A0A2K5YUH0_MANLE Loading...

peptidylprolyl isomerase

PPIase which accelerates the folding of proteins during protein synthesis. Has a preference for substrates containing 4-hydroxylproline modifications, including type III collagen. May also target type VI and type X collagens.

AlphaFold DB , UniProt , Accession A0A2K5YUH0, Species MANLE (Mandrillus leucophaeus, Drill), Gene FKBP14, Length 211 aa.

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(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	45.1	Very low	48.7	Very low	221 Å²	221	159.7 Å²	159.7	100%	1.089	84%	0.836	S	S	*	*				0	111.7	0	-123.7	166.4	69.3	0	0	105.9
2	R	43.6	Very low	49.1	Very low	216 Å²	216	158.6 Å²	158.6	82%	0.815	83%	0.83	S	S	*	*			cis	-151	141.3	34.7	-73.2	168.1	167.6	178.1	-5.7	109.5
3	L	41.2	Very low	49.2	Very low	157 Å²	157	160.5 Å²	160.5	82%	0.822	83%	0.828	S	S	*	*			trans	-68.2	135.1	172.2	-104.1	73.5	0	0	0	110.2
4	F	45.1	Very low	49.7	Very low	212 Å²	212	158.4 Å²	158.4	93%	0.93	83%	0.826	S	S	*	*			trans	-88.8	108.9	163.9	-89.5	-92.1	0	0	0	108.7
5	L	47.3	Very low	50.2	Low	150 Å²	150	155.5 Å²	155.5	79%	0.785	82%	0.818	S	S	*	*			trans	-78.8	121.9	169.1	-91.5	99.3	0	0	0	109.5
6	C	46.8	Very low	50.4	Low	130 Å²	130	151.6 Å²	151.6	88%	0.878	81%	0.808	S	S	*	*			trans	-84.4	106.7	171.5	-153.1	0	0	0	0	108.2	A8	C6-A8 PolarHBondContact O-N 3.29Å
7	N	44.9	Very low	50.7	Low	150 Å²	150	152.3 Å²	152.3	80%	0.802	81%	0.81	S	S	*	*			trans	-82.3	98.7	174.8	-107.6	-5	0	0	0	109.2	V9	N7-V9 PolarHBondContact O-N 3.13Å
8	A	55.4	Low	51.1	Low	98 Å²	98	151.8 Å²	151.8	81%	0.81	81%	0.806	S	S	*	*			trans	-76.3	102.2	168.7	0	0	0	0	0	109.1	C6 L10	C6-A8 PolarHBondContact O-N 3.29Å; A8-L10 PolarHBondContact O-N 3.26Å
9	V	55.6	Low	51.5	Low	121 Å²	121	146.8 Å²	146.8	73%	0.733	79%	0.794	S	S	*	*			trans	-80.4	100.4	170.4	179	0	0	0	0	107.7	N7 M11	N7-V9 PolarHBondContact O-N 3.13Å; V9-M11 PolarHBondContact O-N 2.7Å; V9-M11 VanDerWaalsContact O-N 3.13Å
10	L	53.9	Low	51.8	Low	151 Å²	151	143.9 Å²	143.9	79%	0.791	79%	0.791	S	S	*	*			trans	-75.4	94.7	172.9	-163.5	83.6	0	0	0	108.6	A8 L12	A8-L10 PolarHBondContact O-N 3.26Å; L10-L12 PolarHBondContact O-N 2.81Å; L10-L12 VanDerWaalsContact O-N 3.08Å
11	M	56.9	Low	52.3	Low	151 Å²	151	144.9 Å²	144.9	74%	0.744	80%	0.795	S	S	*	*			trans	-67.8	100.1	169.7	-91.1	-81.7	-167.4	0	0	109	V9 F13	V9-M11 PolarHBondContact O-N 2.7Å; V9-M11 VanDerWaalsContact O-N 3.13Å; M11-F13 PolarHBondContact O-N 3.46Å; M11-F13 VanDerWaalsContact O-N 3.08Å
12	L	53.1	Low	53.7	Low	146 Å²	146	141.4 Å²	141.4	76%	0.764	78%	0.779	S	S	*	*			trans	-68	98.9	166.5	-84.5	156.3	0	0	0	108.5	L10 V14	L10-L12 PolarHBondContact O-N 2.81Å; L10-L12 VanDerWaalsContact O-N 3.08Å; L12-V14 PolarHBondContact O-N 3.46Å
13	F	50.5	Low	55.3	Low	183 Å²	183	136.5 Å²	136.5	80%	0.803	78%	0.775	S	S	*	*			trans	-66.6	97.9	163.9	-86.7	-89.7	0	0	0	108.2	M11 T15	M11-F13 PolarHBondContact O-N 3.46Å; M11-F13 VanDerWaalsContact O-N 3.08Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 3.32Å
14	V	56.5	Low	57.4	Low	131 Å²	131	136.3 Å²	136.3	79%	0.794	77%	0.77	S	S	*	*			trans	-68.8	95	164.3	-179.9	0	0	0	0	106.5	L12 S16	L12-V14 PolarHBondContact O-N 3.46Å; V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 3.28Å
15	T	57.5	Low	59.4	Low	116 Å²	116	128.6 Å²	128.6	71%	0.712	74%	0.741	S	S	*	*			trans	-66.5	97.6	167.3	50.9	0	0	0	0	107.3	F13 L17	F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 3.32Å; T15-L17 PolarHBondContact O-N 3.01Å
16	S	52.9	Low	61.6	Low	93 Å²	93	128.7 Å²	128.7	65%	0.65	74%	0.737	S	S	*	*			trans	-62.3	101.3	166.5	179.5	0	0	0	0	107.3	V14 I18	V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 3.28Å; S16-I18 PolarHBondContact O-N 3.08Å
17	L	54.8	Low	63.9	Low	163 Å²	163	123.2 Å²	123.2	85%	0.853	70%	0.7	S	S	*	*			trans	-65.1	90.9	160.9	-96.9	129.9	0	0	0	106.2	T15 G19	T15-L17 PolarHBondContact O-N 3.01Å; L17-G19 PolarHBondContact O-N 3.08Å
18	I	59.1	Low	66.5	Low	144 Å²	144	121.7 Å²	121.7	74%	0.738	69%	0.686	S	S	*	*			trans	-68.2	95.8	160.5	-60.1	171.3	0	0	0	104.3	S16 A20	S16-I18 PolarHBondContact O-N 3.08Å; I18-A20 PolarHBondContact O-N 2.96Å
19	G	57.4	Low	68.5	Low	56 Å²	56	120.7 Å²	120.7	58%	0.577	67%	0.666	S	S	*	*			trans	-56	110.3	164.2	0	0	0	0	0	106.7	L17 L21	L17-G19 PolarHBondContact O-N 3.08Å; G19-L21 PolarHBondContact O-N 2.98Å
20	A	58.1	Low	70.6	Confident	88 Å²	88	117.8 Å²	117.8	73%	0.727	65%	0.645	S	S	*	*			trans	-60.5	109.8	174	0	0	0	0	0	107.1	I18 I22	I18-A20 PolarHBondContact O-N 2.96Å; A20-I22 PolarHBondContact O-N 2.92Å; A20-I22 VanDerWaalsContact O-N 3.09Å
21	L	61.9	Low	72.7	Confident	166 Å²	166	113.7 Å²	113.7	87%	0.869	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-57	117.6	167.2	-101.5	92.4	0	0	0	106.7	G19	G19-L21 PolarHBondContact O-N 2.98Å
22	I	74.2	Confident	74.7	Confident	147 Å²	147	111.1 Å²	111.1	75%	0.754	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-64.3	123.4	169.5	-59.9	172.8	0	0	0	105.5	A20 E24	A20-I22 PolarHBondContact O-N 2.92Å; A20-I22 VanDerWaalsContact O-N 3.09Å; I22-E24 PolarHBondContact O-N 2.91Å
23	P	78.6	Confident	76.8	Confident	113 Å²	113	108.8 Å²	108.8	73%	0.734	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-62.1	138.7	178.6	25.7	-32.8	0	0	0	109.5
24	E	84.5	Confident	79	Confident	154 Å²	154	106.5 Å²	106.5	72%	0.72	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-56.8	142.7	174.1	-68.6	-64	156.5	0	0	109.9	I22 E26	I22-E24 PolarHBondContact O-N 2.91Å; E24-E26 PolarHBondContact O-N 3Å
25	P	88.3	Confident	80.9	Confident	50 Å²	50	102 Å²	102	33%	0.325	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-64.6	127.8	178.1	27.6	-32.9	0	0	0	109.4	P106 A108 L109	P25-P106 HydrophobicContact CB-CG 4.06Å; P25-A108 HydrophobicContact CB-CB 3.88Å; P25-A108 HydrophobicContact CG-CB 3.78Å; P25-L109 HydrophobicContact CB-CG 4.22Å; P25-L109 HydrophobicContact CG-CD2 4.39Å; P25-L109 HydrophobicContact CG-CG 4.39Å; P25-L109 WeakPolarHBondContact O-CD1 3.23Å
26	E	92.1	Very high	82.7	Confident	151 Å²	151	106.4 Å²	106.4	71%	0.706	57%	0.573	S	S	*	*			trans	-124.7	146.8	179.9	-71.3	-176.3	-178.4	0	0	111.2	E24 P106	E24-E26 PolarHBondContact O-N 3Å; E26-P106 WeakPolarHBondContact O-CD 3.38Å
27	V	96.6	Very high	84.8	Confident	16 Å²	16	106.8 Å²	106.8	10%	0.097	57%	0.566	C	S	.	*			trans	-79.7	131.2	172.2	-179.2	0	0	0	0	110.2	I29 Q90 L103 I104 I105 L109	V27-I29 HydrophobicContact CG1-CG1 4.21Å; V27-Q90 HydrophobicContact CG2-CB 4.2Å; V27-L103 HydrophobicContact CG1-CB 3.97Å; V27-L103 HydrophobicContact CG1-CD2 4.21Å; V27-I104 WeakPolarHBondContact CA-O 3.37Å; V27-I105 HydrophobicContact CG1-CG1 3.91Å; V27-I105 HydrophobicContact CG2-CG1 4.14Å; V27-I105 HydrophobicContact CG2-CG2 4.45Å; V27-L109 HydrophobicContact CG2-CD1 3.56Å
28	K	98.1	Very high	86.8	Confident	117 Å²	117	101.5 Å²	101.5	51%	0.509	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.8	166.6	-165.5	-169.4	-175	-161.8	0	109.8	E30 L103 I104	K28-E30 VanDerWaalsContact CE-OE1 3.23Å; K28-E30 WeakPolarHBondContact CE-OE1 3.03Å; K28-E30 IonicContact NZ-OE1 2.7Å; K28-E30 PolarHBondContact NZ-OE1 2.97Å; K28-L103 CarbonylContact O-C 3.6Å; K28-L103 WeakPolarHBondContact O-CA 3Å; K28-I104 HydrophobicContact CB-CB 4Å; K28-I104 HydrophobicContact CB-CG1 4.33Å; K28-I104 HydrophobicContact CD-CD1 3.87Å; K28-I104 HydrophobicContact CD-CG1 4.45Å; K28-I104 PolarHBondContact N-O 2.02Å; K28-I104 PolarHBondContact O-N 3.33Å
29	I	98.6	Very high	88.4	Confident	77 Å²	77	103 Å²	103	40%	0.395	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	-178.9	-51.5	169.7	0	0	0	109.3	V27 L103	V27-I29 HydrophobicContact CG1-CG1 4.21Å; I29-L103 HydrophobicContact CB-CD2 4.27Å; I29-L103 HydrophobicContact CG1-CD2 3.99Å; I29-L103 HydrophobicContact CG2-CD2 3.96Å
30	E	98.5	Very high	90.2	Very high	61 Å²	61	104 Å²	104	29%	0.285	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.5	172.9	-68.6	173.6	-166.1	0	0	109	K28 L32 R101 K102	K28-E30 VanDerWaalsContact CE-OE1 3.23Å; K28-E30 WeakPolarHBondContact CE-OE1 3.03Å; K28-E30 IonicContact NZ-OE1 2.7Å; K28-E30 PolarHBondContact NZ-OE1 2.97Å; E30-L32 PolarHBondContact O-N 2.84Å; E30-R101 CarbonylContact O-C 3.48Å; E30-R101 VanDerWaalsContact O-CA 3.31Å; E30-R101 WeakPolarHBondContact O-CA 3.21Å; E30-K102 HydrophobicContact CB-CB 4.19Å; E30-K102 PolarHBondContact N-O 2.9Å; E30-K102 PolarHBondContact O-N 2.99Å
31	V	98.4	Very high	92.1	Very high	64 Å²	64	106 Å²	106	39%	0.388	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.4	175	-174	0	0	0	0	108.9	K34 E99 R101	V31-K34 HydrophobicContact CG1-CD 4.26Å; V31-K34 HydrophobicContact CG1-CG 3.61Å; V31-E99 HydrophobicContact CG1-CG 3.8Å; V31-R101 HydrophobicContact CG2-CG 4.24Å
32	L	98.1	Very high	93.7	Very high	97 Å²	97	98.4 Å²	98.4	51%	0.508	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-34.3	-176.9	-55.4	-178.3	0	0	0	112	E30 K100 K102	E30-L32 PolarHBondContact O-N 2.84Å; L32-K100 HydrophobicContact CB-CB 4.15Å; L32-K100 PolarHBondContact N-O 2.73Å; L32-K102 HydrophobicContact CD1-CB 4.06Å; L32-K102 HydrophobicContact CD2-CB 3.99Å; L32-K102 HydrophobicContact CG-CB 4.1Å
33	Q	97.9	Very high	94.5	Very high	98 Å²	98	96 Å²	96	46%	0.458	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	144.1	-178.4	-175.7	-176	-53.5	0	0	109.4	G98 E99 K100	Q33-G98 PolarHBondContact NE2-O 3.11Å; Q33-E99 CarbonylContact O-C 3.57Å; Q33-E99 VanDerWaalsContact O-CA 3.28Å; Q33-E99 WeakPolarHBondContact O-CA 3.49Å; Q33-E99 WeakPolarHBondContact O-CG 3.39Å; Q33-K100 HydrophobicContact CB-CB 3.95Å; Q33-K100 HydrophobicContact CB-CD 4.15Å; Q33-K100 HydrophobicContact CB-CG 3.92Å; Q33-K100 PolarHBondContact N-O 2.82Å; Q33-K100 PolarHBondContact O-N 2.86Å
34	K	97.1	Very high	94.9	Very high	135 Å²	135	92.2 Å²	92.2	59%	0.587	45%	0.45	S	S	*	.			trans	-123.9	150.6	169.1	-76.3	-171.9	174.5	179.2	0	110.8	V31 E99	V31-K34 HydrophobicContact CG1-CD 4.26Å; V31-K34 HydrophobicContact CG1-CG 3.61Å; K34-E99 HydrophobicContact CG-CG 4.09Å
35	P	96.3	Very high	94.9	Very high	36 Å²	36	85 Å²	85	23%	0.234	42%	0.418	C	S	.	.			trans	-66.6	157	169.7	33.3	-38.9	0	0	0	110.6	I37 C38 C96 V97	P35-I37 VanDerWaalsContact C-N 3.3Å; P35-I37 WeakPolarHBondContact CB-O 3.18Å; P35-I37 PolarHBondContact O-N 2.78Å; P35-C38 HydrophobicContact CG-CB 4.41Å; P35-C96 HydrophobicContact CG-CB 3.71Å; P35-V97 WeakPolarHBondContact CB-O 3.24Å; P35-V97 VanDerWaalsContact CG-O 3.29Å; P35-V97 WeakPolarHBondContact CG-O 3.45Å
36	F	95.6	Very high	95	Very high	208 Å²	208	82.6 Å²	82.6	91%	0.912	40%	0.402	S	S	*	.	S	Bend	trans	-63.1	-38	175.2	-175.9	-109.2	0	0	0	111.9
37	I	96.8	Very high	95	Very high	101 Å²	101	77.3 Å²	77.3	52%	0.518	38%	0.378	S	S	.	.			trans	-125.8	133.7	176.8	-56.6	172.9	0	0	0	108.4	P35 H39	P35-I37 VanDerWaalsContact C-N 3.3Å; P35-I37 WeakPolarHBondContact CB-O 3.18Å; P35-I37 PolarHBondContact O-N 2.78Å; I37-H39 WeakPolarHBondContact CG2-NE2 3.31Å
38	C	97.1	Very high	95	Very high	53 Å²	53	76.5 Å²	76.5	36%	0.358	37%	0.374	S	S	.	.			trans	-116.3	104.8	173.9	177.4	0	0	0	0	109.8	P35 R40 C96	P35-C38 HydrophobicContact CG-CB 4.41Å; C38-R40 PolarHBondContact SG-O 2.92Å; C38-R40 VanDerWaalsContact SG-O 3.33Å; C38-C96 HydrophobicContact CB-CB 3.73Å; C38-C96 WeakPolarHBondContact CB-SG 3.4Å; C38-C96 WeakPolarHBondContact SG-CB 3.41Å; C38-C96 CovalentContact SG-SG 2.02Å; C38-C96 PolarHBondContact SG-SG 3.24Å
39	H	93.3	Very high	95	Very high	176 Å²	176	72.1 Å²	72.1	82%	0.815	36%	0.355	S	S	*	.	S	Bend	trans	-81.4	-31.4	179.3	-64.6	-73.1	0	0	0	113.1	I37	I37-H39 WeakPolarHBondContact CG2-NE2 3.31Å
40	R	94.1	Very high	95	Very high	77 Å²	77	68.4 Å²	68.4	29%	0.291	34%	0.337	S	S	.	.			trans	-143.5	141.9	-177.3	177.4	179	174.3	158.7	2.5	109.6	C38 D46 I134 N136	C38-R40 PolarHBondContact SG-O 2.92Å; C38-R40 VanDerWaalsContact SG-O 3.33Å; R40-D46 IonicContact CZ-OD1 2.84Å; R40-D46 IonicContact CZ-OD2 2.69Å; R40-D46 IonicContact NE-OD2 3.13Å; R40-D46 IonicContact NH2-OD1 3.94Å; R40-D46 PolarHBondContact NH2-OD1 2.88Å; R40-D46 IonicContact NH2-OD2 2.71Å; R40-D46 PolarHBondContact NH2-OD2 3.47Å; R40-I134 HydrophobicContact CG-CD1 4.23Å; R40-I134 VanDerWaalsContact NE-CG2 3.32Å; R40-N136 PolarHBondContact NH1-OD1 3.39Å; R40-N136 VanDerWaalsContact NH1-OD1 3.09Å; R40-N136 PolarHBondContact NH2-OD1 3.03Å
41	K	97.2	Very high	95	Very high	130 Å²	130	66.8 Å²	66.8	57%	0.565	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-111.3	147.5	171.3	-73.8	-177	178.7	177.3	0	110.5	M95	K41-M95 CarbonylContact C-O 3.57Å; K41-M95 VanDerWaalsContact CA-O 3.32Å; K41-M95 WeakPolarHBondContact CA-O 3.41Å
42	T	96.1	Very high	95	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.037	32%	0.316	C	S	.	.			trans	-64.8	139.1	175.9	54.7	0	0	0	0	112	D46 M48 L92 G94 M95 L131 I134	T42-D46 WeakPolarHBondContact CA-OD2 3.29Å; T42-M48 HydrophobicContact CG2-CE 3.74Å; T42-M48 HydrophobicContact CG2-CG 3.88Å; T42-M48 HydrophobicContact CG2-SD 3.7Å; T42-L92 PolarHBondContact OG1-O 2.89Å; T42-G94 WeakPolarHBondContact O-CA 3.13Å; T42-G94 PolarHBondContact O-N 2.94Å; T42-G94 PolarHBondContact OG1-N 3.15Å; T42-G94 VanDerWaalsContact OG1-N 3.09Å; T42-M95 HydrophobicContact CG2-CB 4.27Å; T42-M95 WeakPolarHBondContact CG2-O 3.5Å; T42-M95 PolarHBondContact N-O 2.7Å; T42-M95 PolarHBondContact OG1-N 3.34Å; T42-L131 HydrophobicContact CG2-CD2 3.63Å; T42-I134 HydrophobicContact CG2-CD1 3.59Å; T42-I134 HydrophobicContact CG2-CG1 3.79Å; T42-I134 HydrophobicContact CG2-CG2 4.45Å
43	K	91.3	Very high	95	Very high	97 Å²	97	63.2 Å²	63.2	42%	0.422	30%	0.304	S	S	.	.			trans	-134.4	170.3	172.8	62.8	-178.8	-173.5	-125.4	0	110.4	G45 D46	K43-G45 PolarHBondContact O-N 2.81Å; K43-D46 PolarHBondContact N-OD2 2.85Å; K43-D46 VanDerWaalsContact O-CB 3.3Å; K43-D46 WeakPolarHBondContact O-CB 3.47Å; K43-D46 PolarHBondContact O-N 3.33Å; K43-D46 VanDerWaalsContact O-N 3.15Å
44	G	86.3	Confident	95.1	Very high	32 Å²	32	58.6 Å²	58.6	33%	0.33	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	138.2	174.7	0	0	0	0	0	111.4	D46 L79	G44-D46 VanDerWaalsContact C-N 3.32Å; G44-D46 PolarHBondContact O-N 3.06Å; G44-L79 CarbonylContact C-O 3.58Å; G44-L79 WeakPolarHBondContact CA-O 3.36Å
45	G	84.5	Confident	95.1	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-6.8	-176.2	0	0	0	0	0	115.1	K43 L79 G137	K43-G45 PolarHBondContact O-N 2.81Å; G45-L79 PolarHBondContact N-O 2.86Å; G45-G137 WeakPolarHBondContact O-CA 3.31Å; G45-G137 PolarHBondContact O-N 3.18Å
46	D	90.2	Very high	95.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.4	174.8	-75	-7.7	0	0	0	111.3	R40 T42 K43 G44 T78 L79 I134 R135	R40-D46 IonicContact CZ-OD1 2.84Å; R40-D46 IonicContact CZ-OD2 2.69Å; R40-D46 IonicContact NE-OD2 3.13Å; R40-D46 IonicContact NH2-OD1 3.94Å; R40-D46 PolarHBondContact NH2-OD1 2.88Å; R40-D46 IonicContact NH2-OD2 2.71Å; R40-D46 PolarHBondContact NH2-OD2 3.47Å; T42-D46 WeakPolarHBondContact CA-OD2 3.29Å; K43-D46 PolarHBondContact N-OD2 2.85Å; K43-D46 VanDerWaalsContact O-CB 3.3Å; K43-D46 WeakPolarHBondContact O-CB 3.47Å; K43-D46 PolarHBondContact O-N 3.33Å; K43-D46 VanDerWaalsContact O-N 3.15Å; G44-D46 VanDerWaalsContact C-N 3.32Å; G44-D46 PolarHBondContact O-N 3.06Å; D46-T78 WeakPolarHBondContact O-CA 3.48Å; D46-L79 PolarHBondContact O-N 2.71Å; D46-I134 HydrophobicContact CB-CG2 3.9Å; D46-I134 WeakPolarHBondContact OD2-CG2 3.44Å; D46-R135 WeakPolarHBondContact CA-O 3.47Å
47	L	92.9	Very high	95.4	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.204	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.3	164.8	-84.3	171.1	0	0	0	109.3	W76 T78 I134 R135	L47-W76 HydrophobicContact CB-CE3 3.88Å; L47-W76 HydrophobicContact CB-CZ3 4.07Å; L47-W76 HydrophobicContact CD2-CB 4.42Å; L47-T78 WeakPolarHBondContact CD2-OG1 3Å; L47-I134 CarbonylContact O-C 3.56Å; L47-I134 WeakPolarHBondContact O-CA 3.42Å; L47-R135 HydrophobicContact CB-CB 4.03Å; L47-R135 PolarHBondContact N-O 2.92Å; L47-R135 PolarHBondContact O-N 2.68Å
48	M	97.2	Very high	95.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.6	-179.3	-60.8	-179.6	57.3	0	0	109.6	T42 V50 W76 F77 L79 L92 M95 L131	T42-M48 HydrophobicContact CG2-CE 3.74Å; T42-M48 HydrophobicContact CG2-CG 3.88Å; T42-M48 HydrophobicContact CG2-SD 3.7Å; M48-V50 HydrophobicContact CB-CG1 4.02Å; M48-V50 HydrophobicContact CE-CG1 4.22Å; M48-W76 CarbonylContact O-C 3.58Å; M48-W76 WeakPolarHBondContact O-CA 3.28Å; M48-F77 PolarHBondContact N-O 2.9Å; M48-F77 PolarHBondContact O-N 2.91Å; M48-F77 HydrophobicContact SD-CD1 4.26Å; M48-L79 HydrophobicContact SD-CB 3.91Å; M48-L79 HydrophobicContact SD-CD1 4.46Å; M48-L79 HydrophobicContact SD-CD2 4.03Å; M48-L79 HydrophobicContact SD-CG 4.36Å; M48-L92 HydrophobicContact CE-CB 4.01Å; M48-L92 HydrophobicContact CE-CD1 4.27Å; M48-L92 HydrophobicContact CE-CD2 4.46Å; M48-L92 HydrophobicContact CE-CG 4.49Å; M48-L92 HydrophobicContact SD-CB 4.2Å; M48-M95 HydrophobicContact CE-SD 4.38Å; M48-L131 HydrophobicContact CB-CD1 3.91Å; M48-L131 HydrophobicContact CE-CD1 3.7Å; M48-L131 HydrophobicContact CE-CD2 3.99Å; M48-L131 HydrophobicContact CE-CG 4.37Å; M48-L131 HydrophobicContact CG-CD1 4.3Å
49	L	97.6	Very high	95.4	Very high	24 Å²	24	51.7 Å²	51.7	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.2	168.2	-171.9	62.6	0	0	0	108.2	P74 I75 W76 L132 E133	L49-P74 HydrophobicContact CD1-CB 3.77Å; L49-P74 HydrophobicContact CD1-CG 3.72Å; L49-P74 HydrophobicContact CD2-CG 4.11Å; L49-P74 HydrophobicContact CG-CB 3.94Å; L49-P74 HydrophobicContact CG-CG 3.92Å; L49-I75 WeakPolarHBondContact CA-O 3.48Å; L49-W76 HydrophobicContact CB-CD2 4.25Å; L49-W76 HydrophobicContact CB-CE3 3.91Å; L49-W76 HydrophobicContact CB-CH2 3.68Å; L49-W76 HydrophobicContact CB-CZ2 4.02Å; L49-W76 HydrophobicContact CB-CZ3 3.63Å; L49-W76 HydrophobicContact CD1-CD2 3.91Å; L49-W76 HydrophobicContact CD1-CE3 4.42Å; L49-W76 HydrophobicContact CD1-CG 4.22Å; L49-W76 HydrophobicContact CD1-CZ2 4.03Å; L49-W76 HydrophobicContact CD2-CH2 4.45Å; L49-W76 HydrophobicContact CD2-CZ2 4.2Å; L49-W76 HydrophobicContact CG-CH2 4.45Å; L49-W76 HydrophobicContact CG-CZ2 4.31Å; L49-L132 HydrophobicContact CB-CB 4.32Å; L49-L132 HydrophobicContact CD2-CB 4.19Å; L49-L132 HydrophobicContact CG-CB 4.2Å; L49-L132 WeakPolarHBondContact O-CB 3.4Å; L49-L132 PolarHBondContact O-N 3.11Å; L49-E133 HydrophobicContact CB-CB 3.68Å; L49-E133 HydrophobicContact CD2-CB 4.13Å; L49-E133 PolarHBondContact N-O 3.31Å; L49-E133 PolarHBondContact O-N 3.42Å
50	V	98.4	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.4	-174	-60.8	0	0	0	0	112.9	M48 P74 I75 W88 I129 D130 L131	M48-V50 HydrophobicContact CB-CG1 4.02Å; M48-V50 HydrophobicContact CE-CG1 4.22Å; V50-P74 WeakPolarHBondContact O-CA 3.3Å; V50-P74 VanDerWaalsContact O-CB 3.28Å; V50-P74 WeakPolarHBondContact O-CB 3.07Å; V50-I75 HydrophobicContact CG2-CG1 3.99Å; V50-I75 PolarHBondContact N-O 3.28Å; V50-I75 PolarHBondContact O-N 3.35Å; V50-W88 HydrophobicContact CG2-CH2 4.29Å; V50-W88 HydrophobicContact CG2-CZ3 4.07Å; V50-I129 HydrophobicContact CB-CG2 4.02Å; V50-I129 HydrophobicContact CG1-CG2 4.03Å; V50-D130 VanDerWaalsContact CA-O 3.25Å; V50-D130 WeakPolarHBondContact CA-O 3.48Å; V50-L131 HydrophobicContact CG1-CD1 3.98Å
51	H	98.6	Very high	95.7	Very high	26 Å²	26	44.1 Å²	44.1	12%	0.12	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.2	154.1	-87.8	-50.1	0	0	0	109	T66 H67 G72 Q73 I129 D130 L132	H51-T66 WeakPolarHBondContact CA-OG1 3.43Å; H51-T66 WeakPolarHBondContact ND1-CB 3.24Å; H51-T66 PolarHBondContact ND1-OG1 2.96Å; H51-H67 AromaticContact CD2-CE1 3.4Å; H51-H67 PolarHBondContact CD2-CE1 2.61Å; H51-H67 VanDerWaalsContact CD2-CE1 3.4Å; H51-H67 AromaticContact CE1-CE1 3.51Å; H51-H67 AromaticContact CE1-ND1 3.7Å; H51-H67 AromaticContact CG-CE1 3.41Å; H51-H67 VanDerWaalsContact CG-CE1 3.41Å; H51-H67 AromaticContact CG-NE2 3.65Å; H51-H67 AromaticContact ND1-CE1 3.49Å; H51-H67 PolarHBondContact ND1-CE1 2.97Å; H51-H67 AromaticContact ND1-ND1 3.89Å; H51-H67 AromaticContact ND1-NE2 3.88Å; H51-H67 AromaticContact NE2-CE1 3.47Å; H51-H67 PolarHBondContact NE2-CE1 3Å; H51-H67 AromaticContact NE2-ND1 3.95Å; H51-G72 PolarHBondContact CE1-O 2.99Å; H51-Q73 VanDerWaalsContact CE1-C 3.49Å; H51-I129 WeakPolarHBondContact O-CA 3.3Å; H51-D130 HydrophobicContact CB-CB 4.25Å; H51-D130 PolarHBondContact N-O 3.15Å; H51-D130 PolarHBondContact O-N 2.96Å; H51-L132 HydrophobicContact CB-CD1 4.12Å
52	Y	98.5	Very high	95.8	Very high	33 Å²	33	40.3 Å²	40.3	13%	0.129	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.2	173.6	74.8	-87.9	0	0	0	113.4	H64 S65 T66 I75 W88 F127 N128	Y52-H64 HydrophobicContact CE2-CB 4.41Å; Y52-H64 AromaticContact CE2-ND1 3.46Å; Y52-H64 WeakPolarHBondContact CE2-ND1 3.48Å; Y52-H64 AromaticContact CZ-CE1 3.87Å; Y52-H64 AromaticContact CZ-ND1 3.31Å; Y52-H64 VanDerWaalsContact CZ-ND1 3.31Å; Y52-H64 PolarHBondContact OH-CE1 3.31Å; Y52-H64 PolarHBondContact OH-ND1 3.03Å; Y52-S65 VanDerWaalsContact O-CA 3.29Å; Y52-S65 WeakPolarHBondContact O-CA 3.28Å; Y52-T66 HydrophobicContact CD1-CG2 3.55Å; Y52-T66 HydrophobicContact CE1-CG2 3.53Å; Y52-T66 HydrophobicContact CG-CG2 4.45Å; Y52-T66 PolarHBondContact N-OG1 3.47Å; Y52-T66 PolarHBondContact O-N 3.09Å; Y52-T66 PolarHBondContact O-OG1 3.28Å; Y52-I75 HydrophobicContact CD1-CD1 4.22Å; Y52-I75 HydrophobicContact CD1-CG1 4.3Å; Y52-I75 HydrophobicContact CE1-CD1 3.54Å; Y52-I75 HydrophobicContact CE1-CG1 3.96Å; Y52-W88 AromaticContact CD1-CH2 3.65Å; Y52-W88 HydrophobicContact CD1-CH2 3.65Å; Y52-W88 HydrophobicContact CD1-CZ2 4.2Å; Y52-W88 HydrophobicContact CD2-CH2 4.41Å; Y52-W88 HydrophobicContact CD2-CZ2 4.13Å; Y52-W88 HydrophobicContact CE1-CH2 4.02Å; Y52-W88 HydrophobicContact CE2-CZ2 4.48Å; Y52-W88 AromaticContact CG-CH2 3.85Å; Y52-W88 HydrophobicContact CG-CH2 3.85Å; Y52-W88 AromaticContact CG-CZ2 3.96Å; Y52-W88 HydrophobicContact CG-CZ2 3.96Å; Y52-F127 AromaticContact CD2-CD1 3.78Å; Y52-F127 HydrophobicContact CD2-CD1 3.78Å; Y52-F127 AromaticContact CD2-CE1 3.79Å; Y52-F127 HydrophobicContact CD2-CE1 3.79Å; Y52-F127 HydrophobicContact CE2-CD1 4.37Å; Y52-F127 AromaticContact CE2-CE1 3.9Å; Y52-F127 HydrophobicContact CE2-CE1 3.9Å; Y52-N128 CarbonylContact C-O 3.55Å; Y52-N128 WeakPolarHBondContact CA-O 3.45Å; Y52-N128 WeakPolarHBondContact CB-O 3.41Å
53	E	98.7	Very high	95.9	Very high	54 Å²	54	40.8 Å²	40.8	25%	0.252	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.4	169.9	-54	-171	127	0	0	108.5	Y55 L62 F127 N128	E53-Y55 HydrophobicContact CB-CE2 3.5Å; E53-Y55 VanDerWaalsContact CB-CE2 3.5Å; E53-Y55 WeakPolarHBondContact CB-OH 3.1Å; E53-Y55 PolarHBondContact OE2-OH 3.09Å; E53-L62 HydrophobicContact CB-CD1 4.08Å; E53-F127 CarbonylContact O-C 3.58Å; E53-F127 VanDerWaalsContact O-CA 3.3Å; E53-F127 WeakPolarHBondContact O-CA 3.41Å; E53-N128 PolarHBondContact N-O 2.69Å; E53-N128 PolarHBondContact O-N 2.7Å
54	G	98.4	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.6	-177.5	0	0	0	0	0	111.6	L62 F63 H64 I126	G54-L62 WeakPolarHBondContact O-CD1 3.32Å; G54-F63 VanDerWaalsContact C-CD1 3.42Å; G54-F63 VanDerWaalsContact CA-CZ 3.47Å; G54-F63 VanDerWaalsContact O-CD1 3.27Å; G54-F63 WeakPolarHBondContact O-CD1 3.49Å; G54-F63 PolarHBondContact O-N 2.8Å; G54-H64 PolarHBondContact N-O 2.88Å; G54-H64 PolarHBondContact O-N 2.93Å; G54-I126 CarbonylContact C-O 3.57Å; G54-I126 WeakPolarHBondContact CA-O 3.34Å
55	Y	98.7	Very high	96.7	Very high	51 Å²	51	37.4 Å²	37.4	20%	0.2	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.2	-175.5	-52.2	-95.9	0	0	0	112	E53 G60 S61 L62 F63 I126	E53-Y55 HydrophobicContact CB-CE2 3.5Å; E53-Y55 VanDerWaalsContact CB-CE2 3.5Å; E53-Y55 WeakPolarHBondContact CB-OH 3.1Å; E53-Y55 PolarHBondContact OE2-OH 3.09Å; Y55-G60 WeakPolarHBondContact CD1-O 3.49Å; Y55-S61 CarbonylContact C-O 3.56Å; Y55-S61 WeakPolarHBondContact CA-O 3.15Å; Y55-L62 HydrophobicContact CD1-CB 3.95Å; Y55-L62 HydrophobicContact CD1-CD1 3.89Å; Y55-L62 HydrophobicContact CE1-CB 3.87Å; Y55-L62 HydrophobicContact CE1-CD1 3.43Å; Y55-L62 VanDerWaalsContact CE1-CD1 3.43Å; Y55-L62 HydrophobicContact CE1-CG 4.25Å; Y55-L62 HydrophobicContact CE2-CD1 4.17Å; Y55-L62 HydrophobicContact CG-CD1 4.43Å; Y55-F63 VanDerWaalsContact C-CE1 3.48Å; Y55-F63 WeakPolarHBondContact O-CE1 3.29Å; Y55-I126 PolarHBondContact N-O 3.09Å; Y55-I126 PolarHBondContact O-N 3.46Å
56	L	98.6	Very high	97.3	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.2	166.9	-58	-178.5	0	0	0	109	K58 G60 S61 F63 I119 P120 L125	L56-K58 VanDerWaalsContact C-N 3.25Å; L56-K58 HydrophobicContact CB-CG 4.24Å; L56-K58 PolarHBondContact O-N 3.36Å; L56-G60 VanDerWaalsContact O-CA 3.24Å; L56-G60 WeakPolarHBondContact O-CA 3.44Å; L56-G60 PolarHBondContact O-N 3.15Å; L56-S61 PolarHBondContact N-O 3.31Å; L56-F63 HydrophobicContact CD2-CD1 3.91Å; L56-F63 HydrophobicContact CD2-CE1 4.42Å; L56-F63 HydrophobicContact CG-CD1 4.19Å; L56-I119 HydrophobicContact CD2-CB 4.45Å; L56-I119 HydrophobicContact CD2-CG1 4.34Å; L56-I119 HydrophobicContact CD2-CG2 4.03Å; L56-P120 HydrophobicContact CD1-CG 4.4Å; L56-L125 HydrophobicContact CD2-CD2 3.89Å
57	E	98.3	Very high	97.6	Very high	96 Å²	96	41.5 Å²	41.5	45%	0.449	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-37.6	179.6	-178.4	-177.1	-115.1	0	0	111.9	D59 T124 I126	E57-D59 VanDerWaalsContact C-N 3.27Å; E57-D59 PolarHBondContact O-N 2.78Å; E57-T124 HydrophobicContact CB-CG2 4.01Å; E57-T124 WeakPolarHBondContact CB-O 3.45Å; E57-T124 HydrophobicContact CG-CG2 4.41Å; E57-T124 PolarHBondContact N-O 2.63Å; E57-T124 VanDerWaalsContact OE2-CB 3.31Å; E57-T124 WeakPolarHBondContact OE2-CB 3.18Å; E57-T124 WeakPolarHBondContact OE2-CG2 3.45Å; E57-I126 HydrophobicContact CB-CD1 4.11Å; E57-I126 HydrophobicContact CB-CG1 4.17Å; E57-I126 HydrophobicContact CG-CD1 4.09Å
58	K	97.1	Very high	97.7	Very high	141 Å²	141	47 Å²	47	61%	0.613	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.4	-172.4	73.8	-178.6	-172.5	173.3	0	114.5	L56	L56-K58 VanDerWaalsContact C-N 3.25Å; L56-K58 HydrophobicContact CB-CG 4.24Å; L56-K58 PolarHBondContact O-N 3.36Å
59	D	96.7	Very high	97.7	Very high	95 Å²	95	50.7 Å²	50.7	51%	0.508	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-2	-171.8	59.5	17.4	0	0	0	113.4	E57 S61	E57-D59 VanDerWaalsContact C-N 3.27Å; E57-D59 PolarHBondContact O-N 2.78Å; D59-S61 PolarHBondContact O-N 2.87Å; D59-S61 WeakPolarHBondContact OD1-CB 3.48Å; D59-S61 PolarHBondContact OD1-N 2.79Å; D59-S61 PolarHBondContact OD1-OG 2.89Å; D59-S61 PolarHBondContact OD2-OG 2.94Å
60	G	97.7	Very high	97.4	Very high	47 Å²	47	52.2 Å²	52.2	49%	0.485	26%	0.26	S	S	.	.			trans	69.2	11.2	-177.6	0	0	0	0	0	114	Y55 L56 L62	Y55-G60 WeakPolarHBondContact CD1-O 3.49Å; L56-G60 VanDerWaalsContact O-CA 3.24Å; L56-G60 WeakPolarHBondContact O-CA 3.44Å; L56-G60 PolarHBondContact O-N 3.15Å; G60-L62 PolarHBondContact O-N 2.9Å
61	S	97.8	Very high	97.2	Very high	46 Å²	46	59.3 Å²	59.3	32%	0.322	30%	0.298	S	S	.	.			trans	-69.4	131.8	-178.3	62.4	0	0	0	0	111.3	Y55 L56 D59 F63	Y55-S61 CarbonylContact C-O 3.56Å; Y55-S61 WeakPolarHBondContact CA-O 3.15Å; L56-S61 PolarHBondContact N-O 3.31Å; D59-S61 PolarHBondContact O-N 2.87Å; D59-S61 WeakPolarHBondContact OD1-CB 3.48Å; D59-S61 PolarHBondContact OD1-N 2.79Å; D59-S61 PolarHBondContact OD1-OG 2.89Å; D59-S61 PolarHBondContact OD2-OG 2.94Å; S61-F63 PolarHBondContact O-N 2.87Å
62	L	98.3	Very high	96.9	Very high	50 Å²	50	59.6 Å²	59.6	26%	0.262	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.3	174.7	-178.5	77.4	0	0	0	109.6	E53 G54 Y55 G60 H64 K68	E53-L62 HydrophobicContact CB-CD1 4.08Å; G54-L62 WeakPolarHBondContact O-CD1 3.32Å; Y55-L62 HydrophobicContact CD1-CB 3.95Å; Y55-L62 HydrophobicContact CD1-CD1 3.89Å; Y55-L62 HydrophobicContact CE1-CB 3.87Å; Y55-L62 HydrophobicContact CE1-CD1 3.43Å; Y55-L62 VanDerWaalsContact CE1-CD1 3.43Å; Y55-L62 HydrophobicContact CE1-CG 4.25Å; Y55-L62 HydrophobicContact CE2-CD1 4.17Å; Y55-L62 HydrophobicContact CG-CD1 4.43Å; G60-L62 PolarHBondContact O-N 2.9Å; L62-H64 WeakPolarHBondContact CD1-O 3.44Å; L62-K68 HydrophobicContact CD2-CD 3.85Å
63	F	97.7	Very high	96.7	Very high	17 Å²	17	63.8 Å²	63.8	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-33.7	174.6	63.7	-104	0	0	0	112.3	G54 Y55 L56 S61 K118 I119 L125 F127	G54-F63 VanDerWaalsContact C-CD1 3.42Å; G54-F63 VanDerWaalsContact CA-CZ 3.47Å; G54-F63 VanDerWaalsContact O-CD1 3.27Å; G54-F63 WeakPolarHBondContact O-CD1 3.49Å; G54-F63 PolarHBondContact O-N 2.8Å; Y55-F63 VanDerWaalsContact C-CE1 3.48Å; Y55-F63 WeakPolarHBondContact O-CE1 3.29Å; L56-F63 HydrophobicContact CD2-CD1 3.91Å; L56-F63 HydrophobicContact CD2-CE1 4.42Å; L56-F63 HydrophobicContact CG-CD1 4.19Å; S61-F63 PolarHBondContact O-N 2.87Å; F63-K118 HydrophobicContact CB-CB 4.19Å; F63-I119 HydrophobicContact CB-CG1 4.19Å; F63-I119 HydrophobicContact CD1-CD1 4.39Å; F63-I119 HydrophobicContact CD1-CG1 4.16Å; F63-I119 HydrophobicContact CD2-CD1 3.72Å; F63-I119 HydrophobicContact CD2-CG1 3.97Å; F63-I119 HydrophobicContact CE1-CD1 4.35Å; F63-I119 HydrophobicContact CE2-CD1 3.72Å; F63-I119 HydrophobicContact CE2-CG1 4.41Å; F63-I119 HydrophobicContact CG-CD1 4.09Å; F63-I119 HydrophobicContact CG-CG1 3.87Å; F63-I119 HydrophobicContact CZ-CD1 4.04Å; F63-L125 HydrophobicContact CE1-CD2 3.96Å; F63-L125 HydrophobicContact CZ-CD2 4.44Å; F63-F127 HydrophobicContact CE2-CE1 4.31Å; F63-F127 HydrophobicContact CE2-CZ 4.11Å; F63-F127 AromaticContact CZ-CE1 3.97Å; F63-F127 HydrophobicContact CZ-CE1 3.97Å; F63-F127 HydrophobicContact CZ-CE2 4.08Å; F63-F127 AromaticContact CZ-CZ 3.56Å; F63-F127 HydrophobicContact CZ-CZ 3.56Å
64	H	97.6	Very high	96.6	Very high	58 Å²	58	62.7 Å²	62.7	27%	0.269	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	150.2	178.6	-165.4	-91.7	0	0	0	112.2	Y52 G54 L62 H69	Y52-H64 HydrophobicContact CE2-CB 4.41Å; Y52-H64 AromaticContact CE2-ND1 3.46Å; Y52-H64 WeakPolarHBondContact CE2-ND1 3.48Å; Y52-H64 AromaticContact CZ-CE1 3.87Å; Y52-H64 AromaticContact CZ-ND1 3.31Å; Y52-H64 VanDerWaalsContact CZ-ND1 3.31Å; Y52-H64 PolarHBondContact OH-CE1 3.31Å; Y52-H64 PolarHBondContact OH-ND1 3.03Å; G54-H64 PolarHBondContact N-O 2.88Å; G54-H64 PolarHBondContact O-N 2.93Å; L62-H64 WeakPolarHBondContact CD1-O 3.44Å; H64-H69 AromaticContact CD2-CG 3.97Å; H64-H69 WeakPolarHBondContact NE2-CB 3.44Å
65	S	97.8	Very high	96.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	134.3	175	157.2	0	0	0	0	108.6	Y52 H67 K68 H69	Y52-S65 VanDerWaalsContact O-CA 3.29Å; Y52-S65 WeakPolarHBondContact O-CA 3.28Å; S65-H67 PolarHBondContact O-N 2.96Å; S65-H67 PolarHBondContact OG-N 2.81Å; S65-K68 PolarHBondContact O-N 3.32Å; S65-H69 PolarHBondContact N-ND1 2.86Å; S65-H69 VanDerWaalsContact O-CB 3.31Å; S65-H69 WeakPolarHBondContact O-CB 3.42Å; S65-H69 PolarHBondContact O-N 2.79Å; S65-H69 PolarHBondContact O-ND1 2.93Å
66	T	96.5	Very high	96.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-35.1	174.8	42.9	0	0	0	0	112	H51 Y52 K68 N70 G72 Q73 I75	H51-T66 WeakPolarHBondContact CA-OG1 3.43Å; H51-T66 WeakPolarHBondContact ND1-CB 3.24Å; H51-T66 PolarHBondContact ND1-OG1 2.96Å; Y52-T66 HydrophobicContact CD1-CG2 3.55Å; Y52-T66 HydrophobicContact CE1-CG2 3.53Å; Y52-T66 HydrophobicContact CG-CG2 4.45Å; Y52-T66 PolarHBondContact N-OG1 3.47Å; Y52-T66 PolarHBondContact O-N 3.09Å; Y52-T66 PolarHBondContact O-OG1 3.28Å; T66-K68 PolarHBondContact O-N 2.91Å; T66-N70 CarbonylContact O-C 3.55Å; T66-N70 WeakPolarHBondContact O-CA 3.44Å; T66-N70 WeakPolarHBondContact O-CB 3.3Å; T66-N70 PolarHBondContact O-N 2.8Å; T66-N70 VanDerWaalsContact O-N 3.16Å; T66-G72 PolarHBondContact O-N 2.86Å; T66-Q73 WeakPolarHBondContact CB-O 3.21Å; T66-I75 HydrophobicContact CG2-CG1 4.26Å; T66-I75 HydrophobicContact CG2-CG2 4.13Å
67	H	95.8	Very high	95.9	Very high	88 Å²	88	67.4 Å²	67.4	41%	0.407	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-39.6	-179.5	-62.2	-63.3	0	0	0	112.4	H51 S65 G72	H51-H67 AromaticContact CD2-CE1 3.4Å; H51-H67 PolarHBondContact CD2-CE1 2.61Å; H51-H67 VanDerWaalsContact CD2-CE1 3.4Å; H51-H67 AromaticContact CE1-CE1 3.51Å; H51-H67 AromaticContact CE1-ND1 3.7Å; H51-H67 AromaticContact CG-CE1 3.41Å; H51-H67 VanDerWaalsContact CG-CE1 3.41Å; H51-H67 AromaticContact CG-NE2 3.65Å; H51-H67 AromaticContact ND1-CE1 3.49Å; H51-H67 PolarHBondContact ND1-CE1 2.97Å; H51-H67 AromaticContact ND1-ND1 3.89Å; H51-H67 AromaticContact ND1-NE2 3.88Å; H51-H67 AromaticContact NE2-CE1 3.47Å; H51-H67 PolarHBondContact NE2-CE1 3Å; H51-H67 AromaticContact NE2-ND1 3.95Å; S65-H67 PolarHBondContact O-N 2.96Å; S65-H67 PolarHBondContact OG-N 2.81Å; H67-G72 PolarHBondContact O-N 3.04Å
68	K	95.8	Very high	95.6	Very high	156 Å²	156	63.2 Å²	63.2	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-94	-34.9	-176	-66.2	-171.6	-179.4	-179.7	0	114.2	L62 S65 T66	L62-K68 HydrophobicContact CD2-CD 3.85Å; S65-K68 PolarHBondContact O-N 3.32Å; T66-K68 PolarHBondContact O-N 2.91Å
69	H	96.6	Very high	95.4	Very high	77 Å²	77	56.5 Å²	56.5	36%	0.356	30%	0.299	S	S	.	.	H	α-helix	trans	-109.2	-8	-168.4	-56.3	89.5	0	0	0	113.4	H64 S65	H64-H69 AromaticContact CD2-CG 3.97Å; H64-H69 WeakPolarHBondContact NE2-CB 3.44Å; S65-H69 PolarHBondContact N-ND1 2.86Å; S65-H69 VanDerWaalsContact O-CB 3.31Å; S65-H69 WeakPolarHBondContact O-CB 3.42Å; S65-H69 PolarHBondContact O-N 2.79Å; S65-H69 PolarHBondContact O-ND1 2.93Å
70	N	92.3	Very high	94.9	Very high	55 Å²	55	53 Å²	53	29%	0.294	28%	0.284	S	S	.	.	S	Bend	trans	-124.8	36.2	178.8	-162.7	43.2	0	0	0	111.9	T66 G72 Q73 I75	T66-N70 CarbonylContact O-C 3.55Å; T66-N70 WeakPolarHBondContact O-CA 3.44Å; T66-N70 WeakPolarHBondContact O-CB 3.3Å; T66-N70 PolarHBondContact O-N 2.8Å; T66-N70 VanDerWaalsContact O-N 3.16Å; N70-G72 PolarHBondContact O-N 3.26Å; N70-Q73 PolarHBondContact ND2-O 2.79Å; N70-Q73 WeakPolarHBondContact O-CB 3.27Å; N70-Q73 PolarHBondContact O-N 3.03Å; N70-I75 WeakPolarHBondContact ND2-CG2 3.17Å
71	N	93.8	Very high	94.1	Very high	150 Å²	150	51.8 Å²	51.8	80%	0.802	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	32	178.5	-60.3	78.3	0	0	0	114.2	Q73	N71-Q73 PolarHBondContact O-N 3.06Å
72	G	92	Very high	93.6	Very high	32 Å²	32	52.1 Å²	52.1	33%	0.33	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	0.1	-176.9	0	0	0	0	0	114.8	H51 T66 H67 N70	H51-G72 PolarHBondContact CE1-O 2.99Å; T66-G72 PolarHBondContact O-N 2.86Å; H67-G72 PolarHBondContact O-N 3.04Å; N70-G72 PolarHBondContact O-N 3.26Å
73	Q	95.6	Very high	92.9	Very high	120 Å²	120	54.9 Å²	54.9	56%	0.561	28%	0.276	S	S	*	.			trans	-89.6	137.6	-175	-58.5	-57.5	-40.9	0	0	111.9	H51 T66 N70 N71	H51-Q73 VanDerWaalsContact CE1-C 3.49Å; T66-Q73 WeakPolarHBondContact CB-O 3.21Å; N70-Q73 PolarHBondContact ND2-O 2.79Å; N70-Q73 WeakPolarHBondContact O-CB 3.27Å; N70-Q73 PolarHBondContact O-N 3.03Å; N71-Q73 PolarHBondContact O-N 3.06Å
74	P	96.2	Very high	92.6	Very high	31 Å²	31	56.7 Å²	56.7	20%	0.201	29%	0.294	C	S	.	.			trans	-68.8	167.9	170.4	30.4	-34.6	0	0	0	110.9	L49 V50 L132	L49-P74 HydrophobicContact CD1-CB 3.77Å; L49-P74 HydrophobicContact CD1-CG 3.72Å; L49-P74 HydrophobicContact CD2-CG 4.11Å; L49-P74 HydrophobicContact CG-CB 3.94Å; L49-P74 HydrophobicContact CG-CG 3.92Å; V50-P74 WeakPolarHBondContact O-CA 3.3Å; V50-P74 VanDerWaalsContact O-CB 3.28Å; V50-P74 WeakPolarHBondContact O-CB 3.07Å; P74-L132 HydrophobicContact CB-CD2 4.1Å; P74-L132 HydrophobicContact CG-CD2 4.12Å
75	I	95.3	Very high	92.4	Very high	52 Å²	52	54.3 Å²	54.3	27%	0.267	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.2	177	61.9	156.2	0	0	0	111.1	L49 V50 Y52 T66 N70	L49-I75 WeakPolarHBondContact CA-O 3.48Å; V50-I75 HydrophobicContact CG2-CG1 3.99Å; V50-I75 PolarHBondContact N-O 3.28Å; V50-I75 PolarHBondContact O-N 3.35Å; Y52-I75 HydrophobicContact CD1-CD1 4.22Å; Y52-I75 HydrophobicContact CD1-CG1 4.3Å; Y52-I75 HydrophobicContact CE1-CD1 3.54Å; Y52-I75 HydrophobicContact CE1-CG1 3.96Å; T66-I75 HydrophobicContact CG2-CG1 4.26Å; T66-I75 HydrophobicContact CG2-CG2 4.13Å; N70-I75 WeakPolarHBondContact ND2-CG2 3.17Å
76	W	94.1	Very high	92.2	Very high	98 Å²	98	58 Å²	58	37%	0.371	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	141.1	167.3	-71.2	104.9	0	0	0	110.2	L47 M48 L49 E133 R135	L47-W76 HydrophobicContact CB-CE3 3.88Å; L47-W76 HydrophobicContact CB-CZ3 4.07Å; L47-W76 HydrophobicContact CD2-CB 4.42Å; M48-W76 CarbonylContact O-C 3.58Å; M48-W76 WeakPolarHBondContact O-CA 3.28Å; L49-W76 HydrophobicContact CB-CD2 4.25Å; L49-W76 HydrophobicContact CB-CE3 3.91Å; L49-W76 HydrophobicContact CB-CH2 3.68Å; L49-W76 HydrophobicContact CB-CZ2 4.02Å; L49-W76 HydrophobicContact CB-CZ3 3.63Å; L49-W76 HydrophobicContact CD1-CD2 3.91Å; L49-W76 HydrophobicContact CD1-CE3 4.42Å; L49-W76 HydrophobicContact CD1-CG 4.22Å; L49-W76 HydrophobicContact CD1-CZ2 4.03Å; L49-W76 HydrophobicContact CD2-CH2 4.45Å; L49-W76 HydrophobicContact CD2-CZ2 4.2Å; L49-W76 HydrophobicContact CG-CH2 4.45Å; L49-W76 HydrophobicContact CG-CZ2 4.31Å; W76-E133 HydrophobicContact CH2-CB 4.13Å; W76-E133 HydrophobicContact CH2-CG 4.24Å; W76-R135 HydrophobicContact CH2-CB 4.47Å; W76-R135 VanDerWaalsContact CH2-CD 3.49Å; W76-R135 HydrophobicContact CH2-CG 3.77Å; W76-R135 HydrophobicContact CZ3-CB 4.3Å; W76-R135 HydrophobicContact CZ3-CG 4.07Å
77	F	91.9	Very high	92.3	Very high	6 Å²	6	58 Å²	58	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.8	176.2	166.1	-106.3	0	0	0	109.2	M48 L79 E83 A84 W88 D89 L92	M48-F77 PolarHBondContact N-O 2.9Å; M48-F77 PolarHBondContact O-N 2.91Å; M48-F77 HydrophobicContact SD-CD1 4.26Å; F77-L79 HydrophobicContact CE1-CB 4.25Å; F77-L79 HydrophobicContact CE1-CD1 4Å; F77-E83 HydrophobicContact CD2-CB 4.49Å; F77-E83 HydrophobicContact CE2-CB 4.23Å; F77-A84 HydrophobicContact CD2-CB 3.95Å; F77-A84 HydrophobicContact CE2-CB 3.6Å; F77-W88 HydrophobicContact CB-CZ3 4.36Å; F77-W88 AromaticContact CD1-CE3 3.98Å; F77-W88 HydrophobicContact CD1-CE3 3.98Å; F77-W88 HydrophobicContact CD1-CZ3 4.38Å; F77-W88 HydrophobicContact CD2-CE3 4.09Å; F77-W88 HydrophobicContact CD2-CZ3 4.46Å; F77-W88 HydrophobicContact CE1-CB 4.44Å; F77-W88 HydrophobicContact CE1-CE3 4.08Å; F77-W88 HydrophobicContact CE2-CE3 4.21Å; F77-W88 AromaticContact CG-CE3 3.97Å; F77-W88 HydrophobicContact CG-CE3 3.97Å; F77-W88 HydrophobicContact CG-CZ3 4.13Å; F77-W88 HydrophobicContact CZ-CB 4.01Å; F77-W88 HydrophobicContact CZ-CE3 4.18Å; F77-D89 WeakPolarHBondContact CZ-OD1 3.45Å; F77-L92 HydrophobicContact CD1-CD1 4.11Å; F77-L92 HydrophobicContact CE1-CD1 3.86Å
78	T	91	Very high	92.4	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.9	178.3	-44.1	0	0	0	0	109.5	D46 L47 I81 E83	D46-T78 WeakPolarHBondContact O-CA 3.48Å; L47-T78 WeakPolarHBondContact CD2-OG1 3Å; T78-I81 HydrophobicContact CG2-CD1 3.73Å; T78-I81 HydrophobicContact CG2-CG1 3.92Å; T78-E83 WeakPolarHBondContact CA-OE2 3.17Å; T78-E83 WeakPolarHBondContact CB-OE2 3.25Å; T78-E83 PolarHBondContact N-OE2 3.41Å; T78-E83 PolarHBondContact OG1-OE2 3.21Å
79	L	92.1	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	136.2	-174.6	-179.9	61.8	0	0	0	112.4	G44 G45 D46 M48 F77 L92 K93	G44-L79 CarbonylContact C-O 3.58Å; G44-L79 WeakPolarHBondContact CA-O 3.36Å; G45-L79 PolarHBondContact N-O 2.86Å; D46-L79 PolarHBondContact O-N 2.71Å; M48-L79 HydrophobicContact SD-CB 3.91Å; M48-L79 HydrophobicContact SD-CD1 4.46Å; M48-L79 HydrophobicContact SD-CD2 4.03Å; M48-L79 HydrophobicContact SD-CG 4.36Å; F77-L79 HydrophobicContact CE1-CB 4.25Å; F77-L79 HydrophobicContact CE1-CD1 4Å; L79-L92 HydrophobicContact CD1-CB 3.95Å; L79-K93 HydrophobicContact CD1-CG 4.5Å; L79-K93 HydrophobicContact CD2-CG 4.16Å
80	G	86.1	Confident	92.2	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	14.9	164.2	0	0	0	0	0	115	D89	G80-D89 VanDerWaalsContact C-OD2 3.25Å; G80-D89 VanDerWaalsContact CA-CG 3.47Å; G80-D89 VanDerWaalsContact CA-OD2 3.26Å; G80-D89 WeakPolarHBondContact CA-OD2 3.48Å; G80-D89 VanDerWaalsContact N-CG 3.33Å; G80-D89 PolarHBondContact N-OD1 3.49Å
81	I	82.6	Confident	92.4	Very high	22 Å²	22	45 Å²	45	11%	0.113	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	14.3	-178.3	64	150.8	0	0	0	113.3	T78 E83 D89	T78-I81 HydrophobicContact CG2-CD1 3.73Å; T78-I81 HydrophobicContact CG2-CG1 3.92Å; I81-E83 HydrophobicContact CD1-CB 3.94Å; I81-E83 HydrophobicContact CG1-CB 3.96Å; I81-E83 PolarHBondContact O-N 3.47Å; I81-D89 PolarHBondContact N-OD2 2.98Å
82	L	86.3	Confident	92.6	Very high	53 Å²	53	37.8 Å²	37.8	28%	0.277	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	29.4	-177.5	-59.4	176.8	0	0	0	114.3	A84 K86 D89 D209	L82-A84 PolarHBondContact O-N 2.84Å; L82-K86 HydrophobicContact CD2-CB 4.39Å; L82-K86 HydrophobicContact CD2-CG 3.71Å; L82-D89 WeakPolarHBondContact CA-OD2 3.14Å; L82-D89 PolarHBondContact N-OD2 3.1Å; L82-D209 HydrophobicContact CD1-CB 3.99Å
83	E	83.6	Confident	92.8	Very high	109 Å²	109	41.9 Å²	41.9	51%	0.509	21%	0.21	S	C	.	.	S	Bend	trans	-62.8	-30.2	178.9	-177.4	176.5	-155.4	0	0	112.6	F77 T78 I81	F77-E83 HydrophobicContact CD2-CB 4.49Å; F77-E83 HydrophobicContact CE2-CB 4.23Å; T78-E83 WeakPolarHBondContact CA-OE2 3.17Å; T78-E83 WeakPolarHBondContact CB-OE2 3.25Å; T78-E83 PolarHBondContact N-OE2 3.41Å; T78-E83 PolarHBondContact OG1-OE2 3.21Å; I81-E83 HydrophobicContact CD1-CB 3.94Å; I81-E83 HydrophobicContact CG1-CB 3.96Å; I81-E83 PolarHBondContact O-N 3.47Å
84	A	91	Very high	92.9	Very high	54 Å²	54	37.5 Å²	37.5	45%	0.446	20%	0.197	S	C	.	.	S	Bend	trans	-125	-105.3	-178.6	0	0	0	0	0	112.3	F77 L82	F77-A84 HydrophobicContact CD2-CB 3.95Å; F77-A84 HydrophobicContact CE2-CB 3.6Å; L82-A84 PolarHBondContact O-N 2.84Å
85	L	94.1	Very high	93	Very high	9 Å²	9	36 Å²	36	5%	0.047	19%	0.187	C	C	.	.			trans	-106	140	-179.3	-63.5	-179.8	0	0	0	109.9	G87 W88 D89 Y111 L125 F127	L85-G87 PolarHBondContact O-N 3.33Å; L85-G87 VanDerWaalsContact O-N 3.11Å; L85-W88 HydrophobicContact CB-CB 4.36Å; L85-W88 HydrophobicContact CB-CG 4.27Å; L85-W88 WeakPolarHBondContact O-CB 3.44Å; L85-W88 PolarHBondContact O-N 3.17Å; L85-D89 PolarHBondContact O-N 3.31Å; L85-Y111 HydrophobicContact CD1-CE2 4.17Å; L85-Y111 HydrophobicContact CD2-CD1 4.21Å; L85-Y111 HydrophobicContact CD2-CD2 4.3Å; L85-Y111 HydrophobicContact CD2-CE1 3.81Å; L85-Y111 HydrophobicContact CD2-CE2 3.91Å; L85-Y111 HydrophobicContact CD2-CG 4.45Å; L85-L125 HydrophobicContact CD1-CD1 4.04Å; L85-F127 HydrophobicContact CD1-CE2 3.75Å; L85-F127 HydrophobicContact CD1-CZ 3.8Å
86	K	94	Very high	93.2	Very high	78 Å²	78	33.8 Å²	33.8	34%	0.339	18%	0.176	S	C	.	.	H	α-helix	trans	-51.2	-37.6	170.5	-68	-177.9	178.5	-173	0	111.1	L82 W88 D89 Q90 L109	L82-K86 HydrophobicContact CD2-CB 4.39Å; L82-K86 HydrophobicContact CD2-CG 3.71Å; K86-W88 PolarHBondContact O-N 3.49Å; K86-D89 PolarHBondContact O-N 3.4Å; K86-Q90 PolarHBondContact O-N 3.33Å; K86-Q90 VanDerWaalsContact O-N 3.1Å; K86-L109 HydrophobicContact CB-CB 4.37Å; K86-L109 HydrophobicContact CB-CD2 3.92Å
87	G	97.1	Very high	93.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.9	-27	177.1	0	0	0	0	0	115.2	L85 G91 L109	L85-G87 PolarHBondContact O-N 3.33Å; L85-G87 VanDerWaalsContact O-N 3.11Å; G87-G91 PolarHBondContact O-N 3.46Å; G87-L109 PolarHBondContact N-O 3.06Å
88	W	97.9	Very high	93.6	Very high	10 Å²	10	33.6 Å²	33.6	4%	0.038	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-44.6	172	-82.8	41.3	0	0	0	110.7	V50 Y52 F77 L85 K86 Q90 G91 L92 F127 I129	V50-W88 HydrophobicContact CG2-CH2 4.29Å; V50-W88 HydrophobicContact CG2-CZ3 4.07Å; Y52-W88 AromaticContact CD1-CH2 3.65Å; Y52-W88 HydrophobicContact CD1-CH2 3.65Å; Y52-W88 HydrophobicContact CD1-CZ2 4.2Å; Y52-W88 HydrophobicContact CD2-CH2 4.41Å; Y52-W88 HydrophobicContact CD2-CZ2 4.13Å; Y52-W88 HydrophobicContact CE1-CH2 4.02Å; Y52-W88 HydrophobicContact CE2-CZ2 4.48Å; Y52-W88 AromaticContact CG-CH2 3.85Å; Y52-W88 HydrophobicContact CG-CH2 3.85Å; Y52-W88 AromaticContact CG-CZ2 3.96Å; Y52-W88 HydrophobicContact CG-CZ2 3.96Å; F77-W88 HydrophobicContact CB-CZ3 4.36Å; F77-W88 AromaticContact CD1-CE3 3.98Å; F77-W88 HydrophobicContact CD1-CE3 3.98Å; F77-W88 HydrophobicContact CD1-CZ3 4.38Å; F77-W88 HydrophobicContact CD2-CE3 4.09Å; F77-W88 HydrophobicContact CD2-CZ3 4.46Å; F77-W88 HydrophobicContact CE1-CB 4.44Å; F77-W88 HydrophobicContact CE1-CE3 4.08Å; F77-W88 HydrophobicContact CE2-CE3 4.21Å; F77-W88 AromaticContact CG-CE3 3.97Å; F77-W88 HydrophobicContact CG-CE3 3.97Å; F77-W88 HydrophobicContact CG-CZ3 4.13Å; F77-W88 HydrophobicContact CZ-CB 4.01Å; F77-W88 HydrophobicContact CZ-CE3 4.18Å; L85-W88 HydrophobicContact CB-CB 4.36Å; L85-W88 HydrophobicContact CB-CG 4.27Å; L85-W88 WeakPolarHBondContact O-CB 3.44Å; L85-W88 PolarHBondContact O-N 3.17Å; K86-W88 PolarHBondContact O-N 3.49Å; W88-Q90 VanDerWaalsContact C-N 3.28Å; W88-Q90 PolarHBondContact O-N 3.35Å; W88-G91 PolarHBondContact O-N 2.95Å; W88-G91 VanDerWaalsContact O-N 3.15Å; W88-L92 HydrophobicContact CB-CD1 4.08Å; W88-L92 HydrophobicContact CD2-CD1 3.94Å; W88-L92 HydrophobicContact CE3-CD1 3.59Å; W88-L92 HydrophobicContact CG-CD1 4.2Å; W88-L92 HydrophobicContact CZ3-CD1 4.28Å; W88-L92 VanDerWaalsContact O-CB 3.27Å; W88-L92 WeakPolarHBondContact O-CB 3.29Å; W88-L92 WeakPolarHBondContact O-CG 3.34Å; W88-L92 PolarHBondContact O-N 3.11Å; W88-F127 AromaticContact CE2-CE1 3.96Å; W88-F127 AromaticContact CZ2-CD1 3.68Å; W88-F127 HydrophobicContact CZ2-CD1 3.68Å; W88-F127 AromaticContact CZ2-CE1 3.67Å; W88-F127 HydrophobicContact CZ2-CE1 3.67Å; W88-F127 HydrophobicContact CZ2-CG 4.44Å; W88-F127 HydrophobicContact CZ2-CZ 4.42Å; W88-F127 AromaticContact NE1-CD1 3.69Å; W88-F127 AromaticContact NE1-CD2 3.72Å; W88-F127 AromaticContact NE1-CE1 3.64Å; W88-F127 AromaticContact NE1-CE2 3.66Å; W88-F127 AromaticContact NE1-CG 3.71Å; W88-F127 AromaticContact NE1-CZ 3.61Å; W88-I129 HydrophobicContact CD2-CD1 4.18Å; W88-I129 HydrophobicContact CH2-CD1 4.27Å; W88-I129 HydrophobicContact CZ2-CD1 3.79Å; W88-I129 HydrophobicContact CZ2-CG1 4.43Å
89	D	94.6	Very high	94	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-38.6	176.4	-87.1	6.2	0	0	0	112.6	F77 G80 I81 L82 L85 K86 K93	F77-D89 WeakPolarHBondContact CZ-OD1 3.45Å; G80-D89 VanDerWaalsContact C-OD2 3.25Å; G80-D89 VanDerWaalsContact CA-CG 3.47Å; G80-D89 VanDerWaalsContact CA-OD2 3.26Å; G80-D89 WeakPolarHBondContact CA-OD2 3.48Å; G80-D89 VanDerWaalsContact N-CG 3.33Å; G80-D89 PolarHBondContact N-OD1 3.49Å; I81-D89 PolarHBondContact N-OD2 2.98Å; L82-D89 WeakPolarHBondContact CA-OD2 3.14Å; L82-D89 PolarHBondContact N-OD2 3.1Å; L85-D89 PolarHBondContact O-N 3.31Å; K86-D89 PolarHBondContact O-N 3.4Å; D89-K93 WeakPolarHBondContact O-CD 3.43Å; D89-K93 WeakPolarHBondContact O-CE 3.37Å; D89-K93 WeakPolarHBondContact O-CG 3.45Å
90	Q	94.6	Very high	94.3	Very high	79 Å²	79	36.5 Å²	36.5	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-72.3	-44.3	173.3	-67	-174.9	10.7	0	0	112.2	V27 K86 W88	V27-Q90 HydrophobicContact CG2-CB 4.2Å; K86-Q90 PolarHBondContact O-N 3.33Å; K86-Q90 VanDerWaalsContact O-N 3.1Å; W88-Q90 VanDerWaalsContact C-N 3.28Å; W88-Q90 PolarHBondContact O-N 3.35Å
91	G	97.4	Very high	94.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-79.5	-21.2	-168.4	0	0	0	0	0	116.2	G87 W88 R101	G87-G91 PolarHBondContact O-N 3.46Å; W88-G91 PolarHBondContact O-N 2.95Å; W88-G91 VanDerWaalsContact O-N 3.15Å; G91-R101 PolarHBondContact O-NH1 3.44Å
92	L	98.1	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	2.5	-169.5	-65.7	179.6	0	0	0	114.9	T42 M48 F77 L79 W88 M95 L103 I129	T42-L92 PolarHBondContact OG1-O 2.89Å; M48-L92 HydrophobicContact CE-CB 4.01Å; M48-L92 HydrophobicContact CE-CD1 4.27Å; M48-L92 HydrophobicContact CE-CD2 4.46Å; M48-L92 HydrophobicContact CE-CG 4.49Å; M48-L92 HydrophobicContact SD-CB 4.2Å; F77-L92 HydrophobicContact CD1-CD1 4.11Å; F77-L92 HydrophobicContact CE1-CD1 3.86Å; L79-L92 HydrophobicContact CD1-CB 3.95Å; W88-L92 HydrophobicContact CB-CD1 4.08Å; W88-L92 HydrophobicContact CD2-CD1 3.94Å; W88-L92 HydrophobicContact CE3-CD1 3.59Å; W88-L92 HydrophobicContact CG-CD1 4.2Å; W88-L92 HydrophobicContact CZ3-CD1 4.28Å; W88-L92 VanDerWaalsContact O-CB 3.27Å; W88-L92 WeakPolarHBondContact O-CB 3.29Å; W88-L92 WeakPolarHBondContact O-CG 3.34Å; W88-L92 PolarHBondContact O-N 3.11Å; L92-M95 HydrophobicContact CD2-SD 3.83Å; L92-L103 HydrophobicContact CD2-CD1 4.21Å; L92-L103 HydrophobicContact CG-CD1 4.27Å; L92-I129 HydrophobicContact CD1-CD1 4.21Å; L92-I129 HydrophobicContact CD2-CB 4.38Å; L92-I129 HydrophobicContact CD2-CD1 3.86Å; L92-I129 HydrophobicContact CD2-CG2 4.08Å; L92-I129 HydrophobicContact CG-CD1 4.4Å
93	K	96.1	Very high	96.3	Very high	118 Å²	118	35.5 Å²	35.5	51%	0.513	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	142.4	174.1	-69.1	169.7	-179.8	171.7	0	111.9	L79 D89 M95 R101	L79-K93 HydrophobicContact CD1-CG 4.5Å; L79-K93 HydrophobicContact CD2-CG 4.16Å; D89-K93 WeakPolarHBondContact O-CD 3.43Å; D89-K93 WeakPolarHBondContact O-CE 3.37Å; D89-K93 WeakPolarHBondContact O-CG 3.45Å; K93-M95 VanDerWaalsContact C-N 3.31Å; K93-M95 PolarHBondContact O-N 2.96Å; K93-R101 PolarHBondContact O-NH1 3.2Å; K93-R101 PolarHBondContact O-NH2 3.16Å
94	G	97.1	Very high	97	Very high	28 Å²	28	31.7 Å²	31.7	29%	0.289	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	22.4	171.9	0	0	0	0	0	115.1	T42 R101	T42-G94 WeakPolarHBondContact O-CA 3.13Å; T42-G94 PolarHBondContact O-N 2.94Å; T42-G94 PolarHBondContact OG1-N 3.15Å; T42-G94 VanDerWaalsContact OG1-N 3.09Å; G94-R101 PolarHBondContact O-NH2 2.89Å
95	M	98.3	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-88.5	145.2	-178.1	-162.3	170.7	173.9	0	0	110.8	K41 T42 M48 L92 K93 E99 R101 L131	K41-M95 CarbonylContact C-O 3.57Å; K41-M95 VanDerWaalsContact CA-O 3.32Å; K41-M95 WeakPolarHBondContact CA-O 3.41Å; T42-M95 HydrophobicContact CG2-CB 4.27Å; T42-M95 WeakPolarHBondContact CG2-O 3.5Å; T42-M95 PolarHBondContact N-O 2.7Å; T42-M95 PolarHBondContact OG1-N 3.34Å; M48-M95 HydrophobicContact CE-SD 4.38Å; L92-M95 HydrophobicContact CD2-SD 3.83Å; K93-M95 VanDerWaalsContact C-N 3.31Å; K93-M95 PolarHBondContact O-N 2.96Å; M95-E99 VanDerWaalsContact CE-C 3.49Å; M95-E99 HydrophobicContact CE-CB 3.93Å; M95-E99 HydrophobicContact CE-CG 4.09Å; M95-E99 WeakPolarHBondContact CE-O 3.44Å; M95-E99 HydrophobicContact CG-CB 3.77Å; M95-E99 HydrophobicContact CG-CG 3.86Å; M95-R101 HydrophobicContact CE-CB 4.21Å; M95-R101 HydrophobicContact CE-CG 3.97Å; M95-R101 HydrophobicContact SD-CG 4.1Å; M95-L131 HydrophobicContact CB-CD2 3.86Å; M95-L131 HydrophobicContact CE-CB 3.64Å; M95-L131 HydrophobicContact CG-CB 4.26Å; M95-L131 HydrophobicContact CG-CD2 3.76Å; M95-L131 HydrophobicContact SD-CB 4.02Å; M95-L131 HydrophobicContact SD-CD2 4.26Å
96	C	98.4	Very high	97.5	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.034	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-102.8	151.1	178.5	-56.5	0	0	0	0	111.7	P35 C38 G98 E99 L131	P35-C96 HydrophobicContact CG-CB 3.71Å; C38-C96 HydrophobicContact CB-CB 3.73Å; C38-C96 WeakPolarHBondContact CB-SG 3.4Å; C38-C96 WeakPolarHBondContact SG-CB 3.41Å; C38-C96 CovalentContact SG-SG 2.02Å; C38-C96 PolarHBondContact SG-SG 3.24Å; C96-G98 PolarHBondContact O-N 2.87Å; C96-E99 HydrophobicContact CB-CB 4.41Å; C96-E99 PolarHBondContact N-OE2 3.35Å; C96-E99 WeakPolarHBondContact O-CB 3.12Å; C96-E99 PolarHBondContact O-N 2.94Å; C96-L131 WeakPolarHBondContact O-CD2 3.41Å
97	V	98.4	Very high	97.7	Very high	67 Å²	67	27.5 Å²	27.5	41%	0.406	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	131.5	170.7	173.9	0	0	0	0	110.4	P35 E99 L132 I134	P35-V97 WeakPolarHBondContact CB-O 3.24Å; P35-V97 VanDerWaalsContact CG-O 3.29Å; P35-V97 WeakPolarHBondContact CG-O 3.45Å; V97-E99 VanDerWaalsContact C-N 3.31Å; V97-L132 WeakPolarHBondContact CG1-O 3.45Å; V97-I134 HydrophobicContact CG2-CB 4.4Å; V97-I134 HydrophobicContact CG2-CD1 3.94Å; V97-I134 HydrophobicContact CG2-CG1 3.72Å
98	G	97.8	Very high	97.7	Very high	32 Å²	32	30.6 Å²	30.6	33%	0.33	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-1.3	-173.6	0	0	0	0	0	114.7	Q33 C96 L131	Q33-G98 PolarHBondContact NE2-O 3.11Å; C96-G98 PolarHBondContact O-N 2.87Å; G98-L131 PolarHBondContact N-O 2.71Å
99	E	98.7	Very high	97.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	18%	0.177	C	C	.	.			trans	-74.3	148.3	170.8	-170	171.6	148.9	0	0	110.4	V31 Q33 K34 M95 C96 V97 R101 L131	V31-E99 HydrophobicContact CG1-CG 3.8Å; Q33-E99 CarbonylContact O-C 3.57Å; Q33-E99 VanDerWaalsContact O-CA 3.28Å; Q33-E99 WeakPolarHBondContact O-CA 3.49Å; Q33-E99 WeakPolarHBondContact O-CG 3.39Å; K34-E99 HydrophobicContact CG-CG 4.09Å; M95-E99 VanDerWaalsContact CE-C 3.49Å; M95-E99 HydrophobicContact CE-CB 3.93Å; M95-E99 HydrophobicContact CE-CG 4.09Å; M95-E99 WeakPolarHBondContact CE-O 3.44Å; M95-E99 HydrophobicContact CG-CB 3.77Å; M95-E99 HydrophobicContact CG-CG 3.86Å; C96-E99 HydrophobicContact CB-CB 4.41Å; C96-E99 PolarHBondContact N-OE2 3.35Å; C96-E99 WeakPolarHBondContact O-CB 3.12Å; C96-E99 PolarHBondContact O-N 2.94Å; V97-E99 VanDerWaalsContact C-N 3.31Å; E99-R101 IonicContact OE1-CZ 3.35Å; E99-R101 VanDerWaalsContact OE1-CZ 3.22Å; E99-R101 IonicContact OE1-NE 3.26Å; E99-R101 PolarHBondContact OE1-NE 2.89Å; E99-R101 IonicContact OE1-NH2 3.92Å; E99-R101 PolarHBondContact OE1-NH2 3.48Å; E99-L131 PolarHBondContact O-N 2.92Å
100	K	98.7	Very high	97.7	Very high	68 Å²	68	31 Å²	31	30%	0.296	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133	173.2	-54.7	-171.1	174.7	-139	0	109.5	L32 Q33 I129 D130	L32-K100 HydrophobicContact CB-CB 4.15Å; L32-K100 PolarHBondContact N-O 2.73Å; Q33-K100 HydrophobicContact CB-CB 3.95Å; Q33-K100 HydrophobicContact CB-CD 4.15Å; Q33-K100 HydrophobicContact CB-CG 3.92Å; Q33-K100 PolarHBondContact N-O 2.82Å; Q33-K100 PolarHBondContact O-N 2.86Å; K100-I129 CarbonylContact C-O 3.57Å; K100-I129 VanDerWaalsContact CA-O 3.3Å; K100-I129 WeakPolarHBondContact CA-O 3.34Å; K100-D130 WeakPolarHBondContact CB-OD1 3.38Å; K100-D130 WeakPolarHBondContact CD-OD1 3.38Å; K100-D130 VanDerWaalsContact CE-OD2 3.28Å; K100-D130 WeakPolarHBondContact CE-OD2 3.36Å; K100-D130 HydrophobicContact CG-CB 4.43Å; K100-D130 WeakPolarHBondContact CG-OD1 3.4Å; K100-D130 IonicContact NZ-OD1 2.92Å; K100-D130 IonicContact NZ-OD2 2.71Å; K100-D130 PolarHBondContact NZ-OD2 3.27Å
101	R	98.7	Very high	97.8	Very high	19 Å²	19	30.8 Å²	30.8	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.1	178.6	-74.8	-176.1	-177.6	179.7	6.7	111.4	E30 V31 G91 K93 G94 M95 E99 L103 N128 I129	E30-R101 CarbonylContact O-C 3.48Å; E30-R101 VanDerWaalsContact O-CA 3.31Å; E30-R101 WeakPolarHBondContact O-CA 3.21Å; V31-R101 HydrophobicContact CG2-CG 4.24Å; G91-R101 PolarHBondContact O-NH1 3.44Å; K93-R101 PolarHBondContact O-NH1 3.2Å; K93-R101 PolarHBondContact O-NH2 3.16Å; G94-R101 PolarHBondContact O-NH2 2.89Å; M95-R101 HydrophobicContact CE-CB 4.21Å; M95-R101 HydrophobicContact CE-CG 3.97Å; M95-R101 HydrophobicContact SD-CG 4.1Å; E99-R101 IonicContact OE1-CZ 3.35Å; E99-R101 VanDerWaalsContact OE1-CZ 3.22Å; E99-R101 IonicContact OE1-NE 3.26Å; E99-R101 PolarHBondContact OE1-NE 2.89Å; E99-R101 IonicContact OE1-NH2 3.92Å; E99-R101 PolarHBondContact OE1-NH2 3.48Å; R101-L103 HydrophobicContact CB-CD2 4.4Å; R101-N128 CarbonylContact O-C 3.53Å; R101-N128 WeakPolarHBondContact O-CA 3.26Å; R101-I129 PolarHBondContact N-O 2.71Å; R101-I129 PolarHBondContact O-N 2.92Å
102	K	98.8	Very high	97.7	Very high	56 Å²	56	31.9 Å²	31.9	24%	0.243	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.3	161.1	178.5	-179.2	175.8	-166.6	0	108.9	E30 L32 I126 F127	E30-K102 HydrophobicContact CB-CB 4.19Å; E30-K102 PolarHBondContact N-O 2.9Å; E30-K102 PolarHBondContact O-N 2.99Å; L32-K102 HydrophobicContact CD1-CB 4.06Å; L32-K102 HydrophobicContact CD2-CB 3.99Å; L32-K102 HydrophobicContact CG-CB 4.1Å; K102-I126 HydrophobicContact CD-CG2 4.32Å; K102-I126 HydrophobicContact CG-CG2 4.02Å; K102-F127 CarbonylContact C-O 3.52Å; K102-F127 WeakPolarHBondContact CA-O 3.27Å
103	L	98.8	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.7	174.3	-53.5	-174.8	0	0	0	109.1	V27 K28 I29 L92 R101 I105 I126 F127 I129	V27-L103 HydrophobicContact CG1-CB 3.97Å; V27-L103 HydrophobicContact CG1-CD2 4.21Å; K28-L103 CarbonylContact O-C 3.6Å; K28-L103 WeakPolarHBondContact O-CA 3Å; I29-L103 HydrophobicContact CB-CD2 4.27Å; I29-L103 HydrophobicContact CG1-CD2 3.99Å; I29-L103 HydrophobicContact CG2-CD2 3.96Å; L92-L103 HydrophobicContact CD2-CD1 4.21Å; L92-L103 HydrophobicContact CG-CD1 4.27Å; R101-L103 HydrophobicContact CB-CD2 4.4Å; L103-I105 HydrophobicContact CB-CD1 4.21Å; L103-I105 HydrophobicContact CB-CG1 4Å; L103-I105 HydrophobicContact CD1-CD1 4.34Å; L103-I126 CarbonylContact O-C 3.54Å; L103-I126 VanDerWaalsContact O-CA 3.29Å; L103-I126 WeakPolarHBondContact O-CA 3.39Å; L103-F127 HydrophobicContact CB-CB 4.33Å; L103-F127 PolarHBondContact N-O 2.84Å; L103-F127 PolarHBondContact O-N 3.18Å; L103-I129 HydrophobicContact CD1-CD1 3.72Å; L103-I129 HydrophobicContact CG-CD1 4.25Å
104	I	98.6	Very high	97.7	Very high	29 Å²	29	41.3 Å²	41.3	15%	0.149	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.5	166.2	-46.3	-175.3	0	0	0	107.1	V27 K28 T124 L125 I126	V27-I104 WeakPolarHBondContact CA-O 3.37Å; K28-I104 HydrophobicContact CB-CB 4Å; K28-I104 HydrophobicContact CB-CG1 4.33Å; K28-I104 HydrophobicContact CD-CD1 3.87Å; K28-I104 HydrophobicContact CD-CG1 4.45Å; K28-I104 PolarHBondContact N-O 2.02Å; K28-I104 PolarHBondContact O-N 3.33Å; I104-T124 HydrophobicContact CG2-CG2 3.61Å; I104-L125 CarbonylContact C-O 3.57Å; I104-L125 WeakPolarHBondContact CA-O 3.41Å; I104-I126 HydrophobicContact CG1-CG1 4.43Å; I104-I126 HydrophobicContact CG2-CG1 4.4Å
105	I	98.5	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.2	-169.3	-57.9	178.9	0	0	0	108.3	V27 L103 L109 T124 L125 F127	V27-I105 HydrophobicContact CG1-CG1 3.91Å; V27-I105 HydrophobicContact CG2-CG1 4.14Å; V27-I105 HydrophobicContact CG2-CG2 4.45Å; L103-I105 HydrophobicContact CB-CD1 4.21Å; L103-I105 HydrophobicContact CB-CG1 4Å; L103-I105 HydrophobicContact CD1-CD1 4.34Å; I105-L109 HydrophobicContact CG2-CB 3.76Å; I105-L109 WeakPolarHBondContact CG2-O 3.41Å; I105-T124 WeakPolarHBondContact O-CA 3.45Å; I105-L125 HydrophobicContact CB-CB 4.38Å; I105-L125 PolarHBondContact N-O 2.85Å; I105-L125 PolarHBondContact O-N 2.95Å; I105-F127 HydrophobicContact CD1-CD2 3.7Å; I105-F127 HydrophobicContact CD1-CE2 3.97Å
106	P	98	Very high	97.5	Very high	30 Å²	30	47.5 Å²	47.5	20%	0.195	26%	0.257	C	S	.	.			trans	-65.7	158.7	175.1	29.2	-35.2	0	0	0	110.8	P25 E26 A108 L109 G110	P25-P106 HydrophobicContact CB-CG 4.06Å; E26-P106 WeakPolarHBondContact O-CD 3.38Å; P106-A108 VanDerWaalsContact C-N 3.26Å; P106-A108 PolarHBondContact O-N 3.16Å; P106-A108 VanDerWaalsContact O-N 3.15Å; P106-L109 HydrophobicContact CG-CB 4.41Å; P106-L109 HydrophobicContact CG-CD1 4.19Å; P106-L109 HydrophobicContact CG-CG 4.27Å; P106-L109 PolarHBondContact O-N 3.46Å; P106-G110 PolarHBondContact O-N 2.83Å
107	P	97.5	Very high	97.3	Very high	23 Å²	23	51.4 Å²	51.4	15%	0.149	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.4	-173.4	19.7	-32.3	0	0	0	113.9	L109 G110 G112 E122	P107-L109 PolarHBondContact O-N 3.22Å; P107-L109 VanDerWaalsContact O-N 3.16Å; P107-G110 CarbonylContact O-C 3.58Å; P107-G110 PolarHBondContact O-N 3.29Å; P107-G112 VanDerWaalsContact O-CA 3.24Å; P107-G112 WeakPolarHBondContact O-CA 3.09Å; P107-G112 PolarHBondContact O-N 3.44Å; P107-E122 WeakPolarHBondContact CG-OE2 3.37Å
108	A	96.2	Very high	97.1	Very high	65 Å²	65	54.7 Å²	54.7	54%	0.537	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-59.9	-24	177.3	0	0	0	0	0	114.1	P25 P106	P25-A108 HydrophobicContact CB-CB 3.88Å; P25-A108 HydrophobicContact CG-CB 3.78Å; P106-A108 VanDerWaalsContact C-N 3.26Å; P106-A108 PolarHBondContact O-N 3.16Å; P106-A108 VanDerWaalsContact O-N 3.15Å
109	L	96.9	Very high	97.1	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-106.6	2.9	175.7	-61	-176.6	0	0	0	113.1	P25 V27 K86 G87 I105 P106 P107	P25-L109 HydrophobicContact CB-CG 4.22Å; P25-L109 HydrophobicContact CG-CD2 4.39Å; P25-L109 HydrophobicContact CG-CG 4.39Å; P25-L109 WeakPolarHBondContact O-CD1 3.23Å; V27-L109 HydrophobicContact CG2-CD1 3.56Å; K86-L109 HydrophobicContact CB-CB 4.37Å; K86-L109 HydrophobicContact CB-CD2 3.92Å; G87-L109 PolarHBondContact N-O 3.06Å; I105-L109 HydrophobicContact CG2-CB 3.76Å; I105-L109 WeakPolarHBondContact CG2-O 3.41Å; P106-L109 HydrophobicContact CG-CB 4.41Å; P106-L109 HydrophobicContact CG-CD1 4.19Å; P106-L109 HydrophobicContact CG-CG 4.27Å; P106-L109 PolarHBondContact O-N 3.46Å; P107-L109 PolarHBondContact O-N 3.22Å; P107-L109 VanDerWaalsContact O-N 3.16Å
110	G	96.9	Very high	97.1	Very high	19 Å²	19	55.7 Å²	55.7	20%	0.196	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-122.3	178.1	0	0	0	0	0	111.3	P106 P107	P106-G110 PolarHBondContact O-N 2.83Å; P107-G110 CarbonylContact O-C 3.58Å; P107-G110 PolarHBondContact O-N 3.29Å
111	Y	96.8	Very high	97.1	Very high	76 Å²	76	56.2 Å²	56.2	30%	0.298	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	9.2	-179.9	-63.2	-76.9	0	0	0	114	L85 G115 K116 I119 L125	L85-Y111 HydrophobicContact CD1-CE2 4.17Å; L85-Y111 HydrophobicContact CD2-CD1 4.21Å; L85-Y111 HydrophobicContact CD2-CD2 4.3Å; L85-Y111 HydrophobicContact CD2-CE1 3.81Å; L85-Y111 HydrophobicContact CD2-CE2 3.91Å; L85-Y111 HydrophobicContact CD2-CG 4.45Å; Y111-G115 PolarHBondContact O-N 2.83Å; Y111-G115 VanDerWaalsContact O-N 3.11Å; Y111-K116 HydrophobicContact CD1-CB 3.64Å; Y111-K116 HydrophobicContact CD1-CD 3.81Å; Y111-K116 HydrophobicContact CD1-CG 4.38Å; Y111-K116 HydrophobicContact CE1-CB 4.02Å; Y111-K116 HydrophobicContact CE1-CD 3.49Å; Y111-K116 VanDerWaalsContact CE1-CD 3.49Å; Y111-K116 HydrophobicContact CE1-CG 4.39Å; Y111-K116 HydrophobicContact CG-CB 3.98Å; Y111-I119 HydrophobicContact CD2-CB 4.39Å; Y111-I119 HydrophobicContact CD2-CD1 3.41Å; Y111-I119 VanDerWaalsContact CD2-CD1 3.41Å; Y111-I119 HydrophobicContact CD2-CG1 4.49Å; Y111-I119 HydrophobicContact CD2-CG2 4.03Å; Y111-I119 HydrophobicContact CE2-CD1 3.16Å; Y111-I119 HydrophobicContact CG-CD1 4.45Å; Y111-L125 HydrophobicContact CD2-CD1 3.79Å; Y111-L125 HydrophobicContact CE2-CD1 3.95Å
112	G	95.4	Very high	97	Very high	22 Å²	22	60.3 Å²	60.3	23%	0.227	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-149.6	171.2	0	0	0	0	0	115.1	P107 E114 E122	P107-G112 VanDerWaalsContact O-CA 3.24Å; P107-G112 WeakPolarHBondContact O-CA 3.09Å; P107-G112 PolarHBondContact O-N 3.44Å; G112-E114 VanDerWaalsContact C-N 3.28Å; G112-E114 PolarHBondContact O-N 3.36Å; G112-E122 PolarHBondContact O-N 2.87Å
113	K	96.4	Very high	97	Very high	152 Å²	152	58.2 Å²	58.2	66%	0.661	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.6	-175.6	-41.7	-151.2	165.5	166.6	0	113.4	P121 E122	K113-P121 WeakPolarHBondContact O-CB 3.48Å; K113-P121 WeakPolarHBondContact O-CG 3.28Å; K113-E122 WeakPolarHBondContact CA-OE1 3.36Å; K113-E122 WeakPolarHBondContact CB-OE1 3.46Å; K113-E122 WeakPolarHBondContact CG-OE1 3.44Å
114	E	96.2	Very high	97	Very high	165 Å²	165	59.9 Å²	59.9	77%	0.771	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-30.9	-175.1	-56.8	-53.7	140.4	0	0	111.9	G112	G112-E114 VanDerWaalsContact C-N 3.28Å; G112-E114 PolarHBondContact O-N 3.36Å
115	G	95.8	Very high	97	Very high	15 Å²	15	58.5 Å²	58.5	16%	0.155	33%	0.333	C	S	.	.			trans	68.1	-167.8	-170.4	0	0	0	0	0	112.1	Y111 I119	Y111-G115 PolarHBondContact O-N 2.83Å; Y111-G115 VanDerWaalsContact O-N 3.11Å; G115-I119 CarbonylContact C-O 3.59Å; G115-I119 WeakPolarHBondContact CA-O 3.32Å
116	K	96.1	Very high	97	Very high	142 Å²	142	60 Å²	60	62%	0.617	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-162.9	123.2	176.9	-167.3	173.4	-175.9	173.3	0	112.2	Y111 K118 I119	Y111-K116 HydrophobicContact CD1-CB 3.64Å; Y111-K116 HydrophobicContact CD1-CD 3.81Å; Y111-K116 HydrophobicContact CD1-CG 4.38Å; Y111-K116 HydrophobicContact CE1-CB 4.02Å; Y111-K116 HydrophobicContact CE1-CD 3.49Å; Y111-K116 VanDerWaalsContact CE1-CD 3.49Å; Y111-K116 HydrophobicContact CE1-CG 4.39Å; Y111-K116 HydrophobicContact CG-CB 3.98Å; K116-K118 PolarHBondContact O-N 3.05Å; K116-I119 PolarHBondContact N-O 3.49Å; K116-I119 WeakPolarHBondContact O-CB 3.43Å; K116-I119 PolarHBondContact O-N 3.47Å
117	G	95.1	Very high	97	Very high	87 Å²	87	58.8 Å²	58.8	90%	0.897	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	-110.3	173.9	0	0	0	0	0	112.6	I119	G117-I119 VanDerWaalsContact C-N 3.27Å; G117-I119 PolarHBondContact O-N 2.8Å
118	K	94.4	Very high	97.1	Very high	137 Å²	137	59.9 Å²	59.9	60%	0.596	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-5.6	177.5	-64.1	-177.6	-175.7	173.5	0	114	F63 K116 P120	F63-K118 HydrophobicContact CB-CB 4.19Å; K116-K118 PolarHBondContact O-N 3.05Å; K118-P120 WeakPolarHBondContact O-CD 3.35Å
119	I	97.6	Very high	97.2	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.056	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-101.9	112.5	-174.8	-57.3	169.6	0	0	0	108.4	L56 F63 Y111 G115 K116 G117 L125	L56-I119 HydrophobicContact CD2-CB 4.45Å; L56-I119 HydrophobicContact CD2-CG1 4.34Å; L56-I119 HydrophobicContact CD2-CG2 4.03Å; F63-I119 HydrophobicContact CB-CG1 4.19Å; F63-I119 HydrophobicContact CD1-CD1 4.39Å; F63-I119 HydrophobicContact CD1-CG1 4.16Å; F63-I119 HydrophobicContact CD2-CD1 3.72Å; F63-I119 HydrophobicContact CD2-CG1 3.97Å; F63-I119 HydrophobicContact CE1-CD1 4.35Å; F63-I119 HydrophobicContact CE2-CD1 3.72Å; F63-I119 HydrophobicContact CE2-CG1 4.41Å; F63-I119 HydrophobicContact CG-CD1 4.09Å; F63-I119 HydrophobicContact CG-CG1 3.87Å; F63-I119 HydrophobicContact CZ-CD1 4.04Å; Y111-I119 HydrophobicContact CD2-CB 4.39Å; Y111-I119 HydrophobicContact CD2-CD1 3.41Å; Y111-I119 VanDerWaalsContact CD2-CD1 3.41Å; Y111-I119 HydrophobicContact CD2-CG1 4.49Å; Y111-I119 HydrophobicContact CD2-CG2 4.03Å; Y111-I119 HydrophobicContact CE2-CD1 3.16Å; Y111-I119 HydrophobicContact CG-CD1 4.45Å; G115-I119 CarbonylContact C-O 3.59Å; G115-I119 WeakPolarHBondContact CA-O 3.32Å; K116-I119 PolarHBondContact N-O 3.49Å; K116-I119 WeakPolarHBondContact O-CB 3.43Å; K116-I119 PolarHBondContact O-N 3.47Å; G117-I119 VanDerWaalsContact C-N 3.27Å; G117-I119 PolarHBondContact O-N 2.8Å; I119-L125 HydrophobicContact CG2-CD2 3.73Å
120	P	97.9	Very high	97.3	Very high	44 Å²	44	58.2 Å²	58.2	29%	0.286	32%	0.319	S	S	.	.			trans	-65.6	161.3	177.2	-22.2	34.5	0	0	0	113.3	L56 K118 S123	L56-P120 HydrophobicContact CD1-CG 4.4Å; K118-P120 WeakPolarHBondContact O-CD 3.35Å; P120-S123 WeakPolarHBondContact CD-OG 3.31Å; P120-S123 WeakPolarHBondContact O-CB 3.49Å; P120-S123 PolarHBondContact O-OG 3.18Å
121	P	98.2	Very high	97.4	Very high	79 Å²	79	57.4 Å²	57.4	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40.6	142.9	161.4	-37.9	42.3	0	0	0	114.3	K113 S123	K113-P121 WeakPolarHBondContact O-CB 3.48Å; K113-P121 WeakPolarHBondContact O-CG 3.28Å; P121-S123 PolarHBondContact O-N 2.83Å; P121-S123 VanDerWaalsContact O-N 3.11Å
122	E	97.4	Very high	97.4	Very high	104 Å²	104	57 Å²	57	49%	0.486	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	29.9	171.4	-59	-64.9	165.8	0	0	114.2	P107 G112 K113	P107-E122 WeakPolarHBondContact CG-OE2 3.37Å; G112-E122 PolarHBondContact O-N 2.87Å; K113-E122 WeakPolarHBondContact CA-OE1 3.36Å; K113-E122 WeakPolarHBondContact CB-OE1 3.46Å; K113-E122 WeakPolarHBondContact CG-OE1 3.44Å
123	S	98.1	Very high	97.5	Very high	13 Å²	13	59 Å²	59	9%	0.091	32%	0.317	C	S	.	.			trans	-83.7	125.1	-179.9	-64.5	0	0	0	0	112.5	P120 P121	P120-S123 WeakPolarHBondContact CD-OG 3.31Å; P120-S123 WeakPolarHBondContact O-CB 3.49Å; P120-S123 PolarHBondContact O-OG 3.18Å; P121-S123 PolarHBondContact O-N 2.83Å; P121-S123 VanDerWaalsContact O-N 3.11Å
124	T	98.6	Very high	97.5	Very high	35 Å²	35	52.7 Å²	52.7	22%	0.215	29%	0.29	C	S	.	.			trans	-71.9	132.4	159.8	-55.1	0	0	0	0	109.8	E57 I104 I105	E57-T124 HydrophobicContact CB-CG2 4.01Å; E57-T124 WeakPolarHBondContact CB-O 3.45Å; E57-T124 HydrophobicContact CG-CG2 4.41Å; E57-T124 PolarHBondContact N-O 2.63Å; E57-T124 VanDerWaalsContact OE2-CB 3.31Å; E57-T124 WeakPolarHBondContact OE2-CB 3.18Å; E57-T124 WeakPolarHBondContact OE2-CG2 3.45Å; I104-T124 HydrophobicContact CG2-CG2 3.61Å; I105-T124 WeakPolarHBondContact O-CA 3.45Å
125	L	98.7	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.2	-175.7	-48.2	176.6	0	0	0	110.4	L56 F63 L85 I104 I105 Y111 I119 F127	L56-L125 HydrophobicContact CD2-CD2 3.89Å; F63-L125 HydrophobicContact CE1-CD2 3.96Å; F63-L125 HydrophobicContact CZ-CD2 4.44Å; L85-L125 HydrophobicContact CD1-CD1 4.04Å; I104-L125 CarbonylContact C-O 3.57Å; I104-L125 WeakPolarHBondContact CA-O 3.41Å; I105-L125 HydrophobicContact CB-CB 4.38Å; I105-L125 PolarHBondContact N-O 2.85Å; I105-L125 PolarHBondContact O-N 2.95Å; Y111-L125 HydrophobicContact CD2-CD1 3.79Å; Y111-L125 HydrophobicContact CE2-CD1 3.95Å; I119-L125 HydrophobicContact CG2-CD2 3.73Å; L125-F127 HydrophobicContact CB-CD2 4.19Å; L125-F127 HydrophobicContact CB-CE2 3.81Å; L125-F127 HydrophobicContact CD1-CE2 3.92Å
126	I	98.8	Very high	96.6	Very high	31 Å²	31	52.4 Å²	52.4	16%	0.159	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.4	169.4	-60.7	176.2	0	0	0	108.1	G54 Y55 E57 K102 L103 I104	G54-I126 CarbonylContact C-O 3.57Å; G54-I126 WeakPolarHBondContact CA-O 3.34Å; Y55-I126 PolarHBondContact N-O 3.09Å; Y55-I126 PolarHBondContact O-N 3.46Å; E57-I126 HydrophobicContact CB-CD1 4.11Å; E57-I126 HydrophobicContact CB-CG1 4.17Å; E57-I126 HydrophobicContact CG-CD1 4.09Å; K102-I126 HydrophobicContact CD-CG2 4.32Å; K102-I126 HydrophobicContact CG-CG2 4.02Å; L103-I126 CarbonylContact O-C 3.54Å; L103-I126 VanDerWaalsContact O-CA 3.29Å; L103-I126 WeakPolarHBondContact O-CA 3.39Å; I104-I126 HydrophobicContact CG1-CG1 4.43Å; I104-I126 HydrophobicContact CG2-CG1 4.4Å
127	F	98.8	Very high	95.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	172.3	-76	-92.6	0	0	0	110.8	Y52 E53 F63 L85 W88 K102 L103 I105 L125 I129	Y52-F127 AromaticContact CD2-CD1 3.78Å; Y52-F127 HydrophobicContact CD2-CD1 3.78Å; Y52-F127 AromaticContact CD2-CE1 3.79Å; Y52-F127 HydrophobicContact CD2-CE1 3.79Å; Y52-F127 HydrophobicContact CE2-CD1 4.37Å; Y52-F127 AromaticContact CE2-CE1 3.9Å; Y52-F127 HydrophobicContact CE2-CE1 3.9Å; E53-F127 CarbonylContact O-C 3.58Å; E53-F127 VanDerWaalsContact O-CA 3.3Å; E53-F127 WeakPolarHBondContact O-CA 3.41Å; F63-F127 HydrophobicContact CE2-CE1 4.31Å; F63-F127 HydrophobicContact CE2-CZ 4.11Å; F63-F127 AromaticContact CZ-CE1 3.97Å; F63-F127 HydrophobicContact CZ-CE1 3.97Å; F63-F127 HydrophobicContact CZ-CE2 4.08Å; F63-F127 AromaticContact CZ-CZ 3.56Å; F63-F127 HydrophobicContact CZ-CZ 3.56Å; L85-F127 HydrophobicContact CD1-CE2 3.75Å; L85-F127 HydrophobicContact CD1-CZ 3.8Å; W88-F127 AromaticContact CE2-CE1 3.96Å; W88-F127 AromaticContact CZ2-CD1 3.68Å; W88-F127 HydrophobicContact CZ2-CD1 3.68Å; W88-F127 AromaticContact CZ2-CE1 3.67Å; W88-F127 HydrophobicContact CZ2-CE1 3.67Å; W88-F127 HydrophobicContact CZ2-CG 4.44Å; W88-F127 HydrophobicContact CZ2-CZ 4.42Å; W88-F127 AromaticContact NE1-CD1 3.69Å; W88-F127 AromaticContact NE1-CD2 3.72Å; W88-F127 AromaticContact NE1-CE1 3.64Å; W88-F127 AromaticContact NE1-CE2 3.66Å; W88-F127 AromaticContact NE1-CG 3.71Å; W88-F127 AromaticContact NE1-CZ 3.61Å; K102-F127 CarbonylContact C-O 3.52Å; K102-F127 WeakPolarHBondContact CA-O 3.27Å; L103-F127 HydrophobicContact CB-CB 4.33Å; L103-F127 PolarHBondContact N-O 2.84Å; L103-F127 PolarHBondContact O-N 3.18Å; I105-F127 HydrophobicContact CD1-CD2 3.7Å; I105-F127 HydrophobicContact CD1-CE2 3.97Å; L125-F127 HydrophobicContact CB-CD2 4.19Å; L125-F127 HydrophobicContact CB-CE2 3.81Å; L125-F127 HydrophobicContact CD1-CE2 3.92Å; F127-I129 HydrophobicContact CB-CD1 3.89Å; F127-I129 HydrophobicContact CB-CG1 3.87Å; F127-I129 HydrophobicContact CG-CD1 4.47Å
128	N	98.8	Very high	94.4	Very high	46 Å²	46	45.3 Å²	45.3	25%	0.246	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.7	160	-63.7	-32.1	0	0	0	107.4	Y52 E53 R101	Y52-N128 CarbonylContact C-O 3.55Å; Y52-N128 WeakPolarHBondContact CA-O 3.45Å; Y52-N128 WeakPolarHBondContact CB-O 3.41Å; E53-N128 PolarHBondContact N-O 2.69Å; E53-N128 PolarHBondContact O-N 2.7Å; R101-N128 CarbonylContact O-C 3.53Å; R101-N128 WeakPolarHBondContact O-CA 3.26Å
129	I	98.8	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.4	-172.4	-54.6	176.9	0	0	0	109.3	V50 H51 W88 L92 K100 R101 L103 F127	V50-I129 HydrophobicContact CB-CG2 4.02Å; V50-I129 HydrophobicContact CG1-CG2 4.03Å; H51-I129 WeakPolarHBondContact O-CA 3.3Å; W88-I129 HydrophobicContact CD2-CD1 4.18Å; W88-I129 HydrophobicContact CH2-CD1 4.27Å; W88-I129 HydrophobicContact CZ2-CD1 3.79Å; W88-I129 HydrophobicContact CZ2-CG1 4.43Å; L92-I129 HydrophobicContact CD1-CD1 4.21Å; L92-I129 HydrophobicContact CD2-CB 4.38Å; L92-I129 HydrophobicContact CD2-CD1 3.86Å; L92-I129 HydrophobicContact CD2-CG2 4.08Å; L92-I129 HydrophobicContact CG-CD1 4.4Å; K100-I129 CarbonylContact C-O 3.57Å; K100-I129 VanDerWaalsContact CA-O 3.3Å; K100-I129 WeakPolarHBondContact CA-O 3.34Å; R101-I129 PolarHBondContact N-O 2.71Å; R101-I129 PolarHBondContact O-N 2.92Å; L103-I129 HydrophobicContact CD1-CD1 3.72Å; L103-I129 HydrophobicContact CG-CD1 4.25Å; F127-I129 HydrophobicContact CB-CD1 3.89Å; F127-I129 HydrophobicContact CB-CG1 3.87Å; F127-I129 HydrophobicContact CG-CD1 4.47Å
130	D	98.6	Very high	92.2	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.214	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.1	176.5	-69.4	0.8	0	0	0	108.4	V50 H51 K100 L132	V50-D130 VanDerWaalsContact CA-O 3.25Å; V50-D130 WeakPolarHBondContact CA-O 3.48Å; H51-D130 HydrophobicContact CB-CB 4.25Å; H51-D130 PolarHBondContact N-O 3.15Å; H51-D130 PolarHBondContact O-N 2.96Å; K100-D130 WeakPolarHBondContact CB-OD1 3.38Å; K100-D130 WeakPolarHBondContact CD-OD1 3.38Å; K100-D130 VanDerWaalsContact CE-OD2 3.28Å; K100-D130 WeakPolarHBondContact CE-OD2 3.36Å; K100-D130 HydrophobicContact CG-CB 4.43Å; K100-D130 WeakPolarHBondContact CG-OD1 3.4Å; K100-D130 IonicContact NZ-OD1 2.92Å; K100-D130 IonicContact NZ-OD2 2.71Å; K100-D130 PolarHBondContact NZ-OD2 3.27Å; D130-L132 HydrophobicContact CB-CD1 4.14Å; D130-L132 WeakPolarHBondContact O-CD1 3.33Å
131	L	98.6	Very high	91.2	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.7	177.3	179.6	55.9	0	0	0	110.7	T42 M48 V50 M95 C96 G98 E99 E133 I134	T42-L131 HydrophobicContact CG2-CD2 3.63Å; M48-L131 HydrophobicContact CB-CD1 3.91Å; M48-L131 HydrophobicContact CE-CD1 3.7Å; M48-L131 HydrophobicContact CE-CD2 3.99Å; M48-L131 HydrophobicContact CE-CG 4.37Å; M48-L131 HydrophobicContact CG-CD1 4.3Å; V50-L131 HydrophobicContact CG1-CD1 3.98Å; M95-L131 HydrophobicContact CB-CD2 3.86Å; M95-L131 HydrophobicContact CE-CB 3.64Å; M95-L131 HydrophobicContact CG-CB 4.26Å; M95-L131 HydrophobicContact CG-CD2 3.76Å; M95-L131 HydrophobicContact SD-CB 4.02Å; M95-L131 HydrophobicContact SD-CD2 4.26Å; C96-L131 WeakPolarHBondContact O-CD2 3.41Å; G98-L131 PolarHBondContact N-O 2.71Å; E99-L131 PolarHBondContact O-N 2.92Å; L131-E133 WeakPolarHBondContact CD1-O 3.31Å; L131-I134 HydrophobicContact CD1-CG1 4.3Å; L131-I134 HydrophobicContact CD2-CD1 4.03Å; L131-I134 HydrophobicContact CD2-CG1 3.92Å; L131-I134 HydrophobicContact CG-CG1 4.37Å
132	L	97.4	Very high	90.4	Very high	68 Å²	68	42.8 Å²	42.8	36%	0.356	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-36	-175.7	-73.7	69.7	0	0	0	112.5	L49 H51 P74 V97 D130	L49-L132 HydrophobicContact CB-CB 4.32Å; L49-L132 HydrophobicContact CD2-CB 4.19Å; L49-L132 HydrophobicContact CG-CB 4.2Å; L49-L132 WeakPolarHBondContact O-CB 3.4Å; L49-L132 PolarHBondContact O-N 3.11Å; H51-L132 HydrophobicContact CB-CD1 4.12Å; P74-L132 HydrophobicContact CB-CD2 4.1Å; P74-L132 HydrophobicContact CG-CD2 4.12Å; V97-L132 WeakPolarHBondContact CG1-O 3.45Å; D130-L132 HydrophobicContact CB-CD1 4.14Å; D130-L132 WeakPolarHBondContact O-CD1 3.33Å
133	E	96.9	Very high	89.7	Confident	64 Å²	64	38.4 Å²	38.4	30%	0.299	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	149.9	-176.3	-161.1	179.2	159.1	0	0	110.7	L49 W76 L131 R135	L49-E133 HydrophobicContact CB-CB 3.68Å; L49-E133 HydrophobicContact CD2-CB 4.13Å; L49-E133 PolarHBondContact N-O 3.31Å; L49-E133 PolarHBondContact O-N 3.42Å; W76-E133 HydrophobicContact CH2-CB 4.13Å; W76-E133 HydrophobicContact CH2-CG 4.24Å; L131-E133 WeakPolarHBondContact CD1-O 3.31Å; E133-R135 IonicContact OE1-CZ 2.99Å; E133-R135 VanDerWaalsContact OE1-CZ 3.26Å; E133-R135 IonicContact OE1-NE 2.76Å; E133-R135 PolarHBondContact OE1-NE 2.84Å; E133-R135 IonicContact OE1-NH2 2.67Å; E133-R135 PolarHBondContact OE1-NH2 2.8Å; E133-R135 IonicContact OE2-NE 3.61Å; E133-R135 IonicContact OE2-NH2 3.85Å; E133-R135 PolarHBondContact OE2-NH2 2.74Å
134	I	96.3	Very high	89.1	Confident	19 Å²	19	38 Å²	38	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.6	170	-53.4	167.9	0	0	0	107.8	R40 T42 D46 L47 V97 L131	R40-I134 HydrophobicContact CG-CD1 4.23Å; R40-I134 VanDerWaalsContact NE-CG2 3.32Å; T42-I134 HydrophobicContact CG2-CD1 3.59Å; T42-I134 HydrophobicContact CG2-CG1 3.79Å; T42-I134 HydrophobicContact CG2-CG2 4.45Å; D46-I134 HydrophobicContact CB-CG2 3.9Å; D46-I134 WeakPolarHBondContact OD2-CG2 3.44Å; L47-I134 CarbonylContact O-C 3.56Å; L47-I134 WeakPolarHBondContact O-CA 3.42Å; V97-I134 HydrophobicContact CG2-CB 4.4Å; V97-I134 HydrophobicContact CG2-CD1 3.94Å; V97-I134 HydrophobicContact CG2-CG1 3.72Å; L131-I134 HydrophobicContact CD1-CG1 4.3Å; L131-I134 HydrophobicContact CD2-CD1 4.03Å; L131-I134 HydrophobicContact CD2-CG1 3.92Å; L131-I134 HydrophobicContact CG-CG1 4.37Å
135	R	90.1	Very high	88.7	Confident	124 Å²	124	41 Å²	41	47%	0.468	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	159.6	169.8	-68.2	-174.1	-176.8	177.6	8.1	110	D46 L47 W76 E133 G137	D46-R135 WeakPolarHBondContact CA-O 3.47Å; L47-R135 HydrophobicContact CB-CB 4.03Å; L47-R135 PolarHBondContact N-O 2.92Å; L47-R135 PolarHBondContact O-N 2.68Å; W76-R135 HydrophobicContact CH2-CB 4.47Å; W76-R135 VanDerWaalsContact CH2-CD 3.49Å; W76-R135 HydrophobicContact CH2-CG 3.77Å; W76-R135 HydrophobicContact CZ3-CB 4.3Å; W76-R135 HydrophobicContact CZ3-CG 4.07Å; E133-R135 IonicContact OE1-CZ 2.99Å; E133-R135 VanDerWaalsContact OE1-CZ 3.26Å; E133-R135 IonicContact OE1-NE 2.76Å; E133-R135 PolarHBondContact OE1-NE 2.84Å; E133-R135 IonicContact OE1-NH2 2.67Å; E133-R135 PolarHBondContact OE1-NH2 2.8Å; E133-R135 IonicContact OE2-NE 3.61Å; E133-R135 IonicContact OE2-NH2 3.85Å; E133-R135 PolarHBondContact OE2-NH2 2.74Å; R135-G137 PolarHBondContact O-N 2.86Å
136	N	83.6	Confident	88.2	Confident	49 Å²	49	46.9 Å²	46.9	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.8	164.9	-65.7	-35	0	0	0	107.7	R40 E142	R40-N136 PolarHBondContact NH1-OD1 3.39Å; R40-N136 VanDerWaalsContact NH1-OD1 3.09Å; R40-N136 PolarHBondContact NH2-OD1 3.03Å; N136-E142 PolarHBondContact ND2-OE1 3.48Å; N136-E142 PolarHBondContact ND2-OE2 2.96Å; N136-E142 PolarHBondContact OD1-OE1 3.26Å
137	G	76.1	Confident	87.8	Confident	1 Å²	1	46 Å²	46	1%	0.01	22%	0.223	C	C	.	.			trans	-78.3	169.4	172.8	0	0	0	0	0	111.6	G45 R135 R139 S140 S143	G45-G137 WeakPolarHBondContact O-CA 3.31Å; G45-G137 PolarHBondContact O-N 3.18Å; R135-G137 PolarHBondContact O-N 2.86Å; G137-R139 PolarHBondContact O-N 2.72Å; G137-S140 WeakPolarHBondContact O-CB 3.46Å; G137-S140 PolarHBondContact O-N 3.24Å; G137-S140 PolarHBondContact O-OG 3.37Å; G137-S140 VanDerWaalsContact O-OG 3.1Å; G137-S143 PolarHBondContact O-OG 3.07Å
138	P	68.1	Low	87.6	Confident	79 Å²	79	46.2 Å²	46.2	51%	0.513	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.9	-178.9	25.6	-34.6	0	0	0	113	S143 F204	P138-S143 WeakPolarHBondContact O-CB 3.16Å; P138-F204 WeakPolarHBondContact O-CZ 3.35Å
139	R	71.8	Confident	87.4	Confident	54 Å²	54	49.8 Å²	49.8	20%	0.204	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	26	174.1	-65.8	-163.8	-80.3	-169.5	-10.9	114.4	G137 E191 F204	G137-R139 PolarHBondContact O-N 2.72Å; R139-E191 IonicContact NH1-OE2 2.66Å; R139-F204 VanDerWaalsContact C-CE1 3.49Å; R139-F204 VanDerWaalsContact CA-CE1 3.45Å; R139-F204 HydrophobicContact CB-CE1 4.01Å; R139-F204 HydrophobicContact CB-CZ 4.09Å; R139-F204 HydrophobicContact CG-CE1 4.38Å; R139-F204 HydrophobicContact CG-CE2 4.19Å; R139-F204 HydrophobicContact CG-CZ 4.02Å
140	S	74.1	Confident	87.2	Confident	1 Å²	1	54 Å²	54	1%	0.007	27%	0.265	C	S	.	.	S	Bend	trans	-76.2	159.3	174.3	73.1	0	0	0	0	111.5	G137 E142 S143 F144	G137-S140 WeakPolarHBondContact O-CB 3.46Å; G137-S140 PolarHBondContact O-N 3.24Å; G137-S140 PolarHBondContact O-OG 3.37Å; G137-S140 VanDerWaalsContact O-OG 3.1Å; S140-E142 PolarHBondContact O-N 3.49Å; S140-E142 PolarHBondContact OG-N 3.47Å; S140-S143 WeakPolarHBondContact O-CB 3.21Å; S140-S143 PolarHBondContact O-N 2.87Å; S140-S143 VanDerWaalsContact O-N 3.07Å; S140-S143 PolarHBondContact OG-N 3.32Å; S140-S143 PolarHBondContact OG-OG 3.18Å; S140-F144 PolarHBondContact O-N 3.18Å
141	H	77.6	Confident	86.9	Confident	80 Å²	80	57.9 Å²	57.9	37%	0.37	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-36.7	170.9	178.8	63.7	0	0	0	112.2	F144 Q145 W153	H141-F144 WeakPolarHBondContact O-CB 3.09Å; H141-F144 PolarHBondContact O-N 3.46Å; H141-Q145 PolarHBondContact CD2-OE1 3.01Å; H141-Q145 VanDerWaalsContact NE2-CD 3.27Å; H141-Q145 PolarHBondContact NE2-NE2 3.01Å; H141-Q145 VanDerWaalsContact NE2-NE2 3.14Å; H141-Q145 PolarHBondContact NE2-OE1 3Å; H141-Q145 VanDerWaalsContact O-CG 3.31Å; H141-Q145 WeakPolarHBondContact O-CG 3.37Å; H141-Q145 PolarHBondContact O-N 3.14Å; H141-W153 AromaticContact CE1-CZ3 3.94Å
142	E	81.4	Confident	86.8	Confident	84 Å²	84	60.7 Å²	60.7	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.4	-67	175.8	-139	0	0	111	N136 S140 F144 Q145 E146	N136-E142 PolarHBondContact ND2-OE1 3.48Å; N136-E142 PolarHBondContact ND2-OE2 2.96Å; N136-E142 PolarHBondContact OD1-OE1 3.26Å; S140-E142 PolarHBondContact O-N 3.49Å; S140-E142 PolarHBondContact OG-N 3.47Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 3.02Å; E142-Q145 PolarHBondContact O-N 2.91Å; E142-E146 WeakPolarHBondContact O-CG 3.38Å; E142-E146 PolarHBondContact O-N 2.65Å
143	S	82	Confident	86.5	Confident	11 Å²	11	64.9 Å²	64.9	8%	0.077	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-38.9	174.4	-56	0	0	0	0	112.1	G137 P138 S140 E146 M147	G137-S143 PolarHBondContact O-OG 3.07Å; P138-S143 WeakPolarHBondContact O-CB 3.16Å; S140-S143 WeakPolarHBondContact O-CB 3.21Å; S140-S143 PolarHBondContact O-N 2.87Å; S140-S143 VanDerWaalsContact O-N 3.07Å; S140-S143 PolarHBondContact OG-N 3.32Å; S140-S143 PolarHBondContact OG-OG 3.18Å; S143-E146 PolarHBondContact O-N 3.21Å; S143-M147 WeakPolarHBondContact O-CE 3.21Å; S143-M147 WeakPolarHBondContact O-CG 3.34Å; S143-M147 PolarHBondContact O-N 2.9Å
144	F	86.8	Confident	86.4	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-49.5	173.4	-174.5	-87.9	0	0	0	111.2	S140 H141 E142 E146 M147 D148 L155 A201 F204	S140-F144 PolarHBondContact O-N 3.18Å; H141-F144 WeakPolarHBondContact O-CB 3.09Å; H141-F144 PolarHBondContact O-N 3.46Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 3.02Å; F144-E146 VanDerWaalsContact C-N 3.26Å; F144-E146 PolarHBondContact O-N 2.92Å; F144-M147 PolarHBondContact O-N 2.9Å; F144-D148 HydrophobicContact CD1-CB 4.26Å; F144-D148 HydrophobicContact CE1-CB 3.92Å; F144-D148 WeakPolarHBondContact O-CB 3.42Å; F144-D148 PolarHBondContact O-N 3.1Å; F144-L155 HydrophobicContact CD2-CD1 3.89Å; F144-L155 HydrophobicContact CD2-CD2 4.17Å; F144-L155 HydrophobicContact CD2-CG 4.02Å; F144-L155 HydrophobicContact CE2-CD1 3.83Å; F144-L155 HydrophobicContact CE2-CD2 3.86Å; F144-L155 HydrophobicContact CE2-CG 3.51Å; F144-L155 HydrophobicContact CZ-CD2 4.05Å; F144-L155 HydrophobicContact CZ-CG 4.04Å; F144-A201 HydrophobicContact CE1-CB 4.07Å; F144-A201 HydrophobicContact CE2-CB 4.02Å; F144-A201 HydrophobicContact CZ-CB 3.77Å; F144-F204 HydrophobicContact CB-CD1 3.9Å; F144-F204 HydrophobicContact CB-CE1 3.68Å; F144-F204 HydrophobicContact CB-CZ 4.34Å; F144-F204 HydrophobicContact CD2-CB 3.8Å; F144-F204 AromaticContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD2 4.14Å; F144-F204 HydrophobicContact CD2-CE1 4.06Å; F144-F204 AromaticContact CD2-CG 3.56Å; F144-F204 HydrophobicContact CD2-CG 3.56Å; F144-F204 HydrophobicContact CE2-CB 4.01Å; F144-F204 HydrophobicContact CE2-CG 4.22Å; F144-F204 HydrophobicContact CG-CD1 4.17Å; F144-F204 HydrophobicContact CG-CE1 4.38Å
145	Q	88.6	Confident	86.3	Confident	98 Å²	98	63.9 Å²	63.9	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-29.1	178	-70.7	178.7	-49.1	0	0	113.2	H141 E142 M147	H141-Q145 PolarHBondContact CD2-OE1 3.01Å; H141-Q145 VanDerWaalsContact NE2-CD 3.27Å; H141-Q145 PolarHBondContact NE2-NE2 3.01Å; H141-Q145 VanDerWaalsContact NE2-NE2 3.14Å; H141-Q145 PolarHBondContact NE2-OE1 3Å; H141-Q145 VanDerWaalsContact O-CG 3.31Å; H141-Q145 WeakPolarHBondContact O-CG 3.37Å; H141-Q145 PolarHBondContact O-N 3.14Å; E142-Q145 PolarHBondContact O-N 2.91Å; Q145-M147 VanDerWaalsContact C-N 3.27Å
146	E	88.6	Confident	86.7	Confident	124 Å²	124	59 Å²	59	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-71.1	-24.4	173.3	-74.5	177.9	-174.5	0	0	112.9	E142 S143 F144	E142-E146 WeakPolarHBondContact O-CG 3.38Å; E142-E146 PolarHBondContact O-N 2.65Å; S143-E146 PolarHBondContact O-N 3.21Å; F144-E146 VanDerWaalsContact C-N 3.26Å; F144-E146 PolarHBondContact O-N 2.92Å
147	M	91.1	Very high	87.2	Confident	14 Å²	14	60 Å²	60	7%	0.069	29%	0.293	C	S	.	.	H	α-helix	trans	-93.9	-36.2	179.5	-69.6	-173.9	-67.8	0	0	113.3	S143 F144 Q145 L149 L155 E159 Y163 F204	S143-M147 WeakPolarHBondContact O-CE 3.21Å; S143-M147 WeakPolarHBondContact O-CG 3.34Å; S143-M147 PolarHBondContact O-N 2.9Å; F144-M147 PolarHBondContact O-N 2.9Å; Q145-M147 VanDerWaalsContact C-N 3.27Å; M147-L149 PolarHBondContact O-N 2.9Å; M147-L155 HydrophobicContact CB-CD1 4.37Å; M147-L155 HydrophobicContact CB-CD2 3.66Å; M147-L155 HydrophobicContact CE-CD1 3.79Å; M147-L155 HydrophobicContact SD-CD1 4.39Å; M147-E159 WeakPolarHBondContact O-CB 3.47Å; M147-Y163 HydrophobicContact CG-CD1 4Å; M147-Y163 HydrophobicContact CG-CD2 3.45Å; M147-Y163 VanDerWaalsContact CG-CD2 3.45Å; M147-Y163 HydrophobicContact CG-CE1 4.47Å; M147-Y163 HydrophobicContact CG-CE2 3.98Å; M147-Y163 HydrophobicContact CG-CG 3.47Å; M147-Y163 VanDerWaalsContact CG-CG 3.47Å; M147-Y163 HydrophobicContact SD-CD1 3.73Å; M147-Y163 HydrophobicContact SD-CD2 4.27Å; M147-Y163 HydrophobicContact SD-CE1 4.09Å; M147-Y163 HydrophobicContact SD-CG 3.83Å; M147-F204 HydrophobicContact CE-CD2 4.2Å; M147-F204 HydrophobicContact CE-CE1 4.35Å; M147-F204 HydrophobicContact CE-CE2 3.18Å; M147-F204 HydrophobicContact CE-CZ 3.25Å
148	D	94.2	Very high	88.1	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.043	33%	0.325	C	S	.	.			trans	-72.7	92.2	176.7	-178	-2.9	0	0	0	109.2	F144 N150 D151 D152 W153 L155	F144-D148 HydrophobicContact CD1-CB 4.26Å; F144-D148 HydrophobicContact CE1-CB 3.92Å; F144-D148 WeakPolarHBondContact O-CB 3.42Å; F144-D148 PolarHBondContact O-N 3.1Å; D148-N150 VanDerWaalsContact C-N 3.33Å; D148-N150 PolarHBondContact OD1-OD1 2.91Å; D148-D151 VanDerWaalsContact OD1-CA 3.25Å; D148-D151 WeakPolarHBondContact OD1-CA 3.43Å; D148-D151 PolarHBondContact OD1-N 3.05Å; D148-D152 PolarHBondContact OD1-N 2.99Å; D148-D152 VanDerWaalsContact OD1-N 3.14Å; D148-D152 PolarHBondContact OD2-N 3.49Å; D148-W153 WeakPolarHBondContact OD2-CA 3.39Å; D148-W153 PolarHBondContact OD2-N 3.13Å; D148-L155 HydrophobicContact CB-CD2 3.92Å
149	L	93.8	Very high	89.4	Confident	121 Å²	121	62.8 Å²	62.8	63%	0.634	30%	0.303	S	S	*	.	S	Bend	trans	-82	-17.6	-172.6	-63.1	-179.9	0	0	0	112.3	M147 E159	M147-L149 PolarHBondContact O-N 2.9Å; L149-E159 HydrophobicContact CB-CG 4.2Å; L149-E159 HydrophobicContact CD1-CG 4.25Å; L149-E159 HydrophobicContact CG-CG 4.12Å; L149-E159 PolarHBondContact N-OE1 3.39Å
150	N	94.8	Very high	90.4	Very high	89 Å²	89	60.8 Å²	60.8	48%	0.476	30%	0.296	S	S	.	.	S	Bend	trans	-108.9	0.4	-176.9	73.2	14.9	0	0	0	113.4	D148 D152 E159	D148-N150 VanDerWaalsContact C-N 3.33Å; D148-N150 PolarHBondContact OD1-OD1 2.91Å; N150-D152 VanDerWaalsContact C-N 3.29Å; N150-D152 PolarHBondContact ND2-OD2 3.33Å; N150-D152 PolarHBondContact O-N 3.26Å; N150-D152 WeakPolarHBondContact OD1-CB 2.73Å; N150-D152 PolarHBondContact OD1-N 2.86Å; N150-D152 PolarHBondContact OD1-OD1 3.14Å; N150-D152 PolarHBondContact OD1-OD2 3.45Å; N150-E159 PolarHBondContact N-OE1 3.12Å
151	D	93.9	Very high	91.2	Very high	121 Å²	121	63.2 Å²	63.2	65%	0.647	31%	0.307	S	S	*	.			trans	57.8	33	179.7	-64.7	-59.9	0	0	0	113.6	D148	D148-D151 VanDerWaalsContact OD1-CA 3.25Å; D148-D151 WeakPolarHBondContact OD1-CA 3.43Å; D148-D151 PolarHBondContact OD1-N 3.05Å
152	D	95	Very high	91.8	Very high	61 Å²	61	61.6 Å²	61.6	33%	0.326	31%	0.307	S	S	.	.	S	Bend	trans	-94.7	6.3	-177.3	81.5	-1.7	0	0	0	114.6	D148 N150 K154	D148-D152 PolarHBondContact OD1-N 2.99Å; D148-D152 VanDerWaalsContact OD1-N 3.14Å; D148-D152 PolarHBondContact OD2-N 3.49Å; N150-D152 VanDerWaalsContact C-N 3.29Å; N150-D152 PolarHBondContact ND2-OD2 3.33Å; N150-D152 PolarHBondContact O-N 3.26Å; N150-D152 WeakPolarHBondContact OD1-CB 2.73Å; N150-D152 PolarHBondContact OD1-N 2.86Å; N150-D152 PolarHBondContact OD1-OD1 3.14Å; N150-D152 PolarHBondContact OD1-OD2 3.45Å; D152-K154 VanDerWaalsContact C-N 3.26Å; D152-K154 PolarHBondContact O-N 3Å; D152-K154 WeakPolarHBondContact OD1-CG 3.46Å; D152-K154 PolarHBondContact OD1-N 2.71Å; D152-K154 WeakPolarHBondContact OD2-CE 2.98Å
153	W	91.1	Very high	92.2	Very high	157 Å²	157	60 Å²	60	60%	0.595	30%	0.298	S	S	*	.	S	Bend	trans	66.4	21.5	176.8	-63.5	75.4	0	0	0	114.9	H141 D148 A201	H141-W153 AromaticContact CE1-CZ3 3.94Å; D148-W153 WeakPolarHBondContact OD2-CA 3.39Å; D148-W153 PolarHBondContact OD2-N 3.13Å; W153-A201 HydrophobicContact CE3-CB 4.34Å; W153-A201 PolarHBondContact O-N 3.4Å; W153-A201 VanDerWaalsContact O-N 3.12Å
154	K	94.6	Very high	92.4	Very high	59 Å²	59	60.9 Å²	60.9	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.2	172.9	56.3	-179.9	-172.7	167.4	0	109.8	D152 F198 I199	D152-K154 VanDerWaalsContact C-N 3.26Å; D152-K154 PolarHBondContact O-N 3Å; D152-K154 WeakPolarHBondContact OD1-CG 3.46Å; D152-K154 PolarHBondContact OD1-N 2.71Å; D152-K154 WeakPolarHBondContact OD2-CE 2.98Å; K154-F198 HydrophobicContact CB-CB 4.06Å; K154-F198 HydrophobicContact CD-CB 3.97Å; K154-F198 HydrophobicContact CD-CD1 3.77Å; K154-F198 HydrophobicContact CD-CD2 4.24Å; K154-F198 HydrophobicContact CD-CE1 4.34Å; K154-F198 HydrophobicContact CD-CG 3.72Å; K154-F198 HydrophobicContact CG-CB 4.32Å; K154-F198 HydrophobicContact CG-CD1 4.09Å; K154-F198 HydrophobicContact CG-CG 4.33Å; K154-I199 CarbonylContact C-O 3.56Å; K154-I199 WeakPolarHBondContact CA-O 3.31Å
155	L	95.6	Very high	92.4	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.9	-178.9	-55	175.8	0	0	0	109.6	F144 M147 D148 V160 F188 F198 I199 F204	F144-L155 HydrophobicContact CD2-CD1 3.89Å; F144-L155 HydrophobicContact CD2-CD2 4.17Å; F144-L155 HydrophobicContact CD2-CG 4.02Å; F144-L155 HydrophobicContact CE2-CD1 3.83Å; F144-L155 HydrophobicContact CE2-CD2 3.86Å; F144-L155 HydrophobicContact CE2-CG 3.51Å; F144-L155 HydrophobicContact CZ-CD2 4.05Å; F144-L155 HydrophobicContact CZ-CG 4.04Å; M147-L155 HydrophobicContact CB-CD1 4.37Å; M147-L155 HydrophobicContact CB-CD2 3.66Å; M147-L155 HydrophobicContact CE-CD1 3.79Å; M147-L155 HydrophobicContact SD-CD1 4.39Å; D148-L155 HydrophobicContact CB-CD2 3.92Å; L155-V160 HydrophobicContact CB-CG2 3.98Å; L155-V160 HydrophobicContact CD1-CG2 4.43Å; L155-F188 WeakPolarHBondContact O-CZ 3.43Å; L155-F198 WeakPolarHBondContact O-CA 3.3Å; L155-I199 HydrophobicContact CB-CB 4.28Å; L155-I199 PolarHBondContact N-O 3.22Å; L155-I199 PolarHBondContact O-N 3.45Å; L155-F204 HydrophobicContact CD1-CD2 3.78Å; L155-F204 HydrophobicContact CD1-CE2 4.07Å; L155-F204 HydrophobicContact CD1-CG 4.48Å
156	S	96.9	Very high	92.4	Very high	23 Å²	23	67.7 Å²	67.7	16%	0.161	33%	0.33	C	S	.	.			trans	-79.5	159.4	168.6	66.2	0	0	0	0	111.6	D158 E159 V160 F188	S156-D158 PolarHBondContact O-N 3.29Å; S156-E159 WeakPolarHBondContact CB-OE2 2.96Å; S156-E159 PolarHBondContact N-OE2 2.8Å; S156-E159 PolarHBondContact O-N 2.74Å; S156-E159 VanDerWaalsContact OG-CD 3.3Å; S156-E159 WeakPolarHBondContact OG-CG 3.21Å; S156-E159 PolarHBondContact OG-N 2.94Å; S156-E159 PolarHBondContact OG-OE2 3.11Å; S156-V160 PolarHBondContact O-N 3.26Å; S156-V160 VanDerWaalsContact O-N 3.11Å; S156-F188 VanDerWaalsContact C-CZ 3.48Å
157	K	95.1	Very high	92.1	Very high	70 Å²	70	64 Å²	64	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-56	-37.3	174.2	-70.3	-177.3	174.4	-173.8	0	112.2	V160 K161 V184 E185 F188	K157-V160 PolarHBondContact O-N 2.99Å; K157-K161 VanDerWaalsContact O-CB 3.23Å; K157-K161 WeakPolarHBondContact O-CB 2.94Å; K157-K161 PolarHBondContact O-N 3.22Å; K157-V184 HydrophobicContact CB-CG1 3.92Å; K157-V184 HydrophobicContact CG-CG1 4.08Å; K157-E185 WeakPolarHBondContact CD-OE1 3.25Å; K157-E185 WeakPolarHBondContact CE-OE1 3.17Å; K157-E185 IonicContact NZ-OE1 3.62Å; K157-E185 PolarHBondContact NZ-OE1 3.23Å; K157-E185 IonicContact NZ-OE2 3.99Å; K157-E185 PolarHBondContact NZ-OE2 3.48Å; K157-F188 HydrophobicContact CB-CE2 4.32Å; K157-F188 HydrophobicContact CB-CZ 4.21Å; K157-F188 HydrophobicContact CD-CD1 4.47Å; K157-F188 HydrophobicContact CD-CG 4.49Å; K157-F188 HydrophobicContact CG-CD1 3.74Å; K157-F188 HydrophobicContact CG-CD2 3.86Å; K157-F188 HydrophobicContact CG-CE1 3.6Å; K157-F188 HydrophobicContact CG-CE2 3.74Å; K157-F188 HydrophobicContact CG-CG 3.86Å; K157-F188 HydrophobicContact CG-CZ 3.63Å; K157-F188 VanDerWaalsContact N-CZ 3.32Å
158	D	95.1	Very high	91.7	Very high	128 Å²	128	67 Å²	67	68%	0.684	33%	0.325	S	S	*	.	H	α-helix	trans	-66.6	-39.8	179.7	-70.8	-34.4	0	0	0	112.1	S156 K161 A162	S156-D158 PolarHBondContact O-N 3.29Å; D158-K161 PolarHBondContact O-N 3.42Å; D158-A162 VanDerWaalsContact O-CB 3.28Å; D158-A162 WeakPolarHBondContact O-CB 3.37Å; D158-A162 PolarHBondContact O-N 3.04Å
159	E	94.7	Very high	91.2	Very high	10 Å²	10	71.9 Å²	71.9	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-65.8	-46.4	175.9	-78.4	164.3	143.7	0	0	112.1	M147 L149 N150 S156 K161 A162 Y163	M147-E159 WeakPolarHBondContact O-CB 3.47Å; L149-E159 HydrophobicContact CB-CG 4.2Å; L149-E159 HydrophobicContact CD1-CG 4.25Å; L149-E159 HydrophobicContact CG-CG 4.12Å; L149-E159 PolarHBondContact N-OE1 3.39Å; N150-E159 PolarHBondContact N-OE1 3.12Å; S156-E159 WeakPolarHBondContact CB-OE2 2.96Å; S156-E159 PolarHBondContact N-OE2 2.8Å; S156-E159 PolarHBondContact O-N 2.74Å; S156-E159 VanDerWaalsContact OG-CD 3.3Å; S156-E159 WeakPolarHBondContact OG-CG 3.21Å; S156-E159 PolarHBondContact OG-N 2.94Å; S156-E159 PolarHBondContact OG-OE2 3.11Å; E159-K161 VanDerWaalsContact C-N 3.34Å; E159-K161 PolarHBondContact O-N 3.35Å; E159-A162 PolarHBondContact O-N 3.4Å; E159-Y163 WeakPolarHBondContact O-CB 3.2Å; E159-Y163 PolarHBondContact O-N 2.93Å
160	V	92.4	Very high	90.5	Very high	11 Å²	11	73 Å²	73	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-43.2	175.8	178.6	0	0	0	0	110.7	L155 S156 K157 A162 Y163 L164 V184 I187 F188	L155-V160 HydrophobicContact CB-CG2 3.98Å; L155-V160 HydrophobicContact CD1-CG2 4.43Å; S156-V160 PolarHBondContact O-N 3.26Å; S156-V160 VanDerWaalsContact O-N 3.11Å; K157-V160 PolarHBondContact O-N 2.99Å; V160-A162 PolarHBondContact O-N 3.2Å; V160-Y163 PolarHBondContact O-N 2.75Å; V160-L164 HydrophobicContact CG1-CD1 4.04Å; V160-L164 HydrophobicContact CG1-CG 4.45Å; V160-L164 WeakPolarHBondContact O-CB 3.49Å; V160-L164 WeakPolarHBondContact O-CG 3.27Å; V160-L164 PolarHBondContact O-N 3.4Å; V160-V184 HydrophobicContact CG1-CG2 4.34Å; V160-I187 HydrophobicContact CG1-CD1 4.36Å; V160-F188 HydrophobicContact CB-CE2 4.04Å; V160-F188 HydrophobicContact CG1-CE2 4.43Å; V160-F188 HydrophobicContact CG2-CE2 3.76Å; V160-F188 HydrophobicContact CG2-CZ 4.01Å
161	K	91.6	Very high	89.6	Confident	53 Å²	53	75.8 Å²	75.8	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-45.1	175.3	-176.9	173.9	174.2	171.7	0	111.5	K157 D158 E159 L164 K165 E177 D181 V184	K157-K161 VanDerWaalsContact O-CB 3.23Å; K157-K161 WeakPolarHBondContact O-CB 2.94Å; K157-K161 PolarHBondContact O-N 3.22Å; D158-K161 PolarHBondContact O-N 3.42Å; E159-K161 VanDerWaalsContact C-N 3.34Å; E159-K161 PolarHBondContact O-N 3.35Å; K161-L164 PolarHBondContact O-N 3.14Å; K161-K165 WeakPolarHBondContact O-CB 3.25Å; K161-K165 PolarHBondContact O-N 2.82Å; K161-E177 IonicContact NZ-OE1 3.34Å; K161-E177 PolarHBondContact NZ-OE1 3.03Å; K161-D181 WeakPolarHBondContact CD-OD1 3.45Å; K161-D181 WeakPolarHBondContact CE-OD1 3.48Å; K161-D181 IonicContact NZ-OD1 3.53Å; K161-D181 PolarHBondContact NZ-OD1 3.42Å; K161-D181 IonicContact NZ-OD2 3.87Å; K161-V184 HydrophobicContact CB-CG2 4.05Å
162	A	91.4	Very high	88.6	Confident	46 Å²	46	73.2 Å²	73.2	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-43.6	178.9	0	0	0	0	0	111.9	D158 E159 V160 K165 K166	D158-A162 VanDerWaalsContact O-CB 3.28Å; D158-A162 WeakPolarHBondContact O-CB 3.37Å; D158-A162 PolarHBondContact O-N 3.04Å; E159-A162 PolarHBondContact O-N 3.4Å; V160-A162 PolarHBondContact O-N 3.2Å; A162-K165 PolarHBondContact O-N 2.79Å; A162-K166 PolarHBondContact O-N 2.99Å; A162-K166 VanDerWaalsContact O-N 3.11Å
163	Y	89.1	Confident	87.7	Confident	51 Å²	51	72.4 Å²	72.4	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-50.1	176.7	178.9	-95.7	0	0	0	112.1	M147 E159 V160 K165 K166 E167	M147-Y163 HydrophobicContact CG-CD1 4Å; M147-Y163 HydrophobicContact CG-CD2 3.45Å; M147-Y163 VanDerWaalsContact CG-CD2 3.45Å; M147-Y163 HydrophobicContact CG-CE1 4.47Å; M147-Y163 HydrophobicContact CG-CE2 3.98Å; M147-Y163 HydrophobicContact CG-CG 3.47Å; M147-Y163 VanDerWaalsContact CG-CG 3.47Å; M147-Y163 HydrophobicContact SD-CD1 3.73Å; M147-Y163 HydrophobicContact SD-CD2 4.27Å; M147-Y163 HydrophobicContact SD-CE1 4.09Å; M147-Y163 HydrophobicContact SD-CG 3.83Å; E159-Y163 WeakPolarHBondContact O-CB 3.2Å; E159-Y163 PolarHBondContact O-N 2.93Å; V160-Y163 PolarHBondContact O-N 2.75Å; Y163-K165 VanDerWaalsContact C-N 3.31Å; Y163-K165 PolarHBondContact O-N 2.95Å; Y163-K166 PolarHBondContact O-N 2.85Å; Y163-E167 HydrophobicContact CD1-CG 4.41Å; Y163-E167 HydrophobicContact CE1-CG 3.87Å; Y163-E167 HydrophobicContact CE2-CG 4.23Å; Y163-E167 PolarHBondContact O-N 3.35Å
164	L	86.6	Confident	86.9	Confident	28 Å²	28	71.8 Å²	71.8	15%	0.147	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-43.1	178.4	-73.1	172.4	0	0	0	111.6	V160 K161 K166 E167 F168 L183 V184 I187	V160-L164 HydrophobicContact CG1-CD1 4.04Å; V160-L164 HydrophobicContact CG1-CG 4.45Å; V160-L164 WeakPolarHBondContact O-CB 3.49Å; V160-L164 WeakPolarHBondContact O-CG 3.27Å; V160-L164 PolarHBondContact O-N 3.4Å; K161-L164 PolarHBondContact O-N 3.14Å; L164-K166 PolarHBondContact O-N 3.48Å; L164-E167 PolarHBondContact O-N 2.96Å; L164-F168 WeakPolarHBondContact O-CD2 3.33Å; L164-F168 PolarHBondContact O-N 2.92Å; L164-L183 HydrophobicContact CD1-CD2 4.09Å; L164-L183 HydrophobicContact CD1-CG 4.4Å; L164-V184 HydrophobicContact CD1-CG2 3.83Å; L164-I187 HydrophobicContact CD1-CD1 4.05Å
165	K	87.1	Confident	85.7	Confident	102 Å²	102	71 Å²	71	44%	0.443	38%	0.375	S	S	.	.	H	α-helix	trans	-57.3	-48.9	176.2	-173.1	-176.2	-178.2	-159.8	0	111.5	K161 A162 Y163 E167 F168 E169 V175	K161-K165 WeakPolarHBondContact O-CB 3.25Å; K161-K165 PolarHBondContact O-N 2.82Å; A162-K165 PolarHBondContact O-N 2.79Å; Y163-K165 VanDerWaalsContact C-N 3.31Å; Y163-K165 PolarHBondContact O-N 2.95Å; K165-E167 PolarHBondContact O-N 3.37Å; K165-F168 PolarHBondContact O-N 3.06Å; K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 IonicContact NZ-OE1 3.75Å; K165-E169 WeakPolarHBondContact O-CG 3.33Å; K165-E169 PolarHBondContact O-N 2.83Å; K165-V175 HydrophobicContact CG-CG1 4.39Å; K165-V175 HydrophobicContact CG-CG2 4.32Å
166	K	86.9	Confident	84.9	Confident	143 Å²	143	74.5 Å²	74.5	62%	0.622	39%	0.394	S	S	*	.	H	α-helix	trans	-61.9	-42	179.5	-179.8	-179	173.6	-169.7	0	112.3	A162 Y163 L164 K170	A162-K166 PolarHBondContact O-N 2.99Å; A162-K166 VanDerWaalsContact O-N 3.11Å; Y163-K166 PolarHBondContact O-N 2.85Å; L164-K166 PolarHBondContact O-N 3.48Å; K166-K170 WeakPolarHBondContact O-CB 3.45Å; K166-K170 PolarHBondContact O-N 2.93Å
167	E	83.1	Confident	84.1	Confident	46 Å²	46	79.4 Å²	79.4	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-67.6	-39.2	178.4	-79.9	-64.1	116.1	0	0	112.2	Y163 L164 K165 K170 H171	Y163-E167 HydrophobicContact CD1-CG 4.41Å; Y163-E167 HydrophobicContact CE1-CG 3.87Å; Y163-E167 HydrophobicContact CE2-CG 4.23Å; Y163-E167 PolarHBondContact O-N 3.35Å; L164-E167 PolarHBondContact O-N 2.96Å; K165-E167 PolarHBondContact O-N 3.37Å; E167-K170 PolarHBondContact O-N 3.17Å; E167-K170 WeakPolarHBondContact OE1-CD 3.42Å; E167-K170 IonicContact OE1-NZ 3.37Å; E167-K170 PolarHBondContact OE1-NZ 3.28Å; E167-K170 IonicContact OE2-NZ 2.71Å; E167-H171 PolarHBondContact O-CD2 2.68Å; E167-H171 VanDerWaalsContact O-CD2 3.28Å; E167-H171 PolarHBondContact O-N 3.28Å
168	F	81.7	Confident	83.4	Confident	77 Å²	77	79.5 Å²	79.5	34%	0.338	42%	0.423	S	S	.	.	H	α-helix	trans	-65.3	-43.6	175	-85.9	-115	0	0	0	112.3	L164 K165 K170 H171 G172 A173 V175 H180	L164-F168 WeakPolarHBondContact O-CD2 3.33Å; L164-F168 PolarHBondContact O-N 2.92Å; K165-F168 PolarHBondContact O-N 3.06Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 2.79Å; F168-H171 CarbonylContact O-C 3.54Å; F168-H171 PolarHBondContact O-N 3.44Å; F168-G172 PolarHBondContact O-N 3.38Å; F168-A173 HydrophobicContact CB-CB 4.31Å; F168-A173 HydrophobicContact CD1-CB 3.84Å; F168-A173 HydrophobicContact CG-CB 4.45Å; F168-A173 PolarHBondContact O-N 3.31Å; F168-V175 HydrophobicContact CB-CG2 3.7Å; F168-H180 AromaticContact CD1-NE2 3.68Å; F168-H180 AromaticContact CD2-CE1 3.89Å; F168-H180 AromaticContact CE1-NE2 3.88Å; F168-H180 AromaticContact CG-CE1 3.73Å; F168-H180 AromaticContact CG-NE2 3.89Å
169	E	84	Confident	82.7	Confident	111 Å²	111	79.5 Å²	79.5	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-41.6	177.1	-74.6	174.9	177.1	0	0	111.9	K165 H171 G172 V175	K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 IonicContact NZ-OE1 3.75Å; K165-E169 WeakPolarHBondContact O-CG 3.33Å; K165-E169 PolarHBondContact O-N 2.83Å; E169-H171 PolarHBondContact O-N 3.32Å; E169-G172 PolarHBondContact O-N 3.46Å; E169-V175 HydrophobicContact CG-CG2 4.33Å
170	K	80.1	Confident	82.1	Confident	146 Å²	146	79.5 Å²	79.5	64%	0.635	42%	0.419	S	S	*	.	H	α-helix	trans	-60.7	-32.6	176.9	-175.8	-175.5	177.2	-170	0	112.9	K166 E167 F168	K166-K170 WeakPolarHBondContact O-CB 3.45Å; K166-K170 PolarHBondContact O-N 2.93Å; E167-K170 PolarHBondContact O-N 3.17Å; E167-K170 WeakPolarHBondContact OE1-CD 3.42Å; E167-K170 IonicContact OE1-NZ 3.37Å; E167-K170 PolarHBondContact OE1-NZ 3.28Å; E167-K170 IonicContact OE2-NZ 2.71Å; F168-K170 VanDerWaalsContact C-N 3.33Å; F168-K170 PolarHBondContact O-N 2.79Å
171	H	75.8	Confident	81.9	Confident	146 Å²	146	82 Å²	82	68%	0.676	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	6.5	176.9	-75	-72.5	0	0	0	113.9	E167 F168 E169 A173	E167-H171 PolarHBondContact O-CD2 2.68Å; E167-H171 VanDerWaalsContact O-CD2 3.28Å; E167-H171 PolarHBondContact O-N 3.28Å; F168-H171 CarbonylContact O-C 3.54Å; F168-H171 PolarHBondContact O-N 3.44Å; E169-H171 PolarHBondContact O-N 3.32Å; H171-A173 VanDerWaalsContact C-N 3.25Å; H171-A173 PolarHBondContact O-N 2.72Å
172	G	73	Confident	81.8	Confident	68 Å²	68	82 Å²	82	70%	0.701	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	19.5	177.8	0	0	0	0	0	114.1	F168 E169	F168-G172 PolarHBondContact O-N 3.38Å; E169-G172 PolarHBondContact O-N 3.46Å
173	A	75.8	Confident	81.6	Confident	44 Å²	44	83 Å²	83	36%	0.364	44%	0.441	S	S	.	.			trans	-84.2	136.8	176.1	0	0	0	0	0	110.5	F168 H171 V175	F168-A173 HydrophobicContact CB-CB 4.31Å; F168-A173 HydrophobicContact CD1-CB 3.84Å; F168-A173 HydrophobicContact CG-CB 4.45Å; F168-A173 PolarHBondContact O-N 3.31Å; H171-A173 VanDerWaalsContact C-N 3.25Å; H171-A173 PolarHBondContact O-N 2.72Å; A173-V175 PolarHBondContact O-N 2.81Å
174	V	74.5	Confident	81.6	Confident	143 Å²	143	80.9 Å²	80.9	87%	0.867	43%	0.432	S	S	*	.			trans	-72.5	118.4	174.1	176.8	0	0	0	0	108.9	N176	V174-N176 PolarHBondContact O-N 3.29Å
175	V	68.6	Low	81.9	Confident	43 Å²	43	83.5 Å²	83.5	26%	0.261	44%	0.444	S	S	.	.			trans	-75.9	114.1	176.5	171.9	0	0	0	0	109.3	K165 F168 E169 A173	K165-V175 HydrophobicContact CG-CG1 4.39Å; K165-V175 HydrophobicContact CG-CG2 4.32Å; F168-V175 HydrophobicContact CB-CG2 3.7Å; E169-V175 HydrophobicContact CG-CG2 4.33Å; A173-V175 PolarHBondContact O-N 2.81Å
176	N	79.8	Confident	82	Confident	76 Å²	76	83.9 Å²	83.9	41%	0.406	45%	0.451	S	S	.	.			trans	-92.5	114	164.6	-175.9	-7.1	0	0	0	108.6	V174 S178 H179 H180	V174-N176 PolarHBondContact O-N 3.29Å; N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 PolarHBondContact O-N 2.86Å; N176-S178 PolarHBondContact OD1-N 3.35Å; N176-S178 PolarHBondContact OD1-OG 3.19Å; N176-S178 VanDerWaalsContact OD1-OG 3.11Å; N176-H179 HydrophobicContact CB-CB 4.3Å; N176-H179 PolarHBondContact O-N 3.09Å; N176-H179 VanDerWaalsContact O-N 3.14Å; N176-H180 PolarHBondContact O-CD2 3.03Å; N176-H180 VanDerWaalsContact O-CD2 3.24Å; N176-H180 PolarHBondContact O-N 3.11Å; N176-H180 VanDerWaalsContact O-N 3.1Å
177	E	79.3	Confident	82.1	Confident	126 Å²	126	79.2 Å²	79.2	59%	0.589	43%	0.432	S	S	*	.	H	α-helix	trans	-59	-39.3	-172	-169.6	161.8	-160.5	0	0	113.1	K161 H179 H180 D181	K161-E177 IonicContact NZ-OE1 3.34Å; K161-E177 PolarHBondContact NZ-OE1 3.03Å; E177-H179 VanDerWaalsContact C-N 3.33Å; E177-H179 PolarHBondContact O-N 3.5Å; E177-H180 PolarHBondContact O-N 2.87Å; E177-D181 PolarHBondContact O-N 3.27Å
178	S	79.9	Confident	82.6	Confident	71 Å²	71	77.3 Å²	77.3	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-67.8	-32.3	179.4	61.6	0	0	0	0	113.4	N176 A182	N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 PolarHBondContact O-N 2.86Å; N176-S178 PolarHBondContact OD1-N 3.35Å; N176-S178 PolarHBondContact OD1-OG 3.19Å; N176-S178 VanDerWaalsContact OD1-OG 3.11Å; S178-A182 WeakPolarHBondContact O-CB 3.29Å; S178-A182 PolarHBondContact O-N 3.41Å
179	H	81.2	Confident	83	Confident	129 Å²	129	78.9 Å²	78.9	60%	0.597	44%	0.435	S	S	*	.	H	α-helix	trans	-74.5	-32.7	175.2	-68.7	-175	0	0	0	111.4	N176 E177 L183	N176-H179 HydrophobicContact CB-CB 4.3Å; N176-H179 PolarHBondContact O-N 3.09Å; N176-H179 VanDerWaalsContact O-N 3.14Å; E177-H179 VanDerWaalsContact C-N 3.33Å; E177-H179 PolarHBondContact O-N 3.5Å; H179-L183 VanDerWaalsContact O-CB 3.31Å; H179-L183 WeakPolarHBondContact O-CB 3.33Å; H179-L183 PolarHBondContact O-N 2.87Å
180	H	82.4	Confident	83.1	Confident	10 Å²	10	80.6 Å²	80.6	5%	0.046	44%	0.441	C	S	.	.	H	α-helix	trans	-69	-42.7	175.8	-80.9	-127.5	0	0	0	111.2	F168 N176 E177 L183 V184	F168-H180 AromaticContact CD1-NE2 3.68Å; F168-H180 AromaticContact CD2-CE1 3.89Å; F168-H180 AromaticContact CE1-NE2 3.88Å; F168-H180 AromaticContact CG-CE1 3.73Å; F168-H180 AromaticContact CG-NE2 3.89Å; N176-H180 PolarHBondContact O-CD2 3.03Å; N176-H180 VanDerWaalsContact O-CD2 3.24Å; N176-H180 PolarHBondContact O-N 3.11Å; N176-H180 VanDerWaalsContact O-N 3.1Å; E177-H180 PolarHBondContact O-N 2.87Å; H180-L183 PolarHBondContact O-N 3.26Å; H180-V184 VanDerWaalsContact O-CG2 3.3Å; H180-V184 WeakPolarHBondContact O-CG2 3.39Å; H180-V184 PolarHBondContact O-N 3.1Å
181	D	87.7	Confident	83.4	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.342	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-46.4	177.2	-69.6	-17.7	0	0	0	111.3	K161 E177 L183 V184 E185	K161-D181 WeakPolarHBondContact CD-OD1 3.45Å; K161-D181 WeakPolarHBondContact CE-OD1 3.48Å; K161-D181 IonicContact NZ-OD1 3.53Å; K161-D181 PolarHBondContact NZ-OD1 3.42Å; K161-D181 IonicContact NZ-OD2 3.87Å; E177-D181 PolarHBondContact O-N 3.27Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.14Å; D181-V184 PolarHBondContact O-N 3.26Å; D181-E185 WeakPolarHBondContact O-CG 3.1Å; D181-E185 PolarHBondContact O-N 3.26Å
182	A	88.9	Confident	84.2	Confident	53 Å²	53	68.8 Å²	68.8	44%	0.438	39%	0.389	S	S	.	.	H	α-helix	trans	-60	-41.8	176.1	0	0	0	0	0	112.4	S178 V184 E185 D186	S178-A182 WeakPolarHBondContact O-CB 3.29Å; S178-A182 PolarHBondContact O-N 3.41Å; A182-V184 PolarHBondContact O-N 3.01Å; A182-E185 PolarHBondContact O-N 2.86Å; A182-D186 PolarHBondContact O-N 3.48Å
183	L	87.1	Confident	85	Confident	67 Å²	67	71.6 Å²	71.6	35%	0.351	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.9	177.2	61.9	0	0	0	112.1	L164 H179 H180 D181 D186 I187	L164-L183 HydrophobicContact CD1-CD2 4.09Å; L164-L183 HydrophobicContact CD1-CG 4.4Å; H179-L183 VanDerWaalsContact O-CB 3.31Å; H179-L183 WeakPolarHBondContact O-CB 3.33Å; H179-L183 PolarHBondContact O-N 2.87Å; H180-L183 PolarHBondContact O-N 3.26Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.14Å; L183-D186 PolarHBondContact O-N 3.47Å; L183-I187 HydrophobicContact CD1-CD1 4.3Å; L183-I187 HydrophobicContact CD1-CG1 4.47Å; L183-I187 HydrophobicContact CG-CD1 4.07Å; L183-I187 WeakPolarHBondContact O-CD1 3.35Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.47Å
184	V	90.9	Very high	85.8	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.03	39%	0.393	C	S	.	.	H	α-helix	trans	-65.2	-42.6	177.4	172.4	0	0	0	0	110.6	K157 V160 K161 L164 H180 D181 A182 I187 F188	K157-V184 HydrophobicContact CB-CG1 3.92Å; K157-V184 HydrophobicContact CG-CG1 4.08Å; V160-V184 HydrophobicContact CG1-CG2 4.34Å; K161-V184 HydrophobicContact CB-CG2 4.05Å; L164-V184 HydrophobicContact CD1-CG2 3.83Å; H180-V184 VanDerWaalsContact O-CG2 3.3Å; H180-V184 WeakPolarHBondContact O-CG2 3.39Å; H180-V184 PolarHBondContact O-N 3.1Å; D181-V184 PolarHBondContact O-N 3.26Å; A182-V184 PolarHBondContact O-N 3.01Å; V184-I187 WeakPolarHBondContact O-CB 3.39Å; V184-I187 PolarHBondContact O-N 2.92Å; V184-F188 HydrophobicContact CG1-CD2 4.02Å; V184-F188 HydrophobicContact CG1-CE2 4.03Å; V184-F188 VanDerWaalsContact O-CD2 3.28Å; V184-F188 WeakPolarHBondContact O-CD2 3.33Å; V184-F188 PolarHBondContact O-N 3.37Å
185	E	92	Very high	86.8	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-48.6	174.7	-68	-60.4	141.8	0	0	111.8	K157 D181 A182 I187 F188 D189	K157-E185 WeakPolarHBondContact CD-OE1 3.25Å; K157-E185 WeakPolarHBondContact CE-OE1 3.17Å; K157-E185 IonicContact NZ-OE1 3.62Å; K157-E185 PolarHBondContact NZ-OE1 3.23Å; K157-E185 IonicContact NZ-OE2 3.99Å; K157-E185 PolarHBondContact NZ-OE2 3.48Å; D181-E185 WeakPolarHBondContact O-CG 3.1Å; D181-E185 PolarHBondContact O-N 3.26Å; A182-E185 PolarHBondContact O-N 2.86Å; E185-I187 PolarHBondContact O-N 2.98Å; E185-F188 PolarHBondContact O-N 3.5Å; E185-F188 VanDerWaalsContact O-N 3.1Å; E185-D189 PolarHBondContact O-N 3.44Å
186	D	89.4	Confident	88	Confident	109 Å²	109	75.4 Å²	75.4	58%	0.583	39%	0.386	S	S	*	.	H	α-helix	trans	-59.2	-36	177.7	-74.7	-12.1	0	0	0	112.4	A182 L183 K190	A182-D186 PolarHBondContact O-N 3.48Å; L183-D186 PolarHBondContact O-N 3.47Å; D186-K190 PolarHBondContact O-N 3Å
187	I	88.9	Confident	88.7	Confident	46 Å²	46	73.3 Å²	73.3	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-53	174.1	-72	164.4	0	0	0	109.6	V160 L164 L183 V184 E185 D189 K190 E191 I199	V160-I187 HydrophobicContact CG1-CD1 4.36Å; L164-I187 HydrophobicContact CD1-CD1 4.05Å; L183-I187 HydrophobicContact CD1-CD1 4.3Å; L183-I187 HydrophobicContact CD1-CG1 4.47Å; L183-I187 HydrophobicContact CG-CD1 4.07Å; L183-I187 WeakPolarHBondContact O-CD1 3.35Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.47Å; V184-I187 WeakPolarHBondContact O-CB 3.39Å; V184-I187 PolarHBondContact O-N 2.92Å; E185-I187 PolarHBondContact O-N 2.98Å; I187-D189 VanDerWaalsContact C-N 3.34Å; I187-D189 PolarHBondContact O-N 3.5Å; I187-K190 PolarHBondContact O-N 3.03Å; I187-K190 VanDerWaalsContact O-N 3.14Å; I187-E191 HydrophobicContact CG2-CG 3.93Å; I187-E191 WeakPolarHBondContact O-CB 3.37Å; I187-E191 WeakPolarHBondContact O-CG 3.47Å; I187-E191 PolarHBondContact O-N 3.02Å; I187-I199 HydrophobicContact CG2-CD1 3.89Å
188	F	93.1	Very high	89.5	Confident	5 Å²	5	70.1 Å²	70.1	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-65.1	-38.5	-177.1	-83.9	-111.2	0	0	0	111.7	L155 S156 K157 V160 V184 E185 K190 E191 D192 G197 I199	L155-F188 WeakPolarHBondContact O-CZ 3.43Å; S156-F188 VanDerWaalsContact C-CZ 3.48Å; K157-F188 HydrophobicContact CB-CE2 4.32Å; K157-F188 HydrophobicContact CB-CZ 4.21Å; K157-F188 HydrophobicContact CD-CD1 4.47Å; K157-F188 HydrophobicContact CD-CG 4.49Å; K157-F188 HydrophobicContact CG-CD1 3.74Å; K157-F188 HydrophobicContact CG-CD2 3.86Å; K157-F188 HydrophobicContact CG-CE1 3.6Å; K157-F188 HydrophobicContact CG-CE2 3.74Å; K157-F188 HydrophobicContact CG-CG 3.86Å; K157-F188 HydrophobicContact CG-CZ 3.63Å; K157-F188 VanDerWaalsContact N-CZ 3.32Å; V160-F188 HydrophobicContact CB-CE2 4.04Å; V160-F188 HydrophobicContact CG1-CE2 4.43Å; V160-F188 HydrophobicContact CG2-CE2 3.76Å; V160-F188 HydrophobicContact CG2-CZ 4.01Å; V184-F188 HydrophobicContact CG1-CD2 4.02Å; V184-F188 HydrophobicContact CG1-CE2 4.03Å; V184-F188 VanDerWaalsContact O-CD2 3.28Å; V184-F188 WeakPolarHBondContact O-CD2 3.33Å; V184-F188 PolarHBondContact O-N 3.37Å; E185-F188 PolarHBondContact O-N 3.5Å; E185-F188 VanDerWaalsContact O-N 3.1Å; F188-K190 PolarHBondContact O-N 2.96Å; F188-K190 VanDerWaalsContact O-N 3.09Å; F188-E191 PolarHBondContact O-N 3.11Å; F188-D192 HydrophobicContact CD1-CB 4.4Å; F188-D192 WeakPolarHBondContact O-CB 3.4Å; F188-D192 PolarHBondContact O-N 3.35Å; F188-G197 WeakPolarHBondContact CE1-O 3.47Å; F188-I199 HydrophobicContact CD1-CD1 4.34Å; F188-I199 HydrophobicContact CD1-CG1 4.1Å; F188-I199 HydrophobicContact CD2-CD1 3.91Å; F188-I199 HydrophobicContact CE1-CD1 4.18Å; F188-I199 HydrophobicContact CE1-CG1 3.9Å; F188-I199 HydrophobicContact CE2-CD1 3.74Å; F188-I199 HydrophobicContact CE2-CG1 4.37Å; F188-I199 HydrophobicContact CG-CD1 4.22Å; F188-I199 HydrophobicContact CG-CG1 4.43Å; F188-I199 HydrophobicContact CZ-CD1 3.86Å; F188-I199 HydrophobicContact CZ-CG1 4.03Å
189	D	90.4	Very high	90.1	Very high	111 Å²	111	67 Å²	67	59%	0.594	34%	0.344	S	S	*	.	H	α-helix	trans	-55.9	-33.2	176	-83.2	-13.6	0	0	0	112.9	E185 I187 K195	E185-D189 PolarHBondContact O-N 3.44Å; I187-D189 VanDerWaalsContact C-N 3.34Å; I187-D189 PolarHBondContact O-N 3.5Å; D189-K195 PolarHBondContact O-NZ 2.67Å
190	K	86.6	Confident	90.6	Very high	147 Å²	147	62.4 Å²	62.4	64%	0.639	33%	0.327	S	S	*	.	H	α-helix	trans	-93.4	-34.3	-178.6	-167.9	-179.4	177.9	-178.8	0	114.3	D186 I187 F188 K207	D186-K190 PolarHBondContact O-N 3Å; I187-K190 PolarHBondContact O-N 3.03Å; I187-K190 VanDerWaalsContact O-N 3.14Å; F188-K190 PolarHBondContact O-N 2.96Å; F188-K190 VanDerWaalsContact O-N 3.09Å; K190-K207 PolarHBondContact O-NZ 3.45Å
191	E	86.9	Confident	90.8	Very high	33 Å²	33	63.1 Å²	63.1	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-102.2	-29.2	-169.1	-52	-61.4	117.1	0	0	113.6	R139 I187 F188 E193 I199 K207	R139-E191 IonicContact NH1-OE2 2.66Å; I187-E191 HydrophobicContact CG2-CG 3.93Å; I187-E191 WeakPolarHBondContact O-CB 3.37Å; I187-E191 WeakPolarHBondContact O-CG 3.47Å; I187-E191 PolarHBondContact O-N 3.02Å; F188-E191 PolarHBondContact O-N 3.11Å; E191-E193 PolarHBondContact O-N 3.2Å; E191-I199 HydrophobicContact CB-CD1 3.76Å; E191-I199 HydrophobicContact CB-CG1 4.14Å; E191-I199 HydrophobicContact CB-CG2 4.45Å; E191-I199 HydrophobicContact CG-CD1 4.49Å; E191-K207 WeakPolarHBondContact OE1-CE 3.49Å; E191-K207 IonicContact OE1-NZ 2.73Å; E191-K207 PolarHBondContact OE1-NZ 3.39Å; E191-K207 WeakPolarHBondContact OE2-CE 3.18Å; E191-K207 IonicContact OE2-NZ 3.22Å; E191-K207 PolarHBondContact OE2-NZ 3.11Å; E191-K207 VanDerWaalsContact OE2-NZ 3.13Å
192	D	92.1	Very high	90.6	Very high	10 Å²	10	68.4 Å²	68.4	5%	0.053	35%	0.349	C	S	.	.			trans	-78	100.8	171.8	174.8	1.1	0	0	0	108.1	F188 K195 D196 G197 F198 I199	F188-D192 HydrophobicContact CD1-CB 4.4Å; F188-D192 WeakPolarHBondContact O-CB 3.4Å; F188-D192 PolarHBondContact O-N 3.35Å; D192-K195 WeakPolarHBondContact O-CD 3.48Å; D192-K195 VanDerWaalsContact O-CE 3.25Å; D192-K195 WeakPolarHBondContact O-CE 3.28Å; D192-K195 PolarHBondContact O-NZ 3.01Å; D192-K195 WeakPolarHBondContact OD1-CA 3.2Å; D192-K195 PolarHBondContact OD1-N 3.22Å; D192-K195 WeakPolarHBondContact OD2-CA 3.28Å; D192-D196 PolarHBondContact OD1-N 3Å; D192-G197 VanDerWaalsContact OD2-CA 3.29Å; D192-G197 WeakPolarHBondContact OD2-CA 3.49Å; D192-G197 PolarHBondContact OD2-N 2.99Å; D192-F198 WeakPolarHBondContact CB-O 3.22Å; D192-F198 VanDerWaalsContact CG-O 3.31Å; D192-I199 HydrophobicContact CB-CG1 4.5Å
193	E	90.2	Very high	90.5	Very high	127 Å²	127	66.4 Å²	66.4	59%	0.593	33%	0.331	S	S	*	.	S	Bend	trans	-84.1	-38.5	-172.8	-169.1	178.3	173.8	0	0	110.9	E191 E203	E191-E193 PolarHBondContact O-N 3.2Å; E193-E203 HydrophobicContact CB-CG 4.23Å; E193-E203 WeakPolarHBondContact CB-OE1 3.07Å; E193-E203 PolarHBondContact N-OE1 3.19Å
194	D	92.9	Very high	90.3	Very high	105 Å²	105	64.2 Å²	64.2	56%	0.561	32%	0.318	S	S	*	.	S	Bend	trans	-90	-4.6	-178.3	74	13.5	0	0	0	114.7	D196 E203	D194-D196 VanDerWaalsContact C-N 3.29Å; D194-D196 PolarHBondContact O-N 3.04Å; D194-D196 VanDerWaalsContact OD1-CB 3.27Å; D194-D196 WeakPolarHBondContact OD1-CB 3.23Å; D194-D196 VanDerWaalsContact OD1-CG 3.28Å; D194-D196 PolarHBondContact OD1-N 2.76Å; D194-D196 VanDerWaalsContact OD1-N 3.11Å; D194-E203 PolarHBondContact N-OE1 3.14Å
195	K	94.1	Very high	89.3	Confident	124 Å²	124	66 Å²	66	54%	0.539	33%	0.329	S	S	.	.			trans	62.4	32.3	176.2	-54.5	-57.7	-179.4	-164.6	0	113.1	D189 D192 G197	D189-K195 PolarHBondContact O-NZ 2.67Å; D192-K195 WeakPolarHBondContact O-CD 3.48Å; D192-K195 VanDerWaalsContact O-CE 3.25Å; D192-K195 WeakPolarHBondContact O-CE 3.28Å; D192-K195 PolarHBondContact O-NZ 3.01Å; D192-K195 WeakPolarHBondContact OD1-CA 3.2Å; D192-K195 PolarHBondContact OD1-N 3.22Å; D192-K195 WeakPolarHBondContact OD2-CA 3.28Å; K195-G197 VanDerWaalsContact C-N 3.28Å
196	D	94.6	Very high	88.1	Confident	82 Å²	82	68.9 Å²	68.9	44%	0.439	34%	0.338	S	S	.	.	S	Bend	trans	-81.7	-6.2	175.3	86.3	-11.5	0	0	0	113.7	D192 D194 F198	D192-D196 PolarHBondContact OD1-N 3Å; D194-D196 VanDerWaalsContact C-N 3.29Å; D194-D196 PolarHBondContact O-N 3.04Å; D194-D196 VanDerWaalsContact OD1-CB 3.27Å; D194-D196 WeakPolarHBondContact OD1-CB 3.23Å; D194-D196 VanDerWaalsContact OD1-CG 3.28Å; D194-D196 PolarHBondContact OD1-N 2.76Å; D194-D196 VanDerWaalsContact OD1-N 3.11Å; D196-F198 WeakPolarHBondContact O-CD2 3.15Å; D196-F198 WeakPolarHBondContact OD1-CA 3.35Å; D196-F198 WeakPolarHBondContact OD1-CB 3.36Å; D196-F198 PolarHBondContact OD1-N 3.36Å
197	G	94.3	Very high	86.9	Confident	32 Å²	32	65.5 Å²	65.5	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	88.1	7.8	-179.6	0	0	0	0	0	114.2	F188 D192 K195	F188-G197 WeakPolarHBondContact CE1-O 3.47Å; D192-G197 VanDerWaalsContact OD2-CA 3.29Å; D192-G197 WeakPolarHBondContact OD2-CA 3.49Å; D192-G197 PolarHBondContact OD2-N 2.99Å; K195-G197 VanDerWaalsContact C-N 3.28Å
198	F	95.7	Very high	85	Confident	59 Å²	59	68.4 Å²	68.4	26%	0.259	33%	0.33	S	S	.	.	S	Bend	trans	-125.7	163.4	176.4	-58.7	-92.4	0	0	0	110.6	K154 L155 D192 D196	K154-F198 HydrophobicContact CB-CB 4.06Å; K154-F198 HydrophobicContact CD-CB 3.97Å; K154-F198 HydrophobicContact CD-CD1 3.77Å; K154-F198 HydrophobicContact CD-CD2 4.24Å; K154-F198 HydrophobicContact CD-CE1 4.34Å; K154-F198 HydrophobicContact CD-CG 3.72Å; K154-F198 HydrophobicContact CG-CB 4.32Å; K154-F198 HydrophobicContact CG-CD1 4.09Å; K154-F198 HydrophobicContact CG-CG 4.33Å; L155-F198 WeakPolarHBondContact O-CA 3.3Å; D192-F198 WeakPolarHBondContact CB-O 3.22Å; D192-F198 VanDerWaalsContact CG-O 3.31Å; D196-F198 WeakPolarHBondContact O-CD2 3.15Å; D196-F198 WeakPolarHBondContact OD1-CA 3.35Å; D196-F198 WeakPolarHBondContact OD1-CB 3.36Å; D196-F198 PolarHBondContact OD1-N 3.36Å
199	I	92.9	Very high	82.7	Confident	5 Å²	5	73 Å²	73	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.3	167.4	-58.9	167.1	0	0	0	107.2	K154 L155 I187 F188 E191 D192 E203 F204	K154-I199 CarbonylContact C-O 3.56Å; K154-I199 WeakPolarHBondContact CA-O 3.31Å; L155-I199 HydrophobicContact CB-CB 4.28Å; L155-I199 PolarHBondContact N-O 3.22Å; L155-I199 PolarHBondContact O-N 3.45Å; I187-I199 HydrophobicContact CG2-CD1 3.89Å; F188-I199 HydrophobicContact CD1-CD1 4.34Å; F188-I199 HydrophobicContact CD1-CG1 4.1Å; F188-I199 HydrophobicContact CD2-CD1 3.91Å; F188-I199 HydrophobicContact CE1-CD1 4.18Å; F188-I199 HydrophobicContact CE1-CG1 3.9Å; F188-I199 HydrophobicContact CE2-CD1 3.74Å; F188-I199 HydrophobicContact CE2-CG1 4.37Å; F188-I199 HydrophobicContact CG-CD1 4.22Å; F188-I199 HydrophobicContact CG-CG1 4.43Å; F188-I199 HydrophobicContact CZ-CD1 3.86Å; F188-I199 HydrophobicContact CZ-CG1 4.03Å; E191-I199 HydrophobicContact CB-CD1 3.76Å; E191-I199 HydrophobicContact CB-CG1 4.14Å; E191-I199 HydrophobicContact CB-CG2 4.45Å; E191-I199 HydrophobicContact CG-CD1 4.49Å; D192-I199 HydrophobicContact CB-CG1 4.5Å; I199-E203 HydrophobicContact CG2-CB 3.98Å; I199-F204 HydrophobicContact CG2-CB 4.07Å
200	S	91.8	Very high	80.1	Confident	33 Å²	33	75.9 Å²	75.9	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	159.2	178	68.7	0	0	0	0	112	R202 E203 F204	S200-R202 PolarHBondContact O-N 3.04Å; S200-R202 PolarHBondContact OG-N 2.96Å; S200-E203 WeakPolarHBondContact CB-OE2 3.34Å; S200-E203 PolarHBondContact N-OE2 3.3Å; S200-E203 PolarHBondContact O-N 3.1Å; S200-E203 VanDerWaalsContact O-N 3.14Å; S200-E203 WeakPolarHBondContact OG-CG 3.48Å; S200-E203 PolarHBondContact OG-N 3.49Å; S200-E203 PolarHBondContact OG-OE2 3.19Å; S200-F204 WeakPolarHBondContact O-CB 3.49Å; S200-F204 PolarHBondContact O-N 3.32Å
201	A	86.4	Confident	77.6	Confident	24 Å²	24	79.4 Å²	79.4	20%	0.198	39%	0.389	C	S	.	.	H	α-helix	trans	-54.1	-28.3	172.2	0	0	0	0	0	113.1	F144 W153 T205	F144-A201 HydrophobicContact CE1-CB 4.07Å; F144-A201 HydrophobicContact CE2-CB 4.02Å; F144-A201 HydrophobicContact CZ-CB 3.77Å; W153-A201 HydrophobicContact CE3-CB 4.34Å; W153-A201 PolarHBondContact O-N 3.4Å; W153-A201 VanDerWaalsContact O-N 3.12Å; A201-T205 WeakPolarHBondContact O-CB 3.44Å; A201-T205 PolarHBondContact O-N 2.96Å; A201-T205 PolarHBondContact O-OG1 3.32Å
202	R	83.4	Confident	77.2	Confident	175 Å²	175	81.7 Å²	81.7	66%	0.66	40%	0.401	S	S	*	.	H	α-helix	trans	-70.8	-52.3	176.7	-179.1	-178.9	174.9	135	-0.1	111.2	S200 F204 T205 Y206	S200-R202 PolarHBondContact O-N 3.04Å; S200-R202 PolarHBondContact OG-N 2.96Å; R202-F204 VanDerWaalsContact C-N 3.29Å; R202-F204 PolarHBondContact O-N 3.24Å; R202-T205 PolarHBondContact O-N 3.4Å; R202-Y206 PolarHBondContact O-N 3.37Å
203	E	86.3	Confident	76.4	Confident	12 Å²	12	85.5 Å²	85.5	6%	0.056	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-38.8	179.3	-71.2	159.5	131.7	0	0	111.5	E193 D194 I199 S200 T205	E193-E203 HydrophobicContact CB-CG 4.23Å; E193-E203 WeakPolarHBondContact CB-OE1 3.07Å; E193-E203 PolarHBondContact N-OE1 3.19Å; D194-E203 PolarHBondContact N-OE1 3.14Å; I199-E203 HydrophobicContact CG2-CB 3.98Å; S200-E203 WeakPolarHBondContact CB-OE2 3.34Å; S200-E203 PolarHBondContact N-OE2 3.3Å; S200-E203 PolarHBondContact O-N 3.1Å; S200-E203 VanDerWaalsContact O-N 3.14Å; S200-E203 WeakPolarHBondContact OG-CG 3.48Å; S200-E203 PolarHBondContact OG-N 3.49Å; S200-E203 PolarHBondContact OG-OE2 3.19Å; E203-T205 VanDerWaalsContact C-N 3.29Å; E203-T205 PolarHBondContact O-N 2.66Å
204	F	83.3	Confident	75.6	Confident	20 Å²	20	83.2 Å²	83.2	9%	0.088	41%	0.41	C	S	.	.	H	α-helix	trans	-61	-38.2	175.3	-175.1	-99.5	0	0	0	112.9	P138 R139 F144 M147 L155 I199 S200 R202	P138-F204 WeakPolarHBondContact O-CZ 3.35Å; R139-F204 VanDerWaalsContact C-CE1 3.49Å; R139-F204 VanDerWaalsContact CA-CE1 3.45Å; R139-F204 HydrophobicContact CB-CE1 4.01Å; R139-F204 HydrophobicContact CB-CZ 4.09Å; R139-F204 HydrophobicContact CG-CE1 4.38Å; R139-F204 HydrophobicContact CG-CE2 4.19Å; R139-F204 HydrophobicContact CG-CZ 4.02Å; F144-F204 HydrophobicContact CB-CD1 3.9Å; F144-F204 HydrophobicContact CB-CE1 3.68Å; F144-F204 HydrophobicContact CB-CZ 4.34Å; F144-F204 HydrophobicContact CD2-CB 3.8Å; F144-F204 AromaticContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD1 3.54Å; F144-F204 HydrophobicContact CD2-CD2 4.14Å; F144-F204 HydrophobicContact CD2-CE1 4.06Å; F144-F204 AromaticContact CD2-CG 3.56Å; F144-F204 HydrophobicContact CD2-CG 3.56Å; F144-F204 HydrophobicContact CE2-CB 4.01Å; F144-F204 HydrophobicContact CE2-CG 4.22Å; F144-F204 HydrophobicContact CG-CD1 4.17Å; F144-F204 HydrophobicContact CG-CE1 4.38Å; M147-F204 HydrophobicContact CE-CD2 4.2Å; M147-F204 HydrophobicContact CE-CE1 4.35Å; M147-F204 HydrophobicContact CE-CE2 3.18Å; M147-F204 HydrophobicContact CE-CZ 3.25Å; L155-F204 HydrophobicContact CD1-CD2 3.78Å; L155-F204 HydrophobicContact CD1-CE2 4.07Å; L155-F204 HydrophobicContact CD1-CG 4.48Å; I199-F204 HydrophobicContact CG2-CB 4.07Å; S200-F204 WeakPolarHBondContact O-CB 3.49Å; S200-F204 PolarHBondContact O-N 3.32Å; R202-F204 VanDerWaalsContact C-N 3.29Å; R202-F204 PolarHBondContact O-N 3.24Å
205	T	71.1	Confident	74.6	Confident	43 Å²	43	81.9 Å²	81.9	26%	0.264	40%	0.401	S	S	.	.	H	α-helix	trans	-88	-36.5	-174.5	-55.6	0	0	0	0	112.8	A201 R202 E203	A201-T205 WeakPolarHBondContact O-CB 3.44Å; A201-T205 PolarHBondContact O-N 2.96Å; A201-T205 PolarHBondContact O-OG1 3.32Å; R202-T205 PolarHBondContact O-N 3.4Å; E203-T205 VanDerWaalsContact C-N 3.29Å; E203-T205 PolarHBondContact O-N 2.66Å
206	Y	66	Low	73.4	Confident	144 Å²	144	79.3 Å²	79.3	57%	0.565	39%	0.392	S	S	*	.			trans	-117.6	113	-170.7	-70.3	-82.4	0	0	0	111	R202	R202-Y206 PolarHBondContact O-N 3.37Å
207	K	63.5	Low	72	Confident	38 Å²	38	79.1 Å²	79.1	17%	0.165	39%	0.389	C	S	.	.			trans	-90.9	117.3	163	-84.5	-76.2	173.6	-171.9	0	110	K190 E191	K190-K207 PolarHBondContact O-NZ 3.45Å; E191-K207 WeakPolarHBondContact OE1-CE 3.49Å; E191-K207 IonicContact OE1-NZ 2.73Å; E191-K207 PolarHBondContact OE1-NZ 3.39Å; E191-K207 WeakPolarHBondContact OE2-CE 3.18Å; E191-K207 IonicContact OE2-NZ 3.22Å; E191-K207 PolarHBondContact OE2-NZ 3.11Å; E191-K207 VanDerWaalsContact OE2-NZ 3.13Å
208	H	50.1	Low	70.4	Confident	108 Å²	108	82.4 Å²	82.4	50%	0.5	39%	0.393	S	S	.	.			trans	-94.5	89.6	158.4	-67.9	-51.2	0	0	0	107.9	E210	H208-E210 HydrophobicContact CB-CG 4.28Å; H208-E210 PolarHBondContact O-N 3.41Å
209	D	43.4	Very low	68.4	Low	101 Å²	101	84.2 Å²	84.2	54%	0.54	40%	0.404	S	S	.	.			trans	-74.1	86.7	154.5	-73.9	-13.9	0	0	0	105.7	L82	L82-D209 HydrophobicContact CD1-CB 3.99Å
210	E	37.4	Very low	66.4	Low	171 Å²	171	90.8 Å²	90.8	80%	0.799	44%	0.435	S	S	*	.			trans	-59.9	138.3	163.8	-64.2	-166.8	164.2	0	0	108.5	H208	H208-E210 HydrophobicContact CB-CG 4.28Å; H208-E210 PolarHBondContact O-N 3.41Å
211	L	34.3	Very low	64.1	Low	221 Å²	221	96.1 Å²	96.1	100%	1.157	45%	0.454	S	S	*	.			trans	-48.4	0	-167.7	-75.5	157.3	0	0	0	115.9

Retrieved 211 of 211 residues in 140.5 ms (Link to these results)

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