A0A096NRM4_PAPAN Loading...

Protease-associated domain-containing protein 1

Plays a role in the modulation of physical activity and adiposity.

AlphaFold DB (A0A2R9BKW2), UniProt , Accession A0A096NRM4, Species PAPAN (Papio anubis, Olive baboon), Gene PRADC1, Length 188 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	36.2	Very low	41.5	Very low	248 Å²	248	134.4 Å²	134.4	100%	1.222	85%	0.845	S	S	*	*				0	116.1	0	-79.9	170.1	-177.1	0	0	107.8
2	V	39.9	Very low	42.5	Very low	138 Å²	138	132.6 Å²	132.6	84%	0.836	83%	0.831	S	S	*	*			trans	-74.1	161.6	164.1	-154.4	0	0	0	0	105.9
3	P	49	Very low	43	Very low	126 Å²	126	133.8 Å²	133.8	82%	0.818	83%	0.827	S	S	*	*			cis	-151	178.3	28.4	42.5	-20.2	0	0	0	118.5
4	G	31.7	Very low	43.3	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	83%	0.831	S	S	*	*			trans	136.7	133.9	159.2	0	0	0	0	0	112.1
5	A	39.8	Very low	44	Very low	101 Å²	101	141.6 Å²	141.6	84%	0.835	83%	0.829	S	S	*	*			cis	-159.8	151.7	-5.1	0	0	0	0	0	105.9	G7	A5-G7 PolarHBondContact O-N 2.97Å
6	A	45	Very low	44.3	Very low	91 Å²	91	139 Å²	139	75%	0.752	82%	0.818	S	S	*	*			trans	-63.1	120.2	-179.5	0	0	0	0	0	111.7
7	G	38.2	Very low	44.8	Very low	74 Å²	74	135.9 Å²	135.9	76%	0.763	81%	0.811	S	S	*	*			trans	-92.6	104	168.6	0	0	0	0	0	109.9	A5 C9	A5-G7 PolarHBondContact O-N 2.97Å; G7-C9 PolarHBondContact O-N 2.67Å
8	W	46	Very low	45	Very low	235 Å²	235	134.9 Å²	134.9	89%	0.89	81%	0.811	S	S	*	*			trans	-70.3	108	168.1	-74.6	16	0	0	0	108.8	C10	W8-C10 PolarHBondContact O-N 2.9Å; W8-C10 VanDerWaalsContact O-N 3.16Å
9	C	40.3	Very low	45.4	Very low	124 Å²	124	134.3 Å²	134.3	84%	0.838	81%	0.807	S	S	*	*			trans	-74.2	98.3	167.5	-92.6	0	0	0	0	109	G7 L11	G7-C9 PolarHBondContact O-N 2.67Å; C9-L11 PolarHBondContact O-N 3.06Å
10	C	44.3	Very low	45.5	Very low	109 Å²	109	131.2 Å²	131.2	74%	0.736	80%	0.796	S	S	*	*			trans	-64	99.9	162	-77.4	0	0	0	0	109	W8 V12	W8-C10 PolarHBondContact O-N 2.9Å; W8-C10 VanDerWaalsContact O-N 3.16Å; C10-V12 VanDerWaalsContact C-N 3.3Å; C10-V12 PolarHBondContact O-N 3.39Å
11	L	46.6	Very low	45.5	Very low	156 Å²	156	129.1 Å²	129.1	82%	0.817	79%	0.794	S	S	*	*			trans	-65.6	91	162	-95.8	144.8	0	0	0	108.4	C9 L13	C9-L11 PolarHBondContact O-N 3.06Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.95Å; L11-L13 VanDerWaalsContact O-N 3.07Å
12	V	52.6	Low	45.9	Very low	113 Å²	113	125.4 Å²	125.4	69%	0.685	77%	0.773	S	S	*	*			trans	-74.1	93.8	166.6	-179.5	0	0	0	0	106.9	C10 W14	C10-V12 VanDerWaalsContact C-N 3.3Å; C10-V12 PolarHBondContact O-N 3.39Å; V12-W14 PolarHBondContact O-N 3.23Å
13	L	49.2	Very low	45.6	Very low	149 Å²	149	121.8 Å²	121.8	78%	0.78	76%	0.764	S	S	*	*			trans	-65	101.3	169.1	-81.8	158.7	0	0	0	108.6	L11 L15	L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.95Å; L11-L13 VanDerWaalsContact O-N 3.07Å; L13-L15 PolarHBondContact O-N 3.22Å
14	W	47	Very low	44.9	Very low	231 Å²	231	125.5 Å²	125.5	88%	0.875	77%	0.767	S	S	*	*			trans	-68.6	93.3	166.8	-110.2	65.4	0	0	0	108.7	V12 P16	V12-W14 PolarHBondContact O-N 3.23Å; W14-P16 WeakPolarHBondContact O-CD 3.26Å
15	L	53.9	Low	45.3	Very low	153 Å²	153	127.8 Å²	127.8	80%	0.801	75%	0.752	S	S	*	*			trans	-76.9	119.5	160.6	-83.6	146.7	0	0	0	107.2	L13 A17	L13-L15 PolarHBondContact O-N 3.22Å; L15-A17 PolarHBondContact O-N 3.32Å
16	P	48.7	Very low	45.5	Very low	100 Å²	100	129.5 Å²	129.5	65%	0.649	75%	0.746	S	S	*	*			trans	-66.7	109.9	165.2	27.4	-27.5	0	0	0	106.1	W14 C18	W14-P16 WeakPolarHBondContact O-CD 3.26Å; P16-C18 PolarHBondContact O-N 3.49Å
17	A	53.2	Low	46	Very low	86 Å²	86	129.5 Å²	129.5	71%	0.711	73%	0.73	S	S	*	*			trans	-62.6	92.7	164.1	0	0	0	0	0	106.6	L15 V19	L15-A17 PolarHBondContact O-N 3.32Å; A17-V19 PolarHBondContact O-N 2.82Å
18	C	49	Very low	47.9	Very low	118 Å²	118	132 Å²	132	80%	0.797	73%	0.726	S	S	*	*			trans	-60.3	90.1	158.8	-72	0	0	0	0	105.9	P16 A20	P16-C18 PolarHBondContact O-N 3.49Å; C18-A20 PolarHBondContact O-N 2.98Å
19	V	51.2	Low	49.9	Very low	123 Å²	123	125.6 Å²	125.6	75%	0.745	70%	0.702	S	S	*	*			trans	-64	93.4	163.8	-179	0	0	0	0	104.3	A17 A21	A17-V19 PolarHBondContact O-N 2.82Å; V19-A21 PolarHBondContact O-N 3.38Å
20	A	48.8	Very low	52.5	Low	72 Å²	72	121 Å²	121	60%	0.595	67%	0.669	S	S	*	*			trans	-63.5	86.5	162.8	0	0	0	0	0	105.8	C18 H22	C18-A20 PolarHBondContact O-N 2.98Å; A20-H22 PolarHBondContact O-N 2.83Å; A20-H22 PolarHBondContact O-ND1 2.93Å
21	A	45.8	Very low	54.9	Low	89 Å²	89	118.9 Å²	118.9	74%	0.736	65%	0.646	S	S	*	*			trans	-60.7	91	163.7	0	0	0	0	0	105.8	V19 G23	V19-A21 PolarHBondContact O-N 3.38Å; A21-G23 PolarHBondContact O-N 2.79Å
22	H	42.7	Very low	57.3	Low	169 Å²	169	111.5 Å²	111.5	78%	0.782	61%	0.608	S	S	*	*			trans	-67	78.3	159.1	-73.9	69.6	0	0	0	105.3	A20 F24	A20-H22 PolarHBondContact O-N 2.83Å; A20-H22 PolarHBondContact O-ND1 2.93Å; H22-F24 PolarHBondContact O-N 3.23Å
23	G	34.2	Very low	59.4	Low	63 Å²	63	108.2 Å²	108.2	65%	0.649	59%	0.585	S	S	*	*			trans	-60.4	110.5	168.9	0	0	0	0	0	106.5	A21 R25	A21-G23 PolarHBondContact O-N 2.79Å; G23-R25 PolarHBondContact O-N 3.19Å
24	F	33.8	Very low	61.7	Low	204 Å²	204	101.1 Å²	101.1	90%	0.895	55%	0.548	S	S	*	.			trans	-51.4	113.2	160.3	-108.5	-96.2	0	0	0	106.5	H22 I26	H22-F24 PolarHBondContact O-N 3.23Å; F24-I26 VanDerWaalsContact C-N 3.34Å; F24-I26 PolarHBondContact O-N 3.12Å
25	R	40.2	Very low	64.1	Low	124 Å²	124	92.2 Å²	92.2	47%	0.468	52%	0.517	S	S	.	.			trans	-73.2	92.7	-177.1	-147.6	-179.2	-176.6	-145.8	-11.3	107.4	G23 H27 K50 E127	G23-R25 PolarHBondContact O-N 3.19Å; R25-H27 PolarHBondContact O-N 3.03Å; R25-H27 VanDerWaalsContact O-N 3.15Å; R25-H27 PolarHBondContact O-ND1 3.34Å; R25-K50 VanDerWaalsContact CZ-CE 3.42Å; R25-K50 VanDerWaalsContact NH1-CD 3.32Å; R25-K50 VanDerWaalsContact NH1-NZ 3.11Å; R25-K50 VanDerWaalsContact NH2-CD 3.25Å; R25-E127 IonicContact CZ-OE1 3.18Å; R25-E127 IonicContact NH1-OE1 2.79Å; R25-E127 PolarHBondContact NH1-OE1 3.41Å; R25-E127 IonicContact NH1-OE2 4Å; R25-E127 PolarHBondContact NH1-OE2 3.22Å
26	I	45.7	Very low	66.2	Low	136 Å²	136	87 Å²	87	70%	0.697	49%	0.493	S	S	*	.			trans	-60.4	118.4	168.7	-59.5	176.7	0	0	0	105	F24 D28	F24-I26 VanDerWaalsContact C-N 3.34Å; F24-I26 PolarHBondContact O-N 3.12Å; I26-D28 PolarHBondContact O-N 2.92Å
27	H	55.5	Low	68.6	Low	91 Å²	91	82.6 Å²	82.6	42%	0.421	47%	0.465	S	S	.	.			trans	-70.5	103.9	171.5	-70.5	62.4	0	0	0	105.3	R25 Y29	R25-H27 PolarHBondContact O-N 3.03Å; R25-H27 VanDerWaalsContact O-N 3.15Å; R25-H27 PolarHBondContact O-ND1 3.34Å; H27-Y29 HydrophobicContact CB-CE1 4.32Å; H27-Y29 HydrophobicContact CB-CE2 4.17Å; H27-Y29 WeakPolarHBondContact O-CD2 3.4Å; H27-Y29 PolarHBondContact O-N 2.77Å
28	D	77	Confident	70.6	Confident	126 Å²	126	80.8 Å²	80.8	67%	0.674	45%	0.454	S	S	*	.			trans	-69.5	87.4	174.9	-74.5	-24.8	0	0	0	108	I26 P48	I26-D28 PolarHBondContact O-N 2.92Å; D28-P48 WeakPolarHBondContact O-CD 3.43Å
29	Y	88.9	Confident	72.7	Confident	101 Å²	101	78.3 Å²	78.3	40%	0.396	43%	0.433	S	S	.	.			trans	-63.6	141.1	173.4	-65.7	-67.9	0	0	0	110.1	H27 T45 T47 Y125	H27-Y29 HydrophobicContact CB-CE1 4.32Å; H27-Y29 HydrophobicContact CB-CE2 4.17Å; H27-Y29 WeakPolarHBondContact O-CD2 3.4Å; H27-Y29 PolarHBondContact O-N 2.77Å; Y29-T45 HydrophobicContact CD1-CG2 3.45Å; Y29-T45 VanDerWaalsContact CD1-CG2 3.45Å; Y29-T45 HydrophobicContact CE1-CG2 4.2Å; Y29-T45 HydrophobicContact CG-CG2 3.79Å; Y29-T47 HydrophobicContact CD1-CG2 3.55Å; Y29-T47 HydrophobicContact CE1-CG2 3.57Å; Y29-Y125 HydrophobicContact CE1-CE1 4.44Å; Y29-Y125 HydrophobicContact CE1-CE2 4.27Å
30	L	93.6	Very high	74.9	Confident	27 Å²	27	72.6 Å²	72.6	14%	0.141	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.6	170.4	-168.1	150.6	0	0	0	108.8	A46 P48 F56 L142 I168 P169	L30-A46 PolarHBondContact N-O 3.13Å; L30-A46 PolarHBondContact O-N 3.49Å; L30-A46 VanDerWaalsContact O-O 3.11Å; L30-P48 HydrophobicContact CB-CG 4.43Å; L30-F56 HydrophobicContact CD1-CD2 3.56Å; L30-F56 HydrophobicContact CD1-CE2 3.88Å; L30-L142 HydrophobicContact CB-CD2 4.35Å; L30-L142 HydrophobicContact CD1-CD2 4.14Å; L30-L142 HydrophobicContact CD2-CD1 3.78Å; L30-I168 HydrophobicContact CD2-CD1 3.65Å; L30-I168 HydrophobicContact CD2-CG1 3.55Å; L30-P169 HydrophobicContact CD1-CB 4.15Å; L30-P169 HydrophobicContact CD2-CB 4.04Å; L30-P169 HydrophobicContact CG-CB 3.98Å
31	Y	95	Very high	77.1	Confident	66 Å²	66	75.1 Å²	75.1	26%	0.259	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.7	-178	-55.3	-91.3	0	0	0	110.6	I43 F44 T45 P169 V170 V172	Y31-I43 HydrophobicContact CD1-CG2 4.21Å; Y31-F44 VanDerWaalsContact CA-O 3.31Å; Y31-F44 WeakPolarHBondContact CA-O 3.5Å; Y31-T45 HydrophobicContact CD1-CG2 4.4Å; Y31-T45 HydrophobicContact CE1-CG2 4Å; Y31-T45 WeakPolarHBondContact CE1-OG1 3.27Å; Y31-P169 CarbonylContact O-C 3.45Å; Y31-P169 WeakPolarHBondContact O-CA 3.23Å; Y31-V170 PolarHBondContact O-N 3.31Å; Y31-V172 HydrophobicContact CD1-CG1 4.11Å; Y31-V172 HydrophobicContact CD1-CG2 4.01Å; Y31-V172 HydrophobicContact CD2-CB 4.47Å; Y31-V172 HydrophobicContact CD2-CG1 4.22Å; Y31-V172 HydrophobicContact CD2-CG2 3.44Å; Y31-V172 VanDerWaalsContact CD2-CG2 3.44Å; Y31-V172 HydrophobicContact CE1-CG2 3.9Å; Y31-V172 HydrophobicContact CE2-CG2 3.35Å; Y31-V172 HydrophobicContact CG-CB 4.47Å; Y31-V172 HydrophobicContact CG-CG1 3.81Å; Y31-V172 HydrophobicContact CG-CG2 3.78Å
32	F	97.2	Very high	79.5	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.7	168.5	69.9	-87.8	0	0	0	110	V34 I43 F44 A46 L65 I113 L144 I152 I166 S167 I168	F32-V34 HydrophobicContact CD2-CG2 4.46Å; F32-V34 HydrophobicContact CE2-CG2 4.09Å; F32-I43 CarbonylContact O-C 3.59Å; F32-I43 WeakPolarHBondContact O-CA 3.49Å; F32-F44 HydrophobicContact CD1-CB 3.92Å; F32-F44 HydrophobicContact CD2-CB 4.21Å; F32-F44 HydrophobicContact CD2-CD2 4.33Å; F32-F44 HydrophobicContact CE1-CB 3.4Å; F32-F44 VanDerWaalsContact CE1-CB 3.4Å; F32-F44 HydrophobicContact CE1-CG 4.32Å; F32-F44 HydrophobicContact CE2-CB 3.72Å; F32-F44 AromaticContact CE2-CD2 3.73Å; F32-F44 HydrophobicContact CE2-CD2 3.73Å; F32-F44 AromaticContact CE2-CG 3.89Å; F32-F44 HydrophobicContact CE2-CG 3.89Å; F32-F44 HydrophobicContact CG-CB 4.3Å; F32-F44 HydrophobicContact CZ-CB 3.29Å; F32-F44 HydrophobicContact CZ-CD1 4.49Å; F32-F44 HydrophobicContact CZ-CD2 4.06Å; F32-F44 AromaticContact CZ-CG 3.71Å; F32-F44 HydrophobicContact CZ-CG 3.71Å; F32-F44 PolarHBondContact N-O 2.88Å; F32-F44 PolarHBondContact O-N 3.23Å; F32-A46 HydrophobicContact CE1-CB 4.4Å; F32-L65 HydrophobicContact CE2-CD2 4.27Å; F32-I113 HydrophobicContact CD1-CD1 4.2Å; F32-I113 HydrophobicContact CE1-CD1 4.05Å; F32-I113 HydrophobicContact CZ-CD1 4.26Å; F32-L144 HydrophobicContact CE1-CD1 4.06Å; F32-L144 HydrophobicContact CZ-CD1 4.23Å; F32-L144 HydrophobicContact CZ-CD2 4.24Å; F32-I152 HydrophobicContact CE2-CD1 4.23Å; F32-I152 HydrophobicContact CZ-CD1 4.09Å; F32-I166 HydrophobicContact CD2-CB 4.41Å; F32-I166 HydrophobicContact CD2-CD1 4.1Å; F32-I166 HydrophobicContact CD2-CG2 4.32Å; F32-S167 WeakPolarHBondContact CA-O 3.26Å; F32-I168 HydrophobicContact CB-CB 3.77Å; F32-I168 HydrophobicContact CB-CD1 3.77Å; F32-I168 HydrophobicContact CB-CG1 3.73Å; F32-I168 HydrophobicContact CG-CD1 4.43Å
33	Q	96.9	Very high	82	Confident	44 Å²	44	66.1 Å²	66.1	21%	0.206	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.4	177.9	-177.2	-179	11.1	0	0	109.4	L35 Y42 I43 I166 S167 V170	Q33-L35 HydrophobicContact CG-CD2 4.08Å; Q33-Y42 WeakPolarHBondContact CA-O 3.48Å; Q33-I43 HydrophobicContact CB-CG1 4.19Å; Q33-I43 HydrophobicContact CG-CG1 4.12Å; Q33-I166 CarbonylContact O-C 3.59Å; Q33-I166 WeakPolarHBondContact O-CA 3.39Å; Q33-I166 WeakPolarHBondContact O-CB 3.46Å; Q33-S167 PolarHBondContact N-O 3.14Å; Q33-S167 PolarHBondContact O-N 3.06Å; Q33-V170 HydrophobicContact CB-CG2 3.95Å
34	V	98.2	Very high	84.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.2	165.2	175.9	0	0	0	0	108.7	F32 S36 I40 R41 Y42 F44 A164 I166	F32-V34 HydrophobicContact CD2-CG2 4.46Å; F32-V34 HydrophobicContact CE2-CG2 4.09Å; V34-S36 WeakPolarHBondContact CG1-O 3.48Å; V34-I40 VanDerWaalsContact CB-O 3.27Å; V34-I40 WeakPolarHBondContact CB-O 3.45Å; V34-I40 HydrophobicContact CG1-CD1 4.04Å; V34-I40 HydrophobicContact CG1-CG1 3.95Å; V34-R41 WeakPolarHBondContact O-CA 3.47Å; V34-R41 VanDerWaalsContact O-CG 3.28Å; V34-R41 WeakPolarHBondContact O-CG 3.31Å; V34-Y42 PolarHBondContact N-O 3.26Å; V34-F44 HydrophobicContact CB-CE2 4.11Å; V34-F44 HydrophobicContact CG2-CD2 3.78Å; V34-F44 HydrophobicContact CG2-CE2 3.45Å; V34-F44 VanDerWaalsContact CG2-CE2 3.45Å; V34-F44 HydrophobicContact CG2-CZ 4.48Å; V34-A164 HydrophobicContact CG1-CB 4.36Å; V34-I166 HydrophobicContact CB-CG2 4.45Å; V34-I166 HydrophobicContact CG2-CG2 3.91Å
35	L	97.6	Very high	87.8	Confident	44 Å²	44	53.7 Å²	53.7	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-30	177.6	-55.2	178.8	0	0	0	111.4	Q33 R41 Q62 I165	Q33-L35 HydrophobicContact CG-CD2 4.08Å; L35-R41 VanDerWaalsContact O-CZ 3.28Å; L35-R41 PolarHBondContact O-NE 3.15Å; L35-R41 PolarHBondContact O-NH2 2.9Å; L35-Q62 HydrophobicContact CD1-CG 4.03Å; L35-I165 WeakPolarHBondContact CA-O 3.39Å; L35-I165 HydrophobicContact CB-CG2 4.35Å; L35-I165 WeakPolarHBondContact CB-O 3.12Å; L35-I165 HydrophobicContact CD1-CG2 4.27Å; L35-I165 PolarHBondContact N-O 3.05Å
36	S	97.8	Very high	90.5	Very high	44 Å²	44	47.8 Å²	47.8	31%	0.308	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.2	177.5	-172.1	0	0	0	0	110.6	V34 A164 I165	V34-S36 WeakPolarHBondContact CG1-O 3.48Å; S36-A164 CarbonylContact O-C 3.55Å; S36-A164 VanDerWaalsContact O-CA 3.31Å; S36-A164 WeakPolarHBondContact O-CA 3.27Å; S36-A164 WeakPolarHBondContact O-CB 3.41Å; S36-I165 PolarHBondContact N-O 2.93Å; S36-I165 PolarHBondContact O-N 2.83Å
37	P	97.6	Very high	92.9	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.052	21%	0.21	C	C	.	.	S	Bend	cis	-73.7	167.3	0.6	30.7	-35.6	0	0	0	114.1	D39 I40 S155 L156 L161	P37-D39 WeakPolarHBondContact CB-OD1 3.46Å; P37-D39 WeakPolarHBondContact CG-OD1 3.4Å; P37-I40 HydrophobicContact CG-CD1 4.12Å; P37-I40 HydrophobicContact CG-CG1 3.87Å; P37-S155 WeakPolarHBondContact CG-OG 3.18Å; P37-L156 HydrophobicContact CG-CD2 4.4Å; P37-L161 HydrophobicContact CB-CD1 3.91Å; P37-L161 HydrophobicContact CG-CD1 3.98Å
38	G	95.1	Very high	94.8	Very high	47 Å²	47	40.4 Å²	40.4	49%	0.485	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-73.8	-25.6	-167.5	0	0	0	0	0	115.4	I40 R41	G38-I40 VanDerWaalsContact C-N 3.31Å; G38-R41 WeakPolarHBondContact O-CB 3.14Å; G38-R41 PolarHBondContact O-N 2.96Å
39	D	94.6	Very high	95.7	Very high	67 Å²	67	35.2 Å²	35.2	36%	0.358	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-72.2	-20.4	178.8	57.5	-37.6	0	0	0	113.7	P37 Y42 S155 H159	P37-D39 WeakPolarHBondContact CB-OD1 3.46Å; P37-D39 WeakPolarHBondContact CG-OD1 3.4Å; D39-Y42 WeakPolarHBondContact O-CE2 3.34Å; D39-S155 PolarHBondContact OD1-OG 3.15Å; D39-S155 VanDerWaalsContact OD1-OG 3.09Å; D39-S155 PolarHBondContact OD2-OG 2.94Å; D39-H159 VanDerWaalsContact CG-NE2 3.32Å; D39-H159 IonicContact OD1-CD2 2.93Å; D39-H159 IonicContact OD1-NE2 2.66Å; D39-H159 PolarHBondContact OD1-NE2 2.99Å; D39-H159 IonicContact OD2-CD2 3.7Å; D39-H159 IonicContact OD2-NE2 2.96Å; D39-H159 PolarHBondContact OD2-NE2 3.05Å
40	I	96.1	Very high	95.9	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-117.3	23.4	173.5	57.8	161.7	0	0	0	112.3	V34 P37 G38 Y42 I152 W185	V34-I40 VanDerWaalsContact CB-O 3.27Å; V34-I40 WeakPolarHBondContact CB-O 3.45Å; V34-I40 HydrophobicContact CG1-CD1 4.04Å; V34-I40 HydrophobicContact CG1-CG1 3.95Å; P37-I40 HydrophobicContact CG-CD1 4.12Å; P37-I40 HydrophobicContact CG-CG1 3.87Å; G38-I40 VanDerWaalsContact C-N 3.31Å; I40-Y42 PolarHBondContact O-N 3.09Å; I40-I152 HydrophobicContact CD1-CB 4.36Å; I40-I152 HydrophobicContact CD1-CG1 4.23Å; I40-I152 HydrophobicContact CD1-CG2 4.23Å; I40-W185 HydrophobicContact CG2-CH2 4.24Å
41	R	96.3	Very high	95.9	Very high	124 Å²	124	37.4 Å²	37.4	47%	0.468	20%	0.197	S	C	.	.			trans	-72.5	71.3	-180	-172.9	179.1	-74.2	151.5	0.3	111.7	V34 L35 G38	V34-R41 WeakPolarHBondContact O-CA 3.47Å; V34-R41 VanDerWaalsContact O-CG 3.28Å; V34-R41 WeakPolarHBondContact O-CG 3.31Å; L35-R41 VanDerWaalsContact O-CZ 3.28Å; L35-R41 PolarHBondContact O-NE 3.15Å; L35-R41 PolarHBondContact O-NH2 2.9Å; G38-R41 WeakPolarHBondContact O-CB 3.14Å; G38-R41 PolarHBondContact O-N 2.96Å
42	Y	95.9	Very high	95.9	Very high	58 Å²	58	35.4 Å²	35.4	23%	0.227	19%	0.19	C	C	.	.			trans	-125.5	166.5	-177.4	-58.9	-64.7	0	0	0	111.7	Q33 V34 D39 I40 F44 L181 Q182 P183 P184 W185	Q33-Y42 WeakPolarHBondContact CA-O 3.48Å; V34-Y42 PolarHBondContact N-O 3.26Å; D39-Y42 WeakPolarHBondContact O-CE2 3.34Å; I40-Y42 PolarHBondContact O-N 3.09Å; Y42-F44 HydrophobicContact CD2-CZ 4.48Å; Y42-L181 CarbonylContact C-O 3.39Å; Y42-L181 WeakPolarHBondContact CA-O 3.44Å; Y42-L181 VanDerWaalsContact CB-O 3.23Å; Y42-L181 WeakPolarHBondContact CB-O 3.1Å; Y42-L181 HydrophobicContact CD1-CB 4.45Å; Y42-L181 WeakPolarHBondContact CD1-O 3.32Å; Y42-Q182 VanDerWaalsContact CD1-O 3.23Å; Y42-Q182 WeakPolarHBondContact CD1-O 3.45Å; Y42-P183 HydrophobicContact CD2-CB 4.42Å; Y42-P183 HydrophobicContact CG-CB 4.47Å; Y42-P183 HydrophobicContact CG-CG 4.36Å; Y42-P184 VanDerWaalsContact CZ-CD 3.5Å; Y42-W185 AromaticContact CD2-CH2 3.92Å; Y42-W185 HydrophobicContact CD2-CH2 3.92Å; Y42-W185 HydrophobicContact CD2-CZ3 4.46Å; Y42-W185 AromaticContact CE2-CH2 3.8Å; Y42-W185 HydrophobicContact CE2-CH2 3.8Å; Y42-W185 AromaticContact CE2-CZ3 3.93Å; Y42-W185 HydrophobicContact CE2-CZ3 3.93Å
43	I	95.4	Very high	95.7	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.6	168.8	-59.1	173.3	0	0	0	107.5	Y31 F32 Q33 V172 L180 L181 P183	Y31-I43 HydrophobicContact CD1-CG2 4.21Å; F32-I43 CarbonylContact O-C 3.59Å; F32-I43 WeakPolarHBondContact O-CA 3.49Å; Q33-I43 HydrophobicContact CB-CG1 4.19Å; Q33-I43 HydrophobicContact CG-CG1 4.12Å; I43-V172 HydrophobicContact CD1-CG1 4.44Å; I43-V172 HydrophobicContact CG2-CG1 4.03Å; I43-L180 HydrophobicContact CD1-CD2 3.85Å; I43-L181 PolarHBondContact N-O 2.79Å; I43-P183 WeakPolarHBondContact O-CD 3.43Å
44	F	95.6	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150	178.7	-67.4	-91.7	0	0	0	110.4	Y31 F32 V34 Y42 L144 D148 I152 P183 W185	Y31-F44 VanDerWaalsContact CA-O 3.31Å; Y31-F44 WeakPolarHBondContact CA-O 3.5Å; F32-F44 HydrophobicContact CD1-CB 3.92Å; F32-F44 HydrophobicContact CD2-CB 4.21Å; F32-F44 HydrophobicContact CD2-CD2 4.33Å; F32-F44 HydrophobicContact CE1-CB 3.4Å; F32-F44 VanDerWaalsContact CE1-CB 3.4Å; F32-F44 HydrophobicContact CE1-CG 4.32Å; F32-F44 HydrophobicContact CE2-CB 3.72Å; F32-F44 AromaticContact CE2-CD2 3.73Å; F32-F44 HydrophobicContact CE2-CD2 3.73Å; F32-F44 AromaticContact CE2-CG 3.89Å; F32-F44 HydrophobicContact CE2-CG 3.89Å; F32-F44 HydrophobicContact CG-CB 4.3Å; F32-F44 HydrophobicContact CZ-CB 3.29Å; F32-F44 HydrophobicContact CZ-CD1 4.49Å; F32-F44 HydrophobicContact CZ-CD2 4.06Å; F32-F44 AromaticContact CZ-CG 3.71Å; F32-F44 HydrophobicContact CZ-CG 3.71Å; F32-F44 PolarHBondContact N-O 2.88Å; F32-F44 PolarHBondContact O-N 3.23Å; V34-F44 HydrophobicContact CB-CE2 4.11Å; V34-F44 HydrophobicContact CG2-CD2 3.78Å; V34-F44 HydrophobicContact CG2-CE2 3.45Å; V34-F44 VanDerWaalsContact CG2-CE2 3.45Å; V34-F44 HydrophobicContact CG2-CZ 4.48Å; Y42-F44 HydrophobicContact CD2-CZ 4.48Å; F44-L144 HydrophobicContact CB-CD1 4.41Å; F44-D148 HydrophobicContact CD1-CB 3.78Å; F44-D148 HydrophobicContact CE1-CB 3.95Å; F44-I152 HydrophobicContact CD1-CD1 4.23Å; F44-I152 HydrophobicContact CD2-CD1 4.5Å; F44-I152 HydrophobicContact CE1-CD1 4Å; F44-I152 HydrophobicContact CE1-CG1 4.11Å; F44-I152 HydrophobicContact CE2-CD1 4.3Å; F44-I152 HydrophobicContact CE2-CG1 4.41Å; F44-I152 HydrophobicContact CG-CD1 4.46Å; F44-I152 HydrophobicContact CZ-CD1 4.04Å; F44-I152 HydrophobicContact CZ-CG1 3.88Å; F44-P183 HydrophobicContact CD1-CG 3.77Å; F44-P183 HydrophobicContact CE1-CB 4.37Å; F44-P183 HydrophobicContact CE1-CG 3.6Å; F44-P183 HydrophobicContact CG-CG 4.41Å; F44-P183 HydrophobicContact CZ-CG 4.1Å; F44-W185 HydrophobicContact CE1-CZ2 4.1Å; F44-W185 HydrophobicContact CZ-CZ2 4.26Å
45	T	94.5	Very high	95.2	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.3	177.4	-56.4	0	0	0	0	109.3	Y29 Y31 L144 W188	Y29-T45 HydrophobicContact CD1-CG2 3.45Å; Y29-T45 VanDerWaalsContact CD1-CG2 3.45Å; Y29-T45 HydrophobicContact CE1-CG2 4.2Å; Y29-T45 HydrophobicContact CG-CG2 3.79Å; Y31-T45 HydrophobicContact CD1-CG2 4.4Å; Y31-T45 HydrophobicContact CE1-CG2 4Å; Y31-T45 WeakPolarHBondContact CE1-OG1 3.27Å; T45-L144 WeakPolarHBondContact O-CD1 3.47Å; T45-W188 WeakPolarHBondContact OG1-CH2 3.5Å
46	A	95.9	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.6	176.3	0	0	0	0	0	110.6	L30 F32 L142 F143	L30-A46 PolarHBondContact N-O 3.13Å; L30-A46 PolarHBondContact O-N 3.49Å; L30-A46 VanDerWaalsContact O-O 3.11Å; F32-A46 HydrophobicContact CE1-CB 4.4Å; A46-L142 HydrophobicContact CB-CB 3.97Å; A46-L142 HydrophobicContact CB-CD1 4.36Å; A46-F143 CarbonylContact C-O 3.55Å; A46-F143 WeakPolarHBondContact CA-O 3.37Å; A46-F143 VanDerWaalsContact CB-O 3.27Å; A46-F143 WeakPolarHBondContact CB-O 3.35Å
47	T	95.6	Very high	94.5	Very high	12 Å²	12	46.9 Å²	46.9	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.3	177.9	53.5	0	0	0	0	110.6	Y29 Y125 L142 F143	Y29-T47 HydrophobicContact CD1-CG2 3.55Å; Y29-T47 HydrophobicContact CE1-CG2 3.57Å; T47-Y125 HydrophobicContact CG2-CD1 3.44Å; T47-Y125 VanDerWaalsContact CG2-CD1 3.44Å; T47-Y125 HydrophobicContact CG2-CE1 3.85Å; T47-Y125 HydrophobicContact CG2-CG 4.07Å; T47-L142 CarbonylContact O-C 3.52Å; T47-L142 WeakPolarHBondContact O-CA 3.11Å; T47-F143 PolarHBondContact N-O 3.15Å; T47-F143 PolarHBondContact O-N 2.8Å
48	P	96.4	Very high	94.2	Very high	60 Å²	60	51 Å²	51	39%	0.39	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	154.3	174.3	-22.4	33.3	0	0	0	113.5	D28 L30 A141 L142	D28-P48 WeakPolarHBondContact O-CD 3.43Å; L30-P48 HydrophobicContact CB-CG 4.43Å; P48-A141 CarbonylContact C-O 3.54Å; P48-A141 WeakPolarHBondContact CA-O 3.14Å; P48-L142 HydrophobicContact CB-CD2 4.14Å; P48-L142 HydrophobicContact CG-CD2 4Å
49	A	95.8	Very high	94.1	Very high	17 Å²	17	55.4 Å²	55.4	14%	0.14	28%	0.281	C	S	.	.			trans	-56.5	146.4	166.5	0	0	0	0	0	111.6	F52 M128 A141	A49-F52 HydrophobicContact CB-CD1 3.91Å; A49-F52 HydrophobicContact CB-CD2 4.09Å; A49-F52 HydrophobicContact CB-CE1 3.61Å; A49-F52 HydrophobicContact CB-CE2 3.78Å; A49-F52 HydrophobicContact CB-CG 4.14Å; A49-F52 HydrophobicContact CB-CZ 3.53Å; A49-F52 WeakPolarHBondContact CB-O 3.47Å; A49-M128 HydrophobicContact CB-CB 4.27Å; A49-M128 HydrophobicContact CB-CE 3.97Å; A49-A141 HydrophobicContact CB-CB 4.05Å; A49-A141 PolarHBondContact N-O 2.77Å
50	K	93.6	Very high	94.2	Very high	103 Å²	103	55.3 Å²	55.3	45%	0.448	28%	0.276	S	S	.	.	S	Bend	trans	-77.4	-44	-172.8	166.2	162.9	-172	177.9	0	113.4	R25 E127 M128 I129	R25-K50 VanDerWaalsContact CZ-CE 3.42Å; R25-K50 VanDerWaalsContact NH1-CD 3.32Å; R25-K50 VanDerWaalsContact NH1-NZ 3.11Å; R25-K50 VanDerWaalsContact NH2-CD 3.25Å; K50-E127 VanDerWaalsContact CD-OE2 3.23Å; K50-E127 WeakPolarHBondContact CD-OE2 3.42Å; K50-E127 IonicContact NZ-OE2 3.28Å; K50-E127 PolarHBondContact NZ-OE2 2.94Å; K50-M128 WeakPolarHBondContact CB-O 3.47Å; K50-M128 PolarHBondContact N-O 3.09Å; K50-I129 HydrophobicContact CB-CG2 4.19Å; K50-I129 HydrophobicContact CD-CG2 3.86Å; K50-I129 HydrophobicContact CG-CG2 4.31Å
51	D	92.3	Very high	94.3	Very high	72 Å²	72	62.1 Å²	62.1	39%	0.385	31%	0.308	S	S	.	.	S	Bend	trans	-140.5	14.5	-167.5	66.5	-13.8	0	0	0	113.9	I129 Q130	D51-I129 WeakPolarHBondContact OD1-CA 3.43Å; D51-Q130 PolarHBondContact OD1-N 3.38Å; D51-Q130 VanDerWaalsContact OD2-CG 3.3Å; D51-Q130 WeakPolarHBondContact OD2-CG 3.42Å; D51-Q130 PolarHBondContact OD2-NE2 3.33Å
52	F	94.8	Very high	94.3	Very high	24 Å²	24	63.3 Å²	63.3	11%	0.105	32%	0.319	C	S	.	.	S	Bend	trans	-146.5	170.6	171.7	71.9	-88.7	0	0	0	110.6	A49 F97 L98 T101 M128 A141	A49-F52 HydrophobicContact CB-CD1 3.91Å; A49-F52 HydrophobicContact CB-CD2 4.09Å; A49-F52 HydrophobicContact CB-CE1 3.61Å; A49-F52 HydrophobicContact CB-CE2 3.78Å; A49-F52 HydrophobicContact CB-CG 4.14Å; A49-F52 HydrophobicContact CB-CZ 3.53Å; A49-F52 WeakPolarHBondContact CB-O 3.47Å; F52-F97 HydrophobicContact CE1-CB 4.19Å; F52-F97 HydrophobicContact CZ-CB 3.68Å; F52-L98 HydrophobicContact CB-CD1 4.16Å; F52-L98 HydrophobicContact CD2-CD1 3.93Å; F52-L98 HydrophobicContact CG-CD1 4.13Å; F52-T101 HydrophobicContact CE2-CG2 4.4Å; F52-T101 WeakPolarHBondContact CE2-OG1 3.36Å; F52-M128 HydrophobicContact CE1-CB 3.89Å; F52-M128 HydrophobicContact CZ-CB 3.95Å; F52-A141 HydrophobicContact CD2-CB 4.36Å; F52-A141 HydrophobicContact CE2-CB 3.6Å; F52-A141 HydrophobicContact CZ-CB 4.27Å
53	G	93.2	Very high	94.5	Very high	28 Å²	28	61 Å²	61	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	87.2	164.1	179.4	0	0	0	0	0	113.1	A137 I139	G53-A137 WeakPolarHBondContact CA-O 3.38Å; G53-A137 PolarHBondContact N-O 3.38Å; G53-A137 VanDerWaalsContact N-O 3.09Å; G53-I139 CarbonylContact C-O 3.58Å; G53-I139 VanDerWaalsContact CA-O 3.22Å; G53-I139 WeakPolarHBondContact CA-O 3.4Å
54	G	93.4	Very high	94.6	Very high	27 Å²	27	63.1 Å²	63.1	28%	0.278	32%	0.32	S	S	.	.			trans	-88.8	-176.1	176.6	0	0	0	0	0	114	D138 I139 P140	G54-D138 WeakPolarHBondContact CA-O 3.31Å; G54-D138 PolarHBondContact N-O 3.47Å; G54-I139 VanDerWaalsContact N-C 3.25Å; G54-I139 PolarHBondContact N-O 2.86Å; G54-P140 WeakPolarHBondContact O-CA 3.33Å
55	I	92.5	Very high	94.8	Very high	119 Å²	119	63.1 Å²	63.1	61%	0.61	32%	0.32	S	S	*	.			trans	-115.5	152.5	174.4	63.5	175	0	0	0	111	H57	I55-H57 PolarHBondContact O-N 3.44Å; I55-H57 PolarHBondContact O-ND1 3.32Å
56	F	91.5	Very high	95	Very high	37 Å²	37	63 Å²	63	16%	0.162	32%	0.318	C	S	.	.			trans	-76.2	106.2	169.9	-69.3	-86.7	0	0	0	109.5	L30 Y60 I87 A111 P140 L142 I168 P169	L30-F56 HydrophobicContact CD1-CD2 3.56Å; L30-F56 HydrophobicContact CD1-CE2 3.88Å; F56-Y60 HydrophobicContact CD1-CD2 4.09Å; F56-Y60 AromaticContact CD1-CE2 3.78Å; F56-Y60 HydrophobicContact CD1-CE2 3.78Å; F56-Y60 HydrophobicContact CE1-CD2 4.09Å; F56-Y60 AromaticContact CE1-CE2 3.84Å; F56-Y60 HydrophobicContact CE1-CE2 3.84Å; F56-I87 HydrophobicContact CE1-CD1 4.45Å; F56-A111 HydrophobicContact CE1-CB 4.01Å; F56-A111 HydrophobicContact CZ-CB 3.69Å; F56-P140 HydrophobicContact CD1-CG 4.32Å; F56-P140 HydrophobicContact CD2-CB 3.83Å; F56-P140 HydrophobicContact CD2-CG 4.03Å; F56-P140 HydrophobicContact CE1-CB 4.36Å; F56-P140 HydrophobicContact CE1-CG 4.24Å; F56-P140 HydrophobicContact CE2-CB 3.37Å; F56-P140 HydrophobicContact CE2-CG 3.94Å; F56-P140 HydrophobicContact CG-CB 4.49Å; F56-P140 HydrophobicContact CG-CG 4.22Å; F56-P140 HydrophobicContact CZ-CB 3.69Å; F56-P140 HydrophobicContact CZ-CG 4.05Å; F56-L142 HydrophobicContact CE2-CD1 3.85Å; F56-L142 HydrophobicContact CE2-CD2 4.23Å; F56-L142 HydrophobicContact CE2-CG 4.21Å; F56-L142 HydrophobicContact CZ-CD1 4.16Å; F56-I168 HydrophobicContact CE1-CD1 4.29Å; F56-I168 HydrophobicContact CE1-CG1 4.4Å; F56-I168 HydrophobicContact CE1-CG2 4.22Å; F56-I168 HydrophobicContact CE2-CD1 4.25Å; F56-I168 HydrophobicContact CZ-CD1 3.78Å; F56-I168 HydrophobicContact CZ-CG1 4.27Å; F56-P169 HydrophobicContact CB-CG 4.2Å
57	H	89.1	Confident	95.1	Very high	162 Å²	162	64 Å²	64	75%	0.75	33%	0.326	S	S	*	.			trans	-79.4	-27.6	176.4	-64.2	91.7	0	0	0	112.8	I55	I55-H57 PolarHBondContact O-N 3.44Å; I55-H57 PolarHBondContact O-ND1 3.32Å
58	T	90.1	Very high	95.2	Very high	94 Å²	94	63.5 Å²	63.5	58%	0.577	32%	0.322	S	S	*	.	S	Bend	trans	-136.5	159.9	-178.3	58.1	0	0	0	0	109.7
59	R	94.1	Very high	95.3	Very high	140 Å²	140	65.2 Å²	65.2	53%	0.528	33%	0.325	S	S	.	.			trans	-84.8	130.9	173.7	180	178.7	179.3	-169.1	2.8	110	S167	R59-S167 PolarHBondContact NE-OG 2.81Å; R59-S167 VanDerWaalsContact NE-OG 3.13Å; R59-S167 PolarHBondContact NH2-OG 3.02Å
60	Y	96.9	Very high	95.4	Very high	64 Å²	64	66.9 Å²	66.9	25%	0.251	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.4	163	-58.8	-69.2	0	0	0	108.4	F56 I63 S167 I168	F56-Y60 HydrophobicContact CD1-CD2 4.09Å; F56-Y60 AromaticContact CD1-CE2 3.78Å; F56-Y60 HydrophobicContact CD1-CE2 3.78Å; F56-Y60 HydrophobicContact CE1-CD2 4.09Å; F56-Y60 AromaticContact CE1-CE2 3.84Å; F56-Y60 HydrophobicContact CE1-CE2 3.84Å; Y60-I63 HydrophobicContact CD1-CD1 3.94Å; Y60-I63 HydrophobicContact CD2-CD1 4.22Å; Y60-I63 HydrophobicContact CE1-CD1 4.21Å; Y60-I63 HydrophobicContact CE2-CD1 4.46Å; Y60-I63 HydrophobicContact CG-CB 4.42Å; Y60-I63 HydrophobicContact CG-CD1 3.94Å; Y60-I63 HydrophobicContact CG-CG2 4.35Å; Y60-S167 CarbonylContact O-C 3.57Å; Y60-S167 VanDerWaalsContact O-CA 3.27Å; Y60-S167 WeakPolarHBondContact O-CA 3.26Å; Y60-I168 HydrophobicContact CD2-CG2 4.05Å; Y60-I168 PolarHBondContact N-O 3.41Å; Y60-I168 PolarHBondContact O-N 3.27Å
61	E	96.7	Very high	95.6	Very high	147 Å²	147	63.4 Å²	63.4	69%	0.687	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	-40	177	-65.7	-170	168.6	0	0	111.7	S167	E61-S167 WeakPolarHBondContact O-CB 3.34Å
62	Q	97.9	Very high	95.9	Very high	149 Å²	149	64 Å²	64	70%	0.696	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	118.8	174.4	-61.9	-170.1	-55.2	0	0	109	L35 I165 I166	L35-Q62 HydrophobicContact CD1-CG 4.03Å; Q62-I165 HydrophobicContact CB-CG2 4.12Å; Q62-I165 HydrophobicContact CG-CG2 4.37Å; Q62-I166 WeakPolarHBondContact CA-O 3.23Å
63	I	98.5	Very high	96.1	Very high	9 Å²	9	62.8 Å²	62.8	5%	0.046	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.5	174.2	-167.4	161.9	0	0	0	109.2	Y60 Q86 I87 R110 I166 I168	Y60-I63 HydrophobicContact CD1-CD1 3.94Å; Y60-I63 HydrophobicContact CD2-CD1 4.22Å; Y60-I63 HydrophobicContact CE1-CD1 4.21Å; Y60-I63 HydrophobicContact CE2-CD1 4.46Å; Y60-I63 HydrophobicContact CG-CB 4.42Å; Y60-I63 HydrophobicContact CG-CD1 3.94Å; Y60-I63 HydrophobicContact CG-CG2 4.35Å; I63-Q86 VanDerWaalsContact CG1-OE1 3.23Å; I63-I87 HydrophobicContact CD1-CD1 4.09Å; I63-I87 HydrophobicContact CD1-CG1 3.76Å; I63-I87 HydrophobicContact CG1-CG1 4.2Å; I63-I87 HydrophobicContact CG2-CD1 3.76Å; I63-I87 HydrophobicContact CG2-CG1 4.27Å; I63-R110 HydrophobicContact CD1-CB 4.39Å; I63-I166 HydrophobicContact CG2-CD1 4.31Å; I63-I166 HydrophobicContact CG2-CG1 3.65Å; I63-I166 PolarHBondContact N-O 2.96Å; I63-I166 PolarHBondContact O-N 3.31Å; I63-I168 HydrophobicContact CG2-CG2 4.14Å
64	H	98.8	Very high	96.3	Very high	57 Å²	57	64.1 Å²	64.1	26%	0.264	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.5	178.3	-58.8	159.7	0	0	0	110.7	V66 Q86 I87 W163 A164	H64-V66 HydrophobicContact CB-CG2 3.87Å; H64-Q86 HydrophobicContact CB-CB 4.15Å; H64-Q86 HydrophobicContact CB-CG 3.92Å; H64-I87 PolarHBondContact O-N 3.02Å; H64-W163 HydrophobicContact CB-CB 3.96Å; H64-W163 HydrophobicContact CB-CD2 4.37Å; H64-W163 HydrophobicContact CB-CG 3.77Å; H64-W163 AromaticContact CD2-CD1 3.33Å; H64-W163 AromaticContact CD2-NE1 3.31Å; H64-W163 PolarHBondContact CD2-NE1 2.97Å; H64-W163 VanDerWaalsContact CD2-NE1 3.31Å; H64-W163 AromaticContact CE1-CE2 3.54Å; H64-W163 AromaticContact CE1-CZ2 3.83Å; H64-W163 AromaticContact CE1-NE1 3.39Å; H64-W163 PolarHBondContact CE1-NE1 3.19Å; H64-W163 AromaticContact CG-CD1 3.41Å; H64-W163 VanDerWaalsContact CG-CD1 3.41Å; H64-W163 AromaticContact CG-CG 3.73Å; H64-W163 AromaticContact CG-NE1 3.56Å; H64-W163 AromaticContact ND1-CD1 3.88Å; H64-W163 AromaticContact ND1-CD2 3.83Å; H64-W163 AromaticContact ND1-CE2 3.63Å; H64-W163 AromaticContact ND1-NE1 3.59Å; H64-W163 AromaticContact NE2-CD1 3.77Å; H64-W163 AromaticContact NE2-CE2 3.86Å; H64-W163 AromaticContact NE2-NE1 3.2Å; H64-W163 PolarHBondContact NE2-NE1 2.84Å; H64-A164 CarbonylContact C-O 3.6Å; H64-A164 WeakPolarHBondContact CA-O 3.28Å
65	L	98.8	Very high	96.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	102.7	165.4	-178.7	62.6	0	0	0	108	F32 I87 L89 I113 I152 W163 A164 I166	F32-L65 HydrophobicContact CE2-CD2 4.27Å; L65-I87 WeakPolarHBondContact CA-O 3.42Å; L65-I87 HydrophobicContact CD1-CB 4.29Å; L65-I87 HydrophobicContact CD1-CG2 3.74Å; L65-L89 HydrophobicContact CD1-CB 3.82Å; L65-L89 HydrophobicContact CG-CB 4.05Å; L65-I113 HydrophobicContact CD1-CB 4.41Å; L65-I113 HydrophobicContact CD1-CD1 3.87Å; L65-I113 HydrophobicContact CD1-CG1 4.38Å; L65-I152 HydrophobicContact CD2-CD1 4.43Å; L65-I152 HydrophobicContact CD2-CG2 4.26Å; L65-W163 VanDerWaalsContact O-CA 3.29Å; L65-W163 WeakPolarHBondContact O-CA 3.2Å; L65-W163 WeakPolarHBondContact O-CB 3.21Å; L65-A164 HydrophobicContact CB-CB 4.28Å; L65-A164 PolarHBondContact N-O 3.17Å; L65-A164 PolarHBondContact O-N 2.76Å; L65-I166 HydrophobicContact CB-CD1 4.08Å; L65-I166 HydrophobicContact CB-CG1 4.29Å; L65-I166 HydrophobicContact CB-CG2 3.84Å; L65-I166 HydrophobicContact CD1-CD1 4.5Å; L65-I166 HydrophobicContact CD2-CD1 4.48Å; L65-I166 HydrophobicContact CD2-CG2 4.17Å
66	V	98.8	Very high	96.5	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.5	-169.2	-174.7	0	0	0	0	109.3	H64 A68 F82 I83 Q86 I87 A88 L89 W163	H64-V66 HydrophobicContact CB-CG2 3.87Å; V66-A68 PolarHBondContact O-N 3.12Å; V66-F82 HydrophobicContact CG1-CB 3.87Å; V66-F82 WeakPolarHBondContact CG2-O 3.4Å; V66-I83 HydrophobicContact CB-CG1 4.09Å; V66-I83 HydrophobicContact CG1-CG1 3.88Å; V66-Q86 HydrophobicContact CG2-CB 3.96Å; V66-Q86 HydrophobicContact CG2-CG 4.38Å; V66-I87 PolarHBondContact N-O 3.49Å; V66-A88 CarbonylContact O-C 3.57Å; V66-A88 WeakPolarHBondContact O-CA 3.4Å; V66-L89 PolarHBondContact O-N 2.74Å; V66-W163 HydrophobicContact CB-CB 4.5Å; V66-W163 HydrophobicContact CG2-CB 3.94Å
67	P	98.6	Very high	96.8	Very high	23 Å²	23	65.3 Å²	65.3	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	126.9	170.7	-21.3	33.8	0	0	0	110.7	N79 L156 P162	P67-N79 PolarHBondContact O-ND2 2.88Å; P67-L156 HydrophobicContact CG-CD1 3.54Å; P67-P162 WeakPolarHBondContact CD-O 3.33Å
68	A	98.5	Very high	97.2	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.008	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-72.6	148.1	178.4	0	0	0	0	0	111.9	V66 P70 P71 A73 L77 I83 L89 V90	V66-A68 PolarHBondContact O-N 3.12Å; A68-P70 CarbonylContact C-O 3.56Å; A68-P70 CarbonylContact O-C 3.56Å; A68-P71 VanDerWaalsContact O-CA 3.3Å; A68-P71 WeakPolarHBondContact O-CA 3.4Å; A68-A73 HydrophobicContact CB-CB 4.42Å; A68-L77 HydrophobicContact CB-CD2 4.07Å; A68-I83 HydrophobicContact CB-CD1 4.28Å; A68-L89 PolarHBondContact N-O 2.76Å; A68-V90 HydrophobicContact CB-CG2 3.86Å
69	E	97.9	Very high	97.6	Very high	95 Å²	95	59 Å²	59	44%	0.444	30%	0.304	S	S	.	.	S	Bend	trans	-131.9	107.5	174.7	-173.1	61.9	-120.3	0	0	110.1	L77 S78 N79	E69-L77 CarbonylContact O-C 3.51Å; E69-L77 WeakPolarHBondContact O-CA 3.33Å; E69-S78 WeakPolarHBondContact CB-OG 3.32Å; E69-S78 WeakPolarHBondContact CG-OG 3.33Å; E69-S78 PolarHBondContact O-N 3.2Å; E69-S78 PolarHBondContact O-OG 3.39Å; E69-N79 HydrophobicContact CB-CB 4.26Å; E69-N79 PolarHBondContact N-OD1 3.25Å
70	P	98.1	Very high	97.6	Very high	53 Å²	53	52.6 Å²	52.6	34%	0.344	28%	0.281	S	S	.	.	S	Bend	cis	-71.8	154.3	7.4	29.5	-35.7	0	0	0	113.4	A68 E72 A73 E76	A68-P70 CarbonylContact C-O 3.56Å; A68-P70 CarbonylContact O-C 3.56Å; P70-E72 PolarHBondContact O-N 2.51Å; P70-E72 VanDerWaalsContact O-N 3.11Å; P70-A73 PolarHBondContact O-N 3.45Å; P70-E76 WeakPolarHBondContact CD-O 3.45Å
71	P	98.1	Very high	97.6	Very high	30 Å²	30	57.6 Å²	57.6	20%	0.195	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-174.6	-26.8	36.1	0	0	0	114.2	A68 A73 V90 E91 R153	A68-P71 VanDerWaalsContact O-CA 3.3Å; A68-P71 WeakPolarHBondContact O-CA 3.4Å; P71-A73 VanDerWaalsContact C-N 3.35Å; P71-V90 CarbonylContact O-C 3.41Å; P71-V90 WeakPolarHBondContact O-CA 3.34Å; P71-V90 WeakPolarHBondContact O-CG1 3.35Å; P71-E91 HydrophobicContact CB-CB 4.28Å; P71-E91 HydrophobicContact CB-CG 4.32Å; P71-E91 PolarHBondContact O-N 3.19Å; P71-R153 VanDerWaalsContact CG-NH2 3.32Å
72	E	97.8	Very high	97.7	Very high	83 Å²	83	55.2 Å²	55.2	39%	0.388	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.7	-178.2	-63.1	-175.9	-154	0	0	113.4	P70 C74 G94 K100	P70-E72 PolarHBondContact O-N 2.51Å; P70-E72 VanDerWaalsContact O-N 3.11Å; E72-C74 PolarHBondContact O-N 3.36Å; E72-C74 PolarHBondContact O-SG 3.14Å; E72-G94 WeakPolarHBondContact OE2-CA 3.03Å; E72-G94 PolarHBondContact OE2-N 3.06Å; E72-K100 WeakPolarHBondContact O-CG 3.41Å; E72-K100 PolarHBondContact O-NZ 2.99Å
73	A	98.1	Very high	97.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.			trans	47.7	37.5	179.6	0	0	0	0	0	114.7	A68 P70 P71 G75 L77 V90 V103	A68-A73 HydrophobicContact CB-CB 4.42Å; P70-A73 PolarHBondContact O-N 3.45Å; P71-A73 VanDerWaalsContact C-N 3.35Å; A73-G75 VanDerWaalsContact C-N 3.31Å; A73-L77 HydrophobicContact CB-CD2 3.83Å; A73-V90 HydrophobicContact CB-CB 4.48Å; A73-V90 HydrophobicContact CB-CG1 3.74Å; A73-V90 HydrophobicContact CB-CG2 3.82Å; A73-V103 HydrophobicContact CB-CG1 4.34Å; A73-V103 WeakPolarHBondContact O-CB 3.37Å; A73-V103 WeakPolarHBondContact O-CG2 3.35Å
74	C	97.7	Very high	97.7	Very high	56 Å²	56	52.6 Å²	52.6	38%	0.378	28%	0.28	S	S	.	.	S	Bend	trans	-87.7	2	179.4	-65.3	0	0	0	0	113.8	E72 C95	E72-C74 PolarHBondContact O-N 3.36Å; E72-C74 PolarHBondContact O-SG 3.14Å; C74-C95 WeakPolarHBondContact CA-SG 3.45Å; C74-C95 HydrophobicContact CB-CB 3.8Å; C74-C95 WeakPolarHBondContact CB-SG 3.44Å; C74-C95 WeakPolarHBondContact SG-CB 3.44Å; C74-C95 PolarHBondContact SG-N 2.99Å; C74-C95 CovalentContact SG-SG 2.05Å; C74-C95 PolarHBondContact SG-SG 2.66Å
75	G	95.9	Very high	97.6	Very high	35 Å²	35	53.4 Å²	53.4	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	-162.2	-153.5	179.6	0	0	0	0	0	110.5	A73 L77 V103	A73-G75 VanDerWaalsContact C-N 3.31Å; G75-L77 PolarHBondContact O-N 2.82Å; G75-V103 WeakPolarHBondContact O-CG1 3.16Å
76	E	95.5	Very high	97.6	Very high	161 Å²	161	55.4 Å²	55.4	75%	0.752	30%	0.296	S	S	*	.			trans	-55.4	135.2	-179.8	-70.9	-64.3	147.6	0	0	112.9	P70 H107	P70-E76 WeakPolarHBondContact CD-O 3.45Å; E76-H107 IonicContact OE2-CE1 2.71Å; E76-H107 IonicContact OE2-NE2 2.97Å
77	L	97.8	Very high	97.6	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	30%	0.295	C	S	.	.			trans	-96.4	111.8	178.8	-64.3	177.3	0	0	0	109.7	A68 E69 A73 G75 N79 G80 I83 V103 V104 H107	A68-L77 HydrophobicContact CB-CD2 4.07Å; E69-L77 CarbonylContact O-C 3.51Å; E69-L77 WeakPolarHBondContact O-CA 3.33Å; A73-L77 HydrophobicContact CB-CD2 3.83Å; G75-L77 PolarHBondContact O-N 2.82Å; L77-N79 PolarHBondContact O-N 3.31Å; L77-N79 VanDerWaalsContact O-N 3.15Å; L77-G80 PolarHBondContact O-N 2.85Å; L77-I83 HydrophobicContact CD1-CD1 3.62Å; L77-V103 HydrophobicContact CD1-CG1 3.93Å; L77-V103 HydrophobicContact CD2-CG1 4.31Å; L77-V103 HydrophobicContact CG-CG1 3.81Å; L77-V104 HydrophobicContact CD1-CG2 4.45Å; L77-H107 HydrophobicContact CD1-CB 4.44Å
78	S	97.4	Very high	97.6	Very high	96 Å²	96	54.3 Å²	54.3	67%	0.671	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.2	178.1	66.3	0	0	0	0	112.9	E69	E69-S78 WeakPolarHBondContact CB-OG 3.32Å; E69-S78 WeakPolarHBondContact CG-OG 3.33Å; E69-S78 PolarHBondContact O-N 3.2Å; E69-S78 PolarHBondContact O-OG 3.39Å
79	N	97.3	Very high	97.6	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.15	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	20.5	178.9	76.2	-28.3	0	0	0	113	P67 E69 L77 F81 F82	P67-N79 PolarHBondContact O-ND2 2.88Å; E69-N79 HydrophobicContact CB-CB 4.26Å; E69-N79 PolarHBondContact N-OD1 3.25Å; L77-N79 PolarHBondContact O-N 3.31Å; L77-N79 VanDerWaalsContact O-N 3.15Å; N79-F81 PolarHBondContact O-N 3.12Å; N79-F82 HydrophobicContact CB-CD2 4.13Å; N79-F82 PolarHBondContact O-N 2.96Å
80	G	95.3	Very high	97.7	Very high	6 Å²	6	49.9 Å²	49.9	6%	0.062	27%	0.267	C	S	.	.	H	α-helix	trans	-54.3	-28.6	-178.4	0	0	0	0	0	114.3	L77 F82 I83 Q84	L77-G80 PolarHBondContact O-N 2.85Å; G80-F82 VanDerWaalsContact C-N 3.29Å; G80-F82 PolarHBondContact O-N 2.76Å; G80-I83 WeakPolarHBondContact O-CB 3.47Å; G80-I83 PolarHBondContact O-N 3.33Å; G80-Q84 PolarHBondContact O-N 2.88Å; G80-Q84 VanDerWaalsContact O-N 3.12Å
81	F	96.9	Very high	97.7	Very high	169 Å²	169	49.7 Å²	49.7	74%	0.741	26%	0.262	S	S	*	.	H	α-helix	trans	-58.7	-36.5	173.5	178.5	-98.3	0	0	0	113.5	N79 I83	N79-F81 PolarHBondContact O-N 3.12Å; F81-I83 VanDerWaalsContact C-N 3.3Å
82	F	97.3	Very high	97.7	Very high	96 Å²	96	52.5 Å²	52.5	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-75.6	-22.4	176.2	-65.5	-59.4	0	0	0	112.5	V66 N79 G80 Q86 W163	V66-F82 HydrophobicContact CG1-CB 3.87Å; V66-F82 WeakPolarHBondContact CG2-O 3.4Å; N79-F82 HydrophobicContact CB-CD2 4.13Å; N79-F82 PolarHBondContact O-N 2.96Å; G80-F82 VanDerWaalsContact C-N 3.29Å; G80-F82 PolarHBondContact O-N 2.76Å; F82-Q86 VanDerWaalsContact O-CG 3.27Å; F82-Q86 WeakPolarHBondContact O-CG 3.2Å; F82-W163 HydrophobicContact CD1-CE3 4.38Å; F82-W163 AromaticContact CD1-CZ3 3.64Å; F82-W163 HydrophobicContact CD1-CZ3 3.64Å; F82-W163 AromaticContact CE1-CZ3 3.93Å; F82-W163 HydrophobicContact CE1-CZ3 3.93Å; F82-W163 HydrophobicContact CG-CZ3 4.32Å
83	I	98.3	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-82.7	-25.4	-178.2	-68.5	169.4	0	0	0	111.7	V66 A68 L77 G80 F81 D85 Q86 A88 V104	V66-I83 HydrophobicContact CB-CG1 4.09Å; V66-I83 HydrophobicContact CG1-CG1 3.88Å; A68-I83 HydrophobicContact CB-CD1 4.28Å; L77-I83 HydrophobicContact CD1-CD1 3.62Å; G80-I83 WeakPolarHBondContact O-CB 3.47Å; G80-I83 PolarHBondContact O-N 3.33Å; F81-I83 VanDerWaalsContact C-N 3.3Å; I83-D85 PolarHBondContact O-N 2.85Å; I83-Q86 WeakPolarHBondContact O-CA 3.22Å; I83-Q86 PolarHBondContact O-N 2.92Å; I83-A88 HydrophobicContact CD1-CB 4.21Å; I83-A88 HydrophobicContact CG1-CB 4.36Å; I83-A88 HydrophobicContact CG2-CB 4.03Å; I83-V104 HydrophobicContact CG2-CG1 4.11Å
84	Q	98.3	Very high	97.5	Very high	104 Å²	104	53 Å²	53	49%	0.486	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	126.8	177.4	-174.8	177.5	-7.6	0	0	110.9	G80 Q86	G80-Q84 PolarHBondContact O-N 2.88Å; G80-Q84 VanDerWaalsContact O-N 3.12Å; Q84-Q86 PolarHBondContact O-N 2.8Å
85	D	98.2	Very high	97.5	Very high	74 Å²	74	52.5 Å²	52.5	40%	0.396	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	12.9	-175.8	-66.4	-56.6	0	0	0	115.5	I83 G108 R110	I83-D85 PolarHBondContact O-N 2.85Å; D85-G108 PolarHBondContact N-O 2.86Å; D85-R110 WeakPolarHBondContact O-CG 3.46Å; D85-R110 IonicContact OD1-CZ 3.04Å; D85-R110 IonicContact OD1-NE 2.74Å; D85-R110 PolarHBondContact OD1-NE 2.9Å; D85-R110 IonicContact OD1-NH2 3.93Å; D85-R110 PolarHBondContact OD1-NH2 3.45Å
86	Q	98.6	Very high	97.6	Very high	42 Å²	42	52.4 Å²	52.4	20%	0.196	29%	0.287	C	S	.	.	S	Bend	trans	-121.9	-179.7	179.8	-54.6	-54.8	-26.6	0	0	112	I63 H64 V66 F82 I83 Q84 G109 R110	I63-Q86 VanDerWaalsContact CG1-OE1 3.23Å; H64-Q86 HydrophobicContact CB-CB 4.15Å; H64-Q86 HydrophobicContact CB-CG 3.92Å; V66-Q86 HydrophobicContact CG2-CB 3.96Å; V66-Q86 HydrophobicContact CG2-CG 4.38Å; F82-Q86 VanDerWaalsContact O-CG 3.27Å; F82-Q86 WeakPolarHBondContact O-CG 3.2Å; I83-Q86 WeakPolarHBondContact O-CA 3.22Å; I83-Q86 PolarHBondContact O-N 2.92Å; Q84-Q86 PolarHBondContact O-N 2.8Å; Q86-G109 CarbonylContact O-C 3.56Å; Q86-G109 WeakPolarHBondContact O-CA 3.33Å; Q86-R110 PolarHBondContact O-N 3.11Å
87	I	98.7	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.1	175.7	-60.3	-177.1	0	0	0	108.8	F56 I63 H64 L65 V66 A111 I113 I166 I168	F56-I87 HydrophobicContact CE1-CD1 4.45Å; I63-I87 HydrophobicContact CD1-CD1 4.09Å; I63-I87 HydrophobicContact CD1-CG1 3.76Å; I63-I87 HydrophobicContact CG1-CG1 4.2Å; I63-I87 HydrophobicContact CG2-CD1 3.76Å; I63-I87 HydrophobicContact CG2-CG1 4.27Å; H64-I87 PolarHBondContact O-N 3.02Å; L65-I87 WeakPolarHBondContact CA-O 3.42Å; L65-I87 HydrophobicContact CD1-CB 4.29Å; L65-I87 HydrophobicContact CD1-CG2 3.74Å; V66-I87 PolarHBondContact N-O 3.49Å; I87-A111 WeakPolarHBondContact CA-O 3.3Å; I87-A111 HydrophobicContact CD1-CB 4.14Å; I87-A111 HydrophobicContact CG1-CB 4.01Å; I87-A111 HydrophobicContact CG2-CB 4.2Å; I87-I113 HydrophobicContact CG2-CD1 4.11Å; I87-I113 HydrophobicContact CG2-CG1 3.92Å; I87-I166 HydrophobicContact CD1-CD1 4.25Å; I87-I168 HydrophobicContact CD1-CG2 3.6Å
88	A	98.8	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.7	176.1	0	0	0	0	0	111.4	V66 I83 V90 V104 A111 I113	V66-A88 CarbonylContact O-C 3.57Å; V66-A88 WeakPolarHBondContact O-CA 3.4Å; I83-A88 HydrophobicContact CD1-CB 4.21Å; I83-A88 HydrophobicContact CG1-CB 4.36Å; I83-A88 HydrophobicContact CG2-CB 4.03Å; A88-V90 HydrophobicContact CB-CG2 4.18Å; A88-V104 HydrophobicContact CB-CB 4.35Å; A88-V104 HydrophobicContact CB-CG1 3.64Å; A88-V104 HydrophobicContact CB-CG2 3.69Å; A88-A111 PolarHBondContact N-O 2.77Å; A88-A111 VanDerWaalsContact N-O 3.12Å; A88-I113 PolarHBondContact O-N 3.02Å
89	L	98.8	Very high	97.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.3	165.1	178.2	64.5	0	0	0	108.6	L65 V66 A68 I113 L144 I152 R153	L65-L89 HydrophobicContact CD1-CB 3.82Å; L65-L89 HydrophobicContact CG-CB 4.05Å; V66-L89 PolarHBondContact O-N 2.74Å; A68-L89 PolarHBondContact N-O 2.76Å; L89-I113 WeakPolarHBondContact CA-O 3.15Å; L89-I113 HydrophobicContact CD1-CB 4.38Å; L89-I113 HydrophobicContact CD1-CG2 4.11Å; L89-L144 HydrophobicContact CD1-CD2 4.33Å; L89-I152 HydrophobicContact CD2-CB 4.33Å; L89-I152 HydrophobicContact CD2-CG2 3.78Å; L89-R153 HydrophobicContact CD2-CG 3.68Å
90	V	98.8	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.9	-173.8	174.6	0	0	0	0	109.1	A68 P71 A73 A88 K100 V104 V112 I113 I114 S115	A68-V90 HydrophobicContact CB-CG2 3.86Å; P71-V90 CarbonylContact O-C 3.41Å; P71-V90 WeakPolarHBondContact O-CA 3.34Å; P71-V90 WeakPolarHBondContact O-CG1 3.35Å; A73-V90 HydrophobicContact CB-CB 4.48Å; A73-V90 HydrophobicContact CB-CG1 3.74Å; A73-V90 HydrophobicContact CB-CG2 3.82Å; A88-V90 HydrophobicContact CB-CG2 4.18Å; V90-K100 HydrophobicContact CG1-CB 4.25Å; V90-K100 HydrophobicContact CG1-CD 3.93Å; V90-K100 HydrophobicContact CG1-CG 4.22Å; V90-V104 HydrophobicContact CG2-CG2 3.99Å; V90-V112 HydrophobicContact CB-CG2 4.09Å; V90-V112 HydrophobicContact CG2-CG2 3.71Å; V90-I113 PolarHBondContact N-O 2.83Å; V90-I114 HydrophobicContact CB-CG1 4.42Å; V90-I114 CarbonylContact O-C 3.48Å; V90-I114 VanDerWaalsContact O-CA 3.23Å; V90-I114 WeakPolarHBondContact O-CA 3.5Å; V90-S115 PolarHBondContact O-N 3.45Å; V90-S115 PolarHBondContact O-OG 3.43Å
91	E	98.3	Very high	98	Very high	49 Å²	49	40.5 Å²	40.5	23%	0.229	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.4	173.3	-72.7	-174.8	165.8	0	0	112.3	P71 K100 R153	P71-E91 HydrophobicContact CB-CB 4.28Å; P71-E91 HydrophobicContact CB-CG 4.32Å; P71-E91 PolarHBondContact O-N 3.19Å; E91-K100 PolarHBondContact O-NZ 3.13Å; E91-R153 WeakPolarHBondContact OE1-CD 3.1Å; E91-R153 IonicContact OE1-CZ 2.67Å; E91-R153 IonicContact OE1-NE 3.66Å; E91-R153 IonicContact OE1-NH1 3.92Å; E91-R153 PolarHBondContact OE1-NH1 3Å; E91-R153 IonicContact OE2-NH1 3.62Å; E91-R153 PolarHBondContact OE2-NH1 3.36Å
92	R	97.8	Very high	98.1	Very high	89 Å²	89	35.4 Å²	35.4	34%	0.336	20%	0.196	S	C	.	.	S	Bend	trans	-66.1	138.5	170.6	-174.3	-168.6	176.1	-162.4	-3.3	110.5	F97 I114 S115 D116 N117	R92-F97 HydrophobicContact CB-CE1 4.44Å; R92-F97 HydrophobicContact CG-CE1 3.9Å; R92-F97 HydrophobicContact CG-CZ 4.13Å; R92-I114 HydrophobicContact CB-CG2 4.41Å; R92-S115 WeakPolarHBondContact CB-O 3.4Å; R92-S115 PolarHBondContact N-O 2.05Å; R92-D116 WeakPolarHBondContact CD-OD1 3.04Å; R92-D116 IonicContact CZ-OD1 3.89Å; R92-D116 IonicContact NE-OD1 3.67Å; R92-D116 IonicContact NH1-OD1 2.74Å; R92-D116 PolarHBondContact NH1-OD1 3.43Å; R92-D116 IonicContact NH1-OD2 3.89Å; R92-N117 WeakPolarHBondContact O-CB 3.45Å
93	G	96.2	Very high	98.1	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	18%	0.181	C	C	.	.			trans	144.1	162.4	-177.7	0	0	0	0	0	111.6	C95 K100	G93-C95 PolarHBondContact O-N 3.32Å; G93-K100 WeakPolarHBondContact O-CE 3.4Å; G93-K100 PolarHBondContact O-NZ 3Å
94	G	96.8	Very high	98.1	Very high	75 Å²	75	31.7 Å²	31.7	77%	0.773	18%	0.181	S	C	*	.	S	Bend	trans	69.4	-43.8	168.8	0	0	0	0	0	118.5	E72	E72-G94 WeakPolarHBondContact OE2-CA 3.03Å; E72-G94 PolarHBondContact OE2-N 3.06Å
95	C	97.5	Very high	98.1	Very high	44 Å²	44	29.2 Å²	29.2	30%	0.297	17%	0.169	S	C	.	.	S	Bend	trans	-150.2	173.6	-174.5	61.2	0	0	0	0	112	C74 G93 K100	C74-C95 WeakPolarHBondContact CA-SG 3.45Å; C74-C95 HydrophobicContact CB-CB 3.8Å; C74-C95 WeakPolarHBondContact CB-SG 3.44Å; C74-C95 WeakPolarHBondContact SG-CB 3.44Å; C74-C95 PolarHBondContact SG-N 2.99Å; C74-C95 CovalentContact SG-SG 2.05Å; C74-C95 PolarHBondContact SG-SG 2.66Å; G93-C95 PolarHBondContact O-N 3.32Å; C95-K100 WeakPolarHBondContact O-CE 3.27Å
96	S	97.9	Very high	98.1	Very high	33 Å²	33	31.7 Å²	31.7	23%	0.231	18%	0.179	C	C	.	.			trans	-67.7	153.3	-178	67.3	0	0	0	0	113	L98 S99 K100 D131	S96-L98 PolarHBondContact O-N 3.09Å; S96-S99 PolarHBondContact O-N 2.64Å; S96-S99 WeakPolarHBondContact OG-CB 3.3Å; S96-S99 PolarHBondContact OG-N 2.74Å; S96-S99 VanDerWaalsContact OG-N 3.13Å; S96-S99 PolarHBondContact OG-OG 2.96Å; S96-K100 WeakPolarHBondContact O-CG 3.4Å; S96-K100 PolarHBondContact O-N 2.86Å; S96-K100 VanDerWaalsContact O-N 3.09Å; S96-D131 PolarHBondContact OG-OD2 2.81Å
97	F	98.3	Very high	98.1	Very high	28 Å²	28	31.8 Å²	31.8	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-56.3	-39.4	174.2	-61.8	-65.7	0	0	0	112.5	F52 R92 K100 T101 I114 V126 M128 F143	F52-F97 HydrophobicContact CE1-CB 4.19Å; F52-F97 HydrophobicContact CZ-CB 3.68Å; R92-F97 HydrophobicContact CB-CE1 4.44Å; R92-F97 HydrophobicContact CG-CE1 3.9Å; R92-F97 HydrophobicContact CG-CZ 4.13Å; F97-K100 PolarHBondContact O-N 3.06Å; F97-T101 WeakPolarHBondContact O-CB 3.35Å; F97-T101 PolarHBondContact O-N 2.95Å; F97-T101 PolarHBondContact O-OG1 2.95Å; F97-I114 HydrophobicContact CB-CD1 4.24Å; F97-I114 HydrophobicContact CD1-CD1 3.89Å; F97-I114 HydrophobicContact CD1-CG2 4.01Å; F97-I114 HydrophobicContact CE1-CG2 4.05Å; F97-V126 HydrophobicContact CE2-CG1 4.14Å; F97-V126 HydrophobicContact CZ-CG1 4.11Å; F97-M128 HydrophobicContact CB-CB 4.2Å; F97-M128 HydrophobicContact CB-CG 4.35Å; F97-M128 HydrophobicContact CB-SD 4.2Å; F97-M128 HydrophobicContact CD1-CG 3.81Å; F97-M128 HydrophobicContact CD1-SD 3.59Å; F97-M128 VanDerWaalsContact CD1-SD 3.59Å; F97-M128 HydrophobicContact CD2-CB 3.83Å; F97-M128 HydrophobicContact CD2-CG 3.8Å; F97-M128 HydrophobicContact CE1-CG 3.94Å; F97-M128 HydrophobicContact CE1-SD 4.02Å; F97-M128 HydrophobicContact CE2-CB 4.29Å; F97-M128 HydrophobicContact CE2-CG 3.92Å; F97-M128 HydrophobicContact CG-CB 3.96Å; F97-M128 HydrophobicContact CG-CG 3.74Å; F97-M128 HydrophobicContact CG-SD 3.9Å; F97-M128 HydrophobicContact CZ-CG 3.99Å; F97-F143 HydrophobicContact CE1-CD2 4.22Å; F97-F143 HydrophobicContact CE1-CE2 4.27Å; F97-F143 HydrophobicContact CZ-CD2 4.42Å; F97-F143 HydrophobicContact CZ-CE2 4.28Å
98	L	97.9	Very high	98.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-42.5	175.2	179.9	59.3	0	0	0	111.8	F52 S96 K100 T101 R102 Q130 D131 R135 A137	F52-L98 HydrophobicContact CB-CD1 4.16Å; F52-L98 HydrophobicContact CD2-CD1 3.93Å; F52-L98 HydrophobicContact CG-CD1 4.13Å; S96-L98 PolarHBondContact O-N 3.09Å; L98-K100 PolarHBondContact O-N 3.13Å; L98-T101 PolarHBondContact O-N 3.3Å; L98-R102 HydrophobicContact CD1-CG 4.32Å; L98-R102 WeakPolarHBondContact O-CG 3.31Å; L98-R102 PolarHBondContact O-N 3.4Å; L98-Q130 HydrophobicContact CD2-CB 4.47Å; L98-D131 WeakPolarHBondContact CD2-OD1 3.41Å; L98-R135 HydrophobicContact CD2-CB 4.24Å; L98-R135 WeakPolarHBondContact CD2-O 3.36Å; L98-A137 HydrophobicContact CD1-CB 3.68Å
99	S	98.1	Very high	98	Very high	23 Å²	23	33.5 Å²	33.5	16%	0.161	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-44.2	178.2	-60.4	0	0	0	0	111.5	S96 T101 R102 V103 R135	S96-S99 PolarHBondContact O-N 2.64Å; S96-S99 WeakPolarHBondContact OG-CB 3.3Å; S96-S99 PolarHBondContact OG-N 2.74Å; S96-S99 VanDerWaalsContact OG-N 3.13Å; S96-S99 PolarHBondContact OG-OG 2.96Å; S99-T101 PolarHBondContact O-N 2.83Å; S99-R102 PolarHBondContact O-N 2.85Å; S99-V103 WeakPolarHBondContact O-CG2 3.46Å; S99-V103 PolarHBondContact O-N 2.88Å; S99-R135 PolarHBondContact OG-NH2 2.9Å; S99-R135 VanDerWaalsContact OG-NH2 3.12Å
100	K	98.5	Very high	98	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-47.9	175	-64	172.7	-177.5	-73.8	0	111.9	E72 V90 E91 G93 C95 S96 F97 L98 R102 V103 V104 I114	E72-K100 WeakPolarHBondContact O-CG 3.41Å; E72-K100 PolarHBondContact O-NZ 2.99Å; V90-K100 HydrophobicContact CG1-CB 4.25Å; V90-K100 HydrophobicContact CG1-CD 3.93Å; V90-K100 HydrophobicContact CG1-CG 4.22Å; E91-K100 PolarHBondContact O-NZ 3.13Å; G93-K100 WeakPolarHBondContact O-CE 3.4Å; G93-K100 PolarHBondContact O-NZ 3Å; C95-K100 WeakPolarHBondContact O-CE 3.27Å; S96-K100 WeakPolarHBondContact O-CG 3.4Å; S96-K100 PolarHBondContact O-N 2.86Å; S96-K100 VanDerWaalsContact O-N 3.09Å; F97-K100 PolarHBondContact O-N 3.06Å; L98-K100 PolarHBondContact O-N 3.13Å; K100-R102 VanDerWaalsContact C-N 3.3Å; K100-R102 PolarHBondContact O-N 3.41Å; K100-V103 PolarHBondContact O-N 2.76Å; K100-V104 WeakPolarHBondContact O-CG2 3.29Å; K100-V104 PolarHBondContact O-N 2.91Å; K100-V104 VanDerWaalsContact O-N 3.13Å; K100-I114 HydrophobicContact CB-CD1 4.1Å; K100-I114 HydrophobicContact CD-CD1 4.16Å; K100-I114 HydrophobicContact CD-CG2 4.27Å
101	T	98.5	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-40.8	-179.6	-52.9	0	0	0	0	111.2	F52 F97 L98 S99 V104 Q105 V112 A137 I139 A141	F52-T101 HydrophobicContact CE2-CG2 4.4Å; F52-T101 WeakPolarHBondContact CE2-OG1 3.36Å; F97-T101 WeakPolarHBondContact O-CB 3.35Å; F97-T101 PolarHBondContact O-N 2.95Å; F97-T101 PolarHBondContact O-OG1 2.95Å; L98-T101 PolarHBondContact O-N 3.3Å; S99-T101 PolarHBondContact O-N 2.83Å; T101-V104 PolarHBondContact O-N 2.88Å; T101-Q105 WeakPolarHBondContact O-CB 3.41Å; T101-Q105 PolarHBondContact O-N 2.66Å; T101-V112 HydrophobicContact CG2-CG1 3.78Å; T101-A137 HydrophobicContact CG2-CB 3.56Å; T101-I139 HydrophobicContact CG2-CD1 4.14Å; T101-I139 HydrophobicContact CG2-CG1 3.67Å; T101-A141 HydrophobicContact CG2-CB 4.01Å
102	R	98.1	Very high	98	Very high	61 Å²	61	36.9 Å²	36.9	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-45	176.7	-75.5	-173.4	61.1	91.2	11.8	112.9	L98 S99 K100 V104 Q105 E106 T136 A137	L98-R102 HydrophobicContact CD1-CG 4.32Å; L98-R102 WeakPolarHBondContact O-CG 3.31Å; L98-R102 PolarHBondContact O-N 3.4Å; S99-R102 PolarHBondContact O-N 2.85Å; K100-R102 VanDerWaalsContact C-N 3.3Å; K100-R102 PolarHBondContact O-N 3.41Å; R102-V104 VanDerWaalsContact C-N 3.29Å; R102-V104 PolarHBondContact O-N 2.96Å; R102-Q105 WeakPolarHBondContact O-CB 3.47Å; R102-Q105 PolarHBondContact O-N 2.8Å; R102-Q105 VanDerWaalsContact O-N 3.15Å; R102-E106 IonicContact CZ-OE1 3.8Å; R102-E106 IonicContact NE-OE1 3.7Å; R102-E106 IonicContact NH2-OE1 2.79Å; R102-E106 PolarHBondContact NH2-OE1 2.9Å; R102-E106 WeakPolarHBondContact O-CB 3.48Å; R102-E106 VanDerWaalsContact O-CG 3.26Å; R102-E106 WeakPolarHBondContact O-CG 3.46Å; R102-E106 PolarHBondContact O-N 2.82Å; R102-T136 WeakPolarHBondContact CD-O 3.39Å; R102-T136 WeakPolarHBondContact CG-O 3.27Å; R102-T136 PolarHBondContact NH1-O 2.98Å; R102-A137 HydrophobicContact CG-CB 4.07Å
103	V	98.4	Very high	98.1	Very high	19 Å²	19	32.6 Å²	32.6	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-45.6	176.9	166.6	0	0	0	0	110.6	A73 G75 L77 S99 K100 E106 H107	A73-V103 HydrophobicContact CB-CG1 4.34Å; A73-V103 WeakPolarHBondContact O-CB 3.37Å; A73-V103 WeakPolarHBondContact O-CG2 3.35Å; G75-V103 WeakPolarHBondContact O-CG1 3.16Å; L77-V103 HydrophobicContact CD1-CG1 3.93Å; L77-V103 HydrophobicContact CD2-CG1 4.31Å; L77-V103 HydrophobicContact CG-CG1 3.81Å; S99-V103 WeakPolarHBondContact O-CG2 3.46Å; S99-V103 PolarHBondContact O-N 2.88Å; K100-V103 PolarHBondContact O-N 2.76Å; V103-E106 PolarHBondContact O-N 3.4Å; V103-H107 PolarHBondContact O-N 2.78Å; V103-H107 PolarHBondContact O-ND1 2.75Å
104	V	98.6	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-43.1	176.6	172.7	0	0	0	0	111.5	L77 I83 A88 V90 K100 T101 R102 E106 H107 G108 G109 V112 I139	L77-V104 HydrophobicContact CD1-CG2 4.45Å; I83-V104 HydrophobicContact CG2-CG1 4.11Å; A88-V104 HydrophobicContact CB-CB 4.35Å; A88-V104 HydrophobicContact CB-CG1 3.64Å; A88-V104 HydrophobicContact CB-CG2 3.69Å; V90-V104 HydrophobicContact CG2-CG2 3.99Å; K100-V104 WeakPolarHBondContact O-CG2 3.29Å; K100-V104 PolarHBondContact O-N 2.91Å; K100-V104 VanDerWaalsContact O-N 3.13Å; T101-V104 PolarHBondContact O-N 2.88Å; R102-V104 VanDerWaalsContact C-N 3.29Å; R102-V104 PolarHBondContact O-N 2.96Å; V104-E106 PolarHBondContact O-N 2.79Å; V104-H107 PolarHBondContact O-N 2.68Å; V104-G108 PolarHBondContact O-N 3.35Å; V104-G109 PolarHBondContact O-N 2.83Å; V104-V112 HydrophobicContact CB-CB 4.45Å; V104-V112 HydrophobicContact CG1-CB 4.28Å; V104-V112 HydrophobicContact CG2-CB 4.4Å; V104-V112 HydrophobicContact CG2-CG2 4.01Å; V104-I139 HydrophobicContact CB-CD1 4.17Å; V104-I139 HydrophobicContact CG1-CD1 3.78Å
105	Q	98.4	Very high	98.2	Very high	51 Å²	51	28.1 Å²	28.1	24%	0.238	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-42	176.7	177.2	169.2	-49.2	0	0	112.3	T101 R102 H107 G108 D138 I139	T101-Q105 WeakPolarHBondContact O-CB 3.41Å; T101-Q105 PolarHBondContact O-N 2.66Å; R102-Q105 WeakPolarHBondContact O-CB 3.47Å; R102-Q105 PolarHBondContact O-N 2.8Å; R102-Q105 VanDerWaalsContact O-N 3.15Å; Q105-H107 PolarHBondContact O-N 2.78Å; Q105-G108 PolarHBondContact O-N 3.04Å; Q105-D138 PolarHBondContact NE2-OD2 2.92Å; Q105-I139 HydrophobicContact CB-CD1 3.9Å; Q105-I139 HydrophobicContact CB-CG1 4.09Å; Q105-I139 HydrophobicContact CB-CG2 4.16Å; Q105-I139 HydrophobicContact CG-CG2 4Å; Q105-I139 VanDerWaalsContact OE1-N 3.15Å
106	E	97.7	Very high	98.2	Very high	126 Å²	126	26.4 Å²	26.4	59%	0.589	13%	0.133	S	C	*	.	H	α-helix	trans	-64.9	-25.9	179.1	-73.2	164.9	-173.5	0	0	111.8	R102 V103 V104 G108	R102-E106 IonicContact CZ-OE1 3.8Å; R102-E106 IonicContact NE-OE1 3.7Å; R102-E106 IonicContact NH2-OE1 2.79Å; R102-E106 PolarHBondContact NH2-OE1 2.9Å; R102-E106 WeakPolarHBondContact O-CB 3.48Å; R102-E106 VanDerWaalsContact O-CG 3.26Å; R102-E106 WeakPolarHBondContact O-CG 3.46Å; R102-E106 PolarHBondContact O-N 2.82Å; V103-E106 PolarHBondContact O-N 3.4Å; V104-E106 PolarHBondContact O-N 2.79Å; E106-G108 VanDerWaalsContact C-N 3.32Å
107	H	97.8	Very high	98	Very high	45 Å²	45	29.2 Å²	29.2	21%	0.208	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.7	171.1	-70	80.6	0	0	0	114	E76 L77 V103 V104 Q105	E76-H107 IonicContact OE2-CE1 2.71Å; E76-H107 IonicContact OE2-NE2 2.97Å; L77-H107 HydrophobicContact CD1-CB 4.44Å; V103-H107 PolarHBondContact O-N 2.78Å; V103-H107 PolarHBondContact O-ND1 2.75Å; V104-H107 PolarHBondContact O-N 2.68Å; Q105-H107 PolarHBondContact O-N 2.78Å
108	G	98.1	Very high	97.8	Very high	32 Å²	32	29.3 Å²	29.3	33%	0.33	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	18.1	177.5	0	0	0	0	0	114.7	D85 V104 Q105 E106	D85-G108 PolarHBondContact N-O 2.86Å; V104-G108 PolarHBondContact O-N 3.35Å; Q105-G108 PolarHBondContact O-N 3.04Å; E106-G108 VanDerWaalsContact C-N 3.32Å
109	G	98.2	Very high	97.4	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	17%	0.171	C	C	.	.			trans	-63.1	144	172.5	0	0	0	0	0	111.9	Q86 V104 I139	Q86-G109 CarbonylContact O-C 3.56Å; Q86-G109 WeakPolarHBondContact O-CA 3.33Å; V104-G109 PolarHBondContact O-N 2.83Å; G109-I139 WeakPolarHBondContact O-CG2 3.45Å
110	R	98.2	Very high	97	Very high	121 Å²	121	36.8 Å²	36.8	46%	0.457	19%	0.192	S	C	.	.	S	Bend	trans	-86.2	-25.8	-178.7	-65.6	-66.7	-175.8	164.2	-3.1	113.5	I63 D85 Q86 P140	I63-R110 HydrophobicContact CD1-CB 4.39Å; D85-R110 WeakPolarHBondContact O-CG 3.46Å; D85-R110 IonicContact OD1-CZ 3.04Å; D85-R110 IonicContact OD1-NE 2.74Å; D85-R110 PolarHBondContact OD1-NE 2.9Å; D85-R110 IonicContact OD1-NH2 3.93Å; D85-R110 PolarHBondContact OD1-NH2 3.45Å; Q86-R110 PolarHBondContact O-N 3.11Å; R110-P140 VanDerWaalsContact O-CD 3.31Å; R110-P140 WeakPolarHBondContact O-CD 3.23Å
111	A	98.5	Very high	96.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	166.9	173	0	0	0	0	0	109.4	F56 I87 A88 P140	F56-A111 HydrophobicContact CE1-CB 4.01Å; F56-A111 HydrophobicContact CZ-CB 3.69Å; I87-A111 WeakPolarHBondContact CA-O 3.3Å; I87-A111 HydrophobicContact CD1-CB 4.14Å; I87-A111 HydrophobicContact CG1-CB 4.01Å; I87-A111 HydrophobicContact CG2-CB 4.2Å; A88-A111 PolarHBondContact N-O 2.77Å; A88-A111 VanDerWaalsContact N-O 3.12Å; A111-P140 CarbonylContact C-O 3.57Å; A111-P140 VanDerWaalsContact CA-O 3.32Å; A111-P140 WeakPolarHBondContact CA-O 3.4Å; A111-P140 HydrophobicContact CB-CB 4.07Å; A111-P140 HydrophobicContact CB-CG 4.35Å; A111-P140 WeakPolarHBondContact CB-O 3.22Å
112	V	98.7	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.1	171.2	66.9	0	0	0	0	110.5	V90 T101 V104 I114 P140 A141 L142	V90-V112 HydrophobicContact CB-CG2 4.09Å; V90-V112 HydrophobicContact CG2-CG2 3.71Å; T101-V112 HydrophobicContact CG2-CG1 3.78Å; V104-V112 HydrophobicContact CB-CB 4.45Å; V104-V112 HydrophobicContact CG1-CB 4.28Å; V104-V112 HydrophobicContact CG2-CB 4.4Å; V104-V112 HydrophobicContact CG2-CG2 4.01Å; V112-I114 HydrophobicContact CG1-CD1 4.34Å; V112-I114 HydrophobicContact CG1-CG1 4.25Å; V112-I114 HydrophobicContact CG2-CD1 4.4Å; V112-I114 HydrophobicContact CG2-CG1 3.73Å; V112-P140 PolarHBondContact N-O 3.28Å; V112-A141 HydrophobicContact CG1-CB 3.68Å; V112-A141 WeakPolarHBondContact O-CA 3.27Å; V112-L142 PolarHBondContact O-N 2.75Å
113	I	98.8	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.5	167.3	-60.5	-179.2	0	0	0	106.6	F32 L65 I87 A88 L89 V90 L142 L144 I166 I168	F32-I113 HydrophobicContact CD1-CD1 4.2Å; F32-I113 HydrophobicContact CE1-CD1 4.05Å; F32-I113 HydrophobicContact CZ-CD1 4.26Å; L65-I113 HydrophobicContact CD1-CB 4.41Å; L65-I113 HydrophobicContact CD1-CD1 3.87Å; L65-I113 HydrophobicContact CD1-CG1 4.38Å; I87-I113 HydrophobicContact CG2-CD1 4.11Å; I87-I113 HydrophobicContact CG2-CG1 3.92Å; A88-I113 PolarHBondContact O-N 3.02Å; L89-I113 WeakPolarHBondContact CA-O 3.15Å; L89-I113 HydrophobicContact CD1-CB 4.38Å; L89-I113 HydrophobicContact CD1-CG2 4.11Å; V90-I113 PolarHBondContact N-O 2.83Å; I113-L142 CarbonylContact C-O 3.58Å; I113-L142 WeakPolarHBondContact CA-O 3.38Å; I113-L142 HydrophobicContact CG1-CB 4.3Å; I113-L142 HydrophobicContact CG1-CD1 4.18Å; I113-L144 HydrophobicContact CG2-CB 3.71Å; I113-L144 HydrophobicContact CG2-CD2 3.97Å; I113-L144 HydrophobicContact CG2-CG 4.42Å; I113-I166 HydrophobicContact CD1-CD1 4.39Å; I113-I168 HydrophobicContact CD1-CD1 4.4Å
114	I	98.7	Very high	95	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.8	-178.9	-52.7	178.3	0	0	0	108.2	V90 R92 F97 K100 V112 M128 L142 F143 L144	V90-I114 HydrophobicContact CB-CG1 4.42Å; V90-I114 CarbonylContact O-C 3.48Å; V90-I114 VanDerWaalsContact O-CA 3.23Å; V90-I114 WeakPolarHBondContact O-CA 3.5Å; R92-I114 HydrophobicContact CB-CG2 4.41Å; F97-I114 HydrophobicContact CB-CD1 4.24Å; F97-I114 HydrophobicContact CD1-CD1 3.89Å; F97-I114 HydrophobicContact CD1-CG2 4.01Å; F97-I114 HydrophobicContact CE1-CG2 4.05Å; K100-I114 HydrophobicContact CB-CD1 4.1Å; K100-I114 HydrophobicContact CD-CD1 4.16Å; K100-I114 HydrophobicContact CD-CG2 4.27Å; V112-I114 HydrophobicContact CG1-CD1 4.34Å; V112-I114 HydrophobicContact CG1-CG1 4.25Å; V112-I114 HydrophobicContact CG2-CD1 4.4Å; V112-I114 HydrophobicContact CG2-CG1 3.73Å; I114-M128 HydrophobicContact CB-SD 4.19Å; I114-M128 HydrophobicContact CD1-SD 3.95Å; I114-M128 HydrophobicContact CG1-SD 4.43Å; I114-L142 PolarHBondContact N-O 2.79Å; I114-F143 CarbonylContact O-C 3.57Å; I114-F143 WeakPolarHBondContact O-CA 3.2Å; I114-L144 PolarHBondContact O-N 2.74Å
115	S	98.1	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.5	173.5	61.2	0	0	0	0	111.7	V90 R92 L144	V90-S115 PolarHBondContact O-N 3.45Å; V90-S115 PolarHBondContact O-OG 3.43Å; R92-S115 WeakPolarHBondContact CB-O 3.4Å; R92-S115 PolarHBondContact N-O 2.05Å; S115-L144 CarbonylContact C-O 3.59Å; S115-L144 VanDerWaalsContact CA-O 3.3Å; S115-L144 WeakPolarHBondContact CA-O 3.37Å
116	D	97.3	Very high	94.4	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.043	25%	0.248	C	C	.	.			trans	-59.5	154.7	166.4	-155.1	12.8	0	0	0	110.9	R92 N121 F143 L144 G146	R92-D116 WeakPolarHBondContact CD-OD1 3.04Å; R92-D116 IonicContact CZ-OD1 3.89Å; R92-D116 IonicContact NE-OD1 3.67Å; R92-D116 IonicContact NH1-OD1 2.74Å; R92-D116 PolarHBondContact NH1-OD1 3.43Å; R92-D116 IonicContact NH1-OD2 3.89Å; D116-N121 PolarHBondContact OD2-ND2 3.04Å; D116-F143 HydrophobicContact CB-CE1 4.46Å; D116-F143 HydrophobicContact CB-CE2 4.33Å; D116-F143 HydrophobicContact CB-CZ 3.7Å; D116-L144 PolarHBondContact N-O 3.04Å; D116-G146 VanDerWaalsContact O-CA 3.26Å; D116-G146 WeakPolarHBondContact O-CA 3.07Å
117	N	93.3	Very high	94.2	Very high	92 Å²	92	44.5 Å²	44.5	49%	0.492	24%	0.238	S	C	.	.	S	Bend	trans	-92.2	-10.8	177.6	63.8	-21.2	0	0	0	113.4	R92 V119	R92-N117 WeakPolarHBondContact O-CB 3.45Å; N117-V119 PolarHBondContact O-N 3.09Å
118	A	93.5	Very high	94.1	Very high	31 Å²	31	42.4 Å²	42.4	26%	0.256	23%	0.228	S	C	.	.			trans	-77.1	99.1	172.5	0	0	0	0	0	110.1	D120 N121 G146	A118-D120 PolarHBondContact O-N 2.64Å; A118-N121 HydrophobicContact CB-CB 3.75Å; A118-N121 VanDerWaalsContact O-CB 3.26Å; A118-N121 WeakPolarHBondContact O-CB 3.48Å; A118-N121 PolarHBondContact O-N 3.03Å; A118-G146 WeakPolarHBondContact O-CA 3.26Å
119	V	90.3	Very high	93.9	Very high	68 Å²	68	45.2 Å²	45.2	41%	0.412	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.4	-177.7	176.3	0	0	0	0	112.8	N117 R147 Y150	N117-V119 PolarHBondContact O-N 3.09Å; V119-R147 VanDerWaalsContact O-CA 3.27Å; V119-R147 WeakPolarHBondContact O-CA 3.37Å; V119-R147 VanDerWaalsContact O-CB 3.28Å; V119-R147 WeakPolarHBondContact O-CB 3.23Å; V119-Y150 HydrophobicContact CB-CG 4.36Å; V119-Y150 HydrophobicContact CG1-CD1 3.55Å; V119-Y150 HydrophobicContact CG1-CD2 3.83Å; V119-Y150 HydrophobicContact CG1-CE1 3.97Å; V119-Y150 HydrophobicContact CG1-CE2 4.23Å; V119-Y150 HydrophobicContact CG1-CG 3.47Å; V119-Y150 VanDerWaalsContact CG1-CG 3.47Å; V119-Y150 HydrophobicContact CG2-CD2 3.84Å; V119-Y150 HydrophobicContact CG2-CE2 4.49Å; V119-Y150 HydrophobicContact CG2-CG 4.09Å
120	D	88.6	Confident	93.7	Very high	113 Å²	113	49 Å²	49	60%	0.604	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.4	177.4	59.9	-30.9	0	0	0	113.2	A118 D122 R147	A118-D120 PolarHBondContact O-N 2.64Å; D120-D122 PolarHBondContact O-N 2.92Å; D120-R147 PolarHBondContact O-NH2 2.79Å
121	N	89	Confident	93.4	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.091	24%	0.24	C	C	.	.			trans	-70.3	108.2	178.7	180	16.8	0	0	0	111.5	D116 A118 S123 F124 G146 R147	D116-N121 PolarHBondContact OD2-ND2 3.04Å; A118-N121 HydrophobicContact CB-CB 3.75Å; A118-N121 VanDerWaalsContact O-CB 3.26Å; A118-N121 WeakPolarHBondContact O-CB 3.48Å; A118-N121 PolarHBondContact O-N 3.03Å; N121-S123 PolarHBondContact OD1-N 3.13Å; N121-F124 PolarHBondContact ND2-O 3.01Å; N121-F124 WeakPolarHBondContact OD1-CA 3.28Å; N121-F124 VanDerWaalsContact OD1-CB 3.32Å; N121-F124 WeakPolarHBondContact OD1-CB 3.4Å; N121-F124 PolarHBondContact OD1-N 3.42Å; N121-G146 PolarHBondContact O-N 2.82Å; N121-R147 WeakPolarHBondContact O-CB 3.49Å; N121-R147 PolarHBondContact O-N 3.01Å
122	D	87.1	Confident	93.2	Very high	27 Å²	27	50.1 Å²	50.1	14%	0.144	28%	0.275	C	S	.	.	S	Bend	trans	-120.2	9.3	179.6	57.7	11	0	0	0	113.4	D120 L145 R147	D120-D122 PolarHBondContact O-N 2.92Å; D122-L145 WeakPolarHBondContact O-CD1 3.4Å; D122-R147 HydrophobicContact CB-CB 4.2Å; D122-R147 IonicContact OD2-CZ 3.66Å; D122-R147 IonicContact OD2-NE 3.93Å; D122-R147 IonicContact OD2-NH1 3.85Å; D122-R147 PolarHBondContact OD2-NH1 3.05Å; D122-R147 IonicContact OD2-NH2 3.32Å; D122-R147 PolarHBondContact OD2-NH2 3.01Å
123	S	86.8	Confident	92.7	Very high	84 Å²	84	53.2 Å²	53.2	59%	0.587	29%	0.293	S	S	*	.	S	Bend	trans	-151	-18.2	-174.6	49.4	0	0	0	0	115.5	N121	N121-S123 PolarHBondContact OD1-N 3.13Å
124	F	89.7	Confident	92.3	Very high	137 Å²	137	62 Å²	62	60%	0.601	33%	0.334	S	S	*	.			trans	-96.3	109	-174.3	-173.6	-100.2	0	0	0	112.1	N121 V126 L145	N121-F124 PolarHBondContact ND2-O 3.01Å; N121-F124 WeakPolarHBondContact OD1-CA 3.28Å; N121-F124 VanDerWaalsContact OD1-CB 3.32Å; N121-F124 WeakPolarHBondContact OD1-CB 3.4Å; N121-F124 PolarHBondContact OD1-N 3.42Å; F124-V126 HydrophobicContact CD1-CG2 4.14Å; F124-V126 HydrophobicContact CE1-CG2 3.84Å; F124-L145 WeakPolarHBondContact O-CD2 3.35Å
125	Y	91.2	Very high	92	Very high	48 Å²	48	66.8 Å²	66.8	19%	0.188	35%	0.352	C	S	.	.			trans	-88.3	136.5	174.5	-70.7	-94.4	0	0	0	111.4	Y29 T47 F143 L145	Y29-Y125 HydrophobicContact CE1-CE1 4.44Å; Y29-Y125 HydrophobicContact CE1-CE2 4.27Å; T47-Y125 HydrophobicContact CG2-CD1 3.44Å; T47-Y125 VanDerWaalsContact CG2-CD1 3.44Å; T47-Y125 HydrophobicContact CG2-CE1 3.85Å; T47-Y125 HydrophobicContact CG2-CG 4.07Å; Y125-F143 HydrophobicContact CD1-CD1 4.01Å; Y125-L145 HydrophobicContact CD1-CD2 4.27Å; Y125-L145 HydrophobicContact CD2-CD2 3.98Å; Y125-L145 HydrophobicContact CE1-CD1 4.5Å; Y125-L145 HydrophobicContact CE1-CD2 4.14Å; Y125-L145 HydrophobicContact CE1-CG 3.97Å; Y125-L145 HydrophobicContact CE2-CD1 3.9Å; Y125-L145 HydrophobicContact CE2-CD2 3.84Å; Y125-L145 HydrophobicContact CE2-CG 4.02Å; Y125-L145 HydrophobicContact CG-CD2 4.19Å; Y125-L145 WeakPolarHBondContact OH-CD1 3.3Å
126	V	92.8	Very high	91.8	Very high	24 Å²	24	70.9 Å²	70.9	15%	0.145	38%	0.377	C	S	.	.			trans	-100.6	129.6	173.5	178.3	0	0	0	0	109.3	F97 F124 M128 F143	F97-V126 HydrophobicContact CE2-CG1 4.14Å; F97-V126 HydrophobicContact CZ-CG1 4.11Å; F124-V126 HydrophobicContact CD1-CG2 4.14Å; F124-V126 HydrophobicContact CE1-CG2 3.84Å; V126-M128 PolarHBondContact O-N 3.39Å; V126-M128 VanDerWaalsContact O-N 3.15Å; V126-F143 HydrophobicContact CB-CD2 4.38Å; V126-F143 HydrophobicContact CB-CE1 4.2Å; V126-F143 HydrophobicContact CB-CE2 3.83Å; V126-F143 HydrophobicContact CB-CZ 3.71Å; V126-F143 HydrophobicContact CG2-CE1 4.4Å; V126-F143 HydrophobicContact CG2-CE2 4.23Å; V126-F143 HydrophobicContact CG2-CZ 3.77Å
127	E	93.1	Very high	91.8	Very high	82 Å²	82	70.8 Å²	70.8	38%	0.383	38%	0.378	S	S	.	.			trans	-68.3	110.7	169	-66.5	-164.9	168.8	0	0	109.8	R25 K50 I129	R25-E127 IonicContact CZ-OE1 3.18Å; R25-E127 IonicContact NH1-OE1 2.79Å; R25-E127 PolarHBondContact NH1-OE1 3.41Å; R25-E127 IonicContact NH1-OE2 4Å; R25-E127 PolarHBondContact NH1-OE2 3.22Å; K50-E127 VanDerWaalsContact CD-OE2 3.23Å; K50-E127 WeakPolarHBondContact CD-OE2 3.42Å; K50-E127 IonicContact NZ-OE2 3.28Å; K50-E127 PolarHBondContact NZ-OE2 2.94Å; E127-I129 PolarHBondContact O-N 3.18Å
128	M	95.4	Very high	91.9	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.01	38%	0.381	C	S	.	.			trans	-75.9	116.9	173.3	-60.1	-169.3	-61.2	0	0	109.7	A49 K50 F52 F97 I114 V126 A141 F143	A49-M128 HydrophobicContact CB-CB 4.27Å; A49-M128 HydrophobicContact CB-CE 3.97Å; K50-M128 WeakPolarHBondContact CB-O 3.47Å; K50-M128 PolarHBondContact N-O 3.09Å; F52-M128 HydrophobicContact CE1-CB 3.89Å; F52-M128 HydrophobicContact CZ-CB 3.95Å; F97-M128 HydrophobicContact CB-CB 4.2Å; F97-M128 HydrophobicContact CB-CG 4.35Å; F97-M128 HydrophobicContact CB-SD 4.2Å; F97-M128 HydrophobicContact CD1-CG 3.81Å; F97-M128 HydrophobicContact CD1-SD 3.59Å; F97-M128 VanDerWaalsContact CD1-SD 3.59Å; F97-M128 HydrophobicContact CD2-CB 3.83Å; F97-M128 HydrophobicContact CD2-CG 3.8Å; F97-M128 HydrophobicContact CE1-CG 3.94Å; F97-M128 HydrophobicContact CE1-SD 4.02Å; F97-M128 HydrophobicContact CE2-CB 4.29Å; F97-M128 HydrophobicContact CE2-CG 3.92Å; F97-M128 HydrophobicContact CG-CB 3.96Å; F97-M128 HydrophobicContact CG-CG 3.74Å; F97-M128 HydrophobicContact CG-SD 3.9Å; F97-M128 HydrophobicContact CZ-CG 3.99Å; I114-M128 HydrophobicContact CB-SD 4.19Å; I114-M128 HydrophobicContact CD1-SD 3.95Å; I114-M128 HydrophobicContact CG1-SD 4.43Å; V126-M128 PolarHBondContact O-N 3.39Å; V126-M128 VanDerWaalsContact O-N 3.15Å; M128-A141 HydrophobicContact CE-CB 4.19Å; M128-F143 HydrophobicContact CE-CB 3.87Å; M128-F143 HydrophobicContact CG-CB 3.98Å; M128-F143 HydrophobicContact CG-CD2 3.94Å; M128-F143 HydrophobicContact CG-CG 4.35Å; M128-F143 HydrophobicContact SD-CB 3.84Å; M128-F143 HydrophobicContact SD-CD2 4.02Å; M128-F143 HydrophobicContact SD-CG 4.45Å
129	I	94.8	Very high	92.1	Very high	90 Å²	90	70.9 Å²	70.9	46%	0.462	37%	0.374	S	S	.	.			trans	-117.5	160.8	178	59.1	167.5	0	0	0	112	K50 D51 E127	K50-I129 HydrophobicContact CB-CG2 4.19Å; K50-I129 HydrophobicContact CD-CG2 3.86Å; K50-I129 HydrophobicContact CG-CG2 4.31Å; D51-I129 WeakPolarHBondContact OD1-CA 3.43Å; E127-I129 PolarHBondContact O-N 3.18Å
130	Q	92.9	Very high	92.5	Very high	83 Å²	83	68.3 Å²	68.3	39%	0.388	36%	0.358	S	S	.	.			trans	-60.6	162.5	172.5	75.5	-177.7	-68	0	0	112.3	D51 L98	D51-Q130 PolarHBondContact OD1-N 3.38Å; D51-Q130 VanDerWaalsContact OD2-CG 3.3Å; D51-Q130 WeakPolarHBondContact OD2-CG 3.42Å; D51-Q130 PolarHBondContact OD2-NE2 3.33Å; L98-Q130 HydrophobicContact CD2-CB 4.47Å
131	D	93.4	Very high	93	Very high	42 Å²	42	63 Å²	63	23%	0.225	33%	0.331	C	S	.	.			trans	-104	18.5	-178.1	65.5	8.1	0	0	0	114.2	S96 L98 T133 R135	S96-D131 PolarHBondContact OG-OD2 2.81Å; L98-D131 WeakPolarHBondContact CD2-OD1 3.41Å; D131-T133 PolarHBondContact O-N 2.83Å; D131-T133 VanDerWaalsContact O-N 3.14Å; D131-T133 VanDerWaalsContact OD1-CB 3.28Å; D131-T133 WeakPolarHBondContact OD1-CB 3.34Å; D131-T133 VanDerWaalsContact OD1-CG2 3.23Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.32Å; D131-T133 PolarHBondContact OD1-N 3.46Å; D131-T133 PolarHBondContact OD1-OG1 3.06Å; D131-R135 IonicContact OD1-NH2 3.82Å; D131-R135 IonicContact OD2-CZ 3.21Å; D131-R135 IonicContact OD2-NH2 2.99Å; D131-R135 PolarHBondContact OD2-NH2 2.82Å
132	S	93.3	Very high	93.4	Very high	105 Å²	105	62.3 Å²	62.3	73%	0.734	33%	0.327	S	S	*	.	S	Bend	trans	62.5	11.8	179.7	-50.6	0	0	0	0	115.9	Q134	S132-Q134 VanDerWaalsContact C-N 3.26Å; S132-Q134 PolarHBondContact O-N 2.9Å
133	T	89.8	Confident	93.9	Very high	64 Å²	64	61 Å²	61	39%	0.393	32%	0.32	S	S	.	.	S	Bend	trans	-83.3	5.1	-179.7	61.1	0	0	0	0	114.4	D131 R135	D131-T133 PolarHBondContact O-N 2.83Å; D131-T133 VanDerWaalsContact O-N 3.14Å; D131-T133 VanDerWaalsContact OD1-CB 3.28Å; D131-T133 WeakPolarHBondContact OD1-CB 3.34Å; D131-T133 VanDerWaalsContact OD1-CG2 3.23Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.32Å; D131-T133 PolarHBondContact OD1-N 3.46Å; D131-T133 PolarHBondContact OD1-OG1 3.06Å; T133-R135 PolarHBondContact O-N 2.86Å; T133-R135 WeakPolarHBondContact OG1-CG 3.46Å; T133-R135 PolarHBondContact OG1-NE 3Å; T133-R135 PolarHBondContact OG1-NH2 3.45Å
134	Q	89.5	Confident	94.4	Very high	184 Å²	184	57 Å²	57	86%	0.86	29%	0.292	S	S	*	.			trans	57.7	7.9	-173.3	-55.3	179.9	11.3	0	0	114.8	S132	S132-Q134 VanDerWaalsContact C-N 3.26Å; S132-Q134 PolarHBondContact O-N 2.9Å
135	R	93.2	Very high	94.8	Very high	101 Å²	101	50.6 Å²	50.6	38%	0.381	26%	0.264	S	S	.	.			trans	-75.7	153.9	173.3	-63.2	178.9	-65.9	177.9	3.1	109.6	L98 S99 D131 T133	L98-R135 HydrophobicContact CD2-CB 4.24Å; L98-R135 WeakPolarHBondContact CD2-O 3.36Å; S99-R135 PolarHBondContact OG-NH2 2.9Å; S99-R135 VanDerWaalsContact OG-NH2 3.12Å; D131-R135 IonicContact OD1-NH2 3.82Å; D131-R135 IonicContact OD2-CZ 3.21Å; D131-R135 IonicContact OD2-NH2 2.99Å; D131-R135 PolarHBondContact OD2-NH2 2.82Å; T133-R135 PolarHBondContact O-N 2.86Å; T133-R135 WeakPolarHBondContact OG1-CG 3.46Å; T133-R135 PolarHBondContact OG1-NE 3Å; T133-R135 PolarHBondContact OG1-NH2 3.45Å
136	T	93.8	Very high	95	Very high	86 Å²	86	48.4 Å²	48.4	53%	0.528	26%	0.256	S	S	.	.			trans	-117	160.5	175	60.5	0	0	0	0	111	R102	R102-T136 WeakPolarHBondContact CD-O 3.39Å; R102-T136 WeakPolarHBondContact CG-O 3.27Å; R102-T136 PolarHBondContact NH1-O 2.98Å
137	A	96	Very high	95.1	Very high	6 Å²	6	50.1 Å²	50.1	5%	0.05	26%	0.26	C	S	.	.			trans	-138.3	137.1	163.4	0	0	0	0	0	107.4	G53 L98 T101 R102	G53-A137 WeakPolarHBondContact CA-O 3.38Å; G53-A137 PolarHBondContact N-O 3.38Å; G53-A137 VanDerWaalsContact N-O 3.09Å; L98-A137 HydrophobicContact CD1-CB 3.68Å; T101-A137 HydrophobicContact CG2-CB 3.56Å; R102-A137 HydrophobicContact CG-CB 4.07Å
138	D	96.4	Very high	95.3	Very high	106 Å²	106	46.2 Å²	46.2	57%	0.567	24%	0.242	S	C	*	.			trans	-109.4	-14.2	-168	-48.1	-63.9	0	0	0	112	G54 Q105	G54-D138 WeakPolarHBondContact CA-O 3.31Å; G54-D138 PolarHBondContact N-O 3.47Å; Q105-D138 PolarHBondContact NE2-OD2 2.92Å
139	I	98.1	Very high	95.4	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.103	24%	0.241	C	C	.	.	S	Bend	trans	-80.7	147.1	173.6	67.3	169.7	0	0	0	110.6	G53 G54 T101 V104 Q105 G109 A141	G53-I139 CarbonylContact C-O 3.58Å; G53-I139 VanDerWaalsContact CA-O 3.22Å; G53-I139 WeakPolarHBondContact CA-O 3.4Å; G54-I139 VanDerWaalsContact N-C 3.25Å; G54-I139 PolarHBondContact N-O 2.86Å; T101-I139 HydrophobicContact CG2-CD1 4.14Å; T101-I139 HydrophobicContact CG2-CG1 3.67Å; V104-I139 HydrophobicContact CB-CD1 4.17Å; V104-I139 HydrophobicContact CG1-CD1 3.78Å; Q105-I139 HydrophobicContact CB-CD1 3.9Å; Q105-I139 HydrophobicContact CB-CG1 4.09Å; Q105-I139 HydrophobicContact CB-CG2 4.16Å; Q105-I139 HydrophobicContact CG-CG2 4Å; Q105-I139 VanDerWaalsContact OE1-N 3.15Å; G109-I139 WeakPolarHBondContact O-CG2 3.45Å; I139-A141 PolarHBondContact O-N 2.95Å
140	P	98.1	Very high	95.5	Very high	13 Å²	13	46 Å²	46	8%	0.084	24%	0.235	C	C	.	.			trans	-58.3	137	174.6	-23.2	33.9	0	0	0	112.1	G54 F56 R110 A111 V112	G54-P140 WeakPolarHBondContact O-CA 3.33Å; F56-P140 HydrophobicContact CD1-CG 4.32Å; F56-P140 HydrophobicContact CD2-CB 3.83Å; F56-P140 HydrophobicContact CD2-CG 4.03Å; F56-P140 HydrophobicContact CE1-CB 4.36Å; F56-P140 HydrophobicContact CE1-CG 4.24Å; F56-P140 HydrophobicContact CE2-CB 3.37Å; F56-P140 HydrophobicContact CE2-CG 3.94Å; F56-P140 HydrophobicContact CG-CB 4.49Å; F56-P140 HydrophobicContact CG-CG 4.22Å; F56-P140 HydrophobicContact CZ-CB 3.69Å; F56-P140 HydrophobicContact CZ-CG 4.05Å; R110-P140 VanDerWaalsContact O-CD 3.31Å; R110-P140 WeakPolarHBondContact O-CD 3.23Å; A111-P140 CarbonylContact C-O 3.57Å; A111-P140 VanDerWaalsContact CA-O 3.32Å; A111-P140 WeakPolarHBondContact CA-O 3.4Å; A111-P140 HydrophobicContact CB-CB 4.07Å; A111-P140 HydrophobicContact CB-CG 4.35Å; A111-P140 WeakPolarHBondContact CB-O 3.22Å; V112-P140 PolarHBondContact N-O 3.28Å
141	A	98.1	Very high	95.8	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.7	176.4	0	0	0	0	0	109.7	P48 A49 F52 T101 V112 M128 I139	P48-A141 CarbonylContact C-O 3.54Å; P48-A141 WeakPolarHBondContact CA-O 3.14Å; A49-A141 HydrophobicContact CB-CB 4.05Å; A49-A141 PolarHBondContact N-O 2.77Å; F52-A141 HydrophobicContact CD2-CB 4.36Å; F52-A141 HydrophobicContact CE2-CB 3.6Å; F52-A141 HydrophobicContact CZ-CB 4.27Å; T101-A141 HydrophobicContact CG2-CB 4.01Å; V112-A141 HydrophobicContact CG1-CB 3.68Å; V112-A141 WeakPolarHBondContact O-CA 3.27Å; M128-A141 HydrophobicContact CE-CB 4.19Å; I139-A141 PolarHBondContact O-N 2.95Å
142	L	98.2	Very high	96	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.8	-177.3	-55.7	178.3	0	0	0	110.4	L30 A46 T47 P48 F56 V112 I113 I114 I168	L30-L142 HydrophobicContact CB-CD2 4.35Å; L30-L142 HydrophobicContact CD1-CD2 4.14Å; L30-L142 HydrophobicContact CD2-CD1 3.78Å; A46-L142 HydrophobicContact CB-CB 3.97Å; A46-L142 HydrophobicContact CB-CD1 4.36Å; T47-L142 CarbonylContact O-C 3.52Å; T47-L142 WeakPolarHBondContact O-CA 3.11Å; P48-L142 HydrophobicContact CB-CD2 4.14Å; P48-L142 HydrophobicContact CG-CD2 4Å; F56-L142 HydrophobicContact CE2-CD1 3.85Å; F56-L142 HydrophobicContact CE2-CD2 4.23Å; F56-L142 HydrophobicContact CE2-CG 4.21Å; F56-L142 HydrophobicContact CZ-CD1 4.16Å; V112-L142 PolarHBondContact O-N 2.75Å; I113-L142 CarbonylContact C-O 3.58Å; I113-L142 WeakPolarHBondContact CA-O 3.38Å; I113-L142 HydrophobicContact CG1-CB 4.3Å; I113-L142 HydrophobicContact CG1-CD1 4.18Å; I114-L142 PolarHBondContact N-O 2.79Å; L142-I168 HydrophobicContact CD1-CD1 3.62Å
143	F	97.9	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.7	173.1	-174.7	-94.1	0	0	0	109.7	A46 T47 F97 I114 D116 Y125 V126 M128	A46-F143 CarbonylContact C-O 3.55Å; A46-F143 WeakPolarHBondContact CA-O 3.37Å; A46-F143 VanDerWaalsContact CB-O 3.27Å; A46-F143 WeakPolarHBondContact CB-O 3.35Å; T47-F143 PolarHBondContact N-O 3.15Å; T47-F143 PolarHBondContact O-N 2.8Å; F97-F143 HydrophobicContact CE1-CD2 4.22Å; F97-F143 HydrophobicContact CE1-CE2 4.27Å; F97-F143 HydrophobicContact CZ-CD2 4.42Å; F97-F143 HydrophobicContact CZ-CE2 4.28Å; I114-F143 CarbonylContact O-C 3.57Å; I114-F143 WeakPolarHBondContact O-CA 3.2Å; D116-F143 HydrophobicContact CB-CE1 4.46Å; D116-F143 HydrophobicContact CB-CE2 4.33Å; D116-F143 HydrophobicContact CB-CZ 3.7Å; Y125-F143 HydrophobicContact CD1-CD1 4.01Å; V126-F143 HydrophobicContact CB-CD2 4.38Å; V126-F143 HydrophobicContact CB-CE1 4.2Å; V126-F143 HydrophobicContact CB-CE2 3.83Å; V126-F143 HydrophobicContact CB-CZ 3.71Å; V126-F143 HydrophobicContact CG2-CE1 4.4Å; V126-F143 HydrophobicContact CG2-CE2 4.23Å; V126-F143 HydrophobicContact CG2-CZ 3.77Å; M128-F143 HydrophobicContact CE-CB 3.87Å; M128-F143 HydrophobicContact CG-CB 3.98Å; M128-F143 HydrophobicContact CG-CD2 3.94Å; M128-F143 HydrophobicContact CG-CG 4.35Å; M128-F143 HydrophobicContact SD-CB 3.84Å; M128-F143 HydrophobicContact SD-CD2 4.02Å; M128-F143 HydrophobicContact SD-CG 4.45Å
144	L	97.6	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.3	178.5	-177.7	65.2	0	0	0	109.7	F32 F44 T45 L89 I113 I114 S115 D116 D148 I152	F32-L144 HydrophobicContact CE1-CD1 4.06Å; F32-L144 HydrophobicContact CZ-CD1 4.23Å; F32-L144 HydrophobicContact CZ-CD2 4.24Å; F44-L144 HydrophobicContact CB-CD1 4.41Å; T45-L144 WeakPolarHBondContact O-CD1 3.47Å; L89-L144 HydrophobicContact CD1-CD2 4.33Å; I113-L144 HydrophobicContact CG2-CB 3.71Å; I113-L144 HydrophobicContact CG2-CD2 3.97Å; I113-L144 HydrophobicContact CG2-CG 4.42Å; I114-L144 PolarHBondContact O-N 2.74Å; S115-L144 CarbonylContact C-O 3.59Å; S115-L144 VanDerWaalsContact CA-O 3.3Å; S115-L144 WeakPolarHBondContact CA-O 3.37Å; D116-L144 PolarHBondContact N-O 3.04Å; L144-D148 HydrophobicContact CD1-CB 3.74Å; L144-D148 HydrophobicContact CD2-CB 4.17Å; L144-D148 HydrophobicContact CG-CB 3.87Å; L144-I152 HydrophobicContact CD2-CD1 3.97Å
145	L	96.6	Very high	97	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.149	C	C	.	.			trans	-61.8	148.5	174.8	-66.5	172.5	0	0	0	111.3	D122 F124 Y125 R147 D148 G149 T186	D122-L145 WeakPolarHBondContact O-CD1 3.4Å; F124-L145 WeakPolarHBondContact O-CD2 3.35Å; Y125-L145 HydrophobicContact CD1-CD2 4.27Å; Y125-L145 HydrophobicContact CD2-CD2 3.98Å; Y125-L145 HydrophobicContact CE1-CD1 4.5Å; Y125-L145 HydrophobicContact CE1-CD2 4.14Å; Y125-L145 HydrophobicContact CE1-CG 3.97Å; Y125-L145 HydrophobicContact CE2-CD1 3.9Å; Y125-L145 HydrophobicContact CE2-CD2 3.84Å; Y125-L145 HydrophobicContact CE2-CG 4.02Å; Y125-L145 HydrophobicContact CG-CD2 4.19Å; Y125-L145 WeakPolarHBondContact OH-CD1 3.3Å; L145-R147 PolarHBondContact O-N 2.71Å; L145-D148 HydrophobicContact CB-CB 4.45Å; L145-D148 PolarHBondContact O-N 3.04Å; L145-G149 PolarHBondContact O-N 3.16Å; L145-T186 HydrophobicContact CD1-CG2 4.33Å
146	G	96.1	Very high	97.2	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-37.5	-173.9	0	0	0	0	0	112.9	D116 A118 N121 D148 G149 Y150	D116-G146 VanDerWaalsContact O-CA 3.26Å; D116-G146 WeakPolarHBondContact O-CA 3.07Å; A118-G146 WeakPolarHBondContact O-CA 3.26Å; N121-G146 PolarHBondContact O-N 2.82Å; G146-D148 VanDerWaalsContact C-N 3.35Å; G146-D148 PolarHBondContact O-N 3.07Å; G146-G149 PolarHBondContact O-N 3.26Å; G146-Y150 VanDerWaalsContact O-CB 3.26Å; G146-Y150 WeakPolarHBondContact O-CB 3.33Å; G146-Y150 PolarHBondContact O-N 2.79Å
147	R	95.9	Very high	97.4	Very high	60 Å²	60	29.8 Å²	29.8	23%	0.226	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-42.6	173.8	-170.3	169.6	-68.7	172.1	6.8	112.2	V119 D120 N121 D122 L145 Y150 M151 W185	V119-R147 VanDerWaalsContact O-CA 3.27Å; V119-R147 WeakPolarHBondContact O-CA 3.37Å; V119-R147 VanDerWaalsContact O-CB 3.28Å; V119-R147 WeakPolarHBondContact O-CB 3.23Å; D120-R147 PolarHBondContact O-NH2 2.79Å; N121-R147 WeakPolarHBondContact O-CB 3.49Å; N121-R147 PolarHBondContact O-N 3.01Å; D122-R147 HydrophobicContact CB-CB 4.2Å; D122-R147 IonicContact OD2-CZ 3.66Å; D122-R147 IonicContact OD2-NE 3.93Å; D122-R147 IonicContact OD2-NH1 3.85Å; D122-R147 PolarHBondContact OD2-NH1 3.05Å; D122-R147 IonicContact OD2-NH2 3.32Å; D122-R147 PolarHBondContact OD2-NH2 3.01Å; L145-R147 PolarHBondContact O-N 2.71Å; R147-Y150 PolarHBondContact O-N 3.16Å; R147-M151 HydrophobicContact CG-CG 4.41Å; R147-M151 WeakPolarHBondContact O-CB 3.03Å; R147-M151 WeakPolarHBondContact O-CG 3.38Å; R147-M151 PolarHBondContact O-N 2.99Å; R147-W185 HydrophobicContact CG-CG 4.2Å; R147-W185 PolarHBondContact NH1-O 3.16Å; R147-W185 VanDerWaalsContact NH1-O 3.16Å
148	D	96.8	Very high	97.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-47.5	178.4	-75	-20.4	0	0	0	111.7	F44 L144 L145 G146 Y150 M151 I152 W185 T186	F44-D148 HydrophobicContact CD1-CB 3.78Å; F44-D148 HydrophobicContact CE1-CB 3.95Å; L144-D148 HydrophobicContact CD1-CB 3.74Å; L144-D148 HydrophobicContact CD2-CB 4.17Å; L144-D148 HydrophobicContact CG-CB 3.87Å; L145-D148 HydrophobicContact CB-CB 4.45Å; L145-D148 PolarHBondContact O-N 3.04Å; G146-D148 VanDerWaalsContact C-N 3.35Å; G146-D148 PolarHBondContact O-N 3.07Å; D148-Y150 VanDerWaalsContact C-N 3.34Å; D148-Y150 PolarHBondContact O-N 3.42Å; D148-M151 PolarHBondContact O-N 3.28Å; D148-I152 WeakPolarHBondContact O-CG1 3.4Å; D148-I152 PolarHBondContact O-N 2.72Å; D148-W185 PolarHBondContact OD1-NE1 2.97Å; D148-T186 PolarHBondContact OD1-OG1 3.04Å
149	G	97.4	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-46.8	175.1	0	0	0	0	0	112.2	L145 G146 M151 I152 R153	L145-G149 PolarHBondContact O-N 3.16Å; G146-G149 PolarHBondContact O-N 3.26Å; G149-M151 PolarHBondContact O-N 3.34Å; G149-I152 PolarHBondContact O-N 3.09Å; G149-R153 WeakPolarHBondContact O-CG 3.23Å; G149-R153 PolarHBondContact O-N 3.04Å
150	Y	97.4	Very high	97.4	Very high	87 Å²	87	37.3 Å²	37.3	34%	0.341	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-47.1	176.5	172	-100.9	0	0	0	112.2	V119 G146 R147 D148 I152 R153 R154	V119-Y150 HydrophobicContact CB-CG 4.36Å; V119-Y150 HydrophobicContact CG1-CD1 3.55Å; V119-Y150 HydrophobicContact CG1-CD2 3.83Å; V119-Y150 HydrophobicContact CG1-CE1 3.97Å; V119-Y150 HydrophobicContact CG1-CE2 4.23Å; V119-Y150 HydrophobicContact CG1-CG 3.47Å; V119-Y150 VanDerWaalsContact CG1-CG 3.47Å; V119-Y150 HydrophobicContact CG2-CD2 3.84Å; V119-Y150 HydrophobicContact CG2-CE2 4.49Å; V119-Y150 HydrophobicContact CG2-CG 4.09Å; G146-Y150 VanDerWaalsContact O-CB 3.26Å; G146-Y150 WeakPolarHBondContact O-CB 3.33Å; G146-Y150 PolarHBondContact O-N 2.79Å; R147-Y150 PolarHBondContact O-N 3.16Å; D148-Y150 VanDerWaalsContact C-N 3.34Å; D148-Y150 PolarHBondContact O-N 3.42Å; Y150-I152 VanDerWaalsContact C-N 3.35Å; Y150-I152 PolarHBondContact O-N 2.78Å; Y150-R153 PolarHBondContact O-N 3.47Å; Y150-R154 WeakPolarHBondContact O-CB 3.36Å; Y150-R154 PolarHBondContact O-N 3.18Å; Y150-R154 PolarHBondContact OH-NH1 2.8Å
151	M	97.5	Very high	97.4	Very high	48 Å²	48	39.9 Å²	39.9	24%	0.236	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-37.5	-178.6	-70.3	-62.2	-73.8	0	0	112.2	R147 D148 G149 S155 W185	R147-M151 HydrophobicContact CG-CG 4.41Å; R147-M151 WeakPolarHBondContact O-CB 3.03Å; R147-M151 WeakPolarHBondContact O-CG 3.38Å; R147-M151 PolarHBondContact O-N 2.99Å; D148-M151 PolarHBondContact O-N 3.28Å; G149-M151 PolarHBondContact O-N 3.34Å; M151-S155 WeakPolarHBondContact O-CB 3.36Å; M151-S155 PolarHBondContact O-N 3.28Å; M151-W185 HydrophobicContact CB-CD2 4.48Å; M151-W185 HydrophobicContact CB-CH2 3.85Å; M151-W185 HydrophobicContact CB-CZ2 3.38Å; M151-W185 HydrophobicContact CE-CD2 4.06Å; M151-W185 HydrophobicContact CE-CE3 3.56Å; M151-W185 HydrophobicContact CE-CH2 3.91Å; M151-W185 HydrophobicContact CE-CZ2 4.36Å; M151-W185 HydrophobicContact CE-CZ3 3.48Å; M151-W185 VanDerWaalsContact CE-CZ3 3.48Å; M151-W185 HydrophobicContact CG-CD2 3.88Å; M151-W185 HydrophobicContact CG-CE3 4.33Å; M151-W185 HydrophobicContact CG-CG 4.4Å; M151-W185 HydrophobicContact CG-CH2 4.2Å; M151-W185 HydrophobicContact CG-CZ2 3.72Å; M151-W185 HydrophobicContact CG-CZ3 4.48Å
152	I	98.1	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-52.8	173.8	-67.1	168.2	0	0	0	110.4	F32 I40 F44 L65 L89 L144 D148 G149 Y150 R154 S155 L156	F32-I152 HydrophobicContact CE2-CD1 4.23Å; F32-I152 HydrophobicContact CZ-CD1 4.09Å; I40-I152 HydrophobicContact CD1-CB 4.36Å; I40-I152 HydrophobicContact CD1-CG1 4.23Å; I40-I152 HydrophobicContact CD1-CG2 4.23Å; F44-I152 HydrophobicContact CD1-CD1 4.23Å; F44-I152 HydrophobicContact CD2-CD1 4.5Å; F44-I152 HydrophobicContact CE1-CD1 4Å; F44-I152 HydrophobicContact CE1-CG1 4.11Å; F44-I152 HydrophobicContact CE2-CD1 4.3Å; F44-I152 HydrophobicContact CE2-CG1 4.41Å; F44-I152 HydrophobicContact CG-CD1 4.46Å; F44-I152 HydrophobicContact CZ-CD1 4.04Å; F44-I152 HydrophobicContact CZ-CG1 3.88Å; L65-I152 HydrophobicContact CD2-CD1 4.43Å; L65-I152 HydrophobicContact CD2-CG2 4.26Å; L89-I152 HydrophobicContact CD2-CB 4.33Å; L89-I152 HydrophobicContact CD2-CG2 3.78Å; L144-I152 HydrophobicContact CD2-CD1 3.97Å; D148-I152 WeakPolarHBondContact O-CG1 3.4Å; D148-I152 PolarHBondContact O-N 2.72Å; G149-I152 PolarHBondContact O-N 3.09Å; Y150-I152 VanDerWaalsContact C-N 3.35Å; Y150-I152 PolarHBondContact O-N 2.78Å; I152-R154 PolarHBondContact O-N 2.74Å; I152-S155 PolarHBondContact O-N 3.39Å; I152-L156 HydrophobicContact CG2-CD1 4.21Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.47Å; I152-L156 VanDerWaalsContact O-N 3.09Å
153	R	97.9	Very high	97.4	Very high	32 Å²	32	46 Å²	46	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-47	-179.6	-68	-169.8	76	-168.9	4.8	111.8	P71 L89 E91 G149 Y150 S155 L156 E157	P71-R153 VanDerWaalsContact CG-NH2 3.32Å; L89-R153 HydrophobicContact CD2-CG 3.68Å; E91-R153 WeakPolarHBondContact OE1-CD 3.1Å; E91-R153 IonicContact OE1-CZ 2.67Å; E91-R153 IonicContact OE1-NE 3.66Å; E91-R153 IonicContact OE1-NH1 3.92Å; E91-R153 PolarHBondContact OE1-NH1 3Å; E91-R153 IonicContact OE2-NH1 3.62Å; E91-R153 PolarHBondContact OE2-NH1 3.36Å; G149-R153 WeakPolarHBondContact O-CG 3.23Å; G149-R153 PolarHBondContact O-N 3.04Å; Y150-R153 PolarHBondContact O-N 3.47Å; R153-S155 VanDerWaalsContact C-N 3.34Å; R153-S155 PolarHBondContact O-N 2.95Å; R153-L156 PolarHBondContact O-N 2.89Å; R153-E157 WeakPolarHBondContact O-CG 3.47Å; R153-E157 PolarHBondContact O-N 2.98Å
154	R	97.3	Very high	97.4	Very high	106 Å²	106	46 Å²	46	40%	0.4	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-45.1	178.6	179.7	179.1	178.7	171.6	-0.6	112.1	Y150 I152 E157 Q158	Y150-R154 WeakPolarHBondContact O-CB 3.36Å; Y150-R154 PolarHBondContact O-N 3.18Å; Y150-R154 PolarHBondContact OH-NH1 2.8Å; I152-R154 PolarHBondContact O-N 2.74Å; R154-E157 PolarHBondContact O-N 3.45Å; R154-Q158 HydrophobicContact CG-CG 4.36Å; R154-Q158 WeakPolarHBondContact O-CB 3.42Å; R154-Q158 WeakPolarHBondContact O-CG 3.36Å; R154-Q158 PolarHBondContact O-N 3.26Å
155	S	98	Very high	97.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-47.2	177.3	175.6	0	0	0	0	110.7	P37 D39 M151 I152 R153 E157 Q158 H159	P37-S155 WeakPolarHBondContact CG-OG 3.18Å; D39-S155 PolarHBondContact OD1-OG 3.15Å; D39-S155 VanDerWaalsContact OD1-OG 3.09Å; D39-S155 PolarHBondContact OD2-OG 2.94Å; M151-S155 WeakPolarHBondContact O-CB 3.36Å; M151-S155 PolarHBondContact O-N 3.28Å; I152-S155 PolarHBondContact O-N 3.39Å; R153-S155 VanDerWaalsContact C-N 3.34Å; R153-S155 PolarHBondContact O-N 2.95Å; S155-E157 PolarHBondContact O-N 3.44Å; S155-Q158 PolarHBondContact O-N 3.47Å; S155-H159 PolarHBondContact O-CD2 2.94Å; S155-H159 PolarHBondContact O-N 3.46Å
156	L	98.3	Very high	97.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-44.8	177.6	-67.3	178.3	0	0	0	112.8	P37 P67 I152 R153 H159 G160 L161 W163 A164	P37-L156 HydrophobicContact CG-CD2 4.4Å; P67-L156 HydrophobicContact CG-CD1 3.54Å; I152-L156 HydrophobicContact CG2-CD1 4.21Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.47Å; I152-L156 VanDerWaalsContact O-N 3.09Å; R153-L156 PolarHBondContact O-N 2.89Å; L156-H159 PolarHBondContact O-N 3.27Å; L156-G160 PolarHBondContact O-N 2.8Å; L156-L161 HydrophobicContact CD2-CB 3.8Å; L156-L161 HydrophobicContact CD2-CD1 4.34Å; L156-L161 PolarHBondContact O-N 2.95Å; L156-W163 WeakPolarHBondContact CD2-O 3.46Å; L156-A164 HydrophobicContact CD1-CB 4.35Å; L156-A164 HydrophobicContact CD2-CB 4.05Å
157	E	97.4	Very high	97.7	Very high	134 Å²	134	48.3 Å²	48.3	63%	0.626	24%	0.238	S	C	*	.	H	α-helix	trans	-61.8	-45	175.9	-72.6	169.7	-169.1	0	0	112.1	R153 R154 S155 H159 G160	R153-E157 WeakPolarHBondContact O-CG 3.47Å; R153-E157 PolarHBondContact O-N 2.98Å; R154-E157 PolarHBondContact O-N 3.45Å; S155-E157 PolarHBondContact O-N 3.44Å; E157-H159 VanDerWaalsContact C-N 3.32Å; E157-H159 PolarHBondContact O-N 3.15Å; E157-G160 PolarHBondContact O-N 2.78Å; E157-G160 VanDerWaalsContact O-N 3.13Å
158	Q	97.4	Very high	97.7	Very high	125 Å²	125	45.5 Å²	45.5	58%	0.584	23%	0.227	S	C	*	.	H	α-helix	trans	-63.5	-36.5	-180	-76.5	178.9	-19.7	0	0	112.8	R154 S155 G160	R154-Q158 HydrophobicContact CG-CG 4.36Å; R154-Q158 WeakPolarHBondContact O-CB 3.42Å; R154-Q158 WeakPolarHBondContact O-CG 3.36Å; R154-Q158 PolarHBondContact O-N 3.26Å; S155-Q158 PolarHBondContact O-N 3.47Å; Q158-G160 VanDerWaalsContact C-N 3.35Å
159	H	96.7	Very high	97.6	Very high	101 Å²	101	47.3 Å²	47.3	47%	0.468	24%	0.239	S	C	.	.	H	α-helix	trans	-86.9	-4.2	176.7	-67.6	-74.8	0	0	0	113.4	D39 S155 L156 E157 L161	D39-H159 VanDerWaalsContact CG-NE2 3.32Å; D39-H159 IonicContact OD1-CD2 2.93Å; D39-H159 IonicContact OD1-NE2 2.66Å; D39-H159 PolarHBondContact OD1-NE2 2.99Å; D39-H159 IonicContact OD2-CD2 3.7Å; D39-H159 IonicContact OD2-NE2 2.96Å; D39-H159 PolarHBondContact OD2-NE2 3.05Å; S155-H159 PolarHBondContact O-CD2 2.94Å; S155-H159 PolarHBondContact O-N 3.46Å; L156-H159 PolarHBondContact O-N 3.27Å; E157-H159 VanDerWaalsContact C-N 3.32Å; E157-H159 PolarHBondContact O-N 3.15Å; H159-L161 HydrophobicContact CB-CD1 3.72Å; H159-L161 HydrophobicContact CB-CG 3.69Å; H159-L161 PolarHBondContact O-N 3.28Å
160	G	97.2	Very high	97.4	Very high	64 Å²	64	48 Å²	48	66%	0.66	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	32	-174.2	0	0	0	0	0	112.9	L156 E157 Q158	L156-G160 PolarHBondContact O-N 2.8Å; E157-G160 PolarHBondContact O-N 2.78Å; E157-G160 VanDerWaalsContact O-N 3.13Å; Q158-G160 VanDerWaalsContact C-N 3.35Å
161	L	97.5	Very high	97	Very high	66 Å²	66	49 Å²	49	35%	0.346	25%	0.254	S	S	.	.			trans	-95.2	132.7	-177.2	-67.1	175.1	0	0	0	111	P37 L156 H159 W163	P37-L161 HydrophobicContact CB-CD1 3.91Å; P37-L161 HydrophobicContact CG-CD1 3.98Å; L156-L161 HydrophobicContact CD2-CB 3.8Å; L156-L161 HydrophobicContact CD2-CD1 4.34Å; L156-L161 PolarHBondContact O-N 2.95Å; H159-L161 HydrophobicContact CB-CD1 3.72Å; H159-L161 HydrophobicContact CB-CG 3.69Å; H159-L161 PolarHBondContact O-N 3.28Å; L161-W163 VanDerWaalsContact C-N 3.29Å; L161-W163 PolarHBondContact O-N 3.22Å
162	P	97.4	Very high	96.4	Very high	62 Å²	62	47.4 Å²	47.4	40%	0.403	25%	0.247	S	C	.	.	S	Bend	trans	-75.4	-14.8	178.5	29.3	-35.3	0	0	0	113.9	P67	P67-P162 WeakPolarHBondContact CD-O 3.33Å
163	W	98.6	Very high	95.6	Very high	73 Å²	73	53.2 Å²	53.2	28%	0.277	28%	0.283	S	S	.	.			trans	-161.9	158.7	179.3	54.4	79.7	0	0	0	112.4	H64 L65 V66 F82 L156 L161	H64-W163 HydrophobicContact CB-CB 3.96Å; H64-W163 HydrophobicContact CB-CD2 4.37Å; H64-W163 HydrophobicContact CB-CG 3.77Å; H64-W163 AromaticContact CD2-CD1 3.33Å; H64-W163 AromaticContact CD2-NE1 3.31Å; H64-W163 PolarHBondContact CD2-NE1 2.97Å; H64-W163 VanDerWaalsContact CD2-NE1 3.31Å; H64-W163 AromaticContact CE1-CE2 3.54Å; H64-W163 AromaticContact CE1-CZ2 3.83Å; H64-W163 AromaticContact CE1-NE1 3.39Å; H64-W163 PolarHBondContact CE1-NE1 3.19Å; H64-W163 AromaticContact CG-CD1 3.41Å; H64-W163 VanDerWaalsContact CG-CD1 3.41Å; H64-W163 AromaticContact CG-CG 3.73Å; H64-W163 AromaticContact CG-NE1 3.56Å; H64-W163 AromaticContact ND1-CD1 3.88Å; H64-W163 AromaticContact ND1-CD2 3.83Å; H64-W163 AromaticContact ND1-CE2 3.63Å; H64-W163 AromaticContact ND1-NE1 3.59Å; H64-W163 AromaticContact NE2-CD1 3.77Å; H64-W163 AromaticContact NE2-CE2 3.86Å; H64-W163 AromaticContact NE2-NE1 3.2Å; H64-W163 PolarHBondContact NE2-NE1 2.84Å; L65-W163 VanDerWaalsContact O-CA 3.29Å; L65-W163 WeakPolarHBondContact O-CA 3.2Å; L65-W163 WeakPolarHBondContact O-CB 3.21Å; V66-W163 HydrophobicContact CB-CB 4.5Å; V66-W163 HydrophobicContact CG2-CB 3.94Å; F82-W163 HydrophobicContact CD1-CE3 4.38Å; F82-W163 AromaticContact CD1-CZ3 3.64Å; F82-W163 HydrophobicContact CD1-CZ3 3.64Å; F82-W163 AromaticContact CE1-CZ3 3.93Å; F82-W163 HydrophobicContact CE1-CZ3 3.93Å; F82-W163 HydrophobicContact CG-CZ3 4.32Å; L156-W163 WeakPolarHBondContact CD2-O 3.46Å; L161-W163 VanDerWaalsContact C-N 3.29Å; L161-W163 PolarHBondContact O-N 3.22Å
164	A	98.7	Very high	94.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	156.4	163.3	0	0	0	0	0	110.1	V34 S36 H64 L65 L156 I166	V34-A164 HydrophobicContact CG1-CB 4.36Å; S36-A164 CarbonylContact O-C 3.55Å; S36-A164 VanDerWaalsContact O-CA 3.31Å; S36-A164 WeakPolarHBondContact O-CA 3.27Å; S36-A164 WeakPolarHBondContact O-CB 3.41Å; H64-A164 CarbonylContact C-O 3.6Å; H64-A164 WeakPolarHBondContact CA-O 3.28Å; L65-A164 HydrophobicContact CB-CB 4.28Å; L65-A164 PolarHBondContact N-O 3.17Å; L65-A164 PolarHBondContact O-N 2.76Å; L156-A164 HydrophobicContact CD1-CB 4.35Å; L156-A164 HydrophobicContact CD2-CB 4.05Å; A164-I166 HydrophobicContact CB-CG2 4.31Å
165	I	98.7	Very high	93.6	Very high	49 Å²	49	53.9 Å²	53.9	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	169	-56.6	173.7	0	0	0	107.2	L35 S36 Q62	L35-I165 WeakPolarHBondContact CA-O 3.39Å; L35-I165 HydrophobicContact CB-CG2 4.35Å; L35-I165 WeakPolarHBondContact CB-O 3.12Å; L35-I165 HydrophobicContact CD1-CG2 4.27Å; L35-I165 PolarHBondContact N-O 3.05Å; S36-I165 PolarHBondContact N-O 2.93Å; S36-I165 PolarHBondContact O-N 2.83Å; Q62-I165 HydrophobicContact CB-CG2 4.12Å; Q62-I165 HydrophobicContact CG-CG2 4.37Å
166	I	98.6	Very high	92.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160.2	-177	72.3	167.1	0	0	0	112.6	F32 Q33 V34 Q62 I63 L65 I87 I113 A164 I168	F32-I166 HydrophobicContact CD2-CB 4.41Å; F32-I166 HydrophobicContact CD2-CD1 4.1Å; F32-I166 HydrophobicContact CD2-CG2 4.32Å; Q33-I166 CarbonylContact O-C 3.59Å; Q33-I166 WeakPolarHBondContact O-CA 3.39Å; Q33-I166 WeakPolarHBondContact O-CB 3.46Å; V34-I166 HydrophobicContact CB-CG2 4.45Å; V34-I166 HydrophobicContact CG2-CG2 3.91Å; Q62-I166 WeakPolarHBondContact CA-O 3.23Å; I63-I166 HydrophobicContact CG2-CD1 4.31Å; I63-I166 HydrophobicContact CG2-CG1 3.65Å; I63-I166 PolarHBondContact N-O 2.96Å; I63-I166 PolarHBondContact O-N 3.31Å; L65-I166 HydrophobicContact CB-CD1 4.08Å; L65-I166 HydrophobicContact CB-CG1 4.29Å; L65-I166 HydrophobicContact CB-CG2 3.84Å; L65-I166 HydrophobicContact CD1-CD1 4.5Å; L65-I166 HydrophobicContact CD2-CD1 4.48Å; L65-I166 HydrophobicContact CD2-CG2 4.17Å; I87-I166 HydrophobicContact CD1-CD1 4.25Å; I113-I166 HydrophobicContact CD1-CD1 4.39Å; A164-I166 HydrophobicContact CB-CG2 4.31Å; I166-I168 HydrophobicContact CD1-CB 4.43Å; I166-I168 HydrophobicContact CD1-CG2 4.13Å
167	S	97.9	Very high	91.5	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.4	165.5	160.5	0	0	0	0	109.4	F32 Q33 R59 Y60 E61 V170	F32-S167 WeakPolarHBondContact CA-O 3.26Å; Q33-S167 PolarHBondContact N-O 3.14Å; Q33-S167 PolarHBondContact O-N 3.06Å; R59-S167 PolarHBondContact NE-OG 2.81Å; R59-S167 VanDerWaalsContact NE-OG 3.13Å; R59-S167 PolarHBondContact NH2-OG 3.02Å; Y60-S167 CarbonylContact O-C 3.57Å; Y60-S167 VanDerWaalsContact O-CA 3.27Å; Y60-S167 WeakPolarHBondContact O-CA 3.26Å; E61-S167 WeakPolarHBondContact O-CB 3.34Å; S167-V170 WeakPolarHBondContact O-CG2 3.45Å
168	I	97.2	Very high	90.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	140.8	-177.5	-170.1	174.2	0	0	0	112.8	L30 F32 F56 Y60 I63 I87 I113 L142 I166	L30-I168 HydrophobicContact CD2-CD1 3.65Å; L30-I168 HydrophobicContact CD2-CG1 3.55Å; F32-I168 HydrophobicContact CB-CB 3.77Å; F32-I168 HydrophobicContact CB-CD1 3.77Å; F32-I168 HydrophobicContact CB-CG1 3.73Å; F32-I168 HydrophobicContact CG-CD1 4.43Å; F56-I168 HydrophobicContact CE1-CD1 4.29Å; F56-I168 HydrophobicContact CE1-CG1 4.4Å; F56-I168 HydrophobicContact CE1-CG2 4.22Å; F56-I168 HydrophobicContact CE2-CD1 4.25Å; F56-I168 HydrophobicContact CZ-CD1 3.78Å; F56-I168 HydrophobicContact CZ-CG1 4.27Å; Y60-I168 HydrophobicContact CD2-CG2 4.05Å; Y60-I168 PolarHBondContact N-O 3.41Å; Y60-I168 PolarHBondContact O-N 3.27Å; I63-I168 HydrophobicContact CG2-CG2 4.14Å; I87-I168 HydrophobicContact CD1-CG2 3.6Å; I113-I168 HydrophobicContact CD1-CD1 4.4Å; L142-I168 HydrophobicContact CD1-CD1 3.62Å; I166-I168 HydrophobicContact CD1-CB 4.43Å; I166-I168 HydrophobicContact CD1-CG2 4.13Å
169	P	95.1	Very high	89.5	Confident	39 Å²	39	62.2 Å²	62.2	25%	0.253	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-71.2	154.3	-15.5	30.2	-35.2	0	0	0	112.3	L30 Y31 F56	L30-P169 HydrophobicContact CD1-CB 4.15Å; L30-P169 HydrophobicContact CD2-CB 4.04Å; L30-P169 HydrophobicContact CG-CB 3.98Å; Y31-P169 CarbonylContact O-C 3.45Å; Y31-P169 WeakPolarHBondContact O-CA 3.23Å; F56-P169 HydrophobicContact CB-CG 4.2Å
170	V	92.2	Very high	88.7	Confident	15 Å²	15	58.9 Å²	58.9	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.7	173.4	177.3	0	0	0	0	109.3	Y31 Q33 S167 V172	Y31-V170 PolarHBondContact O-N 3.31Å; Q33-V170 HydrophobicContact CB-CG2 3.95Å; S167-V170 WeakPolarHBondContact O-CG2 3.45Å; V170-V172 HydrophobicContact CG1-CG1 4.1Å
171	N	88.3	Confident	88.2	Confident	107 Å²	107	60.2 Å²	60.2	57%	0.572	33%	0.329	S	S	*	.			trans	-87.7	112.7	172.2	-174	-3.8	0	0	0	109.7	T173	N171-T173 WeakPolarHBondContact OD1-CB 3.47Å; N171-T173 WeakPolarHBondContact OD1-CG2 3.28Å; N171-T173 PolarHBondContact OD1-N 3.29Å; N171-T173 PolarHBondContact OD1-OG1 2.88Å
172	V	85.7	Confident	87.6	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.091	33%	0.325	C	S	.	.			trans	-101.9	-3.1	-179.9	-60.8	0	0	0	0	113.4	Y31 I43 V170 S174 I175 L180	Y31-V172 HydrophobicContact CD1-CG1 4.11Å; Y31-V172 HydrophobicContact CD1-CG2 4.01Å; Y31-V172 HydrophobicContact CD2-CB 4.47Å; Y31-V172 HydrophobicContact CD2-CG1 4.22Å; Y31-V172 HydrophobicContact CD2-CG2 3.44Å; Y31-V172 VanDerWaalsContact CD2-CG2 3.44Å; Y31-V172 HydrophobicContact CE1-CG2 3.9Å; Y31-V172 HydrophobicContact CE2-CG2 3.35Å; Y31-V172 HydrophobicContact CG-CB 4.47Å; Y31-V172 HydrophobicContact CG-CG1 3.81Å; Y31-V172 HydrophobicContact CG-CG2 3.78Å; I43-V172 HydrophobicContact CD1-CG1 4.44Å; I43-V172 HydrophobicContact CG2-CG1 4.03Å; V170-V172 HydrophobicContact CG1-CG1 4.1Å; V172-S174 PolarHBondContact O-N 3.06Å; V172-S174 VanDerWaalsContact O-N 3.16Å; V172-I175 HydrophobicContact CG1-CD1 4.49Å; V172-I175 PolarHBondContact O-N 3.41Å; V172-L180 HydrophobicContact CB-CD2 3.93Å; V172-L180 HydrophobicContact CG1-CD2 3.92Å
173	T	81.6	Confident	87.3	Confident	123 Å²	123	56.9 Å²	56.9	76%	0.755	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.8	-172.4	57.8	0	0	0	0	113.9	N171	N171-T173 WeakPolarHBondContact OD1-CB 3.47Å; N171-T173 WeakPolarHBondContact OD1-CG2 3.28Å; N171-T173 PolarHBondContact OD1-N 3.29Å; N171-T173 PolarHBondContact OD1-OG1 2.88Å
174	S	74.1	Confident	86.7	Confident	99 Å²	99	57.8 Å²	57.8	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	1.4	178.9	60.8	0	0	0	0	113.8	V172	V172-S174 PolarHBondContact O-N 3.06Å; V172-S174 VanDerWaalsContact O-N 3.16Å
175	I	78.9	Confident	86	Confident	52 Å²	52	59.5 Å²	59.5	27%	0.267	33%	0.328	S	S	.	.	S	Bend	trans	-96.3	119.6	-177.8	-53.6	178.4	0	0	0	107.9	V172 E179 L180	V172-I175 HydrophobicContact CG1-CD1 4.49Å; V172-I175 PolarHBondContact O-N 3.41Å; I175-E179 HydrophobicContact CG2-CB 3.9Å; I175-L180 HydrophobicContact CB-CD2 3.86Å; I175-L180 HydrophobicContact CB-CG 4.28Å; I175-L180 HydrophobicContact CD1-CD2 4.17Å; I175-L180 HydrophobicContact CG2-CD2 3.74Å; I175-L180 HydrophobicContact CG2-CG 3.89Å
176	P	77.8	Confident	84.9	Confident	52 Å²	52	57.5 Å²	57.5	34%	0.338	32%	0.319	S	S	.	.			trans	-57.4	143.7	172.8	-21.9	32.5	0	0	0	111.1	F178 E179 L180	P176-F178 HydrophobicContact CB-CD1 3.53Å; P176-F178 HydrophobicContact CB-CE1 3.19Å; P176-F178 HydrophobicContact CB-CG 4.44Å; P176-F178 HydrophobicContact CB-CZ 3.86Å; P176-F178 HydrophobicContact CG-CE1 3.89Å; P176-F178 HydrophobicContact CG-CZ 4.16Å; P176-F178 PolarHBondContact O-N 3.12Å; P176-E179 HydrophobicContact CB-CG 4.36Å; P176-E179 HydrophobicContact CG-CG 4.42Å; P176-E179 PolarHBondContact O-N 3Å; P176-L180 PolarHBondContact O-N 3.27Å
177	T	74.9	Confident	83.2	Confident	107 Å²	107	65.1 Å²	65.1	66%	0.656	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.9	-33.3	-175.5	-44.2	0	0	0	0	113.5	E179 L180	T177-E179 VanDerWaalsContact C-N 3.26Å; T177-E179 PolarHBondContact O-N 3.39Å; T177-L180 PolarHBondContact O-N 3.01Å
178	F	73.9	Confident	81.3	Confident	169 Å²	169	74 Å²	74	74%	0.741	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-71.6	-17.4	178.8	71.2	-92.8	0	0	0	114.1	P176	P176-F178 HydrophobicContact CB-CD1 3.53Å; P176-F178 HydrophobicContact CB-CE1 3.19Å; P176-F178 HydrophobicContact CB-CG 4.44Å; P176-F178 HydrophobicContact CB-CZ 3.86Å; P176-F178 HydrophobicContact CG-CE1 3.89Å; P176-F178 HydrophobicContact CG-CZ 4.16Å; P176-F178 PolarHBondContact O-N 3.12Å
179	E	77.9	Confident	80.5	Confident	111 Å²	111	77.7 Å²	77.7	52%	0.519	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-98.3	-11.2	176.7	-57	-174.4	174.3	0	0	112.1	I175 P176 T177 L181	I175-E179 HydrophobicContact CG2-CB 3.9Å; P176-E179 HydrophobicContact CB-CG 4.36Å; P176-E179 HydrophobicContact CG-CG 4.42Å; P176-E179 PolarHBondContact O-N 3Å; T177-E179 VanDerWaalsContact C-N 3.26Å; T177-E179 PolarHBondContact O-N 3.39Å; E179-L181 PolarHBondContact O-N 2.82Å; E179-L181 VanDerWaalsContact O-N 3.14Å
180	L	80.9	Confident	79.7	Confident	32 Å²	32	79.7 Å²	79.7	17%	0.168	41%	0.412	C	S	.	.			trans	-66.8	114.6	173.7	-72.5	170.2	0	0	0	108.9	I43 V172 I175 P176 T177 Q182	I43-L180 HydrophobicContact CD1-CD2 3.85Å; V172-L180 HydrophobicContact CB-CD2 3.93Å; V172-L180 HydrophobicContact CG1-CD2 3.92Å; I175-L180 HydrophobicContact CB-CD2 3.86Å; I175-L180 HydrophobicContact CB-CG 4.28Å; I175-L180 HydrophobicContact CD1-CD2 4.17Å; I175-L180 HydrophobicContact CG2-CD2 3.74Å; I175-L180 HydrophobicContact CG2-CG 3.89Å; P176-L180 PolarHBondContact O-N 3.27Å; T177-L180 PolarHBondContact O-N 3.01Å; L180-Q182 HydrophobicContact CB-CG 3.86Å; L180-Q182 PolarHBondContact O-N 3.17Å
181	L	86.4	Confident	79	Confident	91 Å²	91	83.3 Å²	83.3	48%	0.476	43%	0.43	S	S	.	.			trans	-71.7	71.6	172.8	-64.6	175.9	0	0	0	109.7	Y42 I43 E179	Y42-L181 CarbonylContact C-O 3.39Å; Y42-L181 WeakPolarHBondContact CA-O 3.44Å; Y42-L181 VanDerWaalsContact CB-O 3.23Å; Y42-L181 WeakPolarHBondContact CB-O 3.1Å; Y42-L181 HydrophobicContact CD1-CB 4.45Å; Y42-L181 WeakPolarHBondContact CD1-O 3.32Å; I43-L181 PolarHBondContact N-O 2.79Å; E179-L181 PolarHBondContact O-N 2.82Å; E179-L181 VanDerWaalsContact O-N 3.14Å
182	Q	85.8	Confident	78.5	Confident	57 Å²	57	81.9 Å²	81.9	27%	0.266	42%	0.422	S	S	.	.			trans	-82	151.5	-179	-66.9	179.2	-27.6	0	0	111.4	Y42 L180 W188	Y42-Q182 VanDerWaalsContact CD1-O 3.23Å; Y42-Q182 WeakPolarHBondContact CD1-O 3.45Å; L180-Q182 HydrophobicContact CB-CG 3.86Å; L180-Q182 PolarHBondContact O-N 3.17Å; Q182-W188 HydrophobicContact CB-CZ2 4.04Å; Q182-W188 HydrophobicContact CG-CZ2 4.03Å
183	P	89.4	Confident	78	Confident	2 Å²	2	86.1 Å²	86.1	1%	0.013	44%	0.442	C	S	.	.			trans	-59.3	130.3	172.4	-20.6	31.2	0	0	0	110.9	Y42 I43 F44 W185 T186	Y42-P183 HydrophobicContact CD2-CB 4.42Å; Y42-P183 HydrophobicContact CG-CB 4.47Å; Y42-P183 HydrophobicContact CG-CG 4.36Å; I43-P183 WeakPolarHBondContact O-CD 3.43Å; F44-P183 HydrophobicContact CD1-CG 3.77Å; F44-P183 HydrophobicContact CE1-CB 4.37Å; F44-P183 HydrophobicContact CE1-CG 3.6Å; F44-P183 HydrophobicContact CG-CG 4.41Å; F44-P183 HydrophobicContact CZ-CG 4.1Å; P183-W185 HydrophobicContact CB-CD2 3.96Å; P183-W185 VanDerWaalsContact CB-CE2 3.43Å; P183-W185 HydrophobicContact CB-CG 4.42Å; P183-W185 HydrophobicContact CB-CH2 4.2Å; P183-W185 HydrophobicContact CB-CZ2 3.59Å; P183-W185 HydrophobicContact CG-CZ2 4.39Å; P183-W185 PolarHBondContact O-N 3.37Å; P183-W185 VanDerWaalsContact O-N 3.12Å; P183-T186 PolarHBondContact O-N 2.79Å
184	P	87.1	Confident	77.8	Confident	91 Å²	91	83.6 Å²	83.6	59%	0.591	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.1	-174.4	28.2	-35.9	0	0	0	114	Y42	Y42-P184 VanDerWaalsContact CZ-CD 3.5Å
185	W	83.4	Confident	78	Confident	36 Å²	36	82.5 Å²	82.5	14%	0.136	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-4.5	-176.7	55.8	69.8	0	0	0	114.2	I40 Y42 F44 R147 D148 M151 P183	I40-W185 HydrophobicContact CG2-CH2 4.24Å; Y42-W185 AromaticContact CD2-CH2 3.92Å; Y42-W185 HydrophobicContact CD2-CH2 3.92Å; Y42-W185 HydrophobicContact CD2-CZ3 4.46Å; Y42-W185 AromaticContact CE2-CH2 3.8Å; Y42-W185 HydrophobicContact CE2-CH2 3.8Å; Y42-W185 AromaticContact CE2-CZ3 3.93Å; Y42-W185 HydrophobicContact CE2-CZ3 3.93Å; F44-W185 HydrophobicContact CE1-CZ2 4.1Å; F44-W185 HydrophobicContact CZ-CZ2 4.26Å; R147-W185 HydrophobicContact CG-CG 4.2Å; R147-W185 PolarHBondContact NH1-O 3.16Å; R147-W185 VanDerWaalsContact NH1-O 3.16Å; D148-W185 PolarHBondContact OD1-NE1 2.97Å; M151-W185 HydrophobicContact CB-CD2 4.48Å; M151-W185 HydrophobicContact CB-CH2 3.85Å; M151-W185 HydrophobicContact CB-CZ2 3.38Å; M151-W185 HydrophobicContact CE-CD2 4.06Å; M151-W185 HydrophobicContact CE-CE3 3.56Å; M151-W185 HydrophobicContact CE-CH2 3.91Å; M151-W185 HydrophobicContact CE-CZ2 4.36Å; M151-W185 HydrophobicContact CE-CZ3 3.48Å; M151-W185 VanDerWaalsContact CE-CZ3 3.48Å; M151-W185 HydrophobicContact CG-CD2 3.88Å; M151-W185 HydrophobicContact CG-CE3 4.33Å; M151-W185 HydrophobicContact CG-CG 4.4Å; M151-W185 HydrophobicContact CG-CH2 4.2Å; M151-W185 HydrophobicContact CG-CZ2 3.72Å; M151-W185 HydrophobicContact CG-CZ3 4.48Å; P183-W185 HydrophobicContact CB-CD2 3.96Å; P183-W185 VanDerWaalsContact CB-CE2 3.43Å; P183-W185 HydrophobicContact CB-CG 4.42Å; P183-W185 HydrophobicContact CB-CH2 4.2Å; P183-W185 HydrophobicContact CB-CZ2 3.59Å; P183-W185 HydrophobicContact CG-CZ2 4.39Å; P183-W185 PolarHBondContact O-N 3.37Å; P183-W185 VanDerWaalsContact O-N 3.12Å
186	T	75.2	Confident	78	Confident	8 Å²	8	84.8 Å²	84.8	5%	0.049	41%	0.413	C	S	.	.	S	Bend	trans	-94.7	116.7	175.6	-50.5	0	0	0	0	106.5	L145 D148 P183 W188	L145-T186 HydrophobicContact CD1-CG2 4.33Å; D148-T186 PolarHBondContact OD1-OG1 3.04Å; P183-T186 PolarHBondContact O-N 2.79Å; T186-W188 HydrophobicContact CG2-CD2 4.39Å; T186-W188 HydrophobicContact CG2-CH2 4.28Å; T186-W188 HydrophobicContact CG2-CZ2 3.82Å; T186-W188 PolarHBondContact O-NE1 3.32Å
187	F	63.4	Low	78	Confident	160 Å²	160	87.6 Å²	87.6	70%	0.702	42%	0.419	S	S	*	.			trans	-84.6	127.8	176.3	-67.9	-79.2	0	0	0	108.5
188	W	57.5	Low	78.3	Confident	187 Å²	187	85.8 Å²	85.8	71%	0.708	40%	0.397	S	S	*	.			trans	-110.4	0	-177	-48.6	83.5	0	0	0	110.5	T45 Q182 T186	T45-W188 WeakPolarHBondContact OG1-CH2 3.5Å; Q182-W188 HydrophobicContact CB-CZ2 4.04Å; Q182-W188 HydrophobicContact CG-CZ2 4.03Å; T186-W188 HydrophobicContact CG2-CD2 4.39Å; T186-W188 HydrophobicContact CG2-CH2 4.28Å; T186-W188 HydrophobicContact CG2-CZ2 3.82Å; T186-W188 PolarHBondContact O-NE1 3.32Å

Retrieved 188 of 188 residues in 55.3 ms (Link to these results)

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