	G	80.2	Confident	85.1	Confident	32 Å²	32	65.9 Å²	65.9	33%	0.33	35%	0.351	S	S	.	.	S	Bend	trans	-72.4	167.5	177.2	0	0	0	0	0	113.2	S58 I59	S58-G62 VanDerWaalsContact CB-O 3.29Å; S58-G62 WeakPolarHBondContact CB-O 3.46Å; I59-G62 PolarHBondContact O-N 2.82Å
63	P	84.2	Confident	84.8	Confident	118 Å²	118	63.9 Å²	63.9	77%	0.766	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-63.6	156.1	172.7	29.3	-34.7	0	0	0	111	G65	P63-G65 PolarHBondContact O-N 3.04Å
64	C	86.9	Confident	84.8	Confident	60 Å²	60	68.8 Å²	68.8	41%	0.405	37%	0.374	S	S	.	.	S	Bend	trans	-63.9	134.1	172.1	-64.2	0	0	0	0	110.4	Y56 G57 C115	Y56-C64 HydrophobicContact CE1-CB 3.85Å; G57-C64 CarbonylContact O-C 3.51Å; G57-C64 VanDerWaalsContact O-CA 3.26Å; G57-C64 WeakPolarHBondContact O-CA 3.28Å; C64-C115 HydrophobicContact CB-CB 4.21Å; C64-C115 WeakPolarHBondContact CB-SG 3.38Å; C64-C115 WeakPolarHBondContact SG-CB 3.02Å; C64-C115 CovalentContact SG-SG 2.03Å; C64-C115 PolarHBondContact SG-SG 2.9Å
65	G	88.1	Confident	84.8	Confident	20 Å²	20	66.5 Å²	66.5	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	179	178.7	0	0	0	0	0	112.7	Y56 G57 P63 H67	Y56-G65 WeakPolarHBondContact CA-O 3.39Å; G57-G65 PolarHBondContact N-O 3.18Å; G57-G65 PolarHBondContact O-N 3.39Å; G57-G65 VanDerWaalsContact O-O 3.13Å; P63-G65 PolarHBondContact O-N 3.04Å; G65-H67 PolarHBondContact O-CD2 2.78Å; G65-H67 VanDerWaalsContact O-CD2 3.26Å
66	W	89	Confident	85.1	Confident	90 Å²	90	67.9 Å²	67.9	34%	0.341	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.5	172.1	-67.4	110.4	0	0	0	110.1	Q54 Y56 V120 A122 E143	Q54-W66 HydrophobicContact CB-CE3 4.13Å; Y56-W66 AromaticContact CD2-CD2 3.73Å; Y56-W66 HydrophobicContact CD2-CD2 3.73Å; Y56-W66 AromaticContact CD2-CE2 3.68Å; Y56-W66 HydrophobicContact CD2-CE3 4.11Å; Y56-W66 HydrophobicContact CD2-CG 4.13Å; Y56-W66 HydrophobicContact CD2-CH2 4.42Å; Y56-W66 HydrophobicContact CD2-CZ2 4.06Å; Y56-W66 HydrophobicContact CD2-CZ3 4.44Å; W66-V120 HydrophobicContact CH2-CG1 3.8Å; W66-V120 HydrophobicContact CZ3-CG1 4.32Å; W66-A122 HydrophobicContact CE3-CB 4.15Å; W66-A122 HydrophobicContact CH2-CB 3.96Å; W66-A122 HydrophobicContact CZ3-CB 3.66Å; W66-E143 HydrophobicContact CH2-CG 4.32Å; W66-E143 HydrophobicContact CZ2-CG 4.43Å; W66-E143 VanDerWaalsContact CZ2-OE1 3.25Å; W66-E143 WeakPolarHBondContact CZ2-OE1 3.15Å
67	H	88	Confident	85.4	Confident	37 Å²	37	67 Å²	67	17%	0.171	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.8	-179.8	-61.4	-63.2	0	0	0	109.7	Q54 Y55 G57 I59 G65	Q54-H67 CarbonylContact C-O 3.49Å; Q54-H67 WeakPolarHBondContact CA-O 3.19Å; Q54-H67 WeakPolarHBondContact CB-O 3.16Å; Y55-H67 HydrophobicContact CD1-CB 4.06Å; Y55-H67 HydrophobicContact CD2-CB 4.49Å; Y55-H67 HydrophobicContact CE1-CB 3.54Å; Y55-H67 HydrophobicContact CE2-CB 4.02Å; Y55-H67 AromaticContact CE2-CD2 3.82Å; Y55-H67 PolarHBondContact N-O 2.81Å; Y55-H67 PolarHBondContact O-N 2.73Å; G57-H67 PolarHBondContact O-CD2 3.34Å; G57-H67 PolarHBondContact O-NE2 2.9Å; G57-H67 VanDerWaalsContact O-NE2 3.07Å; I59-H67 HydrophobicContact CD1-CB 4.32Å; I59-H67 VanDerWaalsContact CD1-ND1 3.25Å; I59-H67 WeakPolarHBondContact CD1-ND1 3.34Å; G65-H67 PolarHBondContact O-CD2 2.78Å; G65-H67 VanDerWaalsContact O-CD2 3.26Å
68	G	88.7	Confident	85.6	Confident	56 Å²	56	68.5 Å²	68.5	58%	0.577	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.3	175	0	0	0	0	0	111.2
69	V	86.4	Confident	85.9	Confident	14 Å²	14	75.4 Å²	75.4	9%	0.085	42%	0.417	C	S	.	.			trans	-84.6	123.1	164.6	176.5	0	0	0	0	107.4	L53 Y55 T71 L105 L109	L53-V69 HydrophobicContact CB-CB 3.97Å; L53-V69 HydrophobicContact CB-CG2 4.39Å; L53-V69 PolarHBondContact O-N 3.26Å; Y55-V69 HydrophobicContact CD1-CG2 3.74Å; Y55-V69 HydrophobicContact CE1-CG2 4.4Å; V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 3.5Å; V69-L105 HydrophobicContact CG1-CD1 3.53Å; V69-L105 HydrophobicContact CG1-CG 4.1Å; V69-L109 HydrophobicContact CB-CD2 4.47Å; V69-L109 HydrophobicContact CG2-CD2 3.35Å; V69-L109 HydrophobicContact CG2-CG 4.34Å
70	P	85.6	Confident	85.8	Confident	81 Å²	81	74.5 Å²	74.5	53%	0.526	41%	0.411	S	S	.	.			trans	-70.6	94.9	177.1	29.6	-33.2	0	0	0	109	F72	P70-F72 HydrophobicContact CB-CD2 4.36Å; P70-F72 HydrophobicContact CB-CE1 4.17Å; P70-F72 HydrophobicContact CB-CE2 3.85Å; P70-F72 HydrophobicContact CB-CZ 3.75Å; P70-F72 HydrophobicContact CG-CE2 4.18Å; P70-F72 HydrophobicContact CG-CZ 4.21Å; P70-F72 VanDerWaalsContact O-CD2 3.24Å; P70-F72 WeakPolarHBondContact O-CD2 3.48Å; P70-F72 WeakPolarHBondContact O-CE2 3.39Å
71	T	85.9	Confident	86.1	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.043	39%	0.388	C	S	.	.			trans	-75.4	-14.8	174.4	60.5	0	0	0	0	111.6	L53 V69 G73 L74 L75 L105	L53-T71 HydrophobicContact CB-CG2 4.22Å; L53-T71 HydrophobicContact CD1-CG2 4.15Å; L53-T71 HydrophobicContact CG-CG2 4.25Å; V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 3.5Å; T71-G73 PolarHBondContact O-N 3.21Å; T71-L74 VanDerWaalsContact O-CB 3.24Å; T71-L74 WeakPolarHBondContact O-CB 3.18Å; T71-L74 WeakPolarHBondContact O-CD1 3.47Å; T71-L74 VanDerWaalsContact O-CG 3.26Å; T71-L74 WeakPolarHBondContact O-CG 3.28Å; T71-L74 PolarHBondContact O-N 3.31Å; T71-L75 HydrophobicContact CG2-CD1 3.73Å; T71-L75 HydrophobicContact CG2-CG 4.15Å; T71-L105 HydrophobicContact CG2-CD2 3.94Å
72	F	86	Confident	86.6	Confident	181 Å²	181	66.4 Å²	66.4	79%	0.794	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	33.5	-174.6	-56.5	-76.5	0	0	0	113.3	P70 L74	P70-F72 HydrophobicContact CB-CD2 4.36Å; P70-F72 HydrophobicContact CB-CE1 4.17Å; P70-F72 HydrophobicContact CB-CE2 3.85Å; P70-F72 HydrophobicContact CB-CZ 3.75Å; P70-F72 HydrophobicContact CG-CE2 4.18Å; P70-F72 HydrophobicContact CG-CZ 4.21Å; P70-F72 VanDerWaalsContact O-CD2 3.24Å; P70-F72 WeakPolarHBondContact O-CD2 3.48Å; P70-F72 WeakPolarHBondContact O-CE2 3.39Å; F72-L74 VanDerWaalsContact C-N 3.27Å; F72-L74 PolarHBondContact O-N 3.48Å
73	G	87	Confident	87.1	Confident	34 Å²	34	67.9 Å²	67.9	35%	0.351	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.8	-179.9	0	0	0	0	0	114.8	T71 L75 H76	T71-G73 PolarHBondContact O-N 3.21Å; G73-L75 PolarHBondContact O-N 3.22Å; G73-L75 VanDerWaalsContact O-N 3.13Å; G73-H76 WeakPolarHBondContact O-CB 3.39Å; G73-H76 PolarHBondContact O-N 2.94Å
74	L	88.3	Confident	87.4	Confident	105 Å²	105	63.9 Å²	63.9	55%	0.55	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23	179.1	-74.3	169.4	0	0	0	114	T71 F72 Y102	T71-L74 VanDerWaalsContact O-CB 3.24Å; T71-L74 WeakPolarHBondContact O-CB 3.18Å; T71-L74 WeakPolarHBondContact O-CD1 3.47Å; T71-L74 VanDerWaalsContact O-CG 3.26Å; T71-L74 WeakPolarHBondContact O-CG 3.28Å; T71-L74 PolarHBondContact O-N 3.31Å; F72-L74 VanDerWaalsContact C-N 3.27Å; F72-L74 PolarHBondContact O-N 3.48Å; L74-Y102 HydrophobicContact CB-CD1 4.43Å; L74-Y102 HydrophobicContact CB-CE1 4.12Å; L74-Y102 PolarHBondContact O-OH 2.93Å
75	L	90.3	Very high	87.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	20	179.9	-55.2	-178.3	0	0	0	112.3	I51 L53 T71 G73 I78 F99 Y102 L105	I51-L75 HydrophobicContact CB-CB 4.06Å; I51-L75 PolarHBondContact N-O 2.6Å; I51-L75 WeakPolarHBondContact O-CB 3.13Å; L53-L75 HydrophobicContact CD1-CD1 3.4Å; L53-L75 VanDerWaalsContact CD1-CD1 3.4Å; L53-L75 HydrophobicContact CG-CD1 3.73Å; T71-L75 HydrophobicContact CG2-CD1 3.73Å; T71-L75 HydrophobicContact CG2-CG 4.15Å; G73-L75 PolarHBondContact O-N 3.22Å; G73-L75 VanDerWaalsContact O-N 3.13Å; L75-I78 HydrophobicContact CB-CD1 4.38Å; L75-F99 HydrophobicContact CD1-CD1 4.49Å; L75-F99 HydrophobicContact CD1-CE1 4.21Å; L75-F99 HydrophobicContact CD2-CD1 4.17Å; L75-F99 HydrophobicContact CD2-CE1 4.3Å; L75-Y102 HydrophobicContact CD2-CD1 3.79Å; L75-Y102 HydrophobicContact CD2-CD2 3.53Å; L75-Y102 HydrophobicContact CD2-CE1 3.79Å; L75-Y102 HydrophobicContact CD2-CE2 3.55Å; L75-Y102 HydrophobicContact CD2-CG 3.64Å; L75-L105 HydrophobicContact CD1-CD2 4.32Å
76	H	92.9	Very high	88.1	Confident	81 Å²	81	63.4 Å²	63.4	38%	0.375	34%	0.343	S	S	.	.	S	Bend	trans	-102.4	149.4	174.9	-65	-174.9	0	0	0	109.9	D50 D52 G73	D50-H76 HydrophobicContact CB-CB 4.35Å; D50-H76 VanDerWaalsContact OD1-CA 3.28Å; D50-H76 WeakPolarHBondContact OD1-CA 3.21Å; D50-H76 WeakPolarHBondContact OD1-CB 3.5Å; D50-H76 IonicContact OD1-CG 3.88Å; D52-H76 IonicContact OD1-CE1 2.9Å; D52-H76 IonicContact OD1-NE2 3.83Å; D52-H76 PolarHBondContact OD1-NE2 3.34Å; G73-H76 WeakPolarHBondContact O-CB 3.39Å; G73-H76 PolarHBondContact O-N 2.94Å
77	G	91.3	Very high	88.4	Confident	42 Å²	42	65.5 Å²	65.5	43%	0.433	36%	0.355	S	S	.	.	S	Bend	trans	80.2	17.7	178.5	0	0	0	0	0	115.4	I48 A49 D50 K79	I48-G77 VanDerWaalsContact CG2-CA 3.47Å; A49-G77 PolarHBondContact O-N 2.89Å; D50-G77 PolarHBondContact OD1-N 2.85Å; G77-K79 PolarHBondContact O-N 2.78Å
78	I	90	Very high	88.8	Confident	32 Å²	32	67.4 Å²	67.4	16%	0.164	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.4	-176.6	-58.4	174.1	0	0	0	109.7	I48 A49 I51 L75 E80 Y97	I48-I78 CarbonylContact C-O 3.53Å; I48-I78 WeakPolarHBondContact CA-O 3.35Å; A49-I78 HydrophobicContact CB-CB 4.4Å; A49-I78 PolarHBondContact N-O 2.85Å; A49-I78 PolarHBondContact O-N 3.34Å; I51-I78 HydrophobicContact CD1-CD1 3.82Å; I51-I78 HydrophobicContact CG1-CD1 4.19Å; L75-I78 HydrophobicContact CB-CD1 4.38Å; I78-E80 HydrophobicContact CG2-CB 4.12Å; I78-E80 HydrophobicContact CG2-CG 3.54Å; I78-E80 PolarHBondContact O-N 2.94Å; I78-Y97 HydrophobicContact CG2-CD1 4.18Å; I78-Y97 HydrophobicContact CG2-CE1 4.26Å
79	K	87.8	Confident	89.2	Confident	161 Å²	161	66.2 Å²	66.2	70%	0.7	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	89.7	179.4	-73.3	-177.1	179.4	-173.9	0	111	I48 G77	I48-K79 HydrophobicContact CG1-CG 3.95Å; G77-K79 PolarHBondContact O-N 2.78Å
80	E	74.9	Confident	89.7	Confident	67 Å²	67	72 Å²	72	31%	0.313	39%	0.388	S	S	.	.			trans	-138	78.1	-175.1	-75.3	-79.4	176.1	0	0	109.7	I78 L95 R96 Y97	I78-E80 HydrophobicContact CG2-CB 4.12Å; I78-E80 HydrophobicContact CG2-CG 3.54Å; I78-E80 PolarHBondContact O-N 2.94Å; E80-L95 WeakPolarHBondContact O-CD2 3.42Å; E80-R96 WeakPolarHBondContact CB-O 3.4Å; E80-R96 WeakPolarHBondContact CG-O 3.38Å; E80-Y97 HydrophobicContact CB-CE1 4.41Å
81	C	83.7	Confident	90.2	Very high	27 Å²	27	70 Å²	70	18%	0.182	37%	0.374	C	S	.	.			trans	-123.4	98.1	168.2	-176.7	0	0	0	0	109.1	I47 N83 C84 L93	I47-C81 HydrophobicContact CB-CB 4.02Å; I47-C81 HydrophobicContact CG1-CB 4.38Å; C81-N83 VanDerWaalsContact C-N 3.35Å; C81-N83 PolarHBondContact O-N 2.82Å; C81-C84 HydrophobicContact CB-CB 3.95Å; C81-C84 WeakPolarHBondContact CB-SG 3.45Å; C81-C84 WeakPolarHBondContact SG-CB 3.46Å; C81-C84 PolarHBondContact SG-N 2.76Å; C81-C84 VanDerWaalsContact SG-N 3.35Å; C81-C84 CovalentContact SG-SG 2.03Å; C81-C84 PolarHBondContact SG-SG 2.92Å; C81-L93 VanDerWaalsContact SG-CD1 3.55Å
82	Y	84.4	Confident	90.6	Very high	149 Å²	149	72.3 Å²	72.3	58%	0.584	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.7	-168.9	-154.8	-98.7	0	0	0	113.4	E94 R96	Y82-E94 PolarHBondContact N-O 2.82Å; Y82-R96 VanDerWaalsContact CE2-NH1 3.26Å; Y82-R96 VanDerWaalsContact CZ-NH1 3.33Å
83	N	89	Confident	90.9	Very high	64 Å²	64	63.8 Å²	63.8	34%	0.342	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	28.9	-175.3	67.7	-27.1	0	0	0	113.1	C81 T92 E94	C81-N83 VanDerWaalsContact C-N 3.35Å; C81-N83 PolarHBondContact O-N 2.82Å; N83-T92 PolarHBondContact ND2-O 2.9Å; N83-E94 PolarHBondContact OD1-N 2.76Å; N83-E94 VanDerWaalsContact OD1-N 3.07Å
84	C	91.1	Very high	91.1	Very high	33 Å²	33	65.2 Å²	65.2	22%	0.223	35%	0.348	C	S	.	.			trans	-64.2	150	163.6	-83.5	0	0	0	0	110.5	N45 C81	N45-C84 WeakPolarHBondContact O-CB 3.26Å; C81-C84 HydrophobicContact CB-CB 3.95Å; C81-C84 WeakPolarHBondContact CB-SG 3.45Å; C81-C84 WeakPolarHBondContact SG-CB 3.46Å; C81-C84 PolarHBondContact SG-N 2.76Å; C81-C84 VanDerWaalsContact SG-N 3.35Å; C81-C84 CovalentContact SG-SG 2.03Å; C81-C84 PolarHBondContact SG-SG 2.92Å
85	P	95	Very high	91.3	Very high	67 Å²	67	60.2 Å²	60.2	44%	0.435	32%	0.322	S	S	.	.			cis	-79.8	140	7.6	31.1	-35.3	0	0	0	114.1	T43 L44 K87	T43-P85 HydrophobicContact CG2-CB 3.63Å; L44-P85 CarbonylContact O-C 3.6Å; L44-P85 WeakPolarHBondContact O-CA 3.29Å; P85-K87 PolarHBondContact O-N 3.5Å
86	V	94.1	Very high	91.2	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-87.9	106.9	174	-174.9	0	0	0	0	109.1	L7 N39 T43 L44 I47 N91 L93	L7-V86 HydrophobicContact CD1-CG1 4.36Å; N39-V86 HydrophobicContact CB-CG1 4.15Å; N39-V86 PolarHBondContact ND2-O 2.9Å; N39-V86 VanDerWaalsContact ND2-O 3.09Å; T43-V86 WeakPolarHBondContact CA-O 3.44Å; L44-V86 HydrophobicContact CB-CB 4.24Å; L44-V86 HydrophobicContact CD1-CB 4.46Å; L44-V86 PolarHBondContact N-O 2.9Å; L44-V86 PolarHBondContact O-N 3.01Å; I47-V86 HydrophobicContact CD1-CG2 4.19Å; V86-N91 HydrophobicContact CG1-CB 3.87Å; V86-L93 HydrophobicContact CG2-CD1 4.02Å
87	K	95.6	Very high	91	Very high	135 Å²	135	59.6 Å²	59.6	59%	0.587	32%	0.316	S	S	*	.			trans	-78.1	161.1	-178.3	-67.2	-178.6	-178.8	177.4	0	111.6	N39 T43 P85 N91	N39-K87 WeakPolarHBondContact CB-O 3.35Å; T43-K87 HydrophobicContact CG2-CG 4.46Å; P85-K87 PolarHBondContact O-N 3.5Å; K87-N91 PolarHBondContact O-ND2 2.85Å
88	P	96.7	Very high	90.7	Very high	77 Å²	77	60.9 Å²	60.9	50%	0.5	31%	0.313	S	S	.	.	S	Bend	trans	-57	142	171	-22.5	33	0	0	0	111.8	N39 G41	N39-P88 CarbonylContact O-C 3.43Å; N39-P88 VanDerWaalsContact O-CA 3.31Å; N39-P88 WeakPolarHBondContact O-CA 3.24Å; G41-P88 WeakPolarHBondContact O-CG 3.42Å
89	G	97.1	Very high	90.3	Very high	30 Å²	30	59.4 Å²	59.4	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	106.5	-160.1	-177.4	0	0	0	0	0	114	I38 N39 N91	I38-G89 CarbonylContact C-O 3.52Å; I38-G89 WeakPolarHBondContact CA-O 3.5Å; N39-G89 PolarHBondContact N-O 3.07Å; N39-G89 PolarHBondContact O-N 3.3Å; G89-N91 PolarHBondContact O-ND2 2.87Å
90	N	97.2	Very high	90	Very high	136 Å²	136	54.4 Å²	54.4	73%	0.727	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.8	-178.9	-65.8	-11.6	0	0	0	110.7	S37 I38	S37-N90 WeakPolarHBondContact O-CA 3.19Å; I38-N90 WeakPolarHBondContact CG1-OD1 3.44Å
91	N	95.6	Very high	90.4	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.214	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.6	178	-62.2	-92.2	0	0	0	110.1	S37 V86 K87 G89	S37-N91 PolarHBondContact N-O 2.84Å; S37-N91 PolarHBondContact O-N 2.87Å; S37-N91 VanDerWaalsContact O-O 3.05Å; S37-N91 PolarHBondContact OG-O 2.8Å; V86-N91 HydrophobicContact CG1-CB 3.87Å; K87-N91 PolarHBondContact O-ND2 2.85Å; G89-N91 PolarHBondContact O-ND2 2.87Å
92	T	94.9	Very high	90.3	Very high	55 Å²	55	57.3 Å²	57.3	34%	0.337	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119	161.9	-64	0	0	0	0	106.3	K34 V35 D36 N83	K34-T92 HydrophobicContact CD-CG2 4.14Å; K34-T92 HydrophobicContact CG-CG2 3.56Å; V35-T92 CarbonylContact O-C 3.46Å; V35-T92 WeakPolarHBondContact O-CA 3.4Å; D36-T92 PolarHBondContact OD1-OG1 2.89Å; N83-T92 PolarHBondContact ND2-O 2.9Å
93	L	92.4	Very high	90	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.5	178.8	173.5	66.3	0	0	0	109.4	L7 V35 I47 C81 V86 L95 L127	L7-L93 HydrophobicContact CD2-CD2 4.49Å; V35-L93 HydrophobicContact CB-CB 4.25Å; V35-L93 PolarHBondContact N-O 3.34Å; V35-L93 PolarHBondContact O-N 2.88Å; I47-L93 HydrophobicContact CD1-CD1 3.91Å; I47-L93 HydrophobicContact CD1-CD2 3.91Å; C81-L93 VanDerWaalsContact SG-CD1 3.55Å; V86-L93 HydrophobicContact CG2-CD1 4.02Å; L93-L95 HydrophobicContact CD1-CD2 4.09Å; L93-L95 HydrophobicContact CD2-CD1 4.12Å; L93-L95 HydrophobicContact CD2-CD2 3.8Å; L93-L95 HydrophobicContact CD2-CG 3.96Å; L93-L95 HydrophobicContact CG-CD2 3.89Å; L93-L95 HydrophobicContact CG-CG 3.96Å; L93-L127 HydrophobicContact CD2-CD1 4.32Å
94	E	92.1	Very high	89.6	Confident	64 Å²	64	55 Å²	55	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.9	173	-67.8	-173.3	-170.1	0	0	110.1	L33 Y82 N83 R96	L33-E94 WeakPolarHBondContact O-CA 3.4Å; Y82-E94 PolarHBondContact N-O 2.82Å; N83-E94 PolarHBondContact OD1-N 2.76Å; N83-E94 VanDerWaalsContact OD1-N 3.07Å; E94-R96 IonicContact OE2-NH2 3.43Å; E94-R96 PolarHBondContact OE2-NH2 3.26Å
95	L	90.9	Very high	89	Confident	1 Å²	1	55 Å²	55	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.3	175	-54.7	170.8	0	0	0	108.5	L33 V35 E80 L93 Y97 L127 L140	L33-L95 HydrophobicContact CB-CB 4.21Å; L33-L95 PolarHBondContact N-O 3.39Å; L33-L95 PolarHBondContact O-N 3.31Å; V35-L95 HydrophobicContact CG2-CD1 4.26Å; E80-L95 WeakPolarHBondContact O-CD2 3.42Å; L93-L95 HydrophobicContact CD1-CD2 4.09Å; L93-L95 HydrophobicContact CD2-CD1 4.12Å; L93-L95 HydrophobicContact CD2-CD2 3.8Å; L93-L95 HydrophobicContact CD2-CG 3.96Å; L93-L95 HydrophobicContact CG-CD2 3.89Å; L93-L95 HydrophobicContact CG-CG 3.96Å; L95-Y97 HydrophobicContact CB-CE2 4.25Å; L95-L127 HydrophobicContact CD1-CD1 4.15Å; L95-L127 HydrophobicContact CD1-CD2 3.73Å; L95-L127 HydrophobicContact CD2-CD2 4.44Å; L95-L140 HydrophobicContact CD1-CD2 4.4Å
96	R	88.9	Confident	88.1	Confident	65 Å²	65	51.9 Å²	51.9	25%	0.245	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.1	179.3	-49.2	-165.2	173.2	162.3	1.6	108.8	N32 E80 Y82 E94	N32-R96 VanDerWaalsContact OD1-CD 3.25Å; N32-R96 WeakPolarHBondContact OD1-CD 3.24Å; N32-R96 WeakPolarHBondContact OD1-CG 3.21Å; E80-R96 WeakPolarHBondContact CB-O 3.4Å; E80-R96 WeakPolarHBondContact CG-O 3.38Å; Y82-R96 VanDerWaalsContact CE2-NH1 3.26Å; Y82-R96 VanDerWaalsContact CZ-NH1 3.33Å; E94-R96 IonicContact OE2-NH2 3.43Å; E94-R96 PolarHBondContact OE2-NH2 3.26Å
97	Y	87.9	Confident	87.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.6	178	-60.1	-52.2	0	0	0	109.3	L30 M31 L33 A49 I51 I78 E80 L95 F99 I125	L30-Y97 WeakPolarHBondContact CA-O 3.45Å; M31-Y97 HydrophobicContact CE-CD2 3.7Å; M31-Y97 PolarHBondContact N-O 3.37Å; M31-Y97 PolarHBondContact O-N 3.17Å; L33-Y97 HydrophobicContact CD1-CD2 3.71Å; L33-Y97 HydrophobicContact CD1-CE2 3.38Å; A49-Y97 HydrophobicContact CB-CE1 3.78Å; A49-Y97 VanDerWaalsContact CB-OH 3.24Å; A49-Y97 WeakPolarHBondContact CB-OH 3.5Å; I51-Y97 HydrophobicContact CD1-CD1 3.72Å; I51-Y97 HydrophobicContact CD1-CD2 4.05Å; I51-Y97 HydrophobicContact CD1-CE1 3.74Å; I51-Y97 HydrophobicContact CD1-CE2 4.03Å; I51-Y97 HydrophobicContact CD1-CG 3.89Å; I78-Y97 HydrophobicContact CG2-CD1 4.18Å; I78-Y97 HydrophobicContact CG2-CE1 4.26Å; E80-Y97 HydrophobicContact CB-CE1 4.41Å; L95-Y97 HydrophobicContact CB-CE2 4.25Å; Y97-F99 HydrophobicContact CG-CE2 4.49Å; Y97-F99 HydrophobicContact CG-CZ 4.24Å; Y97-I125 HydrophobicContact CE2-CD1 3.82Å; Y97-I125 HydrophobicContact CE2-CG2 4.45Å; Y97-I125 WeakPolarHBondContact OH-CG2 3.22Å
98	D	85.3	Confident	86.1	Confident	69 Å²	69	55.9 Å²	55.9	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	103.8	171.4	-173.4	2.9	0	0	0	109.9	L30 S100 P101	L30-D98 HydrophobicContact CD1-CB 4.38Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 3.07Å; D98-S100 PolarHBondContact OD1-OG 3.45Å; D98-S100 PolarHBondContact OD2-OG 2.71Å; D98-P101 WeakPolarHBondContact O-CD 3.4Å
99	F	81.7	Confident	85	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.009	28%	0.282	C	S	.	.			trans	-91.7	5.1	176.5	-55.6	-78.1	0	0	0	113.9	M27 M31 I51 L75 Y97 P101 Y102 E103 I106 M123	M27-F99 HydrophobicContact CE-CD2 3.67Å; M27-F99 HydrophobicContact CE-CE2 3.59Å; M27-F99 HydrophobicContact CE-CG 4.16Å; M27-F99 HydrophobicContact CE-CZ 4.04Å; M27-F99 WeakPolarHBondContact O-CB 3.4Å; M31-F99 HydrophobicContact CE-CE2 4.09Å; I51-F99 HydrophobicContact CD1-CE1 4Å; I51-F99 HydrophobicContact CD1-CZ 3.83Å; L75-F99 HydrophobicContact CD1-CD1 4.49Å; L75-F99 HydrophobicContact CD1-CE1 4.21Å; L75-F99 HydrophobicContact CD2-CD1 4.17Å; L75-F99 HydrophobicContact CD2-CE1 4.3Å; Y97-F99 HydrophobicContact CG-CE2 4.49Å; Y97-F99 HydrophobicContact CG-CZ 4.24Å; F99-P101 VanDerWaalsContact C-N 3.29Å; F99-Y102 HydrophobicContact CB-CD2 4.5Å; F99-Y102 HydrophobicContact CD1-CD2 4.32Å; F99-Y102 CarbonylContact O-C 3.55Å; F99-Y102 WeakPolarHBondContact O-CA 3.31Å; F99-Y102 PolarHBondContact O-N 2.86Å; F99-E103 PolarHBondContact O-N 3.11Å; F99-I106 HydrophobicContact CB-CD1 4.26Å; F99-I106 HydrophobicContact CB-CG1 4.04Å; F99-I106 HydrophobicContact CG-CD1 4.43Å; F99-M123 HydrophobicContact CE2-SD 3.75Å; F99-M123 HydrophobicContact CZ-SD 3.66Å
100	S	82.1	Confident	83.5	Confident	55 Å²	55	52.3 Å²	52.3	39%	0.385	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-56.8	-34.4	178.3	62.4	0	0	0	0	113.9	K28 D98 Y102 E103	K28-S100 WeakPolarHBondContact O-CB 3.05Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 3.07Å; D98-S100 PolarHBondContact OD1-OG 3.45Å; D98-S100 PolarHBondContact OD2-OG 2.71Å; S100-Y102 PolarHBondContact O-N 2.97Å; S100-E103 PolarHBondContact O-N 3.18Å
101	P	82.9	Confident	81.6	Confident	91 Å²	91	48.2 Å²	48.2	59%	0.591	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.1	173.1	-20.8	35.1	0	0	0	113.8	D98 F99	D98-P101 WeakPolarHBondContact O-CD 3.4Å; F99-P101 VanDerWaalsContact C-N 3.29Å
102	Y	81.1	Confident	79.7	Confident	65 Å²	65	46.8 Å²	46.8	26%	0.255	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-105.9	18.9	-177	-46.4	-80.1	0	0	0	111.9	L74 L75 F99 S100 P104 L105 I106	L74-Y102 HydrophobicContact CB-CD1 4.43Å; L74-Y102 HydrophobicContact CB-CE1 4.12Å; L74-Y102 PolarHBondContact O-OH 2.93Å; L75-Y102 HydrophobicContact CD2-CD1 3.79Å; L75-Y102 HydrophobicContact CD2-CD2 3.53Å; L75-Y102 HydrophobicContact CD2-CE1 3.79Å; L75-Y102 HydrophobicContact CD2-CE2 3.55Å; L75-Y102 HydrophobicContact CD2-CG 3.64Å; F99-Y102 HydrophobicContact CB-CD2 4.5Å; F99-Y102 HydrophobicContact CD1-CD2 4.32Å; F99-Y102 CarbonylContact O-C 3.55Å; F99-Y102 WeakPolarHBondContact O-CA 3.31Å; F99-Y102 PolarHBondContact O-N 2.86Å; S100-Y102 PolarHBondContact O-N 2.97Å; Y102-P104 VanDerWaalsContact C-N 3.3Å; Y102-P104 VanDerWaalsContact O-N 3.16Å; Y102-L105 WeakPolarHBondContact O-CA 3.46Å; Y102-L105 VanDerWaalsContact O-CB 3.29Å; Y102-L105 WeakPolarHBondContact O-CB 3.33Å; Y102-L105 PolarHBondContact O-N 2.94Å; Y102-I106 PolarHBondContact O-N 3Å
103	E	79.2	Confident	77.7	Confident	66 Å²	66	49.6 Å²	49.6	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-48.4	-42.5	-178.7	-161.9	-161.1	156.6	0	0	113.8	K28 F99 S100 L105 I106 R107	K28-E103 HydrophobicContact CD-CG 4.4Å; K28-E103 HydrophobicContact CG-CG 4.23Å; F99-E103 PolarHBondContact O-N 3.11Å; S100-E103 PolarHBondContact O-N 3.18Å; E103-L105 VanDerWaalsContact C-N 3.28Å; E103-L105 PolarHBondContact O-N 2.68Å; E103-I106 PolarHBondContact O-N 3.06Å; E103-R107 WeakPolarHBondContact O-CG 3.47Å; E103-R107 PolarHBondContact O-N 2.99Å; E103-R107 IonicContact OE1-CZ 3.39Å; E103-R107 IonicContact OE1-NE 2.71Å; E103-R107 PolarHBondContact OE1-NE 2.76Å; E103-R107 IonicContact OE1-NH2 3.61Å; E103-R107 PolarHBondContact OE1-NH2 2.86Å
104	P	79.5	Confident	76	Confident	98 Å²	98	57 Å²	57	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-38.9	177	-24.2	35.5	0	0	0	112.9	Y102	Y102-P104 VanDerWaalsContact C-N 3.3Å; Y102-P104 VanDerWaalsContact O-N 3.16Å
105	L	78.8	Confident	74.6	Confident	34 Å²	34	54.8 Å²	54.8	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-68.7	-46.2	176.3	-172.5	68.9	0	0	0	110.7	L53 V69 T71 L75 Y102 E103 R107 T108	L53-L105 HydrophobicContact CD1-CD2 4.03Å; L53-L105 HydrophobicContact CD1-CG 4.45Å; V69-L105 HydrophobicContact CG1-CD1 3.53Å; V69-L105 HydrophobicContact CG1-CG 4.1Å; T71-L105 HydrophobicContact CG2-CD2 3.94Å; L75-L105 HydrophobicContact CD1-CD2 4.32Å; Y102-L105 WeakPolarHBondContact O-CA 3.46Å; Y102-L105 VanDerWaalsContact O-CB 3.29Å; Y102-L105 WeakPolarHBondContact O-CB 3.33Å; Y102-L105 PolarHBondContact O-N 2.94Å; E103-L105 VanDerWaalsContact C-N 3.28Å; E103-L105 PolarHBondContact O-N 2.68Å; L105-R107 VanDerWaalsContact C-N 3.27Å; L105-R107 PolarHBondContact O-N 3.13Å; L105-T108 WeakPolarHBondContact O-CB 3.28Å; L105-T108 PolarHBondContact O-N 3.02Å; L105-T108 PolarHBondContact O-OG1 2.82Å
106	I	77.2	Confident	73.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-34.6	178.9	-60.8	-55.1	0	0	0	111.7	M27 K28 L53 F99 Y102 E103 T108 L109 I146	M27-I106 HydrophobicContact CB-CG2 3.65Å; M27-I106 HydrophobicContact CE-CD1 3.72Å; M27-I106 HydrophobicContact SD-CD1 4.11Å; M27-I106 HydrophobicContact SD-CG2 4.46Å; K28-I106 HydrophobicContact CG-CG2 4.28Å; L53-I106 HydrophobicContact CD1-CD1 3.82Å; F99-I106 HydrophobicContact CB-CD1 4.26Å; F99-I106 HydrophobicContact CB-CG1 4.04Å; F99-I106 HydrophobicContact CG-CD1 4.43Å; Y102-I106 PolarHBondContact O-N 3Å; E103-I106 PolarHBondContact O-N 3.06Å; I106-T108 PolarHBondContact O-N 2.88Å; I106-L109 HydrophobicContact CD1-CD1 3.88Å; I106-L109 VanDerWaalsContact O-CB 3.29Å; I106-L109 WeakPolarHBondContact O-CB 3.36Å; I106-L109 PolarHBondContact O-N 3.15Å; I106-I146 HydrophobicContact CG2-CD1 4.34Å
107	R	74.6	Confident	72.1	Confident	145 Å²	145	67.8 Å²	67.8	55%	0.547	36%	0.361	S	S	.	.	H	α-helix	trans	-58.9	-31	174.1	-77.7	173.2	176.5	-100.4	2.5	112.7	E103 L105 L109 A110	E103-R107 WeakPolarHBondContact O-CG 3.47Å; E103-R107 PolarHBondContact O-N 2.99Å; E103-R107 IonicContact OE1-CZ 3.39Å; E103-R107 IonicContact OE1-NE 2.71Å; E103-R107 PolarHBondContact OE1-NE 2.76Å; E103-R107 IonicContact OE1-NH2 3.61Å; E103-R107 PolarHBondContact OE1-NH2 2.86Å; L105-R107 VanDerWaalsContact C-N 3.27Å; L105-R107 PolarHBondContact O-N 3.13Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.27Å; R107-A110 PolarHBondContact O-N 3.32Å
108	T	72	Confident	71.2	Confident	78 Å²	78	73.5 Å²	73.5	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-30.6	175.4	72.5	0	0	0	0	112.7	L105 I106 A110 G111	L105-T108 WeakPolarHBondContact O-CB 3.28Å; L105-T108 PolarHBondContact O-N 3.02Å; L105-T108 PolarHBondContact O-OG1 2.82Å; I106-T108 PolarHBondContact O-N 2.88Å; T108-A110 VanDerWaalsContact C-N 3.33Å; T108-A110 PolarHBondContact O-N 3.22Å; T108-G111 PolarHBondContact O-N 2.59Å
109	L	73.3	Confident	70.8	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-68.3	-32.8	177.7	-63.9	170.9	0	0	0	112.3	M27 L53 V69 I106 R107 G111 Y121 I146	M27-L109 HydrophobicContact SD-CD1 3.92Å; L53-L109 HydrophobicContact CB-CD2 4.49Å; L53-L109 HydrophobicContact CD1-CD1 4.21Å; L53-L109 HydrophobicContact CD2-CD1 4.25Å; V69-L109 HydrophobicContact CB-CD2 4.47Å; V69-L109 HydrophobicContact CG2-CD2 3.35Å; V69-L109 HydrophobicContact CG2-CG 4.34Å; I106-L109 HydrophobicContact CD1-CD1 3.88Å; I106-L109 VanDerWaalsContact O-CB 3.29Å; I106-L109 WeakPolarHBondContact O-CB 3.36Å; I106-L109 PolarHBondContact O-N 3.15Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.27Å; L109-G111 PolarHBondContact O-N 2.83Å; L109-Y121 HydrophobicContact CD1-CG 4.46Å; L109-I146 HydrophobicContact CB-CD1 3.55Å; L109-I146 HydrophobicContact CD1-CD1 4.42Å
110	A	65.3	Low	70.9	Confident	31 Å²	31	71.6 Å²	71.6	26%	0.256	38%	0.38	S	S	.	.	H	α-helix	trans	-71.2	-20.6	178.6	0	0	0	0	0	112.3	R107 T108 G112 I146	R107-A110 PolarHBondContact O-N 3.32Å; T108-A110 VanDerWaalsContact C-N 3.33Å; T108-A110 PolarHBondContact O-N 3.22Å; A110-G112 VanDerWaalsContact C-N 3.34Å; A110-G112 PolarHBondContact O-N 3.33Å; A110-I146 HydrophobicContact CB-CD1 4.19Å; A110-I146 HydrophobicContact CB-CG2 4.4Å
111	G	58.5	Low	71.1	Confident	50 Å²	50	69 Å²	69	52%	0.515	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	8.9	-172.4	0	0	0	0	0	115.6	T108 L109 V113	T108-G111 PolarHBondContact O-N 2.59Å; L109-G111 PolarHBondContact O-N 2.83Å; G111-V113 WeakPolarHBondContact O-CG2 3.35Å; G111-V113 PolarHBondContact O-N 2.91Å
112	G	54.8	Low	71.4	Confident	9 Å²	9	64.6 Å²	64.6	9%	0.093	33%	0.334	C	S	.	.			trans	-55.4	93.2	-177	0	0	0	0	0	113.3	A110	A110-G112 VanDerWaalsContact C-N 3.34Å; A110-G112 PolarHBondContact O-N 3.33Å
113	V	52.9	Low	71.9	Confident	115 Å²	115	61.5 Å²	61.5	70%	0.697	32%	0.322	S	S	*	.			trans	-77.6	134.1	-177.8	-135.9	0	0	0	0	109	G111	G111-V113 WeakPolarHBondContact O-CG2 3.35Å; G111-V113 PolarHBondContact O-N 2.91Å
114	K	58.1	Low	72.6	Confident	157 Å²	157	60.6 Å²	60.6	68%	0.683	32%	0.319	S	S	*	.	S	Bend	trans	76.6	47.2	164.3	-121.4	-171.6	-171.7	-174	0	118.1	S58	S58-K114 PolarHBondContact OG-O 2.79Å
115	C	62.4	Low	73.3	Confident	16 Å²	16	56 Å²	56	11%	0.108	29%	0.289	C	S	.	.	S	Bend	trans	-146.1	161.2	156.4	-66	0	0	0	0	109.4	S58 C64 L117 Q118	S58-C115 PolarHBondContact N-SG 2.76Å; S58-C115 VanDerWaalsContact N-SG 3.4Å; C64-C115 HydrophobicContact CB-CB 4.21Å; C64-C115 WeakPolarHBondContact CB-SG 3.38Å; C64-C115 WeakPolarHBondContact SG-CB 3.02Å; C64-C115 CovalentContact SG-SG 2.03Å; C64-C115 PolarHBondContact SG-SG 2.9Å; C115-L117 PolarHBondContact O-N 2.9Å; C115-Q118 WeakPolarHBondContact O-CG 3.43Å
116	Y	63.2	Low	74.1	Confident	243 Å²	243	55.3 Å²	55.3	95%	0.953	29%	0.288	S	S	*	.	S	Bend	trans	-62.3	-27.7	178.5	-71.3	-80.8	0	0	0	113.3	Q118	Y116-Q118 PolarHBondContact O-N 2.82Å
117	L	63	Low	74.9	Confident	97 Å²	97	55.3 Å²	55.3	51%	0.508	29%	0.288	S	S	.	.	S	Bend	trans	-95.5	63.2	-178.1	-65.8	177	0	0	0	111.5	Y56 C115 V120	Y56-L117 HydrophobicContact CD1-CB 4.08Å; Y56-L117 HydrophobicContact CD1-CD1 4.29Å; Y56-L117 HydrophobicContact CE1-CD1 4.21Å; C115-L117 PolarHBondContact O-N 2.9Å; L117-V120 HydrophobicContact CB-CB 4.43Å; L117-V120 HydrophobicContact CB-CG2 3.88Å
118	Q	69	Low	75.9	Confident	121 Å²	121	51.2 Å²	51.2	57%	0.565	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	139.5	176.6	-62.6	-175.5	1.8	0	0	111.4	C115 Y116 V120 K145	C115-Q118 WeakPolarHBondContact O-CG 3.43Å; Y116-Q118 PolarHBondContact O-N 2.82Å; Q118-V120 VanDerWaalsContact C-N 3.27Å; Q118-V120 PolarHBondContact O-N 3.23Å; Q118-K145 WeakPolarHBondContact O-CE 3.26Å
119	G	76.8	Confident	77	Confident	8 Å²	8	48.4 Å²	48.4	8%	0.082	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	14.9	176.7	0	0	0	0	0	114.6	K145 I146	G119-K145 CarbonylContact O-C 3.55Å; G119-K145 WeakPolarHBondContact O-CA 3.07Å; G119-I146 PolarHBondContact O-N 2.91Å
120	V	84.3	Confident	77.9	Confident	23 Å²	23	49.1 Å²	49.1	14%	0.139	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.4	171.3	177.7	0	0	0	0	109.6	Y56 W66 L117 Q118 S144 K145	Y56-V120 PolarHBondContact N-O 3.37Å; W66-V120 HydrophobicContact CH2-CG1 3.8Å; W66-V120 HydrophobicContact CZ3-CG1 4.32Å; L117-V120 HydrophobicContact CB-CB 4.43Å; L117-V120 HydrophobicContact CB-CG2 3.88Å; Q118-V120 VanDerWaalsContact C-N 3.27Å; Q118-V120 PolarHBondContact O-N 3.23Å; V120-S144 WeakPolarHBondContact CA-O 3.29Å; V120-K145 HydrophobicContact CG2-CB 4.39Å; V120-K145 HydrophobicContact CG2-CG 4.33Å
121	Y	86.7	Confident	79.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	164.1	-178.7	69.5	-84.1	0	0	0	110.6	M27 Q54 L109 M123 E143 S144 I146	M27-Y121 HydrophobicContact CE-CD2 4.43Å; M27-Y121 HydrophobicContact CE-CE2 3.99Å; M27-Y121 HydrophobicContact CG-CD2 4.48Å; M27-Y121 HydrophobicContact CG-CE1 3.93Å; M27-Y121 HydrophobicContact CG-CE2 3.63Å; M27-Y121 WeakPolarHBondContact CG-OH 3.38Å; M27-Y121 HydrophobicContact SD-CD1 4.26Å; M27-Y121 HydrophobicContact SD-CD2 3.38Å; M27-Y121 WeakPolarHBondContact SD-CD2 3.31Å; M27-Y121 HydrophobicContact SD-CE1 3.92Å; M27-Y121 HydrophobicContact SD-CE2 3.02Å; M27-Y121 WeakPolarHBondContact SD-CE2 3.24Å; M27-Y121 HydrophobicContact SD-CG 3.99Å; Q54-Y121 CarbonylContact O-C 3.57Å; Q54-Y121 WeakPolarHBondContact O-CA 3.17Å; Q54-Y121 VanDerWaalsContact O-CB 3.31Å; Q54-Y121 WeakPolarHBondContact O-CB 3.36Å; L109-Y121 HydrophobicContact CD1-CG 4.46Å; Y121-M123 HydrophobicContact CE2-CE 3.99Å; Y121-M123 HydrophobicContact CE2-CG 4.49Å; Y121-M123 HydrophobicContact CE2-SD 4.47Å; Y121-E143 WeakPolarHBondContact O-CA 3.33Å; Y121-S144 WeakPolarHBondContact CD1-O 3.44Å; Y121-S144 VanDerWaalsContact CZ-CB 3.41Å; Y121-S144 PolarHBondContact N-O 3.49Å; Y121-S144 PolarHBondContact O-N 2.84Å; Y121-S144 VanDerWaalsContact OH-CB 3.25Å; Y121-S144 WeakPolarHBondContact OH-CB 3.11Å; Y121-S144 PolarHBondContact OH-OG 3.07Å; Y121-I146 HydrophobicContact CD1-CD1 4.09Å; Y121-I146 HydrophobicContact CD1-CG1 3.45Å; Y121-I146 VanDerWaalsContact CD1-CG1 3.45Å; Y121-I146 HydrophobicContact CE1-CB 4.48Å; Y121-I146 HydrophobicContact CE1-CD1 4.43Å; Y121-I146 HydrophobicContact CE1-CG1 3.46Å; Y121-I146 VanDerWaalsContact CE1-CG1 3.46Å; Y121-I146 HydrophobicContact CG-CG1 4.46Å
122	A	89.7	Confident	80.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.4	171.1	0	0	0	0	0	111.4	Q54 W66 V142 E143	Q54-A122 HydrophobicContact CB-CB 4.35Å; Q54-A122 PolarHBondContact N-O 2.78Å; Q54-A122 PolarHBondContact O-N 2.8Å; W66-A122 HydrophobicContact CE3-CB 4.15Å; W66-A122 HydrophobicContact CH2-CB 3.96Å; W66-A122 HydrophobicContact CZ3-CB 3.66Å; A122-V142 CarbonylContact C-O 3.46Å; A122-V142 WeakPolarHBondContact CA-O 3.29Å; A122-E143 HydrophobicContact CB-CG 3.91Å
123	M	90.8	Very high	82.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.1	168.7	-71.2	170	-60.2	0	0	107.7	M27 M31 I51 L53 F99 Y121 I125 R141 V142	M27-M123 HydrophobicContact CE-CE 4.44Å; M27-M123 HydrophobicContact CE-CG 4.14Å; M27-M123 HydrophobicContact CE-SD 3.43Å; M27-M123 WeakPolarHBondContact CE-SD 3.25Å; M31-M123 HydrophobicContact CE-CE 3.43Å; M31-M123 VanDerWaalsContact CE-CE 3.43Å; M31-M123 HydrophobicContact CE-SD 3.83Å; M31-M123 HydrophobicContact SD-CE 3.61Å; M31-M123 HydrophobicContact SD-SD 4.48Å; I51-M123 HydrophobicContact CG2-CB 4.07Å; I51-M123 HydrophobicContact CG2-CG 4.07Å; L53-M123 HydrophobicContact CD2-CG 3.45Å; L53-M123 VanDerWaalsContact CD2-CG 3.45Å; L53-M123 HydrophobicContact CD2-SD 4.4Å; F99-M123 HydrophobicContact CE2-SD 3.75Å; F99-M123 HydrophobicContact CZ-SD 3.66Å; Y121-M123 HydrophobicContact CE2-CE 3.99Å; Y121-M123 HydrophobicContact CE2-CG 4.49Å; Y121-M123 HydrophobicContact CE2-SD 4.47Å; M123-I125 HydrophobicContact CB-CD1 4.12Å; M123-I125 HydrophobicContact CB-CG1 4.08Å; M123-R141 WeakPolarHBondContact O-CA 3.4Å; M123-V142 HydrophobicContact CB-CB 4.4Å; M123-V142 HydrophobicContact CE-CB 3.7Å; M123-V142 HydrophobicContact CE-CG1 3.37Å; M123-V142 HydrophobicContact CE-CG2 4.49Å; M123-V142 PolarHBondContact N-O 2.91Å; M123-V142 PolarHBondContact O-N 3.03Å
124	N	94.4	Very high	84.4	Confident	47 Å²	47	60.9 Å²	60.9	25%	0.251	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.7	163.2	-56.8	-55.1	0	0	0	107	I51 D52 Q54 R141	I51-N124 WeakPolarHBondContact CA-O 3.41Å; D52-N124 HydrophobicContact CB-CB 4.47Å; D52-N124 PolarHBondContact N-O 2.9Å; D52-N124 PolarHBondContact O-N 3.28Å; Q54-N124 PolarHBondContact NE2-ND2 3.29Å; N124-R141 PolarHBondContact ND2-NH1 3.47Å; N124-R141 WeakPolarHBondContact OD1-CD 3.19Å; N124-R141 WeakPolarHBondContact OD1-CG 3.37Å; N124-R141 PolarHBondContact OD1-NH1 3.24Å
125	I	94.2	Very high	86	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.1	-174.6	-61.3	160.6	0	0	0	107	L33 A49 D50 I51 Y97 M123 L127 C139 L140 V142	L33-I125 HydrophobicContact CD1-CD1 3.95Å; A49-I125 HydrophobicContact CB-CG2 4.29Å; D50-I125 WeakPolarHBondContact O-CA 3.24Å; I51-I125 HydrophobicContact CD1-CG1 4.4Å; I51-I125 HydrophobicContact CG1-CG1 4.09Å; I51-I125 HydrophobicContact CG1-CG2 4.49Å; I51-I125 HydrophobicContact CG2-CG1 4.13Å; Y97-I125 HydrophobicContact CE2-CD1 3.82Å; Y97-I125 HydrophobicContact CE2-CG2 4.45Å; Y97-I125 WeakPolarHBondContact OH-CG2 3.22Å; M123-I125 HydrophobicContact CB-CD1 4.12Å; M123-I125 HydrophobicContact CB-CG1 4.08Å; I125-L127 HydrophobicContact CG2-CD2 3.81Å; I125-L127 HydrophobicContact CG2-CG 4.47Å; I125-C139 CarbonylContact O-C 3.55Å; I125-C139 WeakPolarHBondContact O-CA 3.31Å; I125-C139 WeakPolarHBondContact O-CB 3.18Å; I125-L140 HydrophobicContact CB-CD1 4.08Å; I125-L140 HydrophobicContact CB-CG 4.02Å; I125-L140 HydrophobicContact CD1-CD1 3.55Å; I125-L140 HydrophobicContact CD1-CG 4.42Å; I125-L140 HydrophobicContact CG1-CD1 4.33Å; I125-L140 HydrophobicContact CG2-CG 4.39Å; I125-L140 PolarHBondContact N-O 3.28Å; I125-L140 PolarHBondContact O-N 3.32Å; I125-V142 HydrophobicContact CD1-CG2 4.33Å
126	A	95	Very high	87.5	Confident	19 Å²	19	57.3 Å²	57.3	16%	0.157	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.4	169.7	0	0	0	0	0	108.9	A49 D50	A49-A126 WeakPolarHBondContact CA-O 3.35Å; D50-A126 HydrophobicContact CB-CB 4.43Å; D50-A126 PolarHBondContact N-O 3.07Å; D50-A126 PolarHBondContact O-N 3.02Å
127	L	95.1	Very high	89	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.3	175.7	-55.5	177.1	0	0	0	108.5	I9 I47 I48 A49 L93 L95 I125 E136 I137 G138 L140	I9-L127 HydrophobicContact CD1-CD1 4.44Å; I47-L127 HydrophobicContact CG2-CB 4.02Å; I47-L127 HydrophobicContact CG2-CD2 4.12Å; I48-L127 CarbonylContact O-C 2.97Å; I48-L127 WeakPolarHBondContact O-CA 3.48Å; A49-L127 HydrophobicContact CB-CD2 4.19Å; L93-L127 HydrophobicContact CD2-CD1 4.32Å; L95-L127 HydrophobicContact CD1-CD1 4.15Å; L95-L127 HydrophobicContact CD1-CD2 3.73Å; L95-L127 HydrophobicContact CD2-CD2 4.44Å; I125-L127 HydrophobicContact CG2-CD2 3.81Å; I125-L127 HydrophobicContact CG2-CG 4.47Å; L127-E136 CarbonylContact O-C 3.55Å; L127-I137 VanDerWaalsContact C-CG1 3.49Å; L127-I137 HydrophobicContact CB-CD1 4.26Å; L127-I137 HydrophobicContact CB-CG1 3.91Å; L127-I137 WeakPolarHBondContact O-CG1 3.46Å; L127-I137 PolarHBondContact O-N 2.7Å; L127-G138 WeakPolarHBondContact CA-O 3.17Å; L127-G138 WeakPolarHBondContact CB-O 3.43Å; L127-G138 PolarHBondContact N-O 2.89Å; L127-G138 PolarHBondContact O-N 3.39Å; L127-L140 HydrophobicContact CD1-CD2 4.03Å; L127-L140 HydrophobicContact CG-CD2 4.5Å
128	R	95.1	Very high	90.5	Very high	58 Å²	58	41.2 Å²	41.2	22%	0.219	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.4	-178	-68.3	169.8	173	-60.3	-17.2	110.5	I47 I48 D50 G130 P133 K134 T135	I47-R128 WeakPolarHBondContact CA-O 3.45Å; I48-R128 HydrophobicContact CB-CB 4.36Å; I48-R128 PolarHBondContact N-O 3.3Å; I48-R128 PolarHBondContact O-N 2.8Å; D50-R128 WeakPolarHBondContact OD2-CD 3.12Å; D50-R128 IonicContact OD2-CZ 3.73Å; D50-R128 IonicContact OD2-NE 2.73Å; D50-R128 PolarHBondContact OD2-NE 3.02Å; R128-G130 PolarHBondContact O-N 2.97Å; R128-P133 WeakPolarHBondContact CD-O 3.46Å; R128-P133 PolarHBondContact NH1-O 3.39Å; R128-K134 PolarHBondContact NH1-O 3.4Å; R128-T135 VanDerWaalsContact CA-O 3.28Å; R128-T135 WeakPolarHBondContact CA-O 3.34Å
129	D	94.3	Very high	91.8	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	122.8	170.7	-174.1	-17.7	0	0	0	109	L44 E131 N132 P133 T135 I137	L44-D129 HydrophobicContact CD2-CB 4.31Å; D129-E131 PolarHBondContact O-N 2.93Å; D129-E131 PolarHBondContact OD1-N 2.8Å; D129-N132 HydrophobicContact CB-CB 4.41Å; D129-N132 CarbonylContact O-C 3.57Å; D129-N132 PolarHBondContact O-N 2.92Å; D129-P133 VanDerWaalsContact O-CA 3.24Å; D129-P133 WeakPolarHBondContact O-CA 3.38Å; D129-T135 PolarHBondContact N-O 2.87Å; D129-T135 VanDerWaalsContact N-O 3.07Å; D129-I137 HydrophobicContact CB-CG2 3.88Å
130	G	93.3	Very high	92.6	Very high	16 Å²	16	39 Å²	39	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	-69.1	-20.8	-179.6	0	0	0	0	0	114	S46 R128	S46-G130 PolarHBondContact O-N 3.14Å; S46-G130 VanDerWaalsContact OG-CA 3.29Å; S46-G130 WeakPolarHBondContact OG-CA 3.24Å; R128-G130 PolarHBondContact O-N 2.97Å
131	E	92.6	Very high	93	Very high	127 Å²	127	42.2 Å²	42.2	59%	0.593	22%	0.217	S	C	*	.	S	Bend	trans	-84.9	-27.4	173.4	-61.9	-175.2	160.1	0	0	111.9	N45 D129	N45-E131 WeakPolarHBondContact CB-OE1 3.44Å; N45-E131 PolarHBondContact ND2-OE1 2.8Å; N45-E131 PolarHBondContact ND2-OE2 2.82Å; D129-E131 PolarHBondContact O-N 2.93Å; D129-E131 PolarHBondContact OD1-N 2.8Å
132	N	92.7	Very high	93.1	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	22%	0.219	S	C	.	.	S	Bend	trans	-132.7	79.8	173.9	-173.2	5.4	0	0	0	111.5	D129 K134 T135	D129-N132 HydrophobicContact CB-CB 4.41Å; D129-N132 CarbonylContact O-C 3.57Å; D129-N132 PolarHBondContact O-N 2.92Å; N132-K134 PolarHBondContact O-N 3.47Å; N132-T135 PolarHBondContact ND2-OG1 3.26Å; N132-T135 VanDerWaalsContact ND2-OG1 3.08Å; N132-T135 WeakPolarHBondContact O-CB 3.09Å; N132-T135 PolarHBondContact O-N 3.38Å
133	P	90.7	Very high	93	Very high	63 Å²	63	46.9 Å²	46.9	41%	0.409	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16	-172.2	-25.4	34.6	0	0	0	114.8	I48 R128 D129 T135	I48-P133 HydrophobicContact CD1-CB 4.31Å; I48-P133 HydrophobicContact CD1-CG 3.98Å; R128-P133 WeakPolarHBondContact CD-O 3.46Å; R128-P133 PolarHBondContact NH1-O 3.39Å; D129-P133 VanDerWaalsContact O-CA 3.24Å; D129-P133 WeakPolarHBondContact O-CA 3.38Å; P133-T135 PolarHBondContact O-N 2.84Å
134	K	90.3	Very high	92.6	Very high	186 Å²	186	47.2 Å²	47.2	81%	0.809	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.2	174.7	-65.7	-176.5	179.3	-179.5	0	112.5	R128 N132	R128-K134 PolarHBondContact NH1-O 3.4Å; N132-K134 PolarHBondContact O-N 3.47Å
135	T	92.1	Very high	91.9	Very high	59 Å²	59	50.5 Å²	50.5	36%	0.362	25%	0.254	S	S	.	.	S	Bend	trans	-89.8	109.7	-178.8	-61.9	0	0	0	0	110.4	R128 D129 N132 P133 I137	R128-T135 VanDerWaalsContact CA-O 3.28Å; R128-T135 WeakPolarHBondContact CA-O 3.34Å; D129-T135 PolarHBondContact N-O 2.87Å; D129-T135 VanDerWaalsContact N-O 3.07Å; N132-T135 PolarHBondContact ND2-OG1 3.26Å; N132-T135 VanDerWaalsContact ND2-OG1 3.08Å; N132-T135 WeakPolarHBondContact O-CB 3.09Å; N132-T135 PolarHBondContact O-N 3.38Å; P133-T135 PolarHBondContact O-N 2.84Å; T135-I137 HydrophobicContact CG2-CG2 4.21Å; T135-I137 PolarHBondContact O-N 2.78Å
136	E	94.8	Very high	90.9	Very high	39 Å²	39	51.1 Å²	51.1	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.7	164.9	-173.3	171.1	141.2	0	0	109	H5 L127 C139	H5-E136 IonicContact CE1-OE1 2.68Å; H5-E136 PolarHBondContact CE1-OE1 2.92Å; H5-E136 IonicContact NE2-OE1 3.17Å; H5-E136 PolarHBondContact NE2-OE1 2.86Å; L127-E136 CarbonylContact O-C 3.55Å; E136-C139 VanDerWaalsContact OE1-CB 3.31Å; E136-C139 WeakPolarHBondContact OE1-CB 3.25Å; E136-C139 PolarHBondContact OE1-SG 3.04Å; E136-C139 VanDerWaalsContact OE1-SG 3.34Å
137	I	94.9	Very high	89.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-17.3	-179.2	55.4	165.3	0	0	0	111.8	H5 S6 L7 L44 I47 L127 D129 T135	H5-I137 WeakPolarHBondContact CB-O 3.11Å; S6-I137 PolarHBondContact N-O 3.26Å; S6-I137 WeakPolarHBondContact OG-CB 3.41Å; S6-I137 WeakPolarHBondContact OG-CG2 3.25Å; L7-I137 WeakPolarHBondContact CA-O 3.32Å; L7-I137 WeakPolarHBondContact CB-O 3.4Å; L7-I137 HydrophobicContact CD1-CD1 4.31Å; L7-I137 PolarHBondContact N-O 3.4Å; L44-I137 HydrophobicContact CD1-CD1 3.55Å; L44-I137 HydrophobicContact CD2-CD1 4.26Å; L44-I137 HydrophobicContact CD2-CG2 3.97Å; L44-I137 HydrophobicContact CG-CD1 4.48Å; I47-I137 HydrophobicContact CB-CD1 4.48Å; I47-I137 HydrophobicContact CD1-CD1 3.9Å; I47-I137 HydrophobicContact CG1-CD1 3.78Å; I47-I137 HydrophobicContact CG2-CD1 4.05Å; L127-I137 VanDerWaalsContact C-CG1 3.49Å; L127-I137 HydrophobicContact CB-CD1 4.26Å; L127-I137 HydrophobicContact CB-CG1 3.91Å; L127-I137 WeakPolarHBondContact O-CG1 3.46Å; L127-I137 PolarHBondContact O-N 2.7Å; D129-I137 HydrophobicContact CB-CG2 3.88Å; T135-I137 HydrophobicContact CG2-CG2 4.21Å; T135-I137 PolarHBondContact O-N 2.78Å
138	G	94.5	Very high	87.3	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	168.5	176.4	0	0	0	0	0	111.1	L127	L127-G138 WeakPolarHBondContact CA-O 3.17Å; L127-G138 WeakPolarHBondContact CB-O 3.43Å; L127-G138 PolarHBondContact N-O 2.89Å; L127-G138 PolarHBondContact O-N 3.39Å
139	C	94.9	Very high	87	Confident	64 Å²	64	60.8 Å²	60.8	43%	0.432	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.7	177.4	52.2	0	0	0	0	111	H5 I125 E136	H5-C139 VanDerWaalsContact CE1-SG 3.58Å; I125-C139 CarbonylContact O-C 3.55Å; I125-C139 WeakPolarHBondContact O-CA 3.31Å; I125-C139 WeakPolarHBondContact O-CB 3.18Å; E136-C139 VanDerWaalsContact OE1-CB 3.31Å; E136-C139 WeakPolarHBondContact OE1-CB 3.25Å; E136-C139 PolarHBondContact OE1-SG 3.04Å; E136-C139 VanDerWaalsContact OE1-SG 3.34Å
140	L	93.4	Very high	86.6	Confident	18 Å²	18	62.9 Å²	62.9	9%	0.094	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.2	178.8	60.5	105.2	0	0	0	110.9	I9 L33 V35 L95 I125 L127 V142	I9-L140 HydrophobicContact CD1-CB 3.8Å; I9-L140 HydrophobicContact CD1-CD2 3.52Å; I9-L140 HydrophobicContact CD1-CG 4.25Å; L33-L140 HydrophobicContact CD1-CD1 4.49Å; V35-L140 HydrophobicContact CG2-CD2 4.48Å; L95-L140 HydrophobicContact CD1-CD2 4.4Å; I125-L140 HydrophobicContact CB-CD1 4.08Å; I125-L140 HydrophobicContact CB-CG 4.02Å; I125-L140 HydrophobicContact CD1-CD1 3.55Å; I125-L140 HydrophobicContact CD1-CG 4.42Å; I125-L140 HydrophobicContact CG1-CD1 4.33Å; I125-L140 HydrophobicContact CG2-CG 4.39Å; I125-L140 PolarHBondContact N-O 3.28Å; I125-L140 PolarHBondContact O-N 3.32Å; L127-L140 HydrophobicContact CD1-CD2 4.03Å; L127-L140 HydrophobicContact CG-CD2 4.5Å; L140-V142 HydrophobicContact CD1-CG2 3.72Å
141	R	93.2	Very high	86.2	Confident	90 Å²	90	65.6 Å²	65.6	34%	0.34	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.2	174.4	-179.1	175.7	173.8	89.8	-3.4	109.6	M123 N124 E143	M123-R141 WeakPolarHBondContact O-CA 3.4Å; N124-R141 PolarHBondContact ND2-NH1 3.47Å; N124-R141 WeakPolarHBondContact OD1-CD 3.19Å; N124-R141 WeakPolarHBondContact OD1-CG 3.37Å; N124-R141 PolarHBondContact OD1-NH1 3.24Å; R141-E143 HydrophobicContact CG-CG 4.24Å; R141-E143 IonicContact CZ-OE1 3.21Å; R141-E143 IonicContact NE-OE1 2.7Å; R141-E143 PolarHBondContact NE-OE1 3.4Å; R141-E143 IonicContact NH2-OE1 2.86Å; R141-E143 PolarHBondContact NH2-OE1 2.03Å
142	V	89	Confident	85.8	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.8	175.1	168.4	0	0	0	0	108.4	I14 L33 A122 M123 I125 L140	I14-V142 HydrophobicContact CD1-CB 4.47Å; I14-V142 HydrophobicContact CD1-CG1 3.39Å; I14-V142 HydrophobicContact CD1-CG2 4.32Å; L33-V142 HydrophobicContact CD2-CG2 3.86Å; A122-V142 CarbonylContact C-O 3.46Å; A122-V142 WeakPolarHBondContact CA-O 3.29Å; M123-V142 HydrophobicContact CB-CB 4.4Å; M123-V142 HydrophobicContact CE-CB 3.7Å; M123-V142 HydrophobicContact CE-CG1 3.37Å; M123-V142 HydrophobicContact CE-CG2 4.49Å; M123-V142 PolarHBondContact N-O 2.91Å; M123-V142 PolarHBondContact O-N 3.03Å; I125-V142 HydrophobicContact CD1-CG2 4.33Å; L140-V142 HydrophobicContact CD1-CG2 3.72Å
143	E	87.4	Confident	85.4	Confident	91 Å²	91	61.1 Å²	61.1	43%	0.425	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.2	173.3	-56.3	-167.1	163	0	0	110	Y23 W66 Y121 A122 R141	Y23-E143 PolarHBondContact OH-O 2.96Å; W66-E143 HydrophobicContact CH2-CG 4.32Å; W66-E143 HydrophobicContact CZ2-CG 4.43Å; W66-E143 VanDerWaalsContact CZ2-OE1 3.25Å; W66-E143 WeakPolarHBondContact CZ2-OE1 3.15Å; Y121-E143 WeakPolarHBondContact O-CA 3.33Å; A122-E143 HydrophobicContact CB-CG 3.91Å; R141-E143 HydrophobicContact CG-CG 4.24Å; R141-E143 IonicContact CZ-OE1 3.21Å; R141-E143 IonicContact NE-OE1 2.7Å; R141-E143 PolarHBondContact NE-OE1 3.4Å; R141-E143 IonicContact NH2-OE1 2.86Å; R141-E143 PolarHBondContact NH2-OE1 2.03Å
144	S	82.3	Confident	85	Confident	7 Å²	7	60.9 Å²	60.9	5%	0.049	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	172	-177.3	175.3	0	0	0	0	111	Y23 V120 Y121	Y23-S144 WeakPolarHBondContact CE1-OG 3.4Å; V120-S144 WeakPolarHBondContact CA-O 3.29Å; Y121-S144 WeakPolarHBondContact CD1-O 3.44Å; Y121-S144 VanDerWaalsContact CZ-CB 3.41Å; Y121-S144 PolarHBondContact N-O 3.49Å; Y121-S144 PolarHBondContact O-N 2.84Å; Y121-S144 VanDerWaalsContact OH-CB 3.25Å; Y121-S144 WeakPolarHBondContact OH-CB 3.11Å; Y121-S144 PolarHBondContact OH-OG 3.07Å
145	K	79.4	Confident	84.7	Confident	117 Å²	117	52 Å²	52	51%	0.509	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.5	174.7	-172.6	179	-179.7	-179.6	0	108.8	P24 Q118 G119 V120 S147	P24-K145 WeakPolarHBondContact CB-O 3.04Å; Q118-K145 WeakPolarHBondContact O-CE 3.26Å; G119-K145 CarbonylContact O-C 3.55Å; G119-K145 WeakPolarHBondContact O-CA 3.07Å; V120-K145 HydrophobicContact CG2-CB 4.39Å; V120-K145 HydrophobicContact CG2-CG 4.33Å; K145-S147 PolarHBondContact O-N 2.88Å
146	I	73.4	Confident	84.1	Confident	14 Å²	14	51.5 Å²	51.5	7%	0.072	26%	0.263	C	S	.	.			trans	-73.2	125	173.9	-63.2	178	0	0	0	108.5	I106 L109 A110 G119 Y121	I106-I146 HydrophobicContact CG2-CD1 4.34Å; L109-I146 HydrophobicContact CB-CD1 3.55Å; L109-I146 HydrophobicContact CD1-CD1 4.42Å; A110-I146 HydrophobicContact CB-CD1 4.19Å; A110-I146 HydrophobicContact CB-CG2 4.4Å; G119-I146 PolarHBondContact O-N 2.91Å; Y121-I146 HydrophobicContact CD1-CD1 4.09Å; Y121-I146 HydrophobicContact CD1-CG1 3.45Å; Y121-I146 VanDerWaalsContact CD1-CG1 3.45Å; Y121-I146 HydrophobicContact CE1-CB 4.48Å; Y121-I146 HydrophobicContact CE1-CD1 4.43Å; Y121-I146 HydrophobicContact CE1-CG1 3.46Å; Y121-I146 VanDerWaalsContact CE1-CG1 3.46Å; Y121-I146 HydrophobicContact CG-CG1 4.46Å
147	S	63.9	Low	83.2	Confident	52 Å²	52	52.5 Å²	52.5	36%	0.364	27%	0.27	S	S	.	.			trans	-82.2	123.2	157.1	-170	0	0	0	0	108.3	K145	K145-S147 PolarHBondContact O-N 2.88Å
148	N	52	Low	82.1	Confident	167 Å²	167	57.1 Å²	57.1	89%	0.893	29%	0.294	S	S	*	.			trans	-73.4	0	160.1	-86.3	-29.8	0	0	0	110.6	K28	K28-N148 PolarHBondContact NZ-OD1 3.38Å

Retrieved 148 of 148 residues in 41.2 ms (Link to these results)

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