A0A060WSW8_ONCMY Loading...

Translocon-associated protein subunit beta

TRAP proteins are part of a complex whose function is to bind calcium to the ER membrane and thereby regulate the retention of ER resident proteins.

AlphaFold DB , UniProt , Accession A0A060WSW8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 184 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59	Low	65.1	Low	188 Å²	188	124.5 Å²	124.5	93%	0.926	65%	0.646	S	S	*	*				0	-43.3	0	-73.7	-156.1	-96.3	0	0	114.2	A3 L4 Y5	M1-A3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-Y5 VanDerWaalsContact O-CD2 3.29Å; M1-Y5 WeakPolarHBondContact O-CD2 3.26Å
2	R	57.4	Low	64.7	Low	226 Å²	226	125.7 Å²	125.7	85%	0.853	65%	0.653	S	S	*	*	H	α-helix	trans	-61.5	-35.9	179.3	-68.9	-176.1	174.7	-173.7	-2.2	114.9	L4 Y5 V6	R2-L4 VanDerWaalsContact C-N 3.33Å; R2-L4 PolarHBondContact O-N 3.37Å; R2-Y5 PolarHBondContact O-N 3.02Å; R2-V6 WeakPolarHBondContact O-CG2 3.44Å; R2-V6 PolarHBondContact O-N 3.24Å
3	A	62	Low	64.2	Low	68 Å²	68	126.2 Å²	126.2	56%	0.562	66%	0.656	S	S	*	*	H	α-helix	trans	-67.5	-29	178.1	0	0	0	0	0	114	M1 V6 F7	M1-A3 PolarHBondContact O-N 3.32Å; A3-V6 PolarHBondContact O-N 3.14Å; A3-F7 PolarHBondContact O-N 3.31Å; A3-F7 VanDerWaalsContact O-N 3.08Å
4	L	63.8	Low	63.7	Low	131 Å²	131	121 Å²	121	69%	0.686	65%	0.648	S	S	*	*	H	α-helix	trans	-69.5	-38.7	177.1	-88	152.2	0	0	0	111.8	M1 R2 V6 F7 A8	M1-L4 PolarHBondContact O-N 2.93Å; R2-L4 VanDerWaalsContact C-N 3.33Å; R2-L4 PolarHBondContact O-N 3.37Å; L4-V6 VanDerWaalsContact C-N 3.34Å; L4-F7 PolarHBondContact O-N 2.85Å; L4-A8 WeakPolarHBondContact O-CB 3.31Å; L4-A8 PolarHBondContact O-N 3Å
5	Y	67	Low	63.3	Low	169 Å²	169	123 Å²	123	66%	0.663	66%	0.658	S	S	*	*	H	α-helix	trans	-66.4	-35.9	174.9	-72.5	-73.4	0	0	0	112.3	M1 R2 A8 L9	M1-Y5 VanDerWaalsContact O-CD2 3.29Å; M1-Y5 WeakPolarHBondContact O-CD2 3.26Å; R2-Y5 PolarHBondContact O-N 3.02Å; Y5-A8 PolarHBondContact O-N 2.87Å; Y5-L9 WeakPolarHBondContact O-CB 3.12Å; Y5-L9 PolarHBondContact O-N 2.66Å
6	V	73.6	Confident	62.6	Low	85 Å²	85	119.5 Å²	119.5	52%	0.515	66%	0.66	S	S	.	*	H	α-helix	trans	-68.9	-43	177.1	176.7	0	0	0	0	111.2	R2 A3 L4 L9 L10	R2-V6 WeakPolarHBondContact O-CG2 3.44Å; R2-V6 PolarHBondContact O-N 3.24Å; A3-V6 PolarHBondContact O-N 3.14Å; L4-V6 VanDerWaalsContact C-N 3.34Å; V6-L9 PolarHBondContact O-N 3.17Å; V6-L10 HydrophobicContact CG1-CD1 3.88Å; V6-L10 PolarHBondContact O-N 3.24Å
7	F	68.7	Low	61.9	Low	165 Å²	165	120.1 Å²	120.1	72%	0.724	67%	0.668	S	S	*	*	H	α-helix	trans	-66	-37	174.6	-98.2	-82.2	0	0	0	112.8	A3 L4 L10 G11	A3-F7 PolarHBondContact O-N 3.31Å; A3-F7 VanDerWaalsContact O-N 3.08Å; L4-F7 PolarHBondContact O-N 2.85Å; F7-L10 PolarHBondContact O-N 2.94Å; F7-G11 PolarHBondContact O-N 2.86Å
8	A	69.7	Low	61.6	Low	57 Å²	57	116.5 Å²	116.5	47%	0.471	66%	0.662	S	S	.	*	H	α-helix	trans	-65.9	-38.3	173.7	0	0	0	0	0	112.2	L4 Y5 G11 L12	L4-A8 WeakPolarHBondContact O-CB 3.31Å; L4-A8 PolarHBondContact O-N 3Å; Y5-A8 PolarHBondContact O-N 2.87Å; A8-G11 PolarHBondContact O-N 3.25Å; A8-L12 PolarHBondContact O-N 3.26Å; A8-L12 VanDerWaalsContact O-N 3.12Å
9	L	66.6	Low	61.7	Low	117 Å²	117	118.8 Å²	118.8	61%	0.613	67%	0.667	S	S	*	*	H	α-helix	trans	-67.6	-41.7	175.5	-121.9	111.6	0	0	0	112.3	Y5 V6 L12 L13	Y5-L9 WeakPolarHBondContact O-CB 3.12Å; Y5-L9 PolarHBondContact O-N 2.66Å; V6-L9 PolarHBondContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10	L	65.2	Low	62.4	Low	116 Å²	116	121.5 Å²	121.5	61%	0.607	67%	0.674	S	S	*	*	H	α-helix	trans	-67.2	-36.9	175.5	-101	117.5	0	0	0	112.4	V6 F7 L12 L13 G14	V6-L10 HydrophobicContact CG1-CD1 3.88Å; V6-L10 PolarHBondContact O-N 3.24Å; F7-L10 PolarHBondContact O-N 2.94Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.03Å; L10-L13 PolarHBondContact O-N 2.86Å; L10-G14 PolarHBondContact O-N 3.43Å
11	G	62.7	Low	63.4	Low	47 Å²	47	116.1 Å²	116.1	49%	0.485	65%	0.646	S	S	.	*	H	α-helix	trans	-63.4	-34.5	173.5	0	0	0	0	0	113	F7 A8	F7-G11 PolarHBondContact O-N 2.86Å; A8-G11 PolarHBondContact O-N 3.25Å
12	L	60.5	Low	64.8	Low	139 Å²	139	107.5 Å²	107.5	73%	0.728	61%	0.605	S	S	*	*	H	α-helix	trans	-71.6	-36	173	-108	105.9	0	0	0	113	A8 L9 L10	A8-L12 PolarHBondContact O-N 3.26Å; A8-L12 VanDerWaalsContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.03Å
13	L	59	Low	66.5	Low	133 Å²	133	103.4 Å²	103.4	70%	0.696	59%	0.589	S	S	*	*	H	α-helix	trans	-73.1	-27.6	178.9	-80.4	156	0	0	0	113	L9 L10 L15	L9-L13 PolarHBondContact O-N 3.35Å; L9-L13 VanDerWaalsContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 2.86Å; L13-L15 VanDerWaalsContact C-N 3.3Å; L13-L15 PolarHBondContact O-N 3.36Å
14	G	56.7	Low	68.1	Low	53 Å²	53	101.2 Å²	101.2	55%	0.546	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-75	-10.3	-179.7	0	0	0	0	0	115.6	L10 G16	L10-G14 PolarHBondContact O-N 3.43Å; G14-G16 VanDerWaalsContact C-N 3.29Å; G14-G16 PolarHBondContact O-N 2.76Å
15	L	57.2	Low	69.6	Low	151 Å²	151	99.4 Å²	99.4	79%	0.791	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-85	1.4	-179	-73	164.5	0	0	0	113.8	L13	L13-L15 VanDerWaalsContact C-N 3.3Å; L13-L15 PolarHBondContact O-N 3.36Å
16	G	51.9	Low	71	Confident	67 Å²	67	92.4 Å²	92.4	69%	0.691	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-94.8	10.6	-172.8	0	0	0	0	0	116.1	G14 G18	G14-G16 VanDerWaalsContact C-N 3.29Å; G14-G16 PolarHBondContact O-N 2.76Å; G16-G18 PolarHBondContact O-N 2.85Å
17	T	52	Low	72.1	Confident	130 Å²	130	90.2 Å²	90.2	80%	0.798	52%	0.524	S	S	*	.			trans	-80.7	72.1	174	61.4	0	0	0	0	110
18	G	56.3	Low	73.4	Confident	55 Å²	55	82.6 Å²	82.6	57%	0.567	49%	0.49	S	S	*	.			trans	-68.4	129.3	166.7	0	0	0	0	0	109.2	G16 E20	G16-G18 PolarHBondContact O-N 2.85Å; G18-E20 PolarHBondContact O-N 3.38Å
19	E	63.7	Low	74.6	Confident	161 Å²	161	81.6 Å²	81.6	75%	0.752	48%	0.48	S	S	*	.			trans	-53.9	124	171.1	-68.1	176.1	125.7	0	0	109.1	G21 R23	E19-G21 PolarHBondContact O-N 3.33Å; E19-R23 IonicContact OE2-NH1 3.83Å
20	E	74.1	Confident	75.9	Confident	171 Å²	171	78.5 Å²	78.5	80%	0.799	46%	0.464	S	S	*	.	S	Bend	trans	-73.7	115.8	-179.6	-73	-178.8	167.4	0	0	110.1	G18 Q116	G18-E20 PolarHBondContact O-N 3.38Å; E20-Q116 PolarHBondContact O-NE2 3.15Å
21	G	84.3	Confident	77.2	Confident	9 Å²	9	77.5 Å²	77.5	9%	0.093	46%	0.459	C	S	.	.	S	Bend	trans	150.6	177.5	178.5	0	0	0	0	0	113.8	E19 G51 T52 S53	E19-G21 PolarHBondContact O-N 3.33Å; G21-G51 CarbonylContact O-C 3.58Å; G21-G51 VanDerWaalsContact O-CA 3.28Å; G21-G51 WeakPolarHBondContact O-CA 3.4Å; G21-T52 PolarHBondContact N-OG1 2.81Å; G21-T52 PolarHBondContact O-N 3.08Å; G21-S53 VanDerWaalsContact CA-OG 3.28Å; G21-S53 WeakPolarHBondContact CA-OG 3.28Å
22	A	89.3	Confident	78.7	Confident	7 Å²	7	77.5 Å²	77.5	6%	0.058	45%	0.447	C	S	.	.			trans	-80.9	138	177.5	0	0	0	0	0	109.8	S53 A55 Y113 A115	A22-S53 WeakPolarHBondContact CB-O 3.45Å; A22-S53 PolarHBondContact N-OG 2.86Å; A22-A55 VanDerWaalsContact CB-CA 3.5Å; A22-A55 HydrophobicContact CB-CB 3.72Å; A22-Y113 HydrophobicContact CB-CE2 4.37Å; A22-Y113 WeakPolarHBondContact O-CE2 3.36Å; A22-Y113 PolarHBondContact O-OH 3.21Å; A22-A115 PolarHBondContact N-O 2.83Å
23	R	92.6	Very high	80.1	Confident	141 Å²	141	81 Å²	81	53%	0.532	45%	0.451	S	S	.	.			trans	-134.8	116.1	179.7	-171.2	176.4	-163.5	157.6	9.7	108.7	E19 N49 V50 G51	E19-R23 IonicContact OE2-NH1 3.83Å; R23-N49 PolarHBondContact N-OD1 3.16Å; R23-N49 CarbonylContact O-C 3.53Å; R23-N49 WeakPolarHBondContact O-CA 3.18Å; R23-N49 PolarHBondContact O-OD1 2.9Å; R23-V50 HydrophobicContact CB-CG2 3.98Å; R23-V50 HydrophobicContact CG-CG2 3.95Å; R23-V50 WeakPolarHBondContact O-CG2 3.48Å; R23-V50 PolarHBondContact O-N 2.83Å; R23-G51 PolarHBondContact O-N 3.48Å
24	L	95.1	Very high	81.6	Confident	22 Å²	22	79.1 Å²	79.1	12%	0.115	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.1	-179.3	-60.1	-171.9	0	0	0	110.9	I47 Y48 N49 A55 V58 V111 Y113	L24-I47 HydrophobicContact CB-CG2 4.21Å; L24-I47 HydrophobicContact CD1-CG2 3.93Å; L24-I47 HydrophobicContact CD2-CG2 4.19Å; L24-I47 HydrophobicContact CG-CG2 4.34Å; L24-Y48 CarbonylContact C-O 3.57Å; L24-Y48 WeakPolarHBondContact CA-O 3.28Å; L24-N49 HydrophobicContact CD2-CB 3.62Å; L24-A55 HydrophobicContact CD1-CB 3.97Å; L24-A55 HydrophobicContact CD2-CB 3.73Å; L24-A55 HydrophobicContact CG-CB 4.01Å; L24-V58 HydrophobicContact CD1-CB 4.48Å; L24-V58 HydrophobicContact CD1-CG1 3.7Å; L24-V58 HydrophobicContact CD1-CG2 3.92Å; L24-V111 HydrophobicContact CD1-CG1 4.24Å; L24-Y113 HydrophobicContact CB-CD1 4.23Å; L24-Y113 HydrophobicContact CB-CE1 3.87Å; L24-Y113 HydrophobicContact CD1-CD1 3.54Å; L24-Y113 HydrophobicContact CD1-CD2 4.08Å; L24-Y113 HydrophobicContact CD1-CE1 4.05Å; L24-Y113 HydrophobicContact CD1-CG 3.55Å; L24-Y113 HydrophobicContact CG-CD1 3.93Å; L24-Y113 HydrophobicContact CG-CD2 4.13Å; L24-Y113 HydrophobicContact CG-CE1 3.91Å; L24-Y113 HydrophobicContact CG-CE2 4.14Å; L24-Y113 HydrophobicContact CG-CG 4.03Å; L24-Y113 PolarHBondContact N-OH 2.95Å
25	L	95.7	Very high	83.3	Confident	93 Å²	93	77 Å²	77	49%	0.487	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.7	163.3	-61.7	-179.1	0	0	0	107.7	I47 Y48 V50	L25-I47 CarbonylContact O-C 3.42Å; L25-I47 WeakPolarHBondContact O-CA 3.45Å; L25-Y48 PolarHBondContact N-O 2.93Å; L25-Y48 PolarHBondContact O-N 3.07Å; L25-V50 HydrophobicContact CD1-CG1 3.77Å; L25-V50 HydrophobicContact CD1-CG2 4.04Å; L25-V50 HydrophobicContact CG-CG1 4.17Å; L25-V50 HydrophobicContact CG-CG2 3.88Å
26	A	96.3	Very high	85.1	Confident	22 Å²	22	70.1 Å²	70.1	18%	0.182	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.4	-178.7	0	0	0	0	0	110.8	N46 I47 V111 T126 S127	A26-N46 CarbonylContact C-O 3.53Å; A26-N46 VanDerWaalsContact CA-O 3.29Å; A26-N46 WeakPolarHBondContact CA-O 3.27Å; A26-I47 HydrophobicContact CB-CG1 4.14Å; A26-V111 HydrophobicContact CB-CG2 3.88Å; A26-T126 HydrophobicContact CB-CG2 3.8Å; A26-T126 WeakPolarHBondContact O-CA 3.38Å; A26-S127 PolarHBondContact O-N 3.17Å
27	S	96	Very high	87.2	Confident	38 Å²	38	69.9 Å²	69.9	27%	0.266	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.3	175.9	68.5	0	0	0	0	110.5	Y45 N46 S127	S27-Y45 CarbonylContact O-C 3.58Å; S27-Y45 WeakPolarHBondContact O-CA 3.41Å; S27-N46 PolarHBondContact N-O 2.84Å; S27-N46 PolarHBondContact O-N 2.77Å; S27-S127 WeakPolarHBondContact CA-OG 3.38Å
28	K	95.8	Very high	89.2	Confident	5 Å²	5	65.8 Å²	65.8	2%	0.022	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.9	172.6	178.3	-177.4	-177.7	173.1	0	107.8	Q44 Y45 D62 T107 T126 S127 P129	K28-Q44 CarbonylContact C-O 3.5Å; K28-Q44 WeakPolarHBondContact CA-O 3.37Å; K28-Y45 HydrophobicContact CB-CD1 4.09Å; K28-Y45 HydrophobicContact CB-CE1 4.21Å; K28-Y45 HydrophobicContact CD-CD1 4.37Å; K28-Y45 HydrophobicContact CD-CE1 3.65Å; K28-Y45 HydrophobicContact CG-CD1 4.01Å; K28-Y45 HydrophobicContact CG-CE1 3.69Å; K28-D62 WeakPolarHBondContact CE-OD2 3.41Å; K28-D62 IonicContact NZ-OD1 2.96Å; K28-D62 IonicContact NZ-OD2 3.25Å; K28-D62 PolarHBondContact NZ-OD2 2.89Å; K28-T107 PolarHBondContact NZ-O 2.94Å; K28-T126 WeakPolarHBondContact CB-OG1 3.13Å; K28-S127 WeakPolarHBondContact CB-O 3.27Å; K28-S127 PolarHBondContact N-OG 3.41Å; K28-S127 PolarHBondContact O-OG 2.86Å; K28-P129 HydrophobicContact CG-CG 4.25Å
29	S	94.7	Very high	91	Very high	37 Å²	37	67.6 Å²	67.6	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.2	177.2	58.4	0	0	0	0	110.7	Q44	S29-Q44 PolarHBondContact N-O 3.36Å; S29-Q44 PolarHBondContact O-N 3.23Å; S29-Q44 PolarHBondContact OG-O 3.04Å
30	L	94.2	Very high	92.5	Very high	52 Å²	52	63.3 Å²	63.3	27%	0.272	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.2	168.8	177.5	65.7	0	0	0	107.9	L41 L43 F106	L30-L41 HydrophobicContact CD1-CD1 3.5Å; L30-L41 VanDerWaalsContact CD1-CD1 3.5Å; L30-L41 HydrophobicContact CD1-CD2 4.2Å; L30-L41 HydrophobicContact CD1-CG 3.66Å; L30-L41 HydrophobicContact CD2-CD1 4.41Å; L30-L41 HydrophobicContact CG-CD1 4.5Å; L30-L43 HydrophobicContact CB-CD2 4.29Å; L30-L43 HydrophobicContact CD1-CD2 3.69Å; L30-F106 HydrophobicContact CD2-CE2 4.33Å; L30-F106 HydrophobicContact CD2-CZ 4.4Å
31	L	94.1	Very high	93.6	Very high	94 Å²	94	55.2 Å²	55.2	49%	0.492	28%	0.276	S	S	.	.			trans	-81.5	-22.5	-173.7	-60.2	-172.2	0	0	0	112.9	T42 Q44	L31-T42 HydrophobicContact CB-CG2 4.45Å; L31-T42 HydrophobicContact CD1-CG2 3.96Å; L31-T42 HydrophobicContact CG-CG2 4.46Å; L31-T42 PolarHBondContact N-O 2.83Å; L31-Q44 HydrophobicContact CD1-CB 3.95Å; L31-Q44 HydrophobicContact CD2-CB 4.15Å; L31-Q44 HydrophobicContact CG-CB 4.02Å
32	N	93.1	Very high	94.1	Very high	47 Å²	47	56.3 Å²	56.3	25%	0.251	28%	0.281	S	S	.	.			trans	-75.4	134.2	179.4	-68.5	66.2	0	0	0	111.4	Y34 D40 L41 T42	N32-Y34 VanDerWaalsContact C-N 3.32Å; N32-D40 PolarHBondContact ND2-O 3.12Å; N32-L41 HydrophobicContact CB-CD1 4.25Å; N32-T42 WeakPolarHBondContact OD1-CA 3.28Å; N32-T42 VanDerWaalsContact OD1-CB 3.31Å; N32-T42 WeakPolarHBondContact OD1-CB 3.42Å; N32-T42 PolarHBondContact OD1-N 3.4Å; N32-T42 PolarHBondContact OD1-OG1 3.46Å
33	R	89.7	Confident	94.4	Very high	212 Å²	212	56 Å²	56	80%	0.8	28%	0.278	S	S	*	.	S	Bend	trans	-68.4	-32	171.9	-171.5	173.2	-178	167.7	1.8	113
34	Y	90.4	Very high	94.6	Very high	95 Å²	95	51.8 Å²	51.8	37%	0.373	26%	0.264	S	S	.	.	S	Bend	trans	-133.2	128.7	177.9	-57.7	-71.8	0	0	0	109.3	N32 L135 F140 F144	N32-Y34 VanDerWaalsContact C-N 3.32Å; Y34-L135 HydrophobicContact CD1-CD1 4.37Å; Y34-F140 HydrophobicContact CD2-CE2 4.06Å; Y34-F140 HydrophobicContact CG-CE2 4.14Å; Y34-F144 HydrophobicContact CD1-CZ 4.45Å; Y34-F144 HydrophobicContact CE1-CE2 4.4Å; Y34-F144 AromaticContact CE1-CZ 3.83Å; Y34-F144 HydrophobicContact CE1-CZ 3.83Å; Y34-F144 HydrophobicContact CE2-CE1 4.28Å; Y34-F144 HydrophobicContact CE2-CZ 4.19Å; Y34-F144 AromaticContact CZ-CE1 3.98Å; Y34-F144 AromaticContact CZ-CZ 3.69Å
35	A	93.4	Very high	94.7	Very high	8 Å²	8	50.8 Å²	50.8	7%	0.066	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127	165.8	0	0	0	0	0	108.2	L41 I134 L135	A35-L41 HydrophobicContact CB-CD1 3.55Å; A35-I134 HydrophobicContact CB-CB 4.43Å; A35-I134 HydrophobicContact CB-CG1 4.04Å; A35-L135 PolarHBondContact O-N 2.79Å
36	V	94.9	Very high	94.7	Very high	6 Å²	6	47 Å²	47	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.4	-177.5	-170.3	0	0	0	0	108.8	G38 R39 L135 Q137 F140	V36-G38 PolarHBondContact O-N 2.92Å; V36-R39 HydrophobicContact CB-CB 4.13Å; V36-R39 HydrophobicContact CB-CG 4.04Å; V36-R39 HydrophobicContact CG1-CG 4.17Å; V36-R39 PolarHBondContact O-N 2.64Å; V36-R39 VanDerWaalsContact O-N 3.15Å; V36-L135 WeakPolarHBondContact CA-O 3.29Å; V36-Q137 HydrophobicContact CG1-CB 4.47Å; V36-F140 HydrophobicContact CG1-CB 3.81Å; V36-F140 HydrophobicContact CG1-CG 4.07Å; V36-F140 HydrophobicContact CG2-CB 4.2Å; V36-F140 HydrophobicContact CG2-CD2 3.4Å; V36-F140 VanDerWaalsContact CG2-CD2 3.4Å; V36-F140 HydrophobicContact CG2-CE2 3.87Å; V36-F140 HydrophobicContact CG2-CG 3.77Å
37	E	95.2	Very high	94.8	Very high	62 Å²	62	46 Å²	46	29%	0.29	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	131.3	171.1	179.6	-175.7	-145.6	0	0	110.9	R39 A101 L135 Q137	E37-R39 PolarHBondContact O-N 3.19Å; E37-A101 HydrophobicContact CB-CB 4.38Å; E37-L135 PolarHBondContact N-O 2.84Å; E37-Q137 PolarHBondContact O-OE1 2.81Å
38	G	94	Very high	94.8	Very high	45 Å²	45	48.8 Å²	48.8	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-0.3	179.3	0	0	0	0	0	115.3	V36 R97 P98	V36-G38 PolarHBondContact O-N 2.92Å; G38-R97 WeakPolarHBondContact O-CD 3.4Å; G38-P98 PolarHBondContact N-O 3.01Å
39	R	94.2	Very high	94.8	Very high	93 Å²	93	48.6 Å²	48.6	35%	0.351	24%	0.236	S	C	.	.	S	Bend	trans	-109.4	159.4	175.9	-58.2	-164.6	-174.2	-154.8	1	112.2	V36 E37 L41 P98 D141	V36-R39 HydrophobicContact CB-CB 4.13Å; V36-R39 HydrophobicContact CB-CG 4.04Å; V36-R39 HydrophobicContact CG1-CG 4.17Å; V36-R39 PolarHBondContact O-N 2.64Å; V36-R39 VanDerWaalsContact O-N 3.15Å; E37-R39 PolarHBondContact O-N 3.19Å; R39-L41 PolarHBondContact O-N 2.9Å; R39-P98 WeakPolarHBondContact O-CD 3.4Å; R39-D141 IonicContact NH2-OD1 3.84Å; R39-D141 PolarHBondContact NH2-OD1 3.31Å
40	D	96.4	Very high	94.8	Very high	71 Å²	71	50.7 Å²	50.7	38%	0.38	25%	0.247	S	C	.	.			trans	-71.2	129.7	-176.7	-65	-5.7	0	0	0	111.4	N32 V95 L96 R97	N32-D40 PolarHBondContact ND2-O 3.12Å; D40-V95 HydrophobicContact CB-CG1 3.78Å; D40-L96 CarbonylContact C-O 3.6Å; D40-R97 IonicContact OD1-CZ 3.73Å; D40-R97 VanDerWaalsContact OD1-CZ 3.31Å; D40-R97 IonicContact OD1-NE 3.8Å; D40-R97 PolarHBondContact OD1-NE 2.99Å; D40-R97 IonicContact OD1-NH2 3.31Å; D40-R97 PolarHBondContact OD1-NH2 2.85Å; D40-R97 IonicContact OD2-NH2 2.66Å
41	L	95.5	Very high	94.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.1	179.4	-170.6	78.7	0	0	0	108.4	L30 N32 A35 R39 F70 V95 L96 P98 F106	L30-L41 HydrophobicContact CD1-CD1 3.5Å; L30-L41 VanDerWaalsContact CD1-CD1 3.5Å; L30-L41 HydrophobicContact CD1-CD2 4.2Å; L30-L41 HydrophobicContact CD1-CG 3.66Å; L30-L41 HydrophobicContact CD2-CD1 4.41Å; L30-L41 HydrophobicContact CG-CD1 4.5Å; N32-L41 HydrophobicContact CB-CD1 4.25Å; A35-L41 HydrophobicContact CB-CD1 3.55Å; R39-L41 PolarHBondContact O-N 2.9Å; L41-F70 HydrophobicContact CD2-CE1 4.26Å; L41-V95 WeakPolarHBondContact O-CA 3.36Å; L41-L96 WeakPolarHBondContact CA-O 3.35Å; L41-L96 PolarHBondContact N-O 2.9Å; L41-L96 PolarHBondContact O-N 2.97Å; L41-P98 HydrophobicContact CB-CG 4.25Å; L41-P98 HydrophobicContact CD2-CG 4.36Å; L41-F106 HydrophobicContact CD2-CE1 3.71Å; L41-F106 HydrophobicContact CD2-CZ 4.03Å
42	T	95.9	Very high	94.4	Very high	32 Å²	32	49.2 Å²	49.2	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.4	-173.5	-51.6	0	0	0	0	110.3	L31 N32 T93 V95	L31-T42 HydrophobicContact CB-CG2 4.45Å; L31-T42 HydrophobicContact CD1-CG2 3.96Å; L31-T42 HydrophobicContact CG-CG2 4.46Å; L31-T42 PolarHBondContact N-O 2.83Å; N32-T42 WeakPolarHBondContact OD1-CA 3.28Å; N32-T42 VanDerWaalsContact OD1-CB 3.31Å; N32-T42 WeakPolarHBondContact OD1-CB 3.42Å; N32-T42 PolarHBondContact OD1-N 3.4Å; N32-T42 PolarHBondContact OD1-OG1 3.46Å; T42-T93 HydrophobicContact CG2-CG2 3.51Å; T42-V95 HydrophobicContact CG2-CG2 4.39Å
43	L	95.5	Very high	94.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.3	174.2	-63.6	168.7	0	0	0	109	L30 Y45 F65 T93 V94 L96 F106	L30-L43 HydrophobicContact CB-CD2 4.29Å; L30-L43 HydrophobicContact CD1-CD2 3.69Å; L43-Y45 HydrophobicContact CB-CE2 3.97Å; L43-F65 HydrophobicContact CD1-CD2 4.35Å; L43-F65 HydrophobicContact CD1-CE1 3.93Å; L43-F65 HydrophobicContact CD1-CE2 3.47Å; L43-F65 VanDerWaalsContact CD1-CE2 3.47Å; L43-F65 HydrophobicContact CD1-CZ 3.23Å; L43-F65 HydrophobicContact CD2-CZ 4.49Å; L43-F65 HydrophobicContact CG-CZ 4.47Å; L43-T93 WeakPolarHBondContact O-CA 3.47Å; L43-V94 PolarHBondContact N-O 2.91Å; L43-V94 PolarHBondContact O-N 2.83Å; L43-L96 HydrophobicContact CD1-CD1 3.68Å; L43-L96 HydrophobicContact CD1-CG 4.46Å; L43-F106 HydrophobicContact CD2-CD1 4.48Å
44	Q	96	Very high	94.6	Very high	53 Å²	53	39.8 Å²	39.8	25%	0.248	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.4	175.1	-179.3	-177.2	75.5	0	0	109.7	K28 S29 L31 N46	K28-Q44 CarbonylContact C-O 3.5Å; K28-Q44 WeakPolarHBondContact CA-O 3.37Å; S29-Q44 PolarHBondContact N-O 3.36Å; S29-Q44 PolarHBondContact O-N 3.23Å; S29-Q44 PolarHBondContact OG-O 3.04Å; L31-Q44 HydrophobicContact CD1-CB 3.95Å; L31-Q44 HydrophobicContact CD2-CB 4.15Å; L31-Q44 HydrophobicContact CG-CB 4.02Å; Q44-N46 PolarHBondContact OE1-ND2 3.46Å; Q44-N46 VanDerWaalsContact OE1-ND2 3.09Å
45	Y	96.9	Very high	94.8	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.3	174.8	-55.7	-93.2	0	0	0	107.9	S27 K28 L43 L60 D62 S91 H92 V94 A109 T126	S27-Y45 CarbonylContact O-C 3.58Å; S27-Y45 WeakPolarHBondContact O-CA 3.41Å; K28-Y45 HydrophobicContact CB-CD1 4.09Å; K28-Y45 HydrophobicContact CB-CE1 4.21Å; K28-Y45 HydrophobicContact CD-CD1 4.37Å; K28-Y45 HydrophobicContact CD-CE1 3.65Å; K28-Y45 HydrophobicContact CG-CD1 4.01Å; K28-Y45 HydrophobicContact CG-CE1 3.69Å; L43-Y45 HydrophobicContact CB-CE2 3.97Å; Y45-L60 HydrophobicContact CD1-CD1 4.02Å; Y45-L60 HydrophobicContact CD1-CD2 4.04Å; Y45-L60 HydrophobicContact CD2-CD2 4.13Å; Y45-L60 HydrophobicContact CG-CD1 4.49Å; Y45-L60 HydrophobicContact CG-CD2 3.72Å; Y45-D62 WeakPolarHBondContact CE1-OD2 3.29Å; Y45-D62 PolarHBondContact OH-OD2 2.96Å; Y45-S91 CarbonylContact O-C 3.51Å; Y45-S91 WeakPolarHBondContact O-CA 3.39Å; Y45-H92 PolarHBondContact N-O 3.42Å; Y45-H92 PolarHBondContact O-N 3.04Å; Y45-V94 HydrophobicContact CD2-CG2 4.4Å; Y45-V94 HydrophobicContact CE2-CB 4.36Å; Y45-V94 HydrophobicContact CE2-CG2 3.93Å; Y45-A109 HydrophobicContact CD1-CB 4.26Å; Y45-A109 HydrophobicContact CE1-CB 3.78Å; Y45-T126 HydrophobicContact CD1-CG2 4.37Å
46	N	96.8	Very high	94.9	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.6	175.9	-60.7	-63.6	0	0	0	108.6	A26 S27 Q44 Y48 S91	A26-N46 CarbonylContact C-O 3.53Å; A26-N46 VanDerWaalsContact CA-O 3.29Å; A26-N46 WeakPolarHBondContact CA-O 3.27Å; S27-N46 PolarHBondContact N-O 2.84Å; S27-N46 PolarHBondContact O-N 2.77Å; Q44-N46 PolarHBondContact OE1-ND2 3.46Å; Q44-N46 VanDerWaalsContact OE1-ND2 3.09Å; N46-Y48 HydrophobicContact CB-CD2 4.44Å; N46-Y48 HydrophobicContact CB-CE2 3.53Å; N46-S91 VanDerWaalsContact OD1-CB 3.28Å; N46-S91 WeakPolarHBondContact OD1-CB 3.45Å; N46-S91 PolarHBondContact OD1-OG 2.72Å
47	I	97.2	Very high	94.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.5	179.5	-56.9	172.7	0	0	0	107.4	L24 L25 A26 V58 L60 W81 I84 N89 V90 V111	L24-I47 HydrophobicContact CB-CG2 4.21Å; L24-I47 HydrophobicContact CD1-CG2 3.93Å; L24-I47 HydrophobicContact CD2-CG2 4.19Å; L24-I47 HydrophobicContact CG-CG2 4.34Å; L25-I47 CarbonylContact O-C 3.42Å; L25-I47 WeakPolarHBondContact O-CA 3.45Å; A26-I47 HydrophobicContact CB-CG1 4.14Å; I47-V58 HydrophobicContact CD1-CG1 4.43Å; I47-L60 HydrophobicContact CD1-CB 4.45Å; I47-W81 HydrophobicContact CD1-CE3 4.4Å; I47-W81 HydrophobicContact CD1-CH2 4.14Å; I47-W81 HydrophobicContact CD1-CZ3 3.69Å; I47-I84 HydrophobicContact CG2-CD1 4Å; I47-N89 CarbonylContact O-C 3.56Å; I47-N89 WeakPolarHBondContact O-CA 3.12Å; I47-N89 WeakPolarHBondContact O-CB 3.45Å; I47-V90 PolarHBondContact N-O 3.46Å; I47-V90 PolarHBondContact O-N 2.73Å; I47-V111 HydrophobicContact CD1-CG1 4.23Å; I47-V111 HydrophobicContact CD1-CG2 4.26Å
48	Y	96.7	Very high	94.9	Very high	96 Å²	96	40.1 Å²	40.1	38%	0.376	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.5	-177.9	-59.5	-89.7	0	0	0	109.4	L24 L25 N46 V50 N89	L24-Y48 CarbonylContact C-O 3.57Å; L24-Y48 WeakPolarHBondContact CA-O 3.28Å; L25-Y48 PolarHBondContact N-O 2.93Å; L25-Y48 PolarHBondContact O-N 3.07Å; N46-Y48 HydrophobicContact CB-CD2 4.44Å; N46-Y48 HydrophobicContact CB-CE2 3.53Å; Y48-V50 PolarHBondContact O-N 2.96Å; Y48-N89 HydrophobicContact CD1-CB 3.36Å; Y48-N89 HydrophobicContact CE1-CB 3.64Å; Y48-N89 HydrophobicContact CG-CB 4.13Å
49	N	95.6	Very high	95.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105.1	170.5	-172.5	1.3	0	0	0	109.9	R23 L24 G51 S53 A55 I84 A85 A87 S88	R23-N49 PolarHBondContact N-OD1 3.16Å; R23-N49 CarbonylContact O-C 3.53Å; R23-N49 WeakPolarHBondContact O-CA 3.18Å; R23-N49 PolarHBondContact O-OD1 2.9Å; L24-N49 HydrophobicContact CD2-CB 3.62Å; N49-G51 PolarHBondContact OD1-N 3.33Å; N49-S53 PolarHBondContact ND2-O 2.64Å; N49-A55 PolarHBondContact ND2-N 2.76Å; N49-I84 HydrophobicContact CB-CG2 3.85Å; N49-I84 PolarHBondContact ND2-O 3.48Å; N49-A85 WeakPolarHBondContact CB-O 3.39Å; N49-A85 PolarHBondContact ND2-O 3.36Å; N49-A87 VanDerWaalsContact O-CA 3.28Å; N49-A87 WeakPolarHBondContact O-CA 2.97Å; N49-A87 PolarHBondContact O-N 3.08Å; N49-S88 PolarHBondContact N-O 3.38Å
50	V	94.4	Very high	95.2	Very high	81 Å²	81	35.8 Å²	35.8	49%	0.491	19%	0.194	S	C	.	.			trans	-97.1	2.5	176.2	-58.7	0	0	0	0	112.5	R23 L25 Y48	R23-V50 HydrophobicContact CB-CG2 3.98Å; R23-V50 HydrophobicContact CG-CG2 3.95Å; R23-V50 WeakPolarHBondContact O-CG2 3.48Å; R23-V50 PolarHBondContact O-N 2.83Å; L25-V50 HydrophobicContact CD1-CG1 3.77Å; L25-V50 HydrophobicContact CD1-CG2 4.04Å; L25-V50 HydrophobicContact CG-CG1 4.17Å; L25-V50 HydrophobicContact CG-CG2 3.88Å; Y48-V50 PolarHBondContact O-N 2.96Å
51	G	91.1	Very high	95.2	Very high	13 Å²	13	33.2 Å²	33.2	13%	0.134	18%	0.182	C	C	.	.	S	Bend	trans	-79.7	173.1	176.2	0	0	0	0	0	113.2	G21 R23 N49 P86	G21-G51 CarbonylContact O-C 3.58Å; G21-G51 VanDerWaalsContact O-CA 3.28Å; G21-G51 WeakPolarHBondContact O-CA 3.4Å; R23-G51 PolarHBondContact O-N 3.48Å; N49-G51 PolarHBondContact OD1-N 3.33Å; G51-P86 WeakPolarHBondContact O-CB 3.16Å
52	T	90.3	Very high	95.2	Very high	101 Å²	101	33.3 Å²	33.3	62%	0.62	18%	0.182	S	C	*	.	S	Bend	trans	-87.4	-18.3	-179.7	54.3	0	0	0	0	112.9	G21	G21-T52 PolarHBondContact N-OG1 2.81Å; G21-T52 PolarHBondContact O-N 3.08Å
53	S	92.3	Very high	95	Very high	36 Å²	36	38.4 Å²	38.4	25%	0.252	21%	0.208	S	C	.	.	S	Bend	trans	-116	169.2	175.8	70.9	0	0	0	0	112.7	G21 A22 N49 A115	G21-S53 VanDerWaalsContact CA-OG 3.28Å; G21-S53 WeakPolarHBondContact CA-OG 3.28Å; A22-S53 WeakPolarHBondContact CB-O 3.45Å; A22-S53 PolarHBondContact N-OG 2.86Å; N49-S53 PolarHBondContact ND2-O 2.64Å; S53-A115 PolarHBondContact OG-O 3.25Å
54	A	93.8	Very high	94.8	Very high	26 Å²	26	39.7 Å²	39.7	22%	0.215	22%	0.217	C	C	.	.			trans	-74.7	135	176	0	0	0	0	0	111	R83 I84	A54-R83 HydrophobicContact CB-CG 3.78Å; A54-I84 CarbonylContact C-O 3.53Å; A54-I84 VanDerWaalsContact CA-O 3.27Å; A54-I84 WeakPolarHBondContact CA-O 3.44Å
55	A	94.8	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.7	169.1	0	0	0	0	0	108.8	A22 L24 N49 V58 R83 I84 Y113	A22-A55 VanDerWaalsContact CB-CA 3.5Å; A22-A55 HydrophobicContact CB-CB 3.72Å; L24-A55 HydrophobicContact CD1-CB 3.97Å; L24-A55 HydrophobicContact CD2-CB 3.73Å; L24-A55 HydrophobicContact CG-CB 4.01Å; N49-A55 PolarHBondContact ND2-N 2.76Å; A55-V58 HydrophobicContact CB-CG2 3.77Å; A55-R83 CarbonylContact O-C 3.54Å; A55-R83 VanDerWaalsContact O-CA 3.26Å; A55-R83 WeakPolarHBondContact O-CA 3.44Å; A55-I84 PolarHBondContact N-O 3.43Å; A55-I84 PolarHBondContact O-N 3.12Å; A55-Y113 HydrophobicContact CB-CD2 3.93Å; A55-Y113 HydrophobicContact CB-CG 4.47Å
56	L	95.2	Very high	94.5	Very high	40 Å²	40	39.3 Å²	39.3	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.5	-178.5	-56	172.7	0	0	0	110.3	V58 D82 R83 L114 E117	L56-V58 VanDerWaalsContact C-N 3.28Å; L56-V58 PolarHBondContact O-N 2.78Å; L56-D82 WeakPolarHBondContact CA-O 3.48Å; L56-R83 HydrophobicContact CD2-CB 4.14Å; L56-R83 HydrophobicContact CD2-CG 3.82Å; L56-L114 HydrophobicContact CB-CB 4.16Å; L56-L114 PolarHBondContact N-O 3.29Å; L56-L114 PolarHBondContact O-N 3.47Å; L56-E117 HydrophobicContact CD1-CB 3.88Å; L56-E117 HydrophobicContact CD1-CG 4.26Å
57	E	95.1	Very high	94.3	Very high	138 Å²	138	43.6 Å²	43.6	65%	0.645	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	48.1	49.4	176	-59.8	-173.3	177.2	0	0	112.7	E59 W81 D82 L114	E57-E59 PolarHBondContact O-N 3.41Å; E57-W81 CarbonylContact C-O 3.59Å; E57-D82 PolarHBondContact N-O 2.96Å; E57-L114 HydrophobicContact CB-CD1 4.24Å; E57-L114 HydrophobicContact CG-CD1 4.23Å
58	V	95.9	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.6	-178.2	-173.3	0	0	0	0	108.8	L24 I47 A55 L56 K80 W81 I84 V111 S112	L24-V58 HydrophobicContact CD1-CB 4.48Å; L24-V58 HydrophobicContact CD1-CG1 3.7Å; L24-V58 HydrophobicContact CD1-CG2 3.92Å; I47-V58 HydrophobicContact CD1-CG1 4.43Å; A55-V58 HydrophobicContact CB-CG2 3.77Å; L56-V58 VanDerWaalsContact C-N 3.28Å; L56-V58 PolarHBondContact O-N 2.78Å; V58-K80 CarbonylContact O-C 3.57Å; V58-K80 VanDerWaalsContact O-CA 3.29Å; V58-K80 WeakPolarHBondContact O-CA 3.34Å; V58-W81 HydrophobicContact CB-CB 4.44Å; V58-W81 HydrophobicContact CB-CE3 4.32Å; V58-W81 HydrophobicContact CG1-CE3 4.13Å; V58-W81 PolarHBondContact N-O 3.31Å; V58-W81 PolarHBondContact O-N 3.12Å; V58-I84 HydrophobicContact CB-CD1 4.12Å; V58-I84 HydrophobicContact CB-CG1 4.49Å; V58-I84 HydrophobicContact CG1-CD1 4Å; V58-I84 HydrophobicContact CG2-CD1 3.86Å; V58-I84 HydrophobicContact CG2-CG1 3.94Å; V58-V111 HydrophobicContact CG1-CG1 3.95Å; V58-S112 CarbonylContact C-O 3.56Å; V58-S112 WeakPolarHBondContact CA-O 3.31Å
59	E	96.8	Very high	93.9	Very high	45 Å²	45	46.9 Å²	46.9	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.2	177	173.3	169.7	-159	0	0	109.6	E57 N78 V79 K80 V111 S112	E57-E59 PolarHBondContact O-N 3.41Å; E59-N78 PolarHBondContact OE1-ND2 3.23Å; E59-N78 PolarHBondContact OE1-OD1 3.37Å; E59-V79 WeakPolarHBondContact CA-O 3.29Å; E59-K80 HydrophobicContact CB-CD 4.48Å; E59-K80 HydrophobicContact CB-CG 4.01Å; E59-K80 HydrophobicContact CG-CD 4.47Å; E59-K80 HydrophobicContact CG-CG 3.99Å; E59-K80 WeakPolarHBondContact OE1-CE 3.47Å; E59-K80 IonicContact OE1-NZ 3.17Å; E59-K80 PolarHBondContact OE1-NZ 3.24Å; E59-K80 VanDerWaalsContact OE2-CE 3.31Å; E59-K80 WeakPolarHBondContact OE2-CE 3.42Å; E59-K80 IonicContact OE2-NZ 2.66Å; E59-K80 PolarHBondContact OE2-NZ 3.49Å; E59-V111 CarbonylContact O-C 3.49Å; E59-V111 VanDerWaalsContact O-CA 3.27Å; E59-V111 WeakPolarHBondContact O-CA 3.33Å; E59-S112 PolarHBondContact N-O 2.7Å; E59-S112 PolarHBondContact O-N 3.05Å
60	L	96.7	Very high	93.9	Very high	1 Å²	1	47 Å²	47	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.3	169.3	170	73.3	0	0	0	107.7	Y45 I47 N78 V79 W81 A109 S110 V111 T126	Y45-L60 HydrophobicContact CD1-CD1 4.02Å; Y45-L60 HydrophobicContact CD1-CD2 4.04Å; Y45-L60 HydrophobicContact CD2-CD2 4.13Å; Y45-L60 HydrophobicContact CG-CD1 4.49Å; Y45-L60 HydrophobicContact CG-CD2 3.72Å; I47-L60 HydrophobicContact CD1-CB 4.45Å; L60-N78 CarbonylContact O-C 3.58Å; L60-N78 VanDerWaalsContact O-CA 3.23Å; L60-N78 WeakPolarHBondContact O-CA 3.34Å; L60-V79 PolarHBondContact N-O 2.66Å; L60-V79 PolarHBondContact O-N 2.61Å; L60-W81 HydrophobicContact CB-CH2 3.89Å; L60-W81 HydrophobicContact CB-CZ3 3.58Å; L60-W81 HydrophobicContact CD2-CH2 3.95Å; L60-W81 HydrophobicContact CD2-CZ3 4.47Å; L60-A109 HydrophobicContact CD1-CB 3.76Å; L60-S110 WeakPolarHBondContact CA-O 3.36Å; L60-V111 HydrophobicContact CD1-CG2 3.71Å; L60-T126 HydrophobicContact CD1-CG2 4.28Å
61	S	96.2	Very high	93.9	Very high	17 Å²	17	44.3 Å²	44.3	12%	0.119	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.2	172.5	-162.4	0	0	0	0	110.9	L77 A109 S110	S61-L77 WeakPolarHBondContact CA-O 3.36Å; S61-A109 WeakPolarHBondContact O-CB 3.29Å; S61-S110 PolarHBondContact N-O 3.26Å; S61-S110 PolarHBondContact O-N 3.46Å; S61-S110 PolarHBondContact O-OG 2.79Å
62	D	95.2	Very high	94.1	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	28%	0.275	C	S	.	.			trans	-131.8	93.4	177.1	-163.2	-16.7	0	0	0	111.5	K28 Y45 S64 F65 L77 A109	K28-D62 WeakPolarHBondContact CE-OD2 3.41Å; K28-D62 IonicContact NZ-OD1 2.96Å; K28-D62 IonicContact NZ-OD2 3.25Å; K28-D62 PolarHBondContact NZ-OD2 2.89Å; Y45-D62 WeakPolarHBondContact CE1-OD2 3.29Å; Y45-D62 PolarHBondContact OH-OD2 2.96Å; D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 WeakPolarHBondContact OD1-CB 3.23Å; D62-S64 PolarHBondContact OD1-N 2.87Å; D62-S64 PolarHBondContact OD1-OG 3.11Å; D62-F65 WeakPolarHBondContact OD2-CE2 3.41Å; D62-L77 HydrophobicContact CB-CD2 4.26Å; D62-L77 PolarHBondContact N-O 3.33Å; D62-A109 HydrophobicContact CB-CB 3.72Å
63	D	93.1	Very high	94.3	Very high	140 Å²	140	46.9 Å²	46.9	75%	0.749	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	8.2	-178.2	-54.4	-50.7	0	0	0	112.8	F65	D63-F65 PolarHBondContact O-N 2.89Å
64	S	91.3	Very high	94.3	Very high	26 Å²	26	48.6 Å²	48.6	18%	0.182	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.9	-175.1	-43.7	0	0	0	0	113.1	D62 P66 F104 T107	D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 WeakPolarHBondContact OD1-CB 3.23Å; D62-S64 PolarHBondContact OD1-N 2.87Å; D62-S64 PolarHBondContact OD1-OG 3.11Å; S64-P66 WeakPolarHBondContact O-CD 3.28Å; S64-F104 VanDerWaalsContact O-CZ 3.27Å; S64-F104 WeakPolarHBondContact O-CZ 3.45Å; S64-T107 WeakPolarHBondContact OG-CG2 3.49Å
65	F	93.8	Very high	94.3	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.053	28%	0.282	C	S	.	.	S	Bend	trans	-110.1	90.3	-169.6	-60.6	-77.9	0	0	0	111.4	L43 D62 D63 F70 L77 L96 F104 F106	L43-F65 HydrophobicContact CD1-CD2 4.35Å; L43-F65 HydrophobicContact CD1-CE1 3.93Å; L43-F65 HydrophobicContact CD1-CE2 3.47Å; L43-F65 VanDerWaalsContact CD1-CE2 3.47Å; L43-F65 HydrophobicContact CD1-CZ 3.23Å; L43-F65 HydrophobicContact CD2-CZ 4.49Å; L43-F65 HydrophobicContact CG-CZ 4.47Å; D62-F65 WeakPolarHBondContact OD2-CE2 3.41Å; D63-F65 PolarHBondContact O-N 2.89Å; F65-F70 HydrophobicContact CB-CB 4.36Å; F65-F70 HydrophobicContact CB-CD2 4.29Å; F65-F70 HydrophobicContact CB-CG 4.35Å; F65-F70 HydrophobicContact CD1-CD1 4.09Å; F65-F70 AromaticContact CD1-CD2 3.99Å; F65-F70 HydrophobicContact CD1-CD2 3.99Å; F65-F70 HydrophobicContact CD1-CE1 4.11Å; F65-F70 HydrophobicContact CD1-CE2 4.04Å; F65-F70 HydrophobicContact CD1-CG 4.02Å; F65-F70 HydrophobicContact CD1-CZ 4.09Å; F65-F70 HydrophobicContact CE1-CE1 4.42Å; F65-F70 HydrophobicContact CE1-CZ 4.44Å; F65-L77 HydrophobicContact CB-CD1 3.93Å; F65-L77 HydrophobicContact CD2-CD1 4.4Å; F65-L77 HydrophobicContact CD2-CD2 3.89Å; F65-L77 HydrophobicContact CE2-CD2 4.48Å; F65-L96 HydrophobicContact CB-CD1 3.99Å; F65-L96 HydrophobicContact CD1-CD1 3.56Å; F65-L96 HydrophobicContact CD2-CD1 3.89Å; F65-L96 HydrophobicContact CE1-CD1 3.95Å; F65-L96 HydrophobicContact CE2-CD1 4.23Å; F65-L96 HydrophobicContact CG-CD1 3.52Å; F65-L96 HydrophobicContact CZ-CD1 4.27Å; F65-F104 AromaticContact CD1-CE1 3.84Å; F65-F104 HydrophobicContact CD1-CE1 3.84Å; F65-F104 AromaticContact CD1-CZ 3.85Å; F65-F104 HydrophobicContact CD1-CZ 3.85Å; F65-F104 HydrophobicContact CE1-CD1 4.39Å; F65-F104 AromaticContact CE1-CE1 3.45Å; F65-F104 HydrophobicContact CE1-CE1 3.45Å; F65-F104 VanDerWaalsContact CE1-CE1 3.45Å; F65-F104 AromaticContact CE1-CZ 3.95Å; F65-F104 HydrophobicContact CE1-CZ 3.95Å; F65-F104 HydrophobicContact CZ-CE1 4.28Å; F65-F106 AromaticContact CE1-CD1 3.84Å; F65-F106 HydrophobicContact CE1-CD1 3.84Å; F65-F106 AromaticContact CE1-CE1 3.92Å; F65-F106 HydrophobicContact CE1-CE1 3.92Å; F65-F106 AromaticContact CZ-CD1 3.91Å; F65-F106 HydrophobicContact CZ-CD1 3.91Å; F65-F106 HydrophobicContact CZ-CE1 4.39Å
66	P	93.2	Very high	94.3	Very high	35 Å²	35	54.2 Å²	54.2	23%	0.227	31%	0.308	C	S	.	.			trans	-69.8	141.5	180	27.2	-33.6	0	0	0	111.5	S64 E68 D69 F70	S64-P66 WeakPolarHBondContact O-CD 3.28Å; P66-E68 VanDerWaalsContact CB-CD 3.46Å; P66-E68 HydrophobicContact CB-CG 4.22Å; P66-E68 WeakPolarHBondContact CB-OE1 3.46Å; P66-E68 PolarHBondContact O-N 2.8Å; P66-D69 HydrophobicContact CG-CB 4.22Å; P66-D69 PolarHBondContact O-N 2.8Å; P66-D69 VanDerWaalsContact O-N 3.12Å; P66-F70 PolarHBondContact O-N 2.74Å
67	P	91.5	Very high	94.2	Very high	103 Å²	103	53.5 Å²	53.5	67%	0.669	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.4	-175.5	26.6	-34.6	0	0	0	113.9	D69 F70	P67-D69 VanDerWaalsContact C-N 3.29Å; P67-D69 PolarHBondContact O-N 2.81Å; P67-F70 WeakPolarHBondContact CA-O 3.49Å
68	E	92.5	Very high	94.2	Very high	121 Å²	121	50.2 Å²	50.2	57%	0.565	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.1	174.8	59.4	-92	-155.3	0	0	114	P66	P66-E68 VanDerWaalsContact CB-CD 3.46Å; P66-E68 HydrophobicContact CB-CG 4.22Å; P66-E68 WeakPolarHBondContact CB-OE1 3.46Å; P66-E68 PolarHBondContact O-N 2.8Å
69	D	93.2	Very high	94.2	Very high	44 Å²	44	50.9 Å²	50.9	24%	0.235	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-21	-179.4	-65.6	-24.1	0	0	0	112.2	P66 P67 L99 K100	P66-D69 HydrophobicContact CG-CB 4.22Å; P66-D69 PolarHBondContact O-N 2.8Å; P66-D69 VanDerWaalsContact O-N 3.12Å; P67-D69 VanDerWaalsContact C-N 3.29Å; P67-D69 PolarHBondContact O-N 2.81Å; D69-L99 WeakPolarHBondContact O-CB 3.4Å; D69-L99 PolarHBondContact O-N 2.85Å; D69-K100 WeakPolarHBondContact OD1-CD 3.36Å; D69-K100 WeakPolarHBondContact OD1-CE 3.05Å; D69-K100 IonicContact OD1-NZ 2.66Å; D69-K100 PolarHBondContact OD1-NZ 3.44Å
70	F	95.5	Very high	94.2	Very high	5 Å²	5	55 Å²	55	2%	0.022	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.7	-179.2	-65	-91.6	0	0	0	112.1	L41 F65 P66 P67 L96 R97 P98 F104 I134	L41-F70 HydrophobicContact CD2-CE1 4.26Å; F65-F70 HydrophobicContact CB-CB 4.36Å; F65-F70 HydrophobicContact CB-CD2 4.29Å; F65-F70 HydrophobicContact CB-CG 4.35Å; F65-F70 HydrophobicContact CD1-CD1 4.09Å; F65-F70 AromaticContact CD1-CD2 3.99Å; F65-F70 HydrophobicContact CD1-CD2 3.99Å; F65-F70 HydrophobicContact CD1-CE1 4.11Å; F65-F70 HydrophobicContact CD1-CE2 4.04Å; F65-F70 HydrophobicContact CD1-CG 4.02Å; F65-F70 HydrophobicContact CD1-CZ 4.09Å; F65-F70 HydrophobicContact CE1-CE1 4.42Å; F65-F70 HydrophobicContact CE1-CZ 4.44Å; P66-F70 PolarHBondContact O-N 2.74Å; P67-F70 WeakPolarHBondContact CA-O 3.49Å; F70-L96 HydrophobicContact CD1-CB 4.39Å; F70-L96 HydrophobicContact CD1-CD1 4.45Å; F70-R97 WeakPolarHBondContact CA-O 3.43Å; F70-P98 HydrophobicContact CD1-CB 4.15Å; F70-P98 HydrophobicContact CD1-CG 4.41Å; F70-P98 HydrophobicContact CE1-CB 3.91Å; F70-P98 HydrophobicContact CE1-CG 4.14Å; F70-F104 HydrophobicContact CD2-CE2 4.5Å; F70-F104 HydrophobicContact CE2-CD1 4.4Å; F70-F104 AromaticContact CE2-CD2 3.7Å; F70-F104 HydrophobicContact CE2-CD2 3.7Å; F70-F104 HydrophobicContact CE2-CE1 4.15Å; F70-F104 AromaticContact CE2-CE2 3.41Å; F70-F104 HydrophobicContact CE2-CE2 3.41Å; F70-F104 VanDerWaalsContact CE2-CE2 3.41Å; F70-F104 HydrophobicContact CE2-CG 4.18Å; F70-F104 AromaticContact CE2-CZ 3.64Å; F70-F104 HydrophobicContact CE2-CZ 3.64Å; F70-F104 AromaticContact CZ-CD1 3.85Å; F70-F104 HydrophobicContact CZ-CD1 3.85Å; F70-F104 AromaticContact CZ-CD2 3.78Å; F70-F104 HydrophobicContact CZ-CD2 3.78Å; F70-F104 AromaticContact CZ-CE1 3.92Å; F70-F104 HydrophobicContact CZ-CE1 3.92Å; F70-F104 AromaticContact CZ-CE2 3.85Å; F70-F104 HydrophobicContact CZ-CE2 3.85Å; F70-F104 AromaticContact CZ-CG 3.77Å; F70-F104 HydrophobicContact CZ-CG 3.77Å; F70-F104 AromaticContact CZ-CZ 3.9Å; F70-F104 HydrophobicContact CZ-CZ 3.9Å; F70-I134 HydrophobicContact CE1-CD1 4.03Å; F70-I134 HydrophobicContact CZ-CD1 3.8Å
71	G	94.6	Very high	94.2	Very high	25 Å²	25	57.3 Å²	57.3	26%	0.258	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.5	168	0	0	0	0	0	111.2	V73 L96 R97	G71-V73 PolarHBondContact O-N 2.94Å; G71-L96 CarbonylContact O-C 3.56Å; G71-L96 WeakPolarHBondContact O-CA 3.49Å; G71-R97 PolarHBondContact N-O 2.56Å; G71-R97 PolarHBondContact O-N 2.93Å
72	I	94.8	Very high	94.1	Very high	101 Å²	101	63.3 Å²	63.3	52%	0.518	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.6	171.9	-56.4	172	0	0	0	108.2	L77 L96	I72-L77 HydrophobicContact CD1-CD1 4.2Å; I72-L96 HydrophobicContact CB-CD2 4.26Å; I72-L96 HydrophobicContact CG1-CD2 3.78Å; I72-L96 HydrophobicContact CG2-CD2 4.42Å
73	V	94.1	Very high	94.1	Very high	67 Å²	67	71.6 Å²	71.6	41%	0.406	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-44.1	178	-179.2	0	0	0	0	110.3	G71 V95 R97	G71-V73 PolarHBondContact O-N 2.94Å; V73-V95 HydrophobicContact CB-CB 4.37Å; V73-V95 HydrophobicContact CB-CG1 4.1Å; V73-V95 WeakPolarHBondContact CB-O 3.26Å; V73-V95 HydrophobicContact CG1-CG1 4.47Å; V73-V95 PolarHBondContact N-O 3.46Å; V73-R97 HydrophobicContact CG2-CB 3.75Å
74	S	94	Very high	94.2	Very high	71 Å²	71	65 Å²	65	50%	0.497	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.5	-179.3	-177.6	0	0	0	0	111.6	V95	S74-V95 PolarHBondContact N-O 2.85Å; S74-V95 VanDerWaalsContact N-O 3.11Å; S74-V95 PolarHBondContact O-N 3.01Å
75	G	92.8	Very high	94.4	Very high	32 Å²	32	65.9 Å²	65.9	33%	0.33	36%	0.357	S	S	.	.	S	Bend	trans	84.1	-174.2	-177.4	0	0	0	0	0	112.8
76	M	94	Very high	94.4	Very high	112 Å²	112	68.2 Å²	68.2	55%	0.552	37%	0.373	S	S	*	.			trans	-135	137.5	-176.1	-58	179.8	-58.8	0	0	109.1	N78 V79 H92 V94	M76-N78 VanDerWaalsContact C-N 3.32Å; M76-N78 WeakPolarHBondContact CB-O 3.46Å; M76-V79 HydrophobicContact CB-CG2 3.91Å; M76-V79 HydrophobicContact CE-CG2 3.97Å; M76-H92 PolarHBondContact O-NE2 2.73Å; M76-V94 VanDerWaalsContact O-CG2 3.26Å; M76-V94 WeakPolarHBondContact O-CG2 3.5Å
77	L	94.3	Very high	94.4	Very high	25 Å²	25	71.3 Å²	71.3	13%	0.131	40%	0.402	C	S	.	.	S	Bend	trans	-78.5	-19.9	176.6	-69.2	170.1	0	0	0	112.7	S61 D62 F65 I72 V94 L96	S61-L77 WeakPolarHBondContact CA-O 3.36Å; D62-L77 HydrophobicContact CB-CD2 4.26Å; D62-L77 PolarHBondContact N-O 3.33Å; F65-L77 HydrophobicContact CB-CD1 3.93Å; F65-L77 HydrophobicContact CD2-CD1 4.4Å; F65-L77 HydrophobicContact CD2-CD2 3.89Å; F65-L77 HydrophobicContact CE2-CD2 4.48Å; I72-L77 HydrophobicContact CD1-CD1 4.2Å; L77-V94 HydrophobicContact CD2-CG1 3.97Å; L77-V94 HydrophobicContact CD2-CG2 4.49Å; L77-V94 HydrophobicContact CG-CG1 4.4Å; L77-L96 HydrophobicContact CD2-CD1 4.41Å; L77-L96 HydrophobicContact CD2-CD2 4.47Å
78	N	95.3	Very high	94.6	Very high	69 Å²	69	68.3 Å²	68.3	37%	0.369	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124	168	-173.4	-42.2	0	0	0	109.5	E59 L60 M76	E59-N78 PolarHBondContact OE1-ND2 3.23Å; E59-N78 PolarHBondContact OE1-OD1 3.37Å; L60-N78 CarbonylContact O-C 3.58Å; L60-N78 VanDerWaalsContact O-CA 3.23Å; L60-N78 WeakPolarHBondContact O-CA 3.34Å; M76-N78 VanDerWaalsContact C-N 3.32Å; M76-N78 WeakPolarHBondContact CB-O 3.46Å
79	V	95.8	Very high	94.7	Very high	15 Å²	15	66.6 Å²	66.6	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.4	177.9	-177.3	0	0	0	0	109.8	E59 L60 M76 W81 H92	E59-V79 WeakPolarHBondContact CA-O 3.29Å; L60-V79 PolarHBondContact N-O 2.66Å; L60-V79 PolarHBondContact O-N 2.61Å; M76-V79 HydrophobicContact CB-CG2 3.91Å; M76-V79 HydrophobicContact CE-CG2 3.97Å; V79-W81 HydrophobicContact CB-CH2 3.86Å; V79-W81 HydrophobicContact CB-CZ2 3.97Å; V79-W81 HydrophobicContact CB-CZ3 4.34Å; V79-W81 HydrophobicContact CG1-CD2 4.22Å; V79-W81 HydrophobicContact CG1-CH2 3.83Å; V79-W81 HydrophobicContact CG1-CZ2 3.44Å; V79-W81 VanDerWaalsContact CG1-CZ2 3.44Å; V79-W81 HydrophobicContact CG1-CZ3 4.35Å; V79-H92 VanDerWaalsContact CG2-NE2 3.31Å; V79-H92 WeakPolarHBondContact CG2-NE2 3.49Å
80	K	96.1	Very high	94.9	Very high	130 Å²	130	66.2 Å²	66.2	57%	0.565	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.8	174.1	-56.1	-169.1	-174.7	-136	0	111.3	V58 E59	V58-K80 CarbonylContact O-C 3.57Å; V58-K80 VanDerWaalsContact O-CA 3.29Å; V58-K80 WeakPolarHBondContact O-CA 3.34Å; E59-K80 HydrophobicContact CB-CD 4.48Å; E59-K80 HydrophobicContact CB-CG 4.01Å; E59-K80 HydrophobicContact CG-CD 4.47Å; E59-K80 HydrophobicContact CG-CG 3.99Å; E59-K80 WeakPolarHBondContact OE1-CE 3.47Å; E59-K80 IonicContact OE1-NZ 3.17Å; E59-K80 PolarHBondContact OE1-NZ 3.24Å; E59-K80 VanDerWaalsContact OE2-CE 3.31Å; E59-K80 WeakPolarHBondContact OE2-CE 3.42Å; E59-K80 IonicContact OE2-NZ 2.66Å; E59-K80 PolarHBondContact OE2-NZ 3.49Å
81	W	96.3	Very high	94.9	Very high	50 Å²	50	69 Å²	69	19%	0.189	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.9	170.9	-59.7	-83.2	0	0	0	109.1	I47 E57 V58 L60 V79 R83 V90 H92	I47-W81 HydrophobicContact CD1-CE3 4.4Å; I47-W81 HydrophobicContact CD1-CH2 4.14Å; I47-W81 HydrophobicContact CD1-CZ3 3.69Å; E57-W81 CarbonylContact C-O 3.59Å; V58-W81 HydrophobicContact CB-CB 4.44Å; V58-W81 HydrophobicContact CB-CE3 4.32Å; V58-W81 HydrophobicContact CG1-CE3 4.13Å; V58-W81 PolarHBondContact N-O 3.31Å; V58-W81 PolarHBondContact O-N 3.12Å; L60-W81 HydrophobicContact CB-CH2 3.89Å; L60-W81 HydrophobicContact CB-CZ3 3.58Å; L60-W81 HydrophobicContact CD2-CH2 3.95Å; L60-W81 HydrophobicContact CD2-CZ3 4.47Å; V79-W81 HydrophobicContact CB-CH2 3.86Å; V79-W81 HydrophobicContact CB-CZ2 3.97Å; V79-W81 HydrophobicContact CB-CZ3 4.34Å; V79-W81 HydrophobicContact CG1-CD2 4.22Å; V79-W81 HydrophobicContact CG1-CH2 3.83Å; V79-W81 HydrophobicContact CG1-CZ2 3.44Å; V79-W81 VanDerWaalsContact CG1-CZ2 3.44Å; V79-W81 HydrophobicContact CG1-CZ3 4.35Å; W81-R83 VanDerWaalsContact C-N 3.26Å; W81-R83 PolarHBondContact O-N 3.49Å; W81-V90 HydrophobicContact CD2-CG1 4.3Å; W81-V90 HydrophobicContact CZ2-CG1 3.96Å; W81-H92 HydrophobicContact CH2-CB 4.06Å; W81-H92 HydrophobicContact CZ2-CB 3.85Å
82	D	94.8	Very high	95	Very high	144 Å²	144	69.4 Å²	69.4	77%	0.77	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	-38.3	-178.1	-58.8	-28.7	0	0	0	111.9	L56 E57	L56-D82 WeakPolarHBondContact CA-O 3.48Å; E57-D82 PolarHBondContact N-O 2.96Å
83	R	94.7	Very high	95.1	Very high	177 Å²	177	67.4 Å²	67.4	67%	0.668	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.5	140	-176.5	-174.2	175.5	70.6	-175.1	1.1	113.3	A54 A55 L56 W81	A54-R83 HydrophobicContact CB-CG 3.78Å; A55-R83 CarbonylContact O-C 3.54Å; A55-R83 VanDerWaalsContact O-CA 3.26Å; A55-R83 WeakPolarHBondContact O-CA 3.44Å; L56-R83 HydrophobicContact CD2-CB 4.14Å; L56-R83 HydrophobicContact CD2-CG 3.82Å; W81-R83 VanDerWaalsContact C-N 3.26Å; W81-R83 PolarHBondContact O-N 3.49Å
84	I	96.1	Very high	95.2	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.9	167	-55.3	-178.2	0	0	0	108.9	I47 N49 A54 A55 V58 S88 V90	I47-I84 HydrophobicContact CG2-CD1 4Å; N49-I84 HydrophobicContact CB-CG2 3.85Å; N49-I84 PolarHBondContact ND2-O 3.48Å; A54-I84 CarbonylContact C-O 3.53Å; A54-I84 VanDerWaalsContact CA-O 3.27Å; A54-I84 WeakPolarHBondContact CA-O 3.44Å; A55-I84 PolarHBondContact N-O 3.43Å; A55-I84 PolarHBondContact O-N 3.12Å; V58-I84 HydrophobicContact CB-CD1 4.12Å; V58-I84 HydrophobicContact CB-CG1 4.49Å; V58-I84 HydrophobicContact CG1-CD1 4Å; V58-I84 HydrophobicContact CG2-CD1 3.86Å; V58-I84 HydrophobicContact CG2-CG1 3.94Å; I84-S88 WeakPolarHBondContact CG2-OG 3.33Å; I84-V90 HydrophobicContact CD1-CB 4.31Å; I84-V90 HydrophobicContact CD1-CG2 3.95Å; I84-V90 HydrophobicContact CG1-CG2 3.98Å; I84-V90 HydrophobicContact CG2-CG2 4.41Å
85	A	95.1	Very high	95.3	Very high	44 Å²	44	62.1 Å²	62.1	36%	0.364	35%	0.35	S	S	.	.			trans	-63	155	-178.3	0	0	0	0	0	112.1	N49 S88	N49-A85 WeakPolarHBondContact CB-O 3.39Å; N49-A85 PolarHBondContact ND2-O 3.36Å; A85-S88 PolarHBondContact N-OG 3.09Å; A85-S88 WeakPolarHBondContact O-CB 3.37Å; A85-S88 PolarHBondContact O-N 3.41Å; A85-S88 PolarHBondContact O-OG 2.91Å
86	P	94.7	Very high	95.5	Very high	60 Å²	60	60.6 Å²	60.6	39%	0.39	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	146.4	173.7	27.4	-35.3	0	0	0	110.8	G51 S88	G51-P86 WeakPolarHBondContact O-CB 3.16Å; P86-S88 PolarHBondContact O-N 3.43Å; P86-S88 VanDerWaalsContact O-N 3.12Å
87	A	92.4	Very high	95.6	Very high	101 Å²	101	60 Å²	60	84%	0.835	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	24.6	-176.8	0	0	0	0	0	114.8	N49	N49-A87 VanDerWaalsContact O-CA 3.28Å; N49-A87 WeakPolarHBondContact O-CA 2.97Å; N49-A87 PolarHBondContact O-N 3.08Å
88	S	95.6	Very high	95.7	Very high	39 Å²	39	58.8 Å²	58.8	27%	0.273	32%	0.319	S	S	.	.			trans	-118.8	165.1	176.4	78.8	0	0	0	0	111.8	N49 I84 A85 P86	N49-S88 PolarHBondContact N-O 3.38Å; I84-S88 WeakPolarHBondContact CG2-OG 3.33Å; A85-S88 PolarHBondContact N-OG 3.09Å; A85-S88 WeakPolarHBondContact O-CB 3.37Å; A85-S88 PolarHBondContact O-N 3.41Å; A85-S88 PolarHBondContact O-OG 2.91Å; P86-S88 PolarHBondContact O-N 3.43Å; P86-S88 VanDerWaalsContact O-N 3.12Å
89	N	95.5	Very high	95.7	Very high	85 Å²	85	59.4 Å²	59.4	46%	0.455	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	-179.7	73.2	-68.8	0	0	0	112.3	I47 Y48	I47-N89 CarbonylContact O-C 3.56Å; I47-N89 WeakPolarHBondContact O-CA 3.12Å; I47-N89 WeakPolarHBondContact O-CB 3.45Å; Y48-N89 HydrophobicContact CD1-CB 3.36Å; Y48-N89 HydrophobicContact CE1-CB 3.64Å; Y48-N89 HydrophobicContact CG-CB 4.13Å
90	V	96.6	Very high	95.6	Very high	36 Å²	36	64.2 Å²	64.2	22%	0.218	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.1	171.9	178.4	0	0	0	0	108.4	I47 W81 I84	I47-V90 PolarHBondContact N-O 3.46Å; I47-V90 PolarHBondContact O-N 2.73Å; W81-V90 HydrophobicContact CD2-CG1 4.3Å; W81-V90 HydrophobicContact CZ2-CG1 3.96Å; I84-V90 HydrophobicContact CD1-CB 4.31Å; I84-V90 HydrophobicContact CD1-CG2 3.95Å; I84-V90 HydrophobicContact CG1-CG2 3.98Å; I84-V90 HydrophobicContact CG2-CG2 4.41Å
91	S	95.5	Very high	95.5	Very high	65 Å²	65	60.1 Å²	60.1	46%	0.455	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.8	176.8	-63.2	0	0	0	0	109.1	Y45 N46	Y45-S91 CarbonylContact O-C 3.51Å; Y45-S91 WeakPolarHBondContact O-CA 3.39Å; N46-S91 VanDerWaalsContact OD1-CB 3.28Å; N46-S91 WeakPolarHBondContact OD1-CB 3.45Å; N46-S91 PolarHBondContact OD1-OG 2.72Å
92	H	96.7	Very high	95.4	Very high	32 Å²	32	59.4 Å²	59.4	15%	0.148	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.4	176.8	-176	50.7	0	0	0	109.9	Y45 M76 V79 W81 V94	Y45-H92 PolarHBondContact N-O 3.42Å; Y45-H92 PolarHBondContact O-N 3.04Å; M76-H92 PolarHBondContact O-NE2 2.73Å; V79-H92 VanDerWaalsContact CG2-NE2 3.31Å; V79-H92 WeakPolarHBondContact CG2-NE2 3.49Å; W81-H92 HydrophobicContact CH2-CB 4.06Å; W81-H92 HydrophobicContact CZ2-CB 3.85Å; H92-V94 VanDerWaalsContact NE2-CG2 3.33Å; H92-V94 WeakPolarHBondContact NE2-CG2 3.31Å
93	T	96.5	Very high	95.3	Very high	59 Å²	59	61.8 Å²	61.8	36%	0.362	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.9	-177.3	-60	0	0	0	0	109.5	T42 L43	T42-T93 HydrophobicContact CG2-CG2 3.51Å; L43-T93 WeakPolarHBondContact O-CA 3.47Å
94	V	96.5	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.7	178.4	-174.4	0	0	0	0	108.4	L43 Y45 M76 L77 H92 L96	L43-V94 PolarHBondContact N-O 2.91Å; L43-V94 PolarHBondContact O-N 2.83Å; Y45-V94 HydrophobicContact CD2-CG2 4.4Å; Y45-V94 HydrophobicContact CE2-CB 4.36Å; Y45-V94 HydrophobicContact CE2-CG2 3.93Å; M76-V94 VanDerWaalsContact O-CG2 3.26Å; M76-V94 WeakPolarHBondContact O-CG2 3.5Å; L77-V94 HydrophobicContact CD2-CG1 3.97Å; L77-V94 HydrophobicContact CD2-CG2 4.49Å; L77-V94 HydrophobicContact CG-CG1 4.4Å; H92-V94 VanDerWaalsContact NE2-CG2 3.33Å; H92-V94 WeakPolarHBondContact NE2-CG2 3.31Å; V94-L96 HydrophobicContact CG1-CD2 3.74Å; V94-L96 HydrophobicContact CG1-CG 4.05Å
95	V	97	Very high	95.1	Very high	28 Å²	28	59.6 Å²	59.6	17%	0.17	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.1	174.7	-173.7	0	0	0	0	107.8	D40 L41 T42 V73 S74	D40-V95 HydrophobicContact CB-CG1 3.78Å; L41-V95 WeakPolarHBondContact O-CA 3.36Å; T42-V95 HydrophobicContact CG2-CG2 4.39Å; V73-V95 HydrophobicContact CB-CB 4.37Å; V73-V95 HydrophobicContact CB-CG1 4.1Å; V73-V95 WeakPolarHBondContact CB-O 3.26Å; V73-V95 HydrophobicContact CG1-CG1 4.47Å; V73-V95 PolarHBondContact N-O 3.46Å; S74-V95 PolarHBondContact N-O 2.85Å; S74-V95 VanDerWaalsContact N-O 3.11Å; S74-V95 PolarHBondContact O-N 3.01Å
96	L	96	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	162.8	176	-58	178.9	0	0	0	109.5	D40 L41 L43 F65 F70 G71 I72 L77 V94	D40-L96 CarbonylContact C-O 3.6Å; L41-L96 WeakPolarHBondContact CA-O 3.35Å; L41-L96 PolarHBondContact N-O 2.9Å; L41-L96 PolarHBondContact O-N 2.97Å; L43-L96 HydrophobicContact CD1-CD1 3.68Å; L43-L96 HydrophobicContact CD1-CG 4.46Å; F65-L96 HydrophobicContact CB-CD1 3.99Å; F65-L96 HydrophobicContact CD1-CD1 3.56Å; F65-L96 HydrophobicContact CD2-CD1 3.89Å; F65-L96 HydrophobicContact CE1-CD1 3.95Å; F65-L96 HydrophobicContact CE2-CD1 4.23Å; F65-L96 HydrophobicContact CG-CD1 3.52Å; F65-L96 HydrophobicContact CZ-CD1 4.27Å; F70-L96 HydrophobicContact CD1-CB 4.39Å; F70-L96 HydrophobicContact CD1-CD1 4.45Å; G71-L96 CarbonylContact O-C 3.56Å; G71-L96 WeakPolarHBondContact O-CA 3.49Å; I72-L96 HydrophobicContact CB-CD2 4.26Å; I72-L96 HydrophobicContact CG1-CD2 3.78Å; I72-L96 HydrophobicContact CG2-CD2 4.42Å; L77-L96 HydrophobicContact CD2-CD1 4.41Å; L77-L96 HydrophobicContact CD2-CD2 4.47Å; V94-L96 HydrophobicContact CG1-CD2 3.74Å; V94-L96 HydrophobicContact CG1-CG 4.05Å
97	R	96.5	Very high	94.9	Very high	98 Å²	98	58 Å²	58	37%	0.37	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.1	172	-175.6	171.3	-64.4	160.4	1.9	108.8	G38 D40 F70 G71 V73 L99	G38-R97 WeakPolarHBondContact O-CD 3.4Å; D40-R97 IonicContact OD1-CZ 3.73Å; D40-R97 VanDerWaalsContact OD1-CZ 3.31Å; D40-R97 IonicContact OD1-NE 3.8Å; D40-R97 PolarHBondContact OD1-NE 2.99Å; D40-R97 IonicContact OD1-NH2 3.31Å; D40-R97 PolarHBondContact OD1-NH2 2.85Å; D40-R97 IonicContact OD2-NH2 2.66Å; F70-R97 WeakPolarHBondContact CA-O 3.43Å; G71-R97 PolarHBondContact N-O 2.56Å; G71-R97 PolarHBondContact O-N 2.93Å; V73-R97 HydrophobicContact CG2-CB 3.75Å; R97-L99 PolarHBondContact O-N 3Å
98	P	96.2	Very high	95	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135	176.6	-7.4	22	0	0	0	110	G38 R39 L41 F70 I134	G38-P98 PolarHBondContact N-O 3.01Å; R39-P98 WeakPolarHBondContact O-CD 3.4Å; L41-P98 HydrophobicContact CB-CG 4.25Å; L41-P98 HydrophobicContact CD2-CG 4.36Å; F70-P98 HydrophobicContact CD1-CB 4.15Å; F70-P98 HydrophobicContact CD1-CG 4.41Å; F70-P98 HydrophobicContact CE1-CB 3.91Å; F70-P98 HydrophobicContact CE1-CG 4.14Å; P98-I134 HydrophobicContact CB-CD1 3.99Å; P98-I134 HydrophobicContact CB-CG2 3.82Å; P98-I134 HydrophobicContact CG-CD1 4.42Å; P98-I134 HydrophobicContact CG-CG2 4.09Å
99	L	95.2	Very high	95	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.435	28%	0.284	S	S	.	.			trans	-97.8	-17.7	-178.5	-57.3	179.5	0	0	0	112.6	D69 R97	D69-L99 WeakPolarHBondContact O-CB 3.4Å; D69-L99 PolarHBondContact O-N 2.85Å; R97-L99 PolarHBondContact O-N 3Å
100	K	93.8	Very high	95	Very high	116 Å²	116	50.8 Å²	50.8	50%	0.504	27%	0.274	S	S	.	.	S	Bend	trans	-130.8	141.8	179.9	-62.3	177.9	-168.5	151.4	0	110.7	D69	D69-K100 WeakPolarHBondContact OD1-CD 3.36Å; D69-K100 WeakPolarHBondContact OD1-CE 3.05Å; D69-K100 IonicContact OD1-NZ 2.66Å; D69-K100 PolarHBondContact OD1-NZ 3.44Å
101	A	94.4	Very high	95	Very high	44 Å²	44	49.2 Å²	49.2	36%	0.364	27%	0.265	S	S	.	.			trans	-77	149.7	168	0	0	0	0	0	111.3	E37 A136	E37-A101 HydrophobicContact CB-CB 4.38Å; A101-A136 HydrophobicContact CB-CB 3.76Å
102	G	93.5	Very high	95	Very high	35 Å²	35	47.4 Å²	47.4	36%	0.361	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150	-179.3	179.1	0	0	0	0	0	113.2	I134	G102-I134 PolarHBondContact N-O 2.77Å; G102-I134 WeakPolarHBondContact O-CB 3.46Å; G102-I134 PolarHBondContact O-N 2.99Å
103	Y	93.2	Very high	95	Very high	194 Å²	194	46.7 Å²	46.7	76%	0.761	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.5	171.4	-69.4	-80	0	0	0	110	Q131	Y103-Q131 HydrophobicContact CD1-CG 4.39Å
104	F	93.8	Very high	94.9	Very high	35 Å²	35	45 Å²	45	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.7	178.5	-175.7	-96.4	0	0	0	110.4	S64 F65 F70 F106 Q131 G132 I134	S64-F104 VanDerWaalsContact O-CZ 3.27Å; S64-F104 WeakPolarHBondContact O-CZ 3.45Å; F65-F104 AromaticContact CD1-CE1 3.84Å; F65-F104 HydrophobicContact CD1-CE1 3.84Å; F65-F104 AromaticContact CD1-CZ 3.85Å; F65-F104 HydrophobicContact CD1-CZ 3.85Å; F65-F104 HydrophobicContact CE1-CD1 4.39Å; F65-F104 AromaticContact CE1-CE1 3.45Å; F65-F104 HydrophobicContact CE1-CE1 3.45Å; F65-F104 VanDerWaalsContact CE1-CE1 3.45Å; F65-F104 AromaticContact CE1-CZ 3.95Å; F65-F104 HydrophobicContact CE1-CZ 3.95Å; F65-F104 HydrophobicContact CZ-CE1 4.28Å; F70-F104 HydrophobicContact CD2-CE2 4.5Å; F70-F104 HydrophobicContact CE2-CD1 4.4Å; F70-F104 AromaticContact CE2-CD2 3.7Å; F70-F104 HydrophobicContact CE2-CD2 3.7Å; F70-F104 HydrophobicContact CE2-CE1 4.15Å; F70-F104 AromaticContact CE2-CE2 3.41Å; F70-F104 HydrophobicContact CE2-CE2 3.41Å; F70-F104 VanDerWaalsContact CE2-CE2 3.41Å; F70-F104 HydrophobicContact CE2-CG 4.18Å; F70-F104 AromaticContact CE2-CZ 3.64Å; F70-F104 HydrophobicContact CE2-CZ 3.64Å; F70-F104 AromaticContact CZ-CD1 3.85Å; F70-F104 HydrophobicContact CZ-CD1 3.85Å; F70-F104 AromaticContact CZ-CD2 3.78Å; F70-F104 HydrophobicContact CZ-CD2 3.78Å; F70-F104 AromaticContact CZ-CE1 3.92Å; F70-F104 HydrophobicContact CZ-CE1 3.92Å; F70-F104 AromaticContact CZ-CE2 3.85Å; F70-F104 HydrophobicContact CZ-CE2 3.85Å; F70-F104 AromaticContact CZ-CG 3.77Å; F70-F104 HydrophobicContact CZ-CG 3.77Å; F70-F104 AromaticContact CZ-CZ 3.9Å; F70-F104 HydrophobicContact CZ-CZ 3.9Å; F104-F106 AromaticContact CD1-CD1 3.78Å; F104-F106 HydrophobicContact CD1-CD1 3.78Å; F104-F106 HydrophobicContact CD1-CD2 4.29Å; F104-F106 AromaticContact CD1-CE1 3.63Å; F104-F106 HydrophobicContact CD1-CE1 3.63Å; F104-F106 HydrophobicContact CD1-CE2 4.16Å; F104-F106 HydrophobicContact CD1-CG 4.11Å; F104-F106 AromaticContact CD1-CZ 3.84Å; F104-F106 HydrophobicContact CD1-CZ 3.84Å; F104-F106 AromaticContact CE1-CD1 3.88Å; F104-F106 HydrophobicContact CE1-CD1 3.88Å; F104-F106 AromaticContact CE1-CE1 4Å; F104-F106 HydrophobicContact CE1-CE1 4Å; F104-F106 HydrophobicContact CE1-CG 4.42Å; F104-Q131 WeakPolarHBondContact O-CA 3.49Å; F104-G132 PolarHBondContact N-O 2.87Å; F104-G132 PolarHBondContact O-N 3.34Å; F104-G132 VanDerWaalsContact O-O 3.11Å; F104-I134 HydrophobicContact CB-CD1 3.75Å; F104-I134 HydrophobicContact CB-CG1 4.29Å; F104-I134 HydrophobicContact CG-CD1 4.36Å
105	N	92.6	Very high	94.6	Very high	98 Å²	98	46.1 Å²	46.1	52%	0.524	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	105.9	179.2	-75.8	-27.3	0	0	0	109.9	T107 Q131	N105-T107 PolarHBondContact O-N 2.78Å; N105-Q131 WeakPolarHBondContact OD1-CA 3.43Å; N105-Q131 WeakPolarHBondContact OD1-CB 3.36Å; N105-Q131 WeakPolarHBondContact OD1-CG 3.38Å
106	F	92.5	Very high	94.1	Very high	4 Å²	4	50 Å²	50	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	81.7	170.9	-58.9	-78.9	0	0	0	109	L30 L41 L43 F65 F104 P129 G130	L30-F106 HydrophobicContact CD2-CE2 4.33Å; L30-F106 HydrophobicContact CD2-CZ 4.4Å; L41-F106 HydrophobicContact CD2-CE1 3.71Å; L41-F106 HydrophobicContact CD2-CZ 4.03Å; L43-F106 HydrophobicContact CD2-CD1 4.48Å; F65-F106 AromaticContact CE1-CD1 3.84Å; F65-F106 HydrophobicContact CE1-CD1 3.84Å; F65-F106 AromaticContact CE1-CE1 3.92Å; F65-F106 HydrophobicContact CE1-CE1 3.92Å; F65-F106 AromaticContact CZ-CD1 3.91Å; F65-F106 HydrophobicContact CZ-CD1 3.91Å; F65-F106 HydrophobicContact CZ-CE1 4.39Å; F104-F106 AromaticContact CD1-CD1 3.78Å; F104-F106 HydrophobicContact CD1-CD1 3.78Å; F104-F106 HydrophobicContact CD1-CD2 4.29Å; F104-F106 AromaticContact CD1-CE1 3.63Å; F104-F106 HydrophobicContact CD1-CE1 3.63Å; F104-F106 HydrophobicContact CD1-CE2 4.16Å; F104-F106 HydrophobicContact CD1-CG 4.11Å; F104-F106 AromaticContact CD1-CZ 3.84Å; F104-F106 HydrophobicContact CD1-CZ 3.84Å; F104-F106 AromaticContact CE1-CD1 3.88Å; F104-F106 HydrophobicContact CE1-CD1 3.88Å; F104-F106 AromaticContact CE1-CE1 4Å; F104-F106 HydrophobicContact CE1-CE1 4Å; F104-F106 HydrophobicContact CE1-CG 4.42Å; F106-P129 HydrophobicContact CB-CB 4.03Å; F106-P129 HydrophobicContact CB-CG 4.24Å; F106-P129 WeakPolarHBondContact O-CD 3.36Å; F106-G130 WeakPolarHBondContact CB-O 3.27Å; F106-G130 PolarHBondContact N-O 3.49Å; F106-G130 PolarHBondContact O-N 3.15Å
107	T	93.4	Very high	93.5	Very high	67 Å²	67	58.5 Å²	58.5	41%	0.411	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-75.9	172.1	177.1	-167.5	0	0	0	0	111.6	K28 S64 N105	K28-T107 PolarHBondContact NZ-O 2.94Å; S64-T107 WeakPolarHBondContact OG-CG2 3.49Å; N105-T107 PolarHBondContact O-N 2.78Å
108	S	93.9	Very high	92.8	Very high	35 Å²	35	57.6 Å²	57.6	25%	0.245	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-70.2	144.8	178	54.5	0	0	0	0	112.1	T126	S108-T126 WeakPolarHBondContact CA-OG1 3.15Å; S108-T126 WeakPolarHBondContact CB-O 3.49Å
109	A	95.4	Very high	92.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-83.8	157	165.8	0	0	0	0	0	110.5	Y45 L60 S61 D62 Y125 T126	Y45-A109 HydrophobicContact CD1-CB 4.26Å; Y45-A109 HydrophobicContact CE1-CB 3.78Å; L60-A109 HydrophobicContact CD1-CB 3.76Å; S61-A109 WeakPolarHBondContact O-CB 3.29Å; D62-A109 HydrophobicContact CB-CB 3.72Å; A109-Y125 WeakPolarHBondContact O-CA 3.34Å; A109-T126 HydrophobicContact CB-CG2 3.88Å; A109-T126 PolarHBondContact N-OG1 3.47Å; A109-T126 PolarHBondContact O-N 2.85Å
110	S	96	Very high	91.8	Very high	36 Å²	36	63.8 Å²	63.8	25%	0.252	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.8	172.7	59.5	0	0	0	0	110.3	L60 S61	L60-S110 WeakPolarHBondContact CA-O 3.36Å; S61-S110 PolarHBondContact N-O 3.26Å; S61-S110 PolarHBondContact O-N 3.46Å; S61-S110 PolarHBondContact O-OG 2.79Å
111	V	96.8	Very high	91.7	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.1	173.8	180	0	0	0	0	108	L24 A26 I47 V58 E59 L60 G124 T126	L24-V111 HydrophobicContact CD1-CG1 4.24Å; A26-V111 HydrophobicContact CB-CG2 3.88Å; I47-V111 HydrophobicContact CD1-CG1 4.23Å; I47-V111 HydrophobicContact CD1-CG2 4.26Å; V58-V111 HydrophobicContact CG1-CG1 3.95Å; E59-V111 CarbonylContact O-C 3.49Å; E59-V111 VanDerWaalsContact O-CA 3.27Å; E59-V111 WeakPolarHBondContact O-CA 3.33Å; L60-V111 HydrophobicContact CD1-CG2 3.71Å; V111-G124 PolarHBondContact N-O 2.89Å; V111-G124 PolarHBondContact O-N 2.92Å; V111-T126 HydrophobicContact CG2-CG2 4.05Å
112	S	96.1	Very high	91.6	Very high	27 Å²	27	63.4 Å²	63.4	19%	0.189	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.7	174.9	49.2	0	0	0	0	110.9	V58 E59 V122	V58-S112 CarbonylContact C-O 3.56Å; V58-S112 WeakPolarHBondContact CA-O 3.31Å; E59-S112 PolarHBondContact N-O 2.7Å; E59-S112 PolarHBondContact O-N 3.05Å; S112-V122 CarbonylContact C-O 3.58Å; S112-V122 VanDerWaalsContact CA-O 3.29Å; S112-V122 WeakPolarHBondContact CA-O 3.36Å
113	Y	95.8	Very high	91.7	Very high	18 Å²	18	65.7 Å²	65.7	7%	0.071	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	163.2	178.3	68.8	-82.5	0	0	0	112.2	A22 L24 A55 A115 V122	A22-Y113 HydrophobicContact CB-CE2 4.37Å; A22-Y113 WeakPolarHBondContact O-CE2 3.36Å; A22-Y113 PolarHBondContact O-OH 3.21Å; L24-Y113 HydrophobicContact CB-CD1 4.23Å; L24-Y113 HydrophobicContact CB-CE1 3.87Å; L24-Y113 HydrophobicContact CD1-CD1 3.54Å; L24-Y113 HydrophobicContact CD1-CD2 4.08Å; L24-Y113 HydrophobicContact CD1-CE1 4.05Å; L24-Y113 HydrophobicContact CD1-CG 3.55Å; L24-Y113 HydrophobicContact CG-CD1 3.93Å; L24-Y113 HydrophobicContact CG-CD2 4.13Å; L24-Y113 HydrophobicContact CG-CE1 3.91Å; L24-Y113 HydrophobicContact CG-CE2 4.14Å; L24-Y113 HydrophobicContact CG-CG 4.03Å; L24-Y113 PolarHBondContact N-OH 2.95Å; A55-Y113 HydrophobicContact CB-CD2 3.93Å; A55-Y113 HydrophobicContact CB-CG 4.47Å; Y113-A115 HydrophobicContact CE2-CB 4.17Å; Y113-V122 HydrophobicContact CD1-CB 4.28Å; Y113-V122 HydrophobicContact CE1-CB 3.88Å; Y113-V122 HydrophobicContact CE1-CG1 3.77Å; Y113-V122 HydrophobicContact CE2-CB 4.23Å; Y113-V122 PolarHBondContact N-O 3.48Å; Y113-V122 PolarHBondContact O-N 2.95Å
114	L	94.3	Very high	91.7	Very high	23 Å²	23	57.6 Å²	57.6	12%	0.12	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.2	170.4	-64.4	172.2	0	0	0	109.8	L56 E57 Q116 G119 V121	L56-L114 HydrophobicContact CB-CB 4.16Å; L56-L114 PolarHBondContact N-O 3.29Å; L56-L114 PolarHBondContact O-N 3.47Å; E57-L114 HydrophobicContact CB-CD1 4.24Å; E57-L114 HydrophobicContact CG-CD1 4.23Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-G119 WeakPolarHBondContact CD2-O 3.05Å; L114-V121 HydrophobicContact CD2-CB 4.4Å; L114-V121 HydrophobicContact CD2-CG2 3.67Å
115	A	89.6	Confident	91.8	Very high	23 Å²	23	63.6 Å²	63.6	19%	0.19	37%	0.368	C	S	.	.	S	Bend	trans	-74.6	-25.6	-179.2	0	0	0	0	0	113.4	A22 S53 Y113 V122	A22-A115 PolarHBondContact N-O 2.83Å; S53-A115 PolarHBondContact OG-O 3.25Å; Y113-A115 HydrophobicContact CE2-CB 4.17Å; A115-V122 HydrophobicContact CB-CG2 4.41Å
116	Q	86.7	Confident	91.9	Very high	110 Å²	110	59.4 Å²	59.4	51%	0.514	35%	0.346	S	S	.	.	S	Bend	trans	-148.7	157.5	178.1	-61.6	-177	2.7	0	0	108.6	E20 L114 G118 G119	E20-Q116 PolarHBondContact O-NE2 3.15Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; Q116-G118 PolarHBondContact O-N 2.78Å; Q116-G119 PolarHBondContact O-N 3.42Å
117	E	83.9	Confident	92	Very high	178 Å²	178	61.9 Å²	61.9	83%	0.832	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	123.9	-179.4	-165.2	170.3	-173.4	0	0	110.9	L56 G119	L56-E117 HydrophobicContact CD1-CB 3.88Å; L56-E117 HydrophobicContact CD1-CG 4.26Å; E117-G119 PolarHBondContact O-N 3.38Å
118	G	81.4	Confident	91.9	Very high	80 Å²	80	61.5 Å²	61.5	83%	0.825	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	10.6	-174.3	0	0	0	0	0	115.2	Q116	Q116-G118 PolarHBondContact O-N 2.78Å
119	G	82.4	Confident	91.6	Very high	37 Å²	37	62.6 Å²	62.6	38%	0.381	37%	0.374	S	S	.	.			trans	-75.1	-176.4	176.7	0	0	0	0	0	114.1	L114 Q116 E117	L114-G119 WeakPolarHBondContact CD2-O 3.05Å; Q116-G119 PolarHBondContact O-N 3.42Å; E117-G119 PolarHBondContact O-N 3.38Å
120	Q	87.4	Confident	91.4	Very high	175 Å²	175	64 Å²	64	82%	0.818	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-76.3	146.3	171.8	-67.4	-178.1	-7.1	0	0	111	V122	Q120-V122 PolarHBondContact O-N 2.88Å
121	V	92.4	Very high	91.2	Very high	96 Å²	96	68.6 Å²	68.6	58%	0.582	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	120	172.8	-179.7	0	0	0	0	109.1	L114 V123	L114-V121 HydrophobicContact CD2-CB 4.4Å; L114-V121 HydrophobicContact CD2-CG2 3.67Å; V121-V123 HydrophobicContact CG1-CG2 4.44Å
122	V	93.2	Very high	90.8	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.345	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.7	173.6	-177.8	0	0	0	0	108.1	S112 Y113 A115 Q120	S112-V122 CarbonylContact C-O 3.58Å; S112-V122 VanDerWaalsContact CA-O 3.29Å; S112-V122 WeakPolarHBondContact CA-O 3.36Å; Y113-V122 HydrophobicContact CD1-CB 4.28Å; Y113-V122 HydrophobicContact CE1-CB 3.88Å; Y113-V122 HydrophobicContact CE1-CG1 3.77Å; Y113-V122 HydrophobicContact CE2-CB 4.23Å; Y113-V122 PolarHBondContact N-O 3.48Å; Y113-V122 PolarHBondContact O-N 2.95Å; A115-V122 HydrophobicContact CB-CG2 4.41Å; Q120-V122 PolarHBondContact O-N 2.88Å
123	V	94.7	Very high	90.6	Very high	82 Å²	82	70 Å²	70	50%	0.497	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.8	175.7	-176.1	0	0	0	0	108.9	V121	V121-V123 HydrophobicContact CG1-CG2 4.44Å
124	G	94.1	Very high	90.6	Very high	25 Å²	25	69.6 Å²	69.6	26%	0.258	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	171.3	170.5	0	0	0	0	0	111.6	V111	V111-G124 PolarHBondContact N-O 2.89Å; V111-G124 PolarHBondContact O-N 2.92Å
125	Y	95.5	Very high	90.5	Very high	161 Å²	161	70.2 Å²	70.2	63%	0.631	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	176.2	-62.7	-82	0	0	0	110	A109	A109-Y125 WeakPolarHBondContact O-CA 3.34Å
126	T	95.1	Very high	90.8	Very high	10 Å²	10	70.2 Å²	70.2	6%	0.061	43%	0.426	C	S	.	.			trans	-73.3	169	171.9	70	0	0	0	0	110.9	A26 K28 Y45 L60 S108 A109 V111	A26-T126 HydrophobicContact CB-CG2 3.8Å; A26-T126 WeakPolarHBondContact O-CA 3.38Å; K28-T126 WeakPolarHBondContact CB-OG1 3.13Å; Y45-T126 HydrophobicContact CD1-CG2 4.37Å; L60-T126 HydrophobicContact CD1-CG2 4.28Å; S108-T126 WeakPolarHBondContact CA-OG1 3.15Å; S108-T126 WeakPolarHBondContact CB-O 3.49Å; A109-T126 HydrophobicContact CB-CG2 3.88Å; A109-T126 PolarHBondContact N-OG1 3.47Å; A109-T126 PolarHBondContact O-N 2.85Å; V111-T126 HydrophobicContact CG2-CG2 4.05Å
127	S	94.2	Very high	91	Very high	55 Å²	55	67.9 Å²	67.9	39%	0.385	42%	0.416	S	S	.	.			trans	-55.3	152.5	161	57.7	0	0	0	0	111.4	A26 S27 K28	A26-S127 PolarHBondContact O-N 3.17Å; S27-S127 WeakPolarHBondContact CA-OG 3.38Å; K28-S127 WeakPolarHBondContact CB-O 3.27Å; K28-S127 PolarHBondContact N-OG 3.41Å; K28-S127 PolarHBondContact O-OG 2.86Å
128	A	90.7	Very high	91.3	Very high	59 Å²	59	68.8 Å²	68.8	49%	0.488	41%	0.412	S	S	.	.			trans	-110.3	112.5	173.4	0	0	0	0	0	108.8	G130	A128-G130 PolarHBondContact O-N 2.96Å; A128-G130 VanDerWaalsContact O-N 3.15Å
129	P	88.3	Confident	91.8	Very high	59 Å²	59	68.3 Å²	68.3	38%	0.383	39%	0.388	S	S	.	.			trans	-57.5	-23.2	174.7	-26.2	33.9	0	0	0	113.9	K28 F106	K28-P129 HydrophobicContact CG-CG 4.25Å; F106-P129 HydrophobicContact CB-CB 4.03Å; F106-P129 HydrophobicContact CB-CG 4.24Å; F106-P129 WeakPolarHBondContact O-CD 3.36Å
130	G	90.6	Very high	92.2	Very high	30 Å²	30	67.8 Å²	67.8	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.9	-161.8	175.4	0	0	0	0	0	113.2	F106 A128 G132	F106-G130 WeakPolarHBondContact CB-O 3.27Å; F106-G130 PolarHBondContact N-O 3.49Å; F106-G130 PolarHBondContact O-N 3.15Å; A128-G130 PolarHBondContact O-N 2.96Å; A128-G130 VanDerWaalsContact O-N 3.15Å; G130-G132 PolarHBondContact O-N 3.42Å
131	Q	91.4	Very high	92.2	Very high	133 Å²	133	62.2 Å²	62.2	62%	0.621	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.1	179.8	-168.2	169.9	20.9	0	0	110.7	Y103 F104 N105	Y103-Q131 HydrophobicContact CD1-CG 4.39Å; F104-Q131 WeakPolarHBondContact O-CA 3.49Å; N105-Q131 WeakPolarHBondContact OD1-CA 3.43Å; N105-Q131 WeakPolarHBondContact OD1-CB 3.36Å; N105-Q131 WeakPolarHBondContact OD1-CG 3.38Å
132	G	88.7	Confident	92	Very high	20 Å²	20	65.3 Å²	65.3	21%	0.206	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.5	173.7	0	0	0	0	0	111.5	F104 G130	F104-G132 PolarHBondContact N-O 2.87Å; F104-G132 PolarHBondContact O-N 3.34Å; F104-G132 VanDerWaalsContact O-O 3.11Å; G130-G132 PolarHBondContact O-N 3.42Å
133	G	92.5	Very high	91.7	Very high	38 Å²	38	70.2 Å²	70.2	39%	0.392	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.1	173.1	0	0	0	0	0	111
134	I	94.6	Very high	91.2	Very high	11 Å²	11	70.2 Å²	70.2	6%	0.056	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.2	169.1	-54.2	175.4	0	0	0	107	A35 F70 P98 G102 F104	A35-I134 HydrophobicContact CB-CB 4.43Å; A35-I134 HydrophobicContact CB-CG1 4.04Å; F70-I134 HydrophobicContact CE1-CD1 4.03Å; F70-I134 HydrophobicContact CZ-CD1 3.8Å; P98-I134 HydrophobicContact CB-CD1 3.99Å; P98-I134 HydrophobicContact CB-CG2 3.82Å; P98-I134 HydrophobicContact CG-CD1 4.42Å; P98-I134 HydrophobicContact CG-CG2 4.09Å; G102-I134 PolarHBondContact N-O 2.77Å; G102-I134 WeakPolarHBondContact O-CB 3.46Å; G102-I134 PolarHBondContact O-N 2.99Å; F104-I134 HydrophobicContact CB-CD1 3.75Å; F104-I134 HydrophobicContact CB-CG1 4.29Å; F104-I134 HydrophobicContact CG-CD1 4.36Å
135	L	93.9	Very high	90.7	Very high	36 Å²	36	71.4 Å²	71.4	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.1	-178.7	-64.6	173.6	0	0	0	110.3	Y34 A35 V36 E37 F140 F144	Y34-L135 HydrophobicContact CD1-CD1 4.37Å; A35-L135 PolarHBondContact O-N 2.79Å; V36-L135 WeakPolarHBondContact CA-O 3.29Å; E37-L135 PolarHBondContact N-O 2.84Å; L135-F140 HydrophobicContact CD1-CD2 4.25Å; L135-F144 HydrophobicContact CD1-CE2 4.5Å
136	A	94.4	Very high	89.9	Confident	22 Å²	22	67.2 Å²	67.2	18%	0.182	35%	0.354	C	S	.	.			trans	-63.7	140.5	167.5	0	0	0	0	0	109.7	A101 R138 E139 F140	A101-A136 HydrophobicContact CB-CB 3.76Å; A136-R138 PolarHBondContact O-N 3.08Å; A136-E139 HydrophobicContact CB-CB 4.46Å; A136-E139 HydrophobicContact CB-CG 4.18Å; A136-E139 PolarHBondContact O-N 3.26Å; A136-F140 PolarHBondContact O-N 3.22Å
137	Q	91.6	Very high	89.4	Confident	62 Å²	62	70.9 Å²	70.9	29%	0.29	37%	0.371	S	S	.	.	H	α-helix	trans	-52.4	-44	-178.6	178.3	72.5	7.1	0	0	111.6	V36 E37 E139 F140 D141	V36-Q137 HydrophobicContact CG1-CB 4.47Å; E37-Q137 PolarHBondContact O-OE1 2.81Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-E139 PolarHBondContact O-N 2.89Å; Q137-F140 WeakPolarHBondContact O-CB 3.39Å; Q137-F140 PolarHBondContact O-N 2.99Å; Q137-D141 PolarHBondContact NE2-OD2 2.88Å; Q137-D141 VanDerWaalsContact O-CG 3.29Å; Q137-D141 PolarHBondContact O-N 3.18Å
138	R	91.2	Very high	89.1	Confident	197 Å²	197	76.6 Å²	76.6	74%	0.743	39%	0.385	S	S	*	.	H	α-helix	trans	-60.1	-39.2	177.4	-175.9	-179.1	66.7	138.7	-0.6	113.2	A136 R142	A136-R138 PolarHBondContact O-N 3.08Å; R138-R142 WeakPolarHBondContact O-CB 2.83Å; R138-R142 PolarHBondContact O-N 3.38Å
139	E	90.1	Very high	89	Confident	69 Å²	69	80.8 Å²	80.8	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-72.8	-37.3	179.7	-67.4	-171.8	170.5	0	0	111.8	A136 Q137 R143	A136-E139 HydrophobicContact CB-CB 4.46Å; A136-E139 HydrophobicContact CB-CG 4.18Å; A136-E139 PolarHBondContact O-N 3.26Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-E139 PolarHBondContact O-N 2.89Å; E139-R143 WeakPolarHBondContact O-CG 3.34Å; E139-R143 PolarHBondContact O-N 3Å
140	F	90.9	Very high	89.1	Confident	27 Å²	27	82.9 Å²	82.9	12%	0.118	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-50.7	172.3	-177.6	-89.4	0	0	0	110.4	Y34 V36 L135 A136 Q137 R142 R143 F144	Y34-F140 HydrophobicContact CD2-CE2 4.06Å; Y34-F140 HydrophobicContact CG-CE2 4.14Å; V36-F140 HydrophobicContact CG1-CB 3.81Å; V36-F140 HydrophobicContact CG1-CG 4.07Å; V36-F140 HydrophobicContact CG2-CB 4.2Å; V36-F140 HydrophobicContact CG2-CD2 3.4Å; V36-F140 VanDerWaalsContact CG2-CD2 3.4Å; V36-F140 HydrophobicContact CG2-CE2 3.87Å; V36-F140 HydrophobicContact CG2-CG 3.77Å; L135-F140 HydrophobicContact CD1-CD2 4.25Å; A136-F140 PolarHBondContact O-N 3.22Å; Q137-F140 WeakPolarHBondContact O-CB 3.39Å; Q137-F140 PolarHBondContact O-N 2.99Å; F140-R142 VanDerWaalsContact C-N 3.34Å; F140-R142 PolarHBondContact O-N 3.36Å; F140-R143 PolarHBondContact O-N 2.94Å; F140-R143 VanDerWaalsContact O-N 3.08Å; F140-F144 HydrophobicContact CD1-CB 4.46Å; F140-F144 HydrophobicContact CD1-CD2 4.42Å; F140-F144 AromaticContact CD2-CD2 3.39Å; F140-F144 HydrophobicContact CD2-CD2 3.39Å; F140-F144 AromaticContact CD2-CE2 3.83Å; F140-F144 HydrophobicContact CD2-CE2 3.83Å; F140-F144 HydrophobicContact CD2-CG 4.35Å; F140-F144 HydrophobicContact CE1-CB 4.04Å; F140-F144 HydrophobicContact CE1-CD2 4.44Å; F140-F144 HydrophobicContact CE2-CB 4.3Å; F140-F144 AromaticContact CE2-CD2 3.44Å; F140-F144 HydrophobicContact CE2-CD2 3.44Å; F140-F144 VanDerWaalsContact CE2-CD2 3.44Å; F140-F144 AromaticContact CE2-CE2 3.95Å; F140-F144 HydrophobicContact CE2-CE2 3.95Å; F140-F144 HydrophobicContact CE2-CG 4.02Å; F140-F144 AromaticContact CG-CD2 3.92Å; F140-F144 HydrophobicContact CG-CD2 3.92Å; F140-F144 HydrophobicContact CZ-CB 3.96Å; F140-F144 AromaticContact CZ-CD2 3.99Å; F140-F144 HydrophobicContact CZ-CD2 3.99Å; F140-F144 HydrophobicContact CZ-CG 4.17Å; F140-F144 WeakPolarHBondContact O-CB 3.32Å; F140-F144 WeakPolarHBondContact O-CD2 3.47Å; F140-F144 PolarHBondContact O-N 3.45Å
141	D	88.4	Confident	89.2	Confident	57 Å²	57	89.9 Å²	89.9	31%	0.305	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-40.7	180	-66.8	-22	0	0	0	111.1	R39 Q137 R143 S145	R39-D141 IonicContact NH2-OD1 3.84Å; R39-D141 PolarHBondContact NH2-OD1 3.31Å; Q137-D141 PolarHBondContact NE2-OD2 2.88Å; Q137-D141 VanDerWaalsContact O-CG 3.29Å; Q137-D141 PolarHBondContact O-N 3.18Å; D141-R143 VanDerWaalsContact C-N 3.26Å; D141-R143 PolarHBondContact O-N 2.89Å; D141-S145 WeakPolarHBondContact O-CA 3.42Å; D141-S145 WeakPolarHBondContact O-CB 3.45Å; D141-S145 PolarHBondContact O-N 3.31Å
142	R	88.5	Confident	89.3	Confident	162 Å²	162	86.2 Å²	86.2	61%	0.611	42%	0.416	S	S	*	.	H	α-helix	trans	-59.4	-35.1	175	-175.3	178.9	61.9	-174.9	-5.4	113.4	R138 F140	R138-R142 WeakPolarHBondContact O-CB 2.83Å; R138-R142 PolarHBondContact O-N 3.38Å; F140-R142 VanDerWaalsContact C-N 3.34Å; F140-R142 PolarHBondContact O-N 3.36Å
143	R	86.6	Confident	89.6	Confident	159 Å²	159	87.3 Å²	87.3	60%	0.6	42%	0.423	S	S	*	.	H	α-helix	trans	-89	-32.8	-176.4	-70.2	-177	-175.5	-171.7	5.9	113.3	E139 F140 D141	E139-R143 WeakPolarHBondContact O-CG 3.34Å; E139-R143 PolarHBondContact O-N 3Å; F140-R143 PolarHBondContact O-N 2.94Å; F140-R143 VanDerWaalsContact O-N 3.08Å; D141-R143 VanDerWaalsContact C-N 3.26Å; D141-R143 PolarHBondContact O-N 2.89Å
144	F	84.4	Confident	89.7	Confident	83 Å²	83	91.3 Å²	91.3	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-125.1	-2	-167	-56	-72.7	0	0	0	113.7	Y34 L135 F140 P146	Y34-F144 HydrophobicContact CD1-CZ 4.45Å; Y34-F144 HydrophobicContact CE1-CE2 4.4Å; Y34-F144 AromaticContact CE1-CZ 3.83Å; Y34-F144 HydrophobicContact CE1-CZ 3.83Å; Y34-F144 HydrophobicContact CE2-CE1 4.28Å; Y34-F144 HydrophobicContact CE2-CZ 4.19Å; Y34-F144 AromaticContact CZ-CE1 3.98Å; Y34-F144 AromaticContact CZ-CZ 3.69Å; L135-F144 HydrophobicContact CD1-CE2 4.5Å; F140-F144 HydrophobicContact CD1-CB 4.46Å; F140-F144 HydrophobicContact CD1-CD2 4.42Å; F140-F144 AromaticContact CD2-CD2 3.39Å; F140-F144 HydrophobicContact CD2-CD2 3.39Å; F140-F144 AromaticContact CD2-CE2 3.83Å; F140-F144 HydrophobicContact CD2-CE2 3.83Å; F140-F144 HydrophobicContact CD2-CG 4.35Å; F140-F144 HydrophobicContact CE1-CB 4.04Å; F140-F144 HydrophobicContact CE1-CD2 4.44Å; F140-F144 HydrophobicContact CE2-CB 4.3Å; F140-F144 AromaticContact CE2-CD2 3.44Å; F140-F144 HydrophobicContact CE2-CD2 3.44Å; F140-F144 VanDerWaalsContact CE2-CD2 3.44Å; F140-F144 AromaticContact CE2-CE2 3.95Å; F140-F144 HydrophobicContact CE2-CE2 3.95Å; F140-F144 HydrophobicContact CE2-CG 4.02Å; F140-F144 AromaticContact CG-CD2 3.92Å; F140-F144 HydrophobicContact CG-CD2 3.92Å; F140-F144 HydrophobicContact CZ-CB 3.96Å; F140-F144 AromaticContact CZ-CD2 3.99Å; F140-F144 HydrophobicContact CZ-CD2 3.99Å; F140-F144 HydrophobicContact CZ-CG 4.17Å; F140-F144 WeakPolarHBondContact O-CB 3.32Å; F140-F144 WeakPolarHBondContact O-CD2 3.47Å; F140-F144 PolarHBondContact O-N 3.45Å; F144-P146 WeakPolarHBondContact O-CD 3.46Å
145	S	83.3	Confident	89.7	Confident	49 Å²	49	92.1 Å²	92.1	34%	0.343	44%	0.441	S	S	.	.			trans	-66.6	125.2	174.2	-178.7	0	0	0	0	109.8	D141 H147	D141-S145 WeakPolarHBondContact O-CA 3.42Å; D141-S145 WeakPolarHBondContact O-CB 3.45Å; D141-S145 PolarHBondContact O-N 3.31Å; S145-H147 PolarHBondContact O-CE1 2.79Å; S145-H147 PolarHBondContact O-N 2.77Å; S145-H147 PolarHBondContact O-ND1 3.37Å
146	P	78.9	Confident	89.8	Confident	73 Å²	73	95 Å²	95	47%	0.474	46%	0.46	S	S	.	.			trans	-75	107.5	168.4	31.3	-31.1	0	0	0	107.8	F144 Y148	F144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-Y148 HydrophobicContact CB-CD2 3.72Å; P146-Y148 HydrophobicContact CB-CE1 4.14Å; P146-Y148 HydrophobicContact CB-CE2 3.3Å; P146-Y148 HydrophobicContact CB-CG 4.31Å; P146-Y148 HydrophobicContact CG-CD2 3.8Å; P146-Y148 HydrophobicContact CG-CE2 3.32Å; P146-Y148 PolarHBondContact O-N 3.25Å
147	H	84.9	Confident	89.8	Confident	87 Å²	87	101 Å²	101	40%	0.403	49%	0.486	S	S	.	.			trans	-74.3	53.2	-177.2	-64.4	70.1	0	0	0	111.5	S145 L149 D150 W151	S145-H147 PolarHBondContact O-CE1 2.79Å; S145-H147 PolarHBondContact O-N 2.77Å; S145-H147 PolarHBondContact O-ND1 3.37Å; H147-L149 VanDerWaalsContact C-N 3.31Å; H147-L149 PolarHBondContact O-N 3.23Å; H147-D150 HydrophobicContact CB-CB 4.11Å; H147-D150 IonicContact CD2-OD2 2.73Å; H147-D150 PolarHBondContact CD2-OD2 3.18Å; H147-D150 VanDerWaalsContact CD2-OD2 3.25Å; H147-D150 IonicContact CG-OD2 3.04Å; H147-D150 PolarHBondContact O-N 3.17Å; H147-D150 VanDerWaalsContact O-N 3.15Å; H147-W151 PolarHBondContact O-N 2.92Å
148	Y	87.5	Confident	90	Very high	176 Å²	176	99.9 Å²	99.9	69%	0.69	48%	0.484	S	S	*	.	H	α-helix	trans	-59	-40	-171.4	-69.9	-60.6	0	0	0	113	P146 W151 A152	P146-Y148 HydrophobicContact CB-CD2 3.72Å; P146-Y148 HydrophobicContact CB-CE1 4.14Å; P146-Y148 HydrophobicContact CB-CE2 3.3Å; P146-Y148 HydrophobicContact CB-CG 4.31Å; P146-Y148 HydrophobicContact CG-CD2 3.8Å; P146-Y148 HydrophobicContact CG-CE2 3.32Å; P146-Y148 PolarHBondContact O-N 3.25Å; Y148-W151 PolarHBondContact O-N 2.81Å; Y148-A152 WeakPolarHBondContact O-CB 3.38Å; Y148-A152 PolarHBondContact O-N 2.83Å
149	L	88.4	Confident	90.2	Very high	147 Å²	147	95.8 Å²	95.8	77%	0.77	48%	0.476	S	S	*	.	H	α-helix	trans	-67.2	-38.7	178.4	-68.5	178.9	0	0	0	111.7	H147 A152 A153	H147-L149 VanDerWaalsContact C-N 3.31Å; H147-L149 PolarHBondContact O-N 3.23Å; L149-A152 PolarHBondContact O-N 2.91Å; L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 2.89Å
150	D	89.7	Confident	90.3	Very high	102 Å²	102	95.8 Å²	95.8	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-68.1	-40.8	177.7	-57.9	-23.5	0	0	0	110.8	H147 A152 A153 F154	H147-D150 HydrophobicContact CB-CB 4.11Å; H147-D150 IonicContact CD2-OD2 2.73Å; H147-D150 PolarHBondContact CD2-OD2 3.18Å; H147-D150 VanDerWaalsContact CD2-OD2 3.25Å; H147-D150 IonicContact CG-OD2 3.04Å; H147-D150 PolarHBondContact O-N 3.17Å; H147-D150 VanDerWaalsContact O-N 3.15Å; D150-A152 VanDerWaalsContact C-N 3.35Å; D150-A152 PolarHBondContact O-N 3.49Å; D150-A153 PolarHBondContact O-N 3.15Å; D150-F154 WeakPolarHBondContact O-CB 3.43Å; D150-F154 PolarHBondContact O-N 3.49Å
151	W	92.8	Very high	90.5	Very high	178 Å²	178	98.9 Å²	98.9	67%	0.674	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-40.1	172.5	-79.2	113.8	0	0	0	112.6	H147 Y148 F154 G155	H147-W151 PolarHBondContact O-N 2.92Å; Y148-W151 PolarHBondContact O-N 2.81Å; W151-F154 HydrophobicContact CE3-CD1 4.33Å; W151-F154 HydrophobicContact CZ3-CD1 4.36Å; W151-F154 PolarHBondContact O-N 3.5Å; W151-G155 PolarHBondContact O-N 3.29Å
152	A	94.2	Very high	90.8	Very high	55 Å²	55	101.4 Å²	101.4	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-44.9	176	0	0	0	0	0	111.4	Y148 L149 D150 F154 G155 V156	Y148-A152 WeakPolarHBondContact O-CB 3.38Å; Y148-A152 PolarHBondContact O-N 2.83Å; L149-A152 PolarHBondContact O-N 2.91Å; D150-A152 VanDerWaalsContact C-N 3.35Å; D150-A152 PolarHBondContact O-N 3.49Å; A152-F154 PolarHBondContact O-N 3.38Å; A152-G155 WeakPolarHBondContact O-CA 3.49Å; A152-G155 PolarHBondContact O-N 2.86Å; A152-V156 WeakPolarHBondContact O-CG2 3.45Å; A152-V156 PolarHBondContact O-N 2.98Å
153	A	94.6	Very high	91.1	Very high	43 Å²	43	94.9 Å²	94.9	36%	0.355	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-45.5	176.1	0	0	0	0	0	111.3	L149 D150 G155 V156 M157	L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 2.89Å; D150-A153 PolarHBondContact O-N 3.15Å; A153-G155 VanDerWaalsContact C-N 3.32Å; A153-G155 PolarHBondContact O-N 3.35Å; A153-V156 PolarHBondContact O-N 3.48Å; A153-M157 WeakPolarHBondContact O-CB 3.38Å; A153-M157 VanDerWaalsContact O-CG 3.3Å; A153-M157 WeakPolarHBondContact O-CG 3.3Å; A153-M157 PolarHBondContact O-N 3.44Å
154	F	95	Very high	91.4	Very high	122 Å²	122	92.1 Å²	92.1	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-58.3	-44.1	173.5	178.2	-97.5	0	0	0	112	D150 W151 A152 V156 M157 T158	D150-F154 WeakPolarHBondContact O-CB 3.43Å; D150-F154 PolarHBondContact O-N 3.49Å; W151-F154 HydrophobicContact CE3-CD1 4.33Å; W151-F154 HydrophobicContact CZ3-CD1 4.36Å; W151-F154 PolarHBondContact O-N 3.5Å; A152-F154 PolarHBondContact O-N 3.38Å; F154-V156 PolarHBondContact O-N 3.2Å; F154-M157 PolarHBondContact O-N 3.01Å; F154-T158 HydrophobicContact CD1-CG2 4.45Å; F154-T158 HydrophobicContact CD2-CG2 4.4Å; F154-T158 HydrophobicContact CE1-CG2 4.03Å; F154-T158 HydrophobicContact CE2-CG2 3.97Å; F154-T158 HydrophobicContact CZ-CG2 3.77Å; F154-T158 WeakPolarHBondContact O-CG2 3.37Å; F154-T158 PolarHBondContact O-N 3.43Å; F154-T158 PolarHBondContact O-OG1 2.89Å
155	G	94	Very high	91.9	Very high	28 Å²	28	91.7 Å²	91.7	29%	0.289	50%	0.504	S	S	.	.	H	α-helix	trans	-54.6	-52.4	173.2	0	0	0	0	0	111.8	W151 A152 A153 M157 T158 L159	W151-G155 PolarHBondContact O-N 3.29Å; A152-G155 WeakPolarHBondContact O-CA 3.49Å; A152-G155 PolarHBondContact O-N 2.86Å; A153-G155 VanDerWaalsContact C-N 3.32Å; A153-G155 PolarHBondContact O-N 3.35Å; G155-M157 PolarHBondContact O-N 3.05Å; G155-T158 PolarHBondContact O-N 3.27Å; G155-T158 PolarHBondContact O-OG1 3.37Å; G155-L159 WeakPolarHBondContact O-CG 3.22Å; G155-L159 PolarHBondContact O-N 3.22Å
156	V	95.9	Very high	92.5	Very high	97 Å²	97	93.4 Å²	93.4	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-62.2	-42.1	179.7	175.2	0	0	0	0	112.1	A152 A153 F154 T158 L159 P160	A152-V156 WeakPolarHBondContact O-CG2 3.45Å; A152-V156 PolarHBondContact O-N 2.98Å; A153-V156 PolarHBondContact O-N 3.48Å; F154-V156 PolarHBondContact O-N 3.2Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 3.25Å; V156-L159 WeakPolarHBondContact O-CB 3.49Å; V156-L159 PolarHBondContact O-N 2.96Å; V156-P160 WeakPolarHBondContact O-CD 3.4Å
157	M	95.6	Very high	93.2	Very high	147 Å²	147	95.7 Å²	95.7	72%	0.724	52%	0.516	S	S	*	.	H	α-helix	trans	-66.4	-28.6	179.8	-71.6	-179.8	-176.2	0	0	113.1	A153 F154 G155 P160	A153-M157 WeakPolarHBondContact O-CB 3.38Å; A153-M157 VanDerWaalsContact O-CG 3.3Å; A153-M157 WeakPolarHBondContact O-CG 3.3Å; A153-M157 PolarHBondContact O-N 3.44Å; F154-M157 PolarHBondContact O-N 3.01Å; G155-M157 PolarHBondContact O-N 3.05Å; M157-P160 WeakPolarHBondContact O-CD 3.42Å
158	T	95.4	Very high	93.6	Very high	40 Å²	40	96.8 Å²	96.8	25%	0.245	52%	0.524	C	S	.	.	H	α-helix	trans	-86.6	-14.4	178	55.6	0	0	0	0	113.4	F154 G155 V156 S161 I162	F154-T158 HydrophobicContact CD1-CG2 4.45Å; F154-T158 HydrophobicContact CD2-CG2 4.4Å; F154-T158 HydrophobicContact CE1-CG2 4.03Å; F154-T158 HydrophobicContact CE2-CG2 3.97Å; F154-T158 HydrophobicContact CZ-CG2 3.77Å; F154-T158 WeakPolarHBondContact O-CG2 3.37Å; F154-T158 PolarHBondContact O-N 3.43Å; F154-T158 PolarHBondContact O-OG1 2.89Å; G155-T158 PolarHBondContact O-N 3.27Å; G155-T158 PolarHBondContact O-OG1 3.37Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 3.25Å; T158-S161 PolarHBondContact O-N 2.7Å; T158-I162 PolarHBondContact O-N 2.97Å; T158-I162 VanDerWaalsContact O-N 3.12Å
159	L	94.3	Very high	93.9	Very high	111 Å²	111	95 Å²	95	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-56.9	-41.9	178.8	-74.1	177.2	0	0	0	114.3	G155 V156 G163	G155-L159 WeakPolarHBondContact O-CG 3.22Å; G155-L159 PolarHBondContact O-N 3.22Å; V156-L159 WeakPolarHBondContact O-CB 3.49Å; V156-L159 PolarHBondContact O-N 2.96Å; L159-G163 WeakPolarHBondContact O-CA 3.42Å; L159-G163 PolarHBondContact O-N 3.23Å
160	P	94	Very high	94.1	Very high	68 Å²	68	93.4 Å²	93.4	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-42.8	177.7	-23.3	35	0	0	0	112.1	V156 M157 I162 I164	V156-P160 WeakPolarHBondContact O-CD 3.4Å; M157-P160 WeakPolarHBondContact O-CD 3.42Å; P160-I162 VanDerWaalsContact C-N 3.31Å; P160-I162 PolarHBondContact O-N 3.43Å; P160-I164 HydrophobicContact CB-CD1 4.17Å; P160-I164 VanDerWaalsContact O-CB 3.31Å; P160-I164 WeakPolarHBondContact O-CB 3.25Å; P160-I164 VanDerWaalsContact O-CG1 3.29Å; P160-I164 WeakPolarHBondContact O-CG1 3.4Å; P160-I164 PolarHBondContact O-N 3.02Å
161	S	94.1	Very high	94.1	Very high	93 Å²	93	91.4 Å²	91.4	65%	0.65	50%	0.498	S	S	*	.	H	α-helix	trans	-66.9	-30.4	-177.6	-58.2	0	0	0	0	113.1	T158 P165	T158-S161 PolarHBondContact O-N 2.7Å; S161-P165 VanDerWaalsContact O-CD 3.23Å; S161-P165 WeakPolarHBondContact O-CD 3.31Å; S161-P165 VanDerWaalsContact O-CG 3.31Å; S161-P165 WeakPolarHBondContact O-CG 3.41Å
162	I	94.2	Very high	94	Very high	110 Å²	110	85.6 Å²	85.6	56%	0.564	48%	0.484	S	S	*	.	H	α-helix	trans	-93	-42.8	176.9	-61	171	0	0	0	110.9	T158 P160 L166	T158-I162 PolarHBondContact O-N 2.97Å; T158-I162 VanDerWaalsContact O-N 3.12Å; P160-I162 VanDerWaalsContact C-N 3.31Å; P160-I162 PolarHBondContact O-N 3.43Å; I162-L166 VanDerWaalsContact O-CB 3.24Å; I162-L166 WeakPolarHBondContact O-CB 3.24Å; I162-L166 PolarHBondContact O-N 3.28Å
163	G	94.8	Very high	93.7	Very high	24 Å²	24	87.6 Å²	87.6	25%	0.247	48%	0.482	C	S	.	.	H	α-helix	trans	-70.9	-42.9	-173	0	0	0	0	0	113.5	L159 L166 L167	L159-G163 WeakPolarHBondContact O-CA 3.42Å; L159-G163 PolarHBondContact O-N 3.23Å; G163-L166 PolarHBondContact O-N 3.49Å; G163-L167 WeakPolarHBondContact O-CB 3.29Å; G163-L167 VanDerWaalsContact O-CG 3.25Å; G163-L167 WeakPolarHBondContact O-CG 3.23Å; G163-L167 PolarHBondContact O-N 2.99Å
164	I	94.3	Very high	93.2	Very high	101 Å²	101	95 Å²	95	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-51.8	-179.3	-64.5	167.5	0	0	0	110.9	P160 L166 L167 L168	P160-I164 HydrophobicContact CB-CD1 4.17Å; P160-I164 VanDerWaalsContact O-CB 3.31Å; P160-I164 WeakPolarHBondContact O-CB 3.25Å; P160-I164 VanDerWaalsContact O-CG1 3.29Å; P160-I164 WeakPolarHBondContact O-CG1 3.4Å; P160-I164 PolarHBondContact O-N 3.02Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.37Å; I164-L167 PolarHBondContact O-N 3.36Å; I164-L168 HydrophobicContact CG2-CD1 4.01Å; I164-L168 HydrophobicContact CG2-CG 4.48Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.25Å; I164-L168 PolarHBondContact O-N 2.88Å
165	P	95	Very high	92.7	Very high	75 Å²	75	96.2 Å²	96.2	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-38.4	176.4	-25.5	36.6	0	0	0	113.4	S161 L168 W169	S161-P165 VanDerWaalsContact O-CD 3.23Å; S161-P165 WeakPolarHBondContact O-CD 3.31Å; S161-P165 VanDerWaalsContact O-CG 3.31Å; S161-P165 WeakPolarHBondContact O-CG 3.41Å; P165-L168 PolarHBondContact O-N 2.9Å; P165-W169 WeakPolarHBondContact O-CB 3.43Å; P165-W169 PolarHBondContact O-N 3.04Å
166	L	94.5	Very high	92	Very high	85 Å²	85	102.7 Å²	102.7	45%	0.445	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-45	179.3	-176.7	129.8	0	0	0	111.8	I162 G163 I164 L168 W169 F170	I162-L166 VanDerWaalsContact O-CB 3.24Å; I162-L166 WeakPolarHBondContact O-CB 3.24Å; I162-L166 PolarHBondContact O-N 3.28Å; G163-L166 PolarHBondContact O-N 3.49Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.37Å; L166-L168 VanDerWaalsContact C-N 3.35Å; L166-L168 PolarHBondContact O-N 3.35Å; L166-W169 PolarHBondContact O-N 3.25Å; L166-F170 HydrophobicContact CD1-CE2 4.24Å; L166-F170 HydrophobicContact CD2-CD2 3.71Å; L166-F170 HydrophobicContact CD2-CE2 3.6Å; L166-F170 HydrophobicContact CG-CD2 3.83Å; L166-F170 HydrophobicContact CG-CE2 3.72Å; L166-F170 VanDerWaalsContact O-CD2 3.25Å; L166-F170 WeakPolarHBondContact O-CD2 3.47Å; L166-F170 PolarHBondContact O-N 3.34Å
167	L	93.9	Very high	91.1	Very high	120 Å²	120	103 Å²	103	63%	0.628	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-43.7	174.9	-72.8	173.3	0	0	0	111.6	G163 I164 F170 S171	G163-L167 WeakPolarHBondContact O-CB 3.29Å; G163-L167 VanDerWaalsContact O-CG 3.25Å; G163-L167 WeakPolarHBondContact O-CG 3.23Å; G163-L167 PolarHBondContact O-N 2.99Å; I164-L167 PolarHBondContact O-N 3.36Å; L167-F170 PolarHBondContact O-N 3.39Å; L167-S171 WeakPolarHBondContact O-CB 3.31Å; L167-S171 PolarHBondContact O-N 3.12Å
168	L	94	Very high	89.9	Confident	110 Å²	110	99.7 Å²	99.7	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-61	-44.9	175.6	-71.1	174	0	0	0	111.2	I164 P165 L166 S171 S172	I164-L168 HydrophobicContact CG2-CD1 4.01Å; I164-L168 HydrophobicContact CG2-CG 4.48Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.25Å; I164-L168 PolarHBondContact O-N 2.88Å; P165-L168 PolarHBondContact O-N 2.9Å; L166-L168 VanDerWaalsContact C-N 3.35Å; L166-L168 PolarHBondContact O-N 3.35Å; L168-S171 PolarHBondContact O-N 3.25Å; L168-S171 PolarHBondContact O-OG 3.38Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 2.93Å
169	W	93.9	Very high	88.6	Confident	140 Å²	140	103.8 Å²	103.8	53%	0.53	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-48.1	176.8	175.1	83.9	0	0	0	112.3	P165 L166 S171 S172 K173	P165-W169 WeakPolarHBondContact O-CB 3.43Å; P165-W169 PolarHBondContact O-N 3.04Å; L166-W169 PolarHBondContact O-N 3.25Å; W169-S171 VanDerWaalsContact C-N 3.3Å; W169-S171 PolarHBondContact O-N 3.07Å; W169-S172 WeakPolarHBondContact O-CB 3.23Å; W169-S172 PolarHBondContact O-N 3.29Å; W169-S172 VanDerWaalsContact O-N 3.15Å; W169-K173 HydrophobicContact CH2-CD 3.7Å; W169-K173 HydrophobicContact CZ2-CD 3.34Å; W169-K173 WeakPolarHBondContact O-CB 3.26Å; W169-K173 PolarHBondContact O-N 2.98Å
170	F	92	Very high	87.2	Confident	113 Å²	113	108.2 Å²	108.2	50%	0.496	55%	0.554	S	S	.	*	H	α-helix	trans	-59.6	-42.1	177.3	-89.4	-70	0	0	0	111.9	L166 L167 S172 R174	L166-F170 HydrophobicContact CD1-CE2 4.24Å; L166-F170 HydrophobicContact CD2-CD2 3.71Å; L166-F170 HydrophobicContact CD2-CE2 3.6Å; L166-F170 HydrophobicContact CG-CD2 3.83Å; L166-F170 HydrophobicContact CG-CE2 3.72Å; L166-F170 VanDerWaalsContact O-CD2 3.25Å; L166-F170 WeakPolarHBondContact O-CD2 3.47Å; L166-F170 PolarHBondContact O-N 3.34Å; L167-F170 PolarHBondContact O-N 3.39Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 2.66Å; F170-R174 WeakPolarHBondContact O-CB 3.39Å; F170-R174 PolarHBondContact O-N 3.34Å
171	S	90.4	Very high	86	Confident	60 Å²	60	109.6 Å²	109.6	42%	0.42	57%	0.572	S	S	.	*	H	α-helix	trans	-62.6	-40.5	176.9	80.6	0	0	0	0	112.1	L167 L168 W169 K175	L167-S171 WeakPolarHBondContact O-CB 3.31Å; L167-S171 PolarHBondContact O-N 3.12Å; L168-S171 PolarHBondContact O-N 3.25Å; L168-S171 PolarHBondContact O-OG 3.38Å; W169-S171 VanDerWaalsContact C-N 3.3Å; W169-S171 PolarHBondContact O-N 3.07Å; S171-K175 PolarHBondContact O-N 2.85Å
172	S	90.9	Very high	84.3	Confident	56 Å²	56	114.6 Å²	114.6	39%	0.392	58%	0.582	S	S	.	*	H	α-helix	trans	-68.2	-49.3	178.4	-175.3	0	0	0	0	111.3	L168 W169 F170 R174 K175 Y176	L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 2.93Å; W169-S172 WeakPolarHBondContact O-CB 3.23Å; W169-S172 PolarHBondContact O-N 3.29Å; W169-S172 VanDerWaalsContact O-N 3.15Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 2.66Å; S172-R174 PolarHBondContact O-N 3.38Å; S172-K175 WeakPolarHBondContact O-CB 3.33Å; S172-K175 PolarHBondContact O-N 2.91Å; S172-Y176 WeakPolarHBondContact O-CD2 3.37Å; S172-Y176 PolarHBondContact O-N 2.87Å; S172-Y176 VanDerWaalsContact O-N 3.08Å
173	K	87.8	Confident	82.6	Confident	96 Å²	96	119.2 Å²	119.2	42%	0.417	60%	0.598	S	S	.	*	H	α-helix	trans	-60.1	-45.1	-179	-170.2	158.3	176.6	78.4	0	111.7	W169 K175 Y176 D177	W169-K173 HydrophobicContact CH2-CD 3.7Å; W169-K173 HydrophobicContact CZ2-CD 3.34Å; W169-K173 WeakPolarHBondContact O-CB 3.26Å; W169-K173 PolarHBondContact O-N 2.98Å; K173-K175 PolarHBondContact O-N 3.41Å; K173-Y176 PolarHBondContact O-N 3.47Å; K173-D177 VanDerWaalsContact CE-OD2 3.26Å; K173-D177 WeakPolarHBondContact CE-OD2 3.49Å; K173-D177 HydrophobicContact CG-CB 4.42Å; K173-D177 VanDerWaalsContact CG-OD2 3.23Å; K173-D177 WeakPolarHBondContact CG-OD2 3.48Å; K173-D177 IonicContact NZ-OD2 2.7Å; K173-D177 PolarHBondContact NZ-OD2 2.73Å; K173-D177 WeakPolarHBondContact O-CB 3.2Å; K173-D177 PolarHBondContact O-N 3.15Å
174	R	84.1	Confident	80.5	Confident	199 Å²	199	128.7 Å²	128.7	75%	0.751	64%	0.643	S	S	*	*	H	α-helix	trans	-57.4	-37.6	175.5	-173.3	173.4	65.6	-177.8	0.6	112.4	F170 S172 S178	F170-R174 WeakPolarHBondContact O-CB 3.39Å; F170-R174 PolarHBondContact O-N 3.34Å; S172-R174 PolarHBondContact O-N 3.38Å; R174-S178 PolarHBondContact O-OG 3.2Å
175	K	82.8	Confident	79.8	Confident	147 Å²	147	130.1 Å²	130.1	64%	0.639	65%	0.649	S	S	*	*	H	α-helix	trans	-72.7	-37.8	-178.5	-170.9	176.7	-179.5	-176.7	0	113	S171 S172 K173	S171-K175 PolarHBondContact O-N 2.85Å; S172-K175 WeakPolarHBondContact O-CB 3.33Å; S172-K175 PolarHBondContact O-N 2.91Å; K173-K175 PolarHBondContact O-N 3.41Å
176	Y	80.1	Confident	79	Confident	164 Å²	164	132.9 Å²	132.9	64%	0.643	66%	0.658	S	S	*	*	H	α-helix	trans	-104.1	-21	-170.1	-63.7	-68.1	0	0	0	115.1	S172 K173 S178	S172-Y176 WeakPolarHBondContact O-CD2 3.37Å; S172-Y176 PolarHBondContact O-N 2.87Å; S172-Y176 VanDerWaalsContact O-N 3.08Å; K173-Y176 PolarHBondContact O-N 3.47Å; Y176-S178 VanDerWaalsContact C-N 3.35Å
177	D	77.1	Confident	78.2	Confident	105 Å²	105	135.6 Å²	135.6	56%	0.561	67%	0.669	S	S	*	*	S	Bend	trans	-89.2	2.2	176.7	-81.2	-9.7	0	0	0	113.5	K173 P179	K173-D177 VanDerWaalsContact CE-OD2 3.26Å; K173-D177 WeakPolarHBondContact CE-OD2 3.49Å; K173-D177 HydrophobicContact CG-CB 4.42Å; K173-D177 VanDerWaalsContact CG-OD2 3.23Å; K173-D177 WeakPolarHBondContact CG-OD2 3.48Å; K173-D177 IonicContact NZ-OD2 2.7Å; K173-D177 PolarHBondContact NZ-OD2 2.73Å; K173-D177 WeakPolarHBondContact O-CB 3.2Å; K173-D177 PolarHBondContact O-N 3.15Å; D177-P179 WeakPolarHBondContact O-CD 3.45Å
178	S	70.9	Confident	77.2	Confident	76 Å²	76	136.5 Å²	136.5	53%	0.531	67%	0.672	S	S	.	*	S	Bend	trans	-68.4	117.3	174	-64.4	0	0	0	0	109.6	R174 Y176 K180	R174-S178 PolarHBondContact O-OG 3.2Å; Y176-S178 VanDerWaalsContact C-N 3.35Å; S178-K180 PolarHBondContact O-N 3.4Å
179	P	68.4	Low	76.2	Confident	126 Å²	126	138.2 Å²	138.2	82%	0.818	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-62.6	123.9	179.9	23.7	-31	0	0	0	109.5	D177 A181	D177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-A181 PolarHBondContact O-N 3.08Å
180	K	64.9	Low	75	Confident	204 Å²	204	138.1 Å²	138.1	89%	0.887	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-58.4	124	174.5	-74.7	-176.4	177.9	178.9	0	108.6	S178 K182	S178-K180 PolarHBondContact O-N 3.4Å; K180-K182 PolarHBondContact O-N 3.14Å; K180-K182 VanDerWaalsContact O-N 3.11Å
181	A	66.9	Low	73.8	Confident	98 Å²	98	139.9 Å²	139.9	81%	0.81	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-57	118.9	173.1	0	0	0	0	0	108.8	P179 K183	P179-A181 PolarHBondContact O-N 3.08Å; A181-K183 PolarHBondContact O-N 3.11Å; A181-K183 VanDerWaalsContact O-N 3.14Å
182	K	58.3	Low	72.5	Confident	197 Å²	197	146 Å²	146	86%	0.857	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-61.6	117	172.3	-82.4	-174.9	176.4	-179.3	0	107.4	K180 N184	K180-K182 PolarHBondContact O-N 3.14Å; K180-K182 VanDerWaalsContact O-N 3.11Å; K182-N184 PolarHBondContact O-N 3.2Å
183	K	59.1	Low	71	Confident	207 Å²	207	153.5 Å²	153.5	90%	0.9	75%	0.751	S	S	*	*			trans	-77.3	113.9	172.8	-161.1	178.8	-177.8	-174.9	0	107.1	A181	A181-K183 PolarHBondContact O-N 3.11Å; A181-K183 VanDerWaalsContact O-N 3.14Å
184	N	51.5	Low	69.5	Low	223 Å²	223	158.7 Å²	158.7	100%	1.193	78%	0.781	S	S	*	*			trans	-69.5	0	169.8	-69.9	-22.1	0	0	0	110.5	K182	K182-N184 PolarHBondContact O-N 3.2Å

Retrieved 184 of 184 residues in 208.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).