A0A024R4M4_HUMAN Loading...

Kallikrein 12, isoform CRA_c

AlphaFold DB (Q9UKR0), UniProt , Accession A0A024R4M4, Species HUMAN (Homo sapiens, Human), Gene KLNK, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	45.4	Very low	251 Å²	251	146.2 Å²	146.2	100%	1.236	82%	0.819	S	S	*	*				0	119.6	0	-61.3	158.3	69.4	0	0	106.4
2	G	43.3	Very low	45.3	Very low	70 Å²	70	146.8 Å²	146.8	72%	0.722	82%	0.818	S	S	*	*			cis	-177	110.8	0.2	0	0	0	0	0	103.8	S4	G2-S4 PolarHBondContact O-N 2.91Å; G2-S4 VanDerWaalsContact O-N 3.14Å
3	L	43.4	Very low	44.9	Very low	156 Å²	156	141.2 Å²	141.2	82%	0.817	81%	0.813	S	S	*	*			trans	-89.6	79.2	-163.1	-162.7	81.6	0	0	0	110.9	I5	L3-I5 HydrophobicContact CD2-CD1 3.9Å; L3-I5 HydrophobicContact CD2-CG1 4.39Å; L3-I5 HydrophobicContact CG-CD1 4.37Å; L3-I5 HydrophobicContact CG-CG1 4.33Å; L3-I5 PolarHBondContact O-N 3.06Å; L3-I5 VanDerWaalsContact O-N 3.09Å
4	S	48.5	Very low	44.6	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	82%	0.818	S	S	*	*			trans	-77.3	92.2	177.6	-64	0	0	0	0	111.2	G2	G2-S4 PolarHBondContact O-N 2.91Å; G2-S4 VanDerWaalsContact O-N 3.14Å
5	I	48.7	Very low	44.3	Very low	137 Å²	137	140.9 Å²	140.9	70%	0.703	82%	0.815	S	S	*	*			trans	-84.5	139.6	171	-71.1	174.5	0	0	0	110.1	L3	L3-I5 HydrophobicContact CD2-CD1 3.9Å; L3-I5 HydrophobicContact CD2-CG1 4.39Å; L3-I5 HydrophobicContact CG-CD1 4.37Å; L3-I5 HydrophobicContact CG-CG1 4.33Å; L3-I5 PolarHBondContact O-N 3.06Å; L3-I5 VanDerWaalsContact O-N 3.09Å
6	F	44.8	Very low	44.2	Very low	182 Å²	182	143.9 Å²	143.9	80%	0.798	82%	0.819	S	S	*	*			trans	-54.4	140.4	179.5	-68.8	-105.1	0	0	0	113.5
7	L	49	Very low	44.1	Very low	161 Å²	161	141 Å²	141	84%	0.843	82%	0.817	S	S	*	*			trans	-116.3	96.6	152.2	-139.6	89.7	0	0	0	108.8	L9	L7-L9 PolarHBondContact O-N 3.24Å
8	L	46.5	Very low	43.8	Very low	146 Å²	146	137.4 Å²	137.4	76%	0.764	81%	0.807	S	S	*	*			trans	-78.2	98.7	177.3	-158.6	82.3	0	0	0	108.4	C10	L8-C10 PolarHBondContact O-N 3.04Å
9	L	47.1	Very low	43.3	Very low	149 Å²	149	134.7 Å²	134.7	78%	0.78	79%	0.792	S	S	*	*			trans	-70.8	91.7	176.1	-86.7	156.9	0	0	0	110	L7 V11	L7-L9 PolarHBondContact O-N 3.24Å; L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 2.93Å
10	C	41.5	Very low	42.8	Very low	105 Å²	105	132.1 Å²	132.1	71%	0.709	78%	0.779	S	S	*	*			trans	-63.1	91.6	166.9	-75.1	0	0	0	0	109.8	L8 L12	L8-C10 PolarHBondContact O-N 3.04Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 2.69Å
11	V	47.4	Very low	42.9	Very low	131 Å²	131	126.8 Å²	126.8	79%	0.794	75%	0.746	S	S	*	*			trans	-66.6	98.5	166.2	-177	0	0	0	0	107.2	L9 G13	L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 2.93Å; V11-G13 PolarHBondContact O-N 2.65Å
12	L	44.6	Very low	43.4	Very low	154 Å²	154	114.9 Å²	114.9	81%	0.806	69%	0.687	S	S	*	*			trans	-55.9	110.1	171.3	-76.6	162.2	0	0	0	108	C10 L14	C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 2.69Å; L12-L14 PolarHBondContact O-N 3.49Å
13	G	40	Very low	43.5	Very low	74 Å²	74	114.2 Å²	114.2	76%	0.763	67%	0.665	S	S	*	*			trans	-62.4	100.5	176.5	0	0	0	0	0	109.5	V11 S15	V11-G13 PolarHBondContact O-N 2.65Å; G13-S15 VanDerWaalsContact C-N 3.25Å; G13-S15 PolarHBondContact O-N 3Å
14	L	41.1	Very low	43.9	Very low	168 Å²	168	111.2 Å²	111.2	88%	0.88	65%	0.65	S	S	*	*			trans	-60.8	92.7	164.6	-78.2	161.6	0	0	0	107.4	L12 Q16	L12-L14 PolarHBondContact O-N 3.49Å; L14-Q16 PolarHBondContact O-N 3.39Å
15	S	40.4	Very low	44.6	Very low	110 Å²	110	105.8 Å²	105.8	77%	0.769	61%	0.612	S	S	*	*			trans	-60.4	108.3	170	59.4	0	0	0	0	107.1	G13 A17	G13-S15 VanDerWaalsContact C-N 3.25Å; G13-S15 PolarHBondContact O-N 3Å; S15-A17 PolarHBondContact O-N 2.75Å; S15-A17 VanDerWaalsContact O-N 3.09Å
16	Q	42	Very low	46.2	Very low	189 Å²	189	103.8 Å²	103.8	88%	0.883	61%	0.607	S	S	*	*			trans	-56.3	122.1	173.9	-69	-166.4	1.4	0	0	108.1	L14 A18	L14-Q16 PolarHBondContact O-N 3.39Å; Q16-A18 PolarHBondContact O-N 3.49Å
17	A	42.9	Very low	48.4	Very low	94 Å²	94	99.8 Å²	99.8	78%	0.777	59%	0.59	S	S	*	*			trans	-60.6	113.9	179.3	0	0	0	0	0	108.4	S15 T19	S15-A17 PolarHBondContact O-N 2.75Å; S15-A17 VanDerWaalsContact O-N 3.09Å; A17-T19 PolarHBondContact O-N 2.82Å; A17-T19 VanDerWaalsContact O-N 3.1Å
18	A	37.5	Very low	50.5	Low	77 Å²	77	92.4 Å²	92.4	64%	0.636	55%	0.552	S	S	*	*			trans	-66.3	111.8	-177.3	0	0	0	0	0	109.7	Q16	Q16-A18 PolarHBondContact O-N 3.49Å
19	T	35.7	Very low	52.8	Low	85 Å²	85	87.6 Å²	87.6	52%	0.521	54%	0.538	S	S	.	.			trans	-69.8	132.1	-175.8	46.6	0	0	0	0	112	A17 K21	A17-T19 PolarHBondContact O-N 2.82Å; A17-T19 VanDerWaalsContact O-N 3.1Å; T19-K21 PolarHBondContact O-NZ 2.57Å; T19-K21 PolarHBondContact OG1-NZ 2.59Å
20	P	32.5	Very low	55	Low	82 Å²	82	86.4 Å²	86.4	53%	0.532	52%	0.523	S	S	.	.			trans	-63.5	163.2	174.6	-20.1	32.9	0	0	0	113
21	K	44.3	Very low	57.5	Low	22 Å²	22	83.9 Å²	83.9	10%	0.096	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.2	170.4	-176.5	-56.5	-173.6	172.5	57.3	0	108	T19 F23 T148 N149 Q160	T19-K21 PolarHBondContact O-NZ 2.57Å; T19-K21 PolarHBondContact OG1-NZ 2.59Å; K21-F23 HydrophobicContact CD-CB 4.28Å; K21-F23 HydrophobicContact CD-CD1 3.64Å; K21-F23 HydrophobicContact CD-CD2 4.02Å; K21-F23 HydrophobicContact CD-CE1 4.03Å; K21-F23 HydrophobicContact CD-CE2 4.39Å; K21-F23 HydrophobicContact CD-CG 3.66Å; K21-F23 HydrophobicContact CD-CZ 4.4Å; K21-F23 HydrophobicContact CG-CB 4.44Å; K21-F23 HydrophobicContact CG-CD1 4.25Å; K21-F23 HydrophobicContact CG-CG 4.29Å; K21-T148 VanDerWaalsContact C-CG2 3.45Å; K21-T148 VanDerWaalsContact O-CB 3.28Å; K21-T148 WeakPolarHBondContact O-CB 3.48Å; K21-T148 WeakPolarHBondContact O-CG2 3.24Å; K21-N149 HydrophobicContact CD-CB 3.62Å; K21-Q160 PolarHBondContact O-OE1 2.89Å
22	I	49.3	Very low	59.8	Low	0 Å²	0	80 Å²	80	0%	0	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	cis	-11	120.8	-13	-64.2	-179.5	0	0	0	111.8	N24 G25 Q160 L162 D194	I22-N24 PolarHBondContact O-N 3.15Å; I22-G25 VanDerWaalsContact O-CA 3.25Å; I22-G25 WeakPolarHBondContact O-CA 3.34Å; I22-G25 PolarHBondContact O-N 3.36Å; I22-Q160 HydrophobicContact CB-CB 4.1Å; I22-Q160 HydrophobicContact CD1-CB 3.79Å; I22-Q160 HydrophobicContact CG1-CB 3.81Å; I22-Q160 HydrophobicContact CG1-CG 4.48Å; I22-L162 HydrophobicContact CG2-CB 3.85Å; I22-L162 HydrophobicContact CG2-CD2 3.88Å; I22-D194 VanDerWaalsContact CG2-O 3.22Å; I22-D194 WeakPolarHBondContact CG2-O 3.4Å
23	F	46.5	Very low	62.3	Low	56 Å²	56	73.7 Å²	73.7	25%	0.246	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	119.4	-152.8	-141.4	-48.1	0	0	0	112.6	K21 G25 N149 G192 Q193 C222	K21-F23 HydrophobicContact CD-CB 4.28Å; K21-F23 HydrophobicContact CD-CD1 3.64Å; K21-F23 HydrophobicContact CD-CD2 4.02Å; K21-F23 HydrophobicContact CD-CE1 4.03Å; K21-F23 HydrophobicContact CD-CE2 4.39Å; K21-F23 HydrophobicContact CD-CG 3.66Å; K21-F23 HydrophobicContact CD-CZ 4.4Å; K21-F23 HydrophobicContact CG-CB 4.44Å; K21-F23 HydrophobicContact CG-CD1 4.25Å; K21-F23 HydrophobicContact CG-CG 4.29Å; F23-G25 PolarHBondContact O-N 3.4Å; F23-N149 WeakPolarHBondContact CD2-ND2 3.21Å; F23-N149 WeakPolarHBondContact CE2-ND2 3.39Å; F23-G192 CarbonylContact C-O 3.52Å; F23-G192 VanDerWaalsContact CB-C 3.42Å; F23-G192 WeakPolarHBondContact CB-O 3.05Å; F23-G192 WeakPolarHBondContact CD1-O 3.39Å; F23-G192 VanDerWaalsContact CG-C 3.49Å; F23-G192 WeakPolarHBondContact CG-O 3.33Å; F23-Q193 WeakPolarHBondContact O-CA 3.2Å; F23-C222 VanDerWaalsContact CD2-O 3.29Å; F23-C222 WeakPolarHBondContact CD2-O 3.44Å
24	N	50.9	Low	65.1	Low	94 Å²	94	70.7 Å²	70.7	50%	0.503	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	6.7	-173.5	-159.2	66.8	0	0	0	117.3	I22 G192 Q193	I22-N24 PolarHBondContact O-N 3.15Å; N24-G192 VanDerWaalsContact CB-O 3.27Å; N24-G192 WeakPolarHBondContact CB-O 3.47Å; N24-G192 PolarHBondContact N-O 3.13Å; N24-Q193 HydrophobicContact CB-CG 4.08Å
25	G	64	Low	67.8	Low	5 Å²	5	64.4 Å²	64.4	5%	0.052	38%	0.379	C	S	.	.			trans	-69.7	161.9	162.6	0	0	0	0	0	112.3	I22 F23 C161	I22-G25 VanDerWaalsContact O-CA 3.25Å; I22-G25 WeakPolarHBondContact O-CA 3.34Å; I22-G25 PolarHBondContact O-N 3.36Å; F23-G25 PolarHBondContact O-N 3.4Å; G25-C161 CarbonylContact C-O 3.47Å; G25-C161 WeakPolarHBondContact CA-O 3.24Å
26	T	83	Confident	70.6	Confident	96 Å²	96	59.3 Å²	59.3	59%	0.589	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	168.2	178.7	61.7	0	0	0	0	110.1	C28 Q160 C161	T26-C28 PolarHBondContact O-N 2.8Å; T26-Q160 CarbonylContact O-C 3.48Å; T26-Q160 WeakPolarHBondContact O-CA 3.29Å; T26-C161 PolarHBondContact N-O 2.94Å; T26-C161 PolarHBondContact O-N 2.9Å
27	E	90.8	Very high	73.3	Confident	97 Å²	97	50.3 Å²	50.3	45%	0.453	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	132.1	159.9	-168.2	-174.3	155.5	0	0	109.1	H75 L158	E27-H75 IonicContact OE1-CD2 3.78Å; E27-H75 IonicContact OE1-CE1 3.82Å; E27-H75 IonicContact OE1-NE2 3.23Å; E27-H75 PolarHBondContact OE1-NE2 2.92Å; E27-L158 HydrophobicContact CG-CB 4.07Å; E27-L158 HydrophobicContact CG-CD1 4.2Å; E27-L158 WeakPolarHBondContact OE2-CD1 3.43Å
28	C	93.5	Very high	75.9	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.041	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-62.8	156.4	171.8	-66.1	0	0	0	0	110	T26 R30 Q33 H75 L159 Q160 C161	T26-C28 PolarHBondContact O-N 2.8Å; C28-R30 PolarHBondContact O-N 2.86Å; C28-Q33 HydrophobicContact CB-CG 4.41Å; C28-H75 PolarHBondContact O-CE1 2.82Å; C28-L159 HydrophobicContact CB-CB 4.49Å; C28-L159 HydrophobicContact CB-CD2 4.18Å; C28-L159 HydrophobicContact CB-CG 4.3Å; C28-L159 PolarHBondContact N-O 2.78Å; C28-L159 VanDerWaalsContact SG-CG 3.57Å; C28-Q160 PolarHBondContact SG-O 3.37Å; C28-Q160 VanDerWaalsContact SG-O 3.38Å; C28-C161 HydrophobicContact CB-CB 4.05Å; C28-C161 WeakPolarHBondContact CB-SG 3.27Å; C28-C161 VanDerWaalsContact SG-CA 3.57Å; C28-C161 WeakPolarHBondContact SG-CB 3.28Å; C28-C161 PolarHBondContact SG-N 3.31Å; C28-C161 VanDerWaalsContact SG-N 3.35Å; C28-C161 CovalentContact SG-SG 2.03Å; C28-C161 PolarHBondContact SG-SG 2.89Å
29	G	93.6	Very high	78.7	Confident	46 Å²	46	42.1 Å²	42.1	47%	0.474	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-58.3	133.9	161.8	0	0	0	0	0	109.2	N31 S32	G29-N31 PolarHBondContact O-N 3.45Å; G29-S32 PolarHBondContact N-OG 3.12Å; G29-S32 WeakPolarHBondContact O-CB 3.36Å; G29-S32 PolarHBondContact O-N 2.93Å; G29-S32 PolarHBondContact O-OG 3.07Å
30	R	93.4	Very high	81.5	Confident	124 Å²	124	38.4 Å²	38.4	47%	0.468	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	131.5	177.5	-175.6	-179.1	-65.6	-95.2	-2.8	109.7	C28 S32 H75 D81	C28-R30 PolarHBondContact O-N 2.86Å; R30-S32 PolarHBondContact O-N 2.88Å; R30-H75 HydrophobicContact CG-CB 4.08Å; R30-D81 IonicContact CZ-OD2 2.77Å; R30-D81 IonicContact NH1-OD2 2.69Å; R30-D81 PolarHBondContact NH1-OD2 2.65Å
31	N	93.4	Very high	84.4	Confident	51 Å²	51	37.4 Å²	37.4	27%	0.273	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	10.8	-175.9	-52.6	-41.6	0	0	0	115.7	G29 Q33 S123	G29-N31 PolarHBondContact O-N 3.45Å; N31-Q33 VanDerWaalsContact C-N 3.3Å; N31-Q33 PolarHBondContact O-N 3.32Å; N31-S123 PolarHBondContact ND2-OG 2.72Å; N31-S123 WeakPolarHBondContact OD1-CB 3.46Å; N31-S123 PolarHBondContact OD1-OG 3.06Å
32	S	96.5	Very high	86.6	Confident	50 Å²	50	38.9 Å²	38.9	35%	0.35	22%	0.221	S	C	.	.	S	Bend	trans	-74.8	-15.3	-179	66.4	0	0	0	0	114.8	G29 R30 P34	G29-S32 PolarHBondContact N-OG 3.12Å; G29-S32 WeakPolarHBondContact O-CB 3.36Å; G29-S32 PolarHBondContact O-N 2.93Å; G29-S32 PolarHBondContact O-OG 3.07Å; R30-S32 PolarHBondContact O-N 2.88Å; S32-P34 VanDerWaalsContact O-CD 3.29Å; S32-P34 WeakPolarHBondContact O-CD 3.45Å
33	Q	97.8	Very high	88.4	Confident	21 Å²	21	45.3 Å²	45.3	10%	0.098	26%	0.26	C	S	.	.			trans	-117.8	61.6	179	-52.6	-58.9	-38.7	0	0	110.8	C28 N31 W35 Q36 H141 L159	C28-Q33 HydrophobicContact CB-CG 4.41Å; N31-Q33 VanDerWaalsContact C-N 3.3Å; N31-Q33 PolarHBondContact O-N 3.32Å; Q33-W35 PolarHBondContact O-N 2.79Å; Q33-Q36 HydrophobicContact CB-CB 4.05Å; Q33-Q36 WeakPolarHBondContact O-CB 3.32Å; Q33-Q36 PolarHBondContact O-N 2.96Å; Q33-H141 PolarHBondContact NE2-NE2 3.23Å; Q33-H141 PolarHBondContact OE1-CD2 2.76Å; Q33-H141 PolarHBondContact OE1-NE2 2.82Å; Q33-L159 HydrophobicContact CB-CD2 3.83Å; Q33-L159 HydrophobicContact CG-CD2 3.95Å
34	P	98.2	Very high	90.5	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.071	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.8	-169.1	30.9	-38.5	0	0	0	114.6	S32 S123 V124 Q125	S32-P34 VanDerWaalsContact O-CD 3.29Å; S32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-S123 VanDerWaalsContact CA-O 3.27Å; P34-S123 WeakPolarHBondContact CA-O 3.25Å; P34-S123 VanDerWaalsContact CB-C 3.45Å; P34-S123 WeakPolarHBondContact CB-O 3.44Å; P34-V124 CarbonylContact O-C 3.32Å; P34-V124 VanDerWaalsContact O-CA 3.27Å; P34-V124 WeakPolarHBondContact O-CA 3.07Å; P34-Q125 CarbonylContact C-O 2.93Å; P34-Q125 HydrophobicContact CB-CB 4Å; P34-Q125 HydrophobicContact CB-CG 4.03Å; P34-Q125 HydrophobicContact CG-CB 3.99Å; P34-Q125 HydrophobicContact CG-CG 4.2Å; P34-Q125 PolarHBondContact O-N 2.86Å
35	W	98.8	Very high	92.5	Very high	36 Å²	36	42.8 Å²	42.8	14%	0.136	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-11	171.2	46.7	77.4	0	0	0	113.9	Q33 V37 V50 L51 Q125 L127 H141 V205	Q33-W35 PolarHBondContact O-N 2.79Å; W35-V37 PolarHBondContact O-N 3.1Å; W35-V50 HydrophobicContact CB-CG1 4.12Å; W35-V50 HydrophobicContact CG-CG1 4.43Å; W35-V50 WeakPolarHBondContact O-CA 3.29Å; W35-L51 PolarHBondContact O-N 3.09Å; W35-Q125 WeakPolarHBondContact CA-O 3.46Å; W35-Q125 WeakPolarHBondContact CB-O 3.18Å; W35-Q125 PolarHBondContact N-O 2.86Å; W35-L127 HydrophobicContact CB-CB 3.6Å; W35-L127 HydrophobicContact CD2-CB 3.9Å; W35-L127 HydrophobicContact CD2-CD1 3.66Å; W35-L127 HydrophobicContact CD2-CD2 4.26Å; W35-L127 HydrophobicContact CD2-CG 4.15Å; W35-L127 HydrophobicContact CE3-CB 4.1Å; W35-L127 HydrophobicContact CE3-CD1 3.62Å; W35-L127 HydrophobicContact CE3-CG 4.39Å; W35-L127 HydrophobicContact CG-CB 3.68Å; W35-L127 HydrophobicContact CG-CD1 4.28Å; W35-L127 HydrophobicContact CG-CD2 4.12Å; W35-L127 HydrophobicContact CG-CG 4.25Å; W35-L127 HydrophobicContact CH2-CD1 4.06Å; W35-L127 HydrophobicContact CZ2-CD1 4.09Å; W35-L127 HydrophobicContact CZ3-CD1 3.83Å; W35-H141 AromaticContact CE2-NE2 3.89Å; W35-H141 AromaticContact CZ2-NE2 3.11Å; W35-H141 WeakPolarHBondContact CZ2-NE2 3.32Å; W35-V205 HydrophobicContact CZ2-CG1 4.44Å; W35-V205 HydrophobicContact CZ2-CG2 4.2Å
36	Q	98.6	Very high	93.9	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.8	-176.7	-176.6	67.9	51.6	0	0	110.6	Q33 S143 W145 L159	Q33-Q36 HydrophobicContact CB-CB 4.05Å; Q33-Q36 WeakPolarHBondContact O-CB 3.32Å; Q33-Q36 PolarHBondContact O-N 2.96Å; Q36-S143 PolarHBondContact OE1-O 3.18Å; Q36-S143 VanDerWaalsContact OE1-O 3.1Å; Q36-S143 PolarHBondContact OE1-OG 3.34Å; Q36-W145 HydrophobicContact CG-CE3 4.46Å; Q36-W145 HydrophobicContact CG-CH2 3.54Å; Q36-W145 HydrophobicContact CG-CZ2 4.47Å; Q36-W145 HydrophobicContact CG-CZ3 3.54Å; Q36-L159 HydrophobicContact CB-CD2 4.36Å; Q36-L159 HydrophobicContact CG-CD1 3.78Å; Q36-L159 HydrophobicContact CG-CD2 4.14Å
37	V	98.3	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.4	174	176.4	0	0	0	0	109.6	W35 L39 G48 G49 L51 V57 V70 R71 L72	W35-V37 PolarHBondContact O-N 3.1Å; V37-L39 HydrophobicContact CG1-CD2 3.68Å; V37-L39 HydrophobicContact CG1-CG 4.24Å; V37-G48 CarbonylContact O-C 3.59Å; V37-G48 WeakPolarHBondContact O-CA 3.33Å; V37-G49 WeakPolarHBondContact CB-O 3.42Å; V37-G49 PolarHBondContact N-O 2.91Å; V37-G49 PolarHBondContact O-N 2.95Å; V37-L51 HydrophobicContact CG2-CB 4.27Å; V37-V57 HydrophobicContact CB-CG1 4.28Å; V37-V57 HydrophobicContact CG1-CG1 4.13Å; V37-V57 HydrophobicContact CG2-CG1 4.02Å; V37-V57 HydrophobicContact CG2-CG2 4.02Å; V37-V70 HydrophobicContact CG1-CG1 3.44Å; V37-V70 VanDerWaalsContact CG1-CG1 3.44Å; V37-R71 WeakPolarHBondContact CA-O 3.26Å; V37-L72 HydrophobicContact CG2-CD2 3.69Å; V37-L72 HydrophobicContact CG2-CG 4.03Å
38	G	96.9	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.7	159.8	0	0	0	0	0	110.5	R71	G38-R71 PolarHBondContact N-O 3.32Å; G38-R71 PolarHBondContact O-N 2.72Å
39	L	97	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.2	178	-61	-178.3	0	0	0	110.2	V37 R46 C47 G48 T59 Y68 V70 L112	V37-L39 HydrophobicContact CG1-CD2 3.68Å; V37-L39 HydrophobicContact CG1-CG 4.24Å; L39-R46 PolarHBondContact O-N 3.43Å; L39-C47 HydrophobicContact CB-CB 4.4Å; L39-C47 WeakPolarHBondContact CB-O 3.47Å; L39-C47 HydrophobicContact CD1-CB 4.24Å; L39-C47 PolarHBondContact N-O 3.49Å; L39-G48 WeakPolarHBondContact CD1-O 3.47Å; L39-T59 HydrophobicContact CD1-CG2 3.78Å; L39-T59 WeakPolarHBondContact CD1-OG1 3.43Å; L39-Y68 HydrophobicContact CB-CD1 3.76Å; L39-Y68 HydrophobicContact CB-CD2 4.42Å; L39-Y68 HydrophobicContact CB-CE1 4.07Å; L39-Y68 HydrophobicContact CB-CG 3.94Å; L39-Y68 HydrophobicContact CD1-CD2 4.19Å; L39-Y68 HydrophobicContact CD1-CE2 4.19Å; L39-Y68 HydrophobicContact CD2-CD2 4.45Å; L39-Y68 HydrophobicContact CD2-CG 4.29Å; L39-Y68 HydrophobicContact CG-CG 4.49Å; L39-V70 HydrophobicContact CD2-CB 4.49Å; L39-V70 HydrophobicContact CD2-CG1 4.33Å; L39-V70 HydrophobicContact CD2-CG2 3.93Å; L39-L112 HydrophobicContact CD1-CD1 3.86Å; L39-L112 HydrophobicContact CD2-CD1 3.83Å
40	F	94.9	Very high	95.3	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.7	-171.9	-71.8	-104	0	0	0	112.5	T43 S44 L45 Y68 W69 R71 L77	F40-T43 WeakPolarHBondContact CD1-O 3.35Å; F40-S44 VanDerWaalsContact CA-O 3.3Å; F40-S44 WeakPolarHBondContact CA-O 3.3Å; F40-L45 HydrophobicContact CD1-CB 4.19Å; F40-L45 HydrophobicContact CD2-CD1 4.17Å; F40-L45 HydrophobicContact CE1-CB 3.71Å; F40-L45 HydrophobicContact CE1-CD1 4.35Å; F40-L45 HydrophobicContact CE2-CD1 3.65Å; F40-L45 HydrophobicContact CZ-CB 3.89Å; F40-L45 HydrophobicContact CZ-CD1 3.75Å; F40-L45 HydrophobicContact CZ-CG 4.34Å; F40-Y68 WeakPolarHBondContact O-CA 3.47Å; F40-W69 HydrophobicContact CB-CB 4.12Å; F40-W69 PolarHBondContact N-O 3.08Å; F40-W69 PolarHBondContact O-N 2.94Å; F40-R71 HydrophobicContact CD2-CB 4.24Å; F40-R71 HydrophobicContact CD2-CG 3.99Å; F40-R71 HydrophobicContact CE2-CB 4.11Å; F40-R71 HydrophobicContact CE2-CG 4.14Å; F40-L77 HydrophobicContact CZ-CD1 4.22Å; F40-L77 HydrophobicContact CZ-CD2 3.88Å
41	E	92.3	Very high	95.5	Very high	61 Å²	61	31.2 Å²	31.2	29%	0.285	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.1	163.9	-74.3	-177.1	161.6	0	0	108.6	T43 S44 R46 G65 Y68	E41-T43 PolarHBondContact O-N 2.88Å; E41-S44 PolarHBondContact N-O 3.01Å; E41-S44 PolarHBondContact O-N 2.93Å; E41-R46 HydrophobicContact CB-CG 4.08Å; E41-R46 HydrophobicContact CG-CG 3.89Å; E41-R46 IonicContact OE2-CZ 3.77Å; E41-R46 IonicContact OE2-NE 2.65Å; E41-R46 PolarHBondContact OE2-NE 3.28Å; E41-R46 IonicContact OE2-NH2 3.34Å; E41-R46 PolarHBondContact OE2-NH2 2.74Å; E41-G65 WeakPolarHBondContact OE1-CA 3.5Å; E41-Y68 HydrophobicContact CG-CD1 4.17Å; E41-Y68 HydrophobicContact CG-CE1 4.13Å
42	G	90.1	Very high	95.8	Very high	54 Å²	54	29.5 Å²	29.5	56%	0.557	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-121.5	-164.9	0	0	0	0	0	110
43	T	89	Confident	95.9	Very high	134 Å²	134	30 Å²	30	82%	0.822	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.1	174.9	51.7	0	0	0	0	113.8	F40 E41	F40-T43 WeakPolarHBondContact CD1-O 3.35Å; E41-T43 PolarHBondContact O-N 2.88Å
44	S	90.5	Very high	95.9	Very high	58 Å²	58	33.3 Å²	33.3	41%	0.406	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.6	-175.1	-62.6	0	0	0	0	111.5	F40 E41 R46	F40-S44 VanDerWaalsContact CA-O 3.3Å; F40-S44 WeakPolarHBondContact CA-O 3.3Å; E41-S44 PolarHBondContact N-O 3.01Å; E41-S44 PolarHBondContact O-N 2.93Å; S44-R46 PolarHBondContact O-N 3.28Å
45	L	92	Very high	95.9	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.2	166.1	-179.9	65.9	0	0	0	109.1	F40 C47 L77 W145	F40-L45 HydrophobicContact CD1-CB 4.19Å; F40-L45 HydrophobicContact CD2-CD1 4.17Å; F40-L45 HydrophobicContact CE1-CB 3.71Å; F40-L45 HydrophobicContact CE1-CD1 4.35Å; F40-L45 HydrophobicContact CE2-CD1 3.65Å; F40-L45 HydrophobicContact CZ-CB 3.89Å; F40-L45 HydrophobicContact CZ-CD1 3.75Å; F40-L45 HydrophobicContact CZ-CG 4.34Å; L45-C47 WeakPolarHBondContact CD1-O 3.43Å; L45-L77 HydrophobicContact CD2-CD1 4.29Å; L45-W145 HydrophobicContact CD2-CB 3.75Å
46	R	92.8	Very high	95.9	Very high	120 Å²	120	36 Å²	36	45%	0.453	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-46.9	177.7	-62	-52.5	-154.3	-172.9	5.4	112.5	L39 E41 S44 Y68	L39-R46 PolarHBondContact O-N 3.43Å; E41-R46 HydrophobicContact CB-CG 4.08Å; E41-R46 HydrophobicContact CG-CG 3.89Å; E41-R46 IonicContact OE2-CZ 3.77Å; E41-R46 IonicContact OE2-NE 2.65Å; E41-R46 PolarHBondContact OE2-NE 3.28Å; E41-R46 IonicContact OE2-NH2 3.34Å; E41-R46 PolarHBondContact OE2-NH2 2.74Å; S44-R46 PolarHBondContact O-N 3.28Å; R46-Y68 HydrophobicContact CB-CE1 3.98Å; R46-Y68 HydrophobicContact CG-CE1 4.13Å
47	C	95.9	Very high	95.9	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.4	-174.5	-78.4	0	0	0	0	110.5	L39 L45 C63 G198 S200	L39-C47 HydrophobicContact CB-CB 4.4Å; L39-C47 WeakPolarHBondContact CB-O 3.47Å; L39-C47 HydrophobicContact CD1-CB 4.24Å; L39-C47 PolarHBondContact N-O 3.49Å; L45-C47 WeakPolarHBondContact CD1-O 3.43Å; C47-C63 HydrophobicContact CB-CB 3.84Å; C47-C63 WeakPolarHBondContact CB-SG 3.41Å; C47-C63 WeakPolarHBondContact SG-CB 3.33Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 2.77Å; C47-G198 CarbonylContact C-O 3.45Å; C47-S200 VanDerWaalsContact CB-O 3.27Å; C47-S200 WeakPolarHBondContact CB-O 3.43Å
48	G	96.9	Very high	95.9	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	177.2	160	0	0	0	0	0	112.8	V37 L39 T59 G198 S200	V37-G48 CarbonylContact O-C 3.59Å; V37-G48 WeakPolarHBondContact O-CA 3.33Å; L39-G48 WeakPolarHBondContact CD1-O 3.47Å; G48-T59 PolarHBondContact O-OG1 2.77Å; G48-G198 PolarHBondContact N-O 3.06Å; G48-S200 WeakPolarHBondContact CA-O 3.34Å; G48-S200 PolarHBondContact N-O 3.43Å
49	G	98.3	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	175.1	170.2	0	0	0	0	0	110.6	V37 L58 G201	V37-G49 WeakPolarHBondContact CB-O 3.42Å; V37-G49 PolarHBondContact N-O 2.91Å; V37-G49 PolarHBondContact O-N 2.95Å; G49-L58 CarbonylContact C-O 3.35Å; G49-L58 WeakPolarHBondContact CA-O 3.46Å; G49-G201 VanDerWaalsContact CA-O 3.24Å; G49-G201 WeakPolarHBondContact CA-O 3.43Å
50	V	98.9	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.4	179.1	-165.1	0	0	0	0	109.7	W35 I52 V57 L58 L127 P203 L210 L213	W35-V50 HydrophobicContact CB-CG1 4.12Å; W35-V50 HydrophobicContact CG-CG1 4.43Å; W35-V50 WeakPolarHBondContact O-CA 3.29Å; V50-I52 HydrophobicContact CG1-CG2 4.31Å; V50-I52 PolarHBondContact O-N 2.93Å; V50-V57 CarbonylContact O-C 3.55Å; V50-V57 VanDerWaalsContact O-CA 3.25Å; V50-V57 WeakPolarHBondContact O-CA 3.25Å; V50-L58 PolarHBondContact N-O 3.14Å; V50-L58 PolarHBondContact O-N 3.35Å; V50-L127 HydrophobicContact CG1-CB 4.04Å; V50-L127 HydrophobicContact CG1-CD2 3.96Å; V50-P203 HydrophobicContact CG1-CB 4.27Å; V50-P203 HydrophobicContact CG2-CB 3.6Å; V50-P203 HydrophobicContact CG2-CG 4.25Å; V50-L210 HydrophobicContact CB-CD1 4.47Å; V50-L210 HydrophobicContact CB-CD2 4.19Å; V50-L210 HydrophobicContact CG1-CD1 4.16Å; V50-L210 HydrophobicContact CG1-CD2 4.05Å; V50-L210 HydrophobicContact CG2-CD1 3.96Å; V50-L210 HydrophobicContact CG2-CD2 4.38Å; V50-L213 HydrophobicContact CG2-CD2 3.64Å
51	L	98.9	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	122.1	169	-175.5	72.5	0	0	0	109.1	W35 V37 D53 V57 L72 V118 V124 P126 L127	W35-L51 PolarHBondContact O-N 3.09Å; V37-L51 HydrophobicContact CG2-CB 4.27Å; L51-D53 WeakPolarHBondContact CD1-O 3.39Å; L51-V57 HydrophobicContact CD1-CG2 4.11Å; L51-L72 HydrophobicContact CB-CD2 3.98Å; L51-L72 HydrophobicContact CD1-CD2 3.81Å; L51-L72 HydrophobicContact CD2-CD2 3.92Å; L51-L72 HydrophobicContact CG-CD2 4.13Å; L51-V118 HydrophobicContact CD1-CG1 4.48Å; L51-V118 HydrophobicContact CD1-CG2 4.04Å; L51-V118 HydrophobicContact CD2-CG2 3.81Å; L51-V124 HydrophobicContact CD2-CG1 3.82Å; L51-P126 HydrophobicContact CD2-CG 4.23Å; L51-P126 HydrophobicContact CG-CG 4.36Å; L51-P126 CarbonylContact O-C 3.57Å; L51-P126 WeakPolarHBondContact O-CA 3.03Å; L51-L127 PolarHBondContact O-N 3.19Å
52	I	98.7	Very high	96.3	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.077	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-9.7	178.4	60.6	157.3	0	0	0	113.7	V50 W56 L58 L111 L129 L210 I241 M245	V50-I52 HydrophobicContact CG1-CG2 4.31Å; V50-I52 PolarHBondContact O-N 2.93Å; I52-W56 HydrophobicContact CD1-CB 4.39Å; I52-W56 HydrophobicContact CG1-CB 3.95Å; I52-W56 WeakPolarHBondContact CG1-O 3.27Å; I52-W56 PolarHBondContact N-O 2.84Å; I52-L58 HydrophobicContact CD1-CD1 3.86Å; I52-L58 HydrophobicContact CD1-CG 3.85Å; I52-L58 HydrophobicContact CG1-CG 4.39Å; I52-L58 HydrophobicContact CG2-CD1 3.97Å; I52-L58 HydrophobicContact CG2-CG 4.43Å; I52-L111 HydrophobicContact CD1-CD2 3.87Å; I52-L129 HydrophobicContact CD1-CD2 4.39Å; I52-L129 HydrophobicContact CG2-CD2 4.2Å; I52-L210 HydrophobicContact CG2-CD2 3.9Å; I52-I241 HydrophobicContact CD1-CG2 3.63Å; I52-M245 HydrophobicContact CD1-CE 4.35Å; I52-M245 HydrophobicContact CD1-SD 3.54Å; I52-M245 VanDerWaalsContact CD1-SD 3.54Å; I52-M245 HydrophobicContact CG1-SD 4.44Å
53	D	98.5	Very high	96.6	Very high	60 Å²	60	32.5 Å²	32.5	32%	0.321	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	166.7	166.8	-156.4	-37.7	0	0	0	108.7	L51 R55 W56 M245	L51-D53 WeakPolarHBondContact CD1-O 3.39Å; D53-R55 PolarHBondContact O-N 3Å; D53-W56 HydrophobicContact CB-CB 3.97Å; D53-W56 HydrophobicContact CB-CG 4.43Å; D53-W56 PolarHBondContact N-O 2.88Å; D53-W56 PolarHBondContact O-N 2.94Å; D53-M245 HydrophobicContact CB-CE 3.66Å; D53-M245 WeakPolarHBondContact OD2-CE 3.47Å
54	H	98.1	Very high	96.5	Very high	91 Å²	91	30.7 Å²	30.7	42%	0.421	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-26.7	177.4	-57.8	80.5	0	0	0	114.9	P117 V118	H54-P117 HydrophobicContact CB-CB 4.31Å; H54-P117 CarbonylContact O-C 3.55Å; H54-P117 WeakPolarHBondContact O-CA 3.38Å; H54-V118 PolarHBondContact O-N 2.94Å
55	R	98.1	Very high	96.2	Very high	93 Å²	93	28.3 Å²	28.3	35%	0.351	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	2.2	177.6	-69.5	179.6	178.6	-104.7	11.8	114	D53 R113 L114 R115 P117	D53-R55 PolarHBondContact O-N 3Å; R55-R113 HydrophobicContact CB-CG 4.38Å; R55-R113 CarbonylContact O-C 3.55Å; R55-R113 VanDerWaalsContact O-CA 3.26Å; R55-R113 WeakPolarHBondContact O-CA 3.27Å; R55-L114 PolarHBondContact O-N 2.92Å; R55-R115 PolarHBondContact NH1-O 3.39Å; R55-P117 HydrophobicContact CG-CB 3.83Å
56	W	98.6	Very high	95.6	Very high	11 Å²	11	31.2 Å²	31.2	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.7	-170.3	-71.4	109.9	0	0	0	111.9	I52 D53 F91 L111 R113 I244 M245 N248	I52-W56 HydrophobicContact CD1-CB 4.39Å; I52-W56 HydrophobicContact CG1-CB 3.95Å; I52-W56 WeakPolarHBondContact CG1-O 3.27Å; I52-W56 PolarHBondContact N-O 2.84Å; D53-W56 HydrophobicContact CB-CB 3.97Å; D53-W56 HydrophobicContact CB-CG 4.43Å; D53-W56 PolarHBondContact N-O 2.88Å; D53-W56 PolarHBondContact O-N 2.94Å; W56-F91 HydrophobicContact CH2-CD1 4.04Å; W56-F91 HydrophobicContact CH2-CE1 4.17Å; W56-F91 HydrophobicContact CZ3-CD1 4.44Å; W56-L111 HydrophobicContact CE3-CB 4.14Å; W56-L111 HydrophobicContact CE3-CD2 4.09Å; W56-L111 HydrophobicContact CZ3-CB 3.96Å; W56-R113 HydrophobicContact CD2-CB 4.29Å; W56-R113 HydrophobicContact CD2-CG 4.15Å; W56-R113 HydrophobicContact CE3-CB 3.86Å; W56-R113 HydrophobicContact CE3-CG 4.24Å; W56-R113 HydrophobicContact CH2-CB 3.77Å; W56-R113 HydrophobicContact CH2-CG 4.01Å; W56-R113 HydrophobicContact CZ2-CB 4.17Å; W56-R113 HydrophobicContact CZ2-CG 3.88Å; W56-R113 HydrophobicContact CZ3-CB 3.6Å; W56-R113 HydrophobicContact CZ3-CG 4.18Å; W56-I244 HydrophobicContact CH2-CG2 4.03Å; W56-I244 HydrophobicContact CZ3-CG2 4.25Å; W56-M245 HydrophobicContact CB-CE 4.27Å; W56-M245 HydrophobicContact CB-CG 4.38Å; W56-M245 HydrophobicContact CD2-CG 3.86Å; W56-M245 HydrophobicContact CE3-CG 4.48Å; W56-M245 HydrophobicContact CG-CE 4.19Å; W56-M245 HydrophobicContact CG-CG 3.8Å; W56-M245 HydrophobicContact CG-SD 4.48Å; W56-N248 HydrophobicContact CH2-CB 3.99Å; W56-N248 HydrophobicContact CZ2-CB 4.05Å; W56-N248 WeakPolarHBondContact CZ2-OXT 3.33Å
57	V	98.7	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.5	175.4	171.9	0	0	0	0	108.7	V37 V50 L51 V70 L112 L114	V37-V57 HydrophobicContact CB-CG1 4.28Å; V37-V57 HydrophobicContact CG1-CG1 4.13Å; V37-V57 HydrophobicContact CG2-CG1 4.02Å; V37-V57 HydrophobicContact CG2-CG2 4.02Å; V50-V57 CarbonylContact O-C 3.55Å; V50-V57 VanDerWaalsContact O-CA 3.25Å; V50-V57 WeakPolarHBondContact O-CA 3.25Å; L51-V57 HydrophobicContact CD1-CG2 4.11Å; V57-V70 HydrophobicContact CG2-CG1 4.19Å; V57-L112 HydrophobicContact CB-CB 4.29Å; V57-L112 PolarHBondContact N-O 2.75Å; V57-L112 PolarHBondContact O-N 2.85Å; V57-L114 HydrophobicContact CG2-CD1 4.22Å; V57-L114 HydrophobicContact CG2-CD2 4.09Å; V57-L114 HydrophobicContact CG2-CG 4.34Å
58	L	98.7	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	148.5	165	-82.5	170	0	0	0	110.7	G49 V50 I52 L109 L111 L129 L210 L213 I234 I241	G49-L58 CarbonylContact C-O 3.35Å; G49-L58 WeakPolarHBondContact CA-O 3.46Å; V50-L58 PolarHBondContact N-O 3.14Å; V50-L58 PolarHBondContact O-N 3.35Å; I52-L58 HydrophobicContact CD1-CD1 3.86Å; I52-L58 HydrophobicContact CD1-CG 3.85Å; I52-L58 HydrophobicContact CG1-CG 4.39Å; I52-L58 HydrophobicContact CG2-CD1 3.97Å; I52-L58 HydrophobicContact CG2-CG 4.43Å; L58-L109 HydrophobicContact CD2-CD1 4.46Å; L58-L111 HydrophobicContact CD2-CD2 3.47Å; L58-L111 VanDerWaalsContact CD2-CD2 3.47Å; L58-L111 HydrophobicContact CD2-CG 3.72Å; L58-L111 HydrophobicContact CG-CD2 3.76Å; L58-L129 HydrophobicContact CD1-CD2 4.17Å; L58-L210 HydrophobicContact CD1-CD2 3.67Å; L58-L213 HydrophobicContact CB-CD1 4.16Å; L58-L213 HydrophobicContact CB-CD2 4.14Å; L58-I234 HydrophobicContact CD1-CD1 4.32Å; L58-I241 HydrophobicContact CD1-CD1 3.89Å; L58-I241 HydrophobicContact CD2-CD1 4.38Å; L58-I241 HydrophobicContact CD2-CG1 4.3Å
59	T	98.3	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	177.1	170.1	-172	0	0	0	0	108.8	L39 G48 C63 L109 R110 L112	L39-T59 HydrophobicContact CD1-CG2 3.78Å; L39-T59 WeakPolarHBondContact CD1-OG1 3.43Å; G48-T59 PolarHBondContact O-OG1 2.77Å; T59-C63 HydrophobicContact CG2-CB 4.46Å; T59-L109 WeakPolarHBondContact O-CA 3.27Å; T59-R110 HydrophobicContact CG2-CB 4.16Å; T59-R110 HydrophobicContact CG2-CG 4.29Å; T59-R110 PolarHBondContact N-O 2.88Å; T59-R110 PolarHBondContact O-N 3.37Å; T59-L112 HydrophobicContact CG2-CD1 4.04Å; T59-L112 HydrophobicContact CG2-CG 4.19Å
60	A	98.3	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.			trans	-73.1	151.5	177.6	0	0	0	0	0	111.5	H62 C63 D108 G201	A60-H62 VanDerWaalsContact C-N 3.33Å; A60-H62 WeakPolarHBondContact CB-ND1 3.46Å; A60-C63 WeakPolarHBondContact O-CB 3.38Å; A60-C63 PolarHBondContact O-N 2.9Å; A60-D108 VanDerWaalsContact CA-O 3.27Å; A60-D108 WeakPolarHBondContact CA-O 3.44Å; A60-G201 VanDerWaalsContact N-CA 3.28Å
61	A	97.9	Very high	95.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.3	177.9	0	0	0	0	0	112.6	C63 T94 Y98 D108	A61-C63 PolarHBondContact O-N 3.42Å; A61-T94 HydrophobicContact CB-CG2 3.55Å; A61-Y98 HydrophobicContact CB-CD1 3.46Å; A61-Y98 VanDerWaalsContact CB-CD1 3.46Å; A61-Y98 HydrophobicContact CB-CD2 3.69Å; A61-Y98 HydrophobicContact CB-CE1 3.67Å; A61-Y98 HydrophobicContact CB-CE2 3.93Å; A61-Y98 HydrophobicContact CB-CG 3.45Å; A61-Y98 VanDerWaalsContact CB-CG 3.45Å; A61-D108 WeakPolarHBondContact CA-OD1 3.43Å; A61-D108 WeakPolarHBondContact CB-OD1 3.3Å; A61-D108 VanDerWaalsContact N-C 3.33Å; A61-D108 PolarHBondContact N-O 3.36Å; A61-D108 PolarHBondContact N-OD1 3.43Å
62	H	96	Very high	95.3	Very high	46 Å²	46	40.7 Å²	40.7	21%	0.213	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.8	176.3	77	-102.2	0	0	0	113.5	A60 S64 Y98 D108 S200 S215	A60-H62 VanDerWaalsContact C-N 3.33Å; A60-H62 WeakPolarHBondContact CB-ND1 3.46Å; H62-S64 PolarHBondContact O-N 2.78Å; H62-Y98 WeakPolarHBondContact CA-OH 3.18Å; H62-Y98 VanDerWaalsContact CB-OH 3.28Å; H62-Y98 WeakPolarHBondContact CB-OH 3.33Å; H62-D108 IonicContact CE1-OD2 3.45Å; H62-D108 IonicContact CG-OD1 3.21Å; H62-D108 IonicContact CG-OD2 2.72Å; H62-D108 PolarHBondContact N-OD1 3.26Å; H62-D108 IonicContact ND1-OD1 3.32Å; H62-D108 PolarHBondContact ND1-OD1 2.96Å; H62-D108 IonicContact ND1-OD2 3.41Å; H62-D108 PolarHBondContact ND1-OD2 3.08Å; H62-S200 PolarHBondContact CE1-OG 2.69Å; H62-S200 WeakPolarHBondContact NE2-CB 3.44Å; H62-S200 PolarHBondContact NE2-OG 3.05Å; H62-S215 PolarHBondContact CE1-O 2.94Å
63	C	95.3	Very high	95.2	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.027	20%	0.197	C	C	.	.			trans	-71.1	75	167.5	-60.7	0	0	0	0	109.7	C47 T59 A60 A61 G65 Y68 R110	C47-C63 HydrophobicContact CB-CB 3.84Å; C47-C63 WeakPolarHBondContact CB-SG 3.41Å; C47-C63 WeakPolarHBondContact SG-CB 3.33Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 2.77Å; T59-C63 HydrophobicContact CG2-CB 4.46Å; A60-C63 WeakPolarHBondContact O-CB 3.38Å; A60-C63 PolarHBondContact O-N 2.9Å; A61-C63 PolarHBondContact O-N 3.42Å; C63-G65 VanDerWaalsContact C-N 3.31Å; C63-G65 PolarHBondContact O-N 3.34Å; C63-Y68 PolarHBondContact O-OH 2.98Å; C63-Y68 VanDerWaalsContact O-OH 3.08Å; C63-R110 PolarHBondContact O-NH1 2.86Å
64	S	86.7	Confident	95.1	Very high	95 Å²	95	38 Å²	38	66%	0.664	19%	0.185	S	C	*	.			trans	-76.7	-8.6	-160.3	59.4	0	0	0	0	115.5	H62 R110	H62-S64 PolarHBondContact O-N 2.78Å; S64-R110 PolarHBondContact O-NH1 2.95Å
65	G	84.2	Confident	95	Very high	9 Å²	9	33.8 Å²	33.8	9%	0.093	17%	0.165	C	C	.	.			trans	-54.1	144.7	-179.3	0	0	0	0	0	113.5	E41 C63 Y68 R110	E41-G65 WeakPolarHBondContact OE1-CA 3.5Å; C63-G65 VanDerWaalsContact C-N 3.31Å; C63-G65 PolarHBondContact O-N 3.34Å; G65-Y68 WeakPolarHBondContact CA-OH 3.47Å; G65-Y68 PolarHBondContact N-OH 2.83Å; G65-Y68 WeakPolarHBondContact O-CE2 3.39Å; G65-R110 PolarHBondContact O-NH1 2.85Å; G65-R110 VanDerWaalsContact O-NH1 3.16Å
66	S	79.1	Confident	94.8	Very high	101 Å²	101	29.3 Å²	29.3	71%	0.706	15%	0.149	S	C	*	.	S	Bend	trans	-93.1	-26.7	-172.5	62.4	0	0	0	0	113.9
67	R	89	Confident	94.5	Very high	149 Å²	149	30.3 Å²	30.3	56%	0.562	16%	0.155	S	C	*	.	S	Bend	trans	-143.3	103.3	-176.2	-65.9	-178.7	64.8	170.7	-0.5	109.7	H88	R67-H88 PolarHBondContact NE-CE1 3.41Å; R67-H88 VanDerWaalsContact NE-CE1 3.28Å; R67-H88 PolarHBondContact NE-NE2 2.92Å; R67-H88 PolarHBondContact NH2-NE2 2.97Å
68	Y	96.3	Very high	94.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.016	19%	0.185	C	C	.	.			trans	-98.8	138.8	177.2	-66.8	-65.5	0	0	0	111.6	L39 F40 E41 R46 C63 G65 H88 S89 L112	L39-Y68 HydrophobicContact CB-CD1 3.76Å; L39-Y68 HydrophobicContact CB-CD2 4.42Å; L39-Y68 HydrophobicContact CB-CE1 4.07Å; L39-Y68 HydrophobicContact CB-CG 3.94Å; L39-Y68 HydrophobicContact CD1-CD2 4.19Å; L39-Y68 HydrophobicContact CD1-CE2 4.19Å; L39-Y68 HydrophobicContact CD2-CD2 4.45Å; L39-Y68 HydrophobicContact CD2-CG 4.29Å; L39-Y68 HydrophobicContact CG-CG 4.49Å; F40-Y68 WeakPolarHBondContact O-CA 3.47Å; E41-Y68 HydrophobicContact CG-CD1 4.17Å; E41-Y68 HydrophobicContact CG-CE1 4.13Å; R46-Y68 HydrophobicContact CB-CE1 3.98Å; R46-Y68 HydrophobicContact CG-CE1 4.13Å; C63-Y68 PolarHBondContact O-OH 2.98Å; C63-Y68 VanDerWaalsContact O-OH 3.08Å; G65-Y68 WeakPolarHBondContact CA-OH 3.47Å; G65-Y68 PolarHBondContact N-OH 2.83Å; G65-Y68 WeakPolarHBondContact O-CE2 3.39Å; Y68-H88 WeakPolarHBondContact O-CA 3.2Å; Y68-S89 PolarHBondContact N-OG 3.12Å; Y68-S89 PolarHBondContact O-N 3.09Å; Y68-L112 HydrophobicContact CD2-CD1 3.82Å; Y68-L112 HydrophobicContact CE2-CD1 4.39Å
69	W	97.1	Very high	93.9	Very high	125 Å²	125	40.5 Å²	40.5	47%	0.473	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.1	149	-65.1	113.8	0	0	0	107.6	F40 I86 H88	F40-W69 HydrophobicContact CB-CB 4.12Å; F40-W69 PolarHBondContact N-O 3.08Å; F40-W69 PolarHBondContact O-N 2.94Å; W69-I86 HydrophobicContact CE3-CG2 3.81Å; W69-I86 HydrophobicContact CZ3-CG2 4.42Å; W69-H88 HydrophobicContact CE3-CB 4.41Å; W69-H88 HydrophobicContact CZ3-CB 4.29Å
70	V	97.7	Very high	93.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.6	-178.7	-176.7	0	0	0	0	106.3	V37 L39 V57 L72 I86 R87 L114	V37-V70 HydrophobicContact CG1-CG1 3.44Å; V37-V70 VanDerWaalsContact CG1-CG1 3.44Å; L39-V70 HydrophobicContact CD2-CB 4.49Å; L39-V70 HydrophobicContact CD2-CG1 4.33Å; L39-V70 HydrophobicContact CD2-CG2 3.93Å; V57-V70 HydrophobicContact CG2-CG1 4.19Å; V70-L72 HydrophobicContact CG1-CD1 3.74Å; V70-L72 HydrophobicContact CG1-CG 4.26Å; V70-I86 CarbonylContact O-C 3.51Å; V70-I86 WeakPolarHBondContact O-CA 3.18Å; V70-R87 HydrophobicContact CB-CB 4.34Å; V70-R87 PolarHBondContact N-O 3.32Å; V70-R87 PolarHBondContact O-N 2.82Å; V70-L114 HydrophobicContact CB-CD2 3.96Å; V70-L114 HydrophobicContact CG1-CD2 3.83Å; V70-L114 HydrophobicContact CG2-CD2 3.69Å
71	R	97.7	Very high	93.1	Very high	50 Å²	50	47.5 Å²	47.5	19%	0.189	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.2	175.8	-71.4	177.9	70.3	-177.4	3.4	108.9	V37 G38 F40 E74 L77 I86	V37-R71 WeakPolarHBondContact CA-O 3.26Å; G38-R71 PolarHBondContact N-O 3.32Å; G38-R71 PolarHBondContact O-N 2.72Å; F40-R71 HydrophobicContact CD2-CB 4.24Å; F40-R71 HydrophobicContact CD2-CG 3.99Å; F40-R71 HydrophobicContact CE2-CB 4.11Å; F40-R71 HydrophobicContact CE2-CG 4.14Å; R71-E74 HydrophobicContact CB-CG 3.72Å; R71-E74 WeakPolarHBondContact CB-OE1 3.27Å; R71-E74 IonicContact CZ-OE1 3.88Å; R71-E74 IonicContact CZ-OE2 2.77Å; R71-E74 IonicContact NE-OE1 2.76Å; R71-E74 PolarHBondContact NE-OE1 2.99Å; R71-E74 IonicContact NE-OE2 3.51Å; R71-E74 PolarHBondContact NE-OE2 2.84Å; R71-E74 VanDerWaalsContact NH2-CD 3.26Å; R71-E74 IonicContact NH2-OE1 3.59Å; R71-E74 PolarHBondContact NH2-OE1 2.77Å; R71-E74 IonicContact NH2-OE2 2.75Å; R71-E74 PolarHBondContact NH2-OE2 3.31Å; R71-L77 PolarHBondContact NH1-O 3.31Å; R71-L77 VanDerWaalsContact NH1-O 3.12Å; R71-L77 PolarHBondContact NH2-O 2.82Å; R71-I86 HydrophobicContact CG-CG1 4.32Å
72	L	98.3	Very high	92.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.2	179.5	-53.8	102.1	0	0	0	109.7	V37 L51 V70 E74 E84 Q85 R87 V118 V124	V37-L72 HydrophobicContact CG2-CD2 3.69Å; V37-L72 HydrophobicContact CG2-CG 4.03Å; L51-L72 HydrophobicContact CB-CD2 3.98Å; L51-L72 HydrophobicContact CD1-CD2 3.81Å; L51-L72 HydrophobicContact CD2-CD2 3.92Å; L51-L72 HydrophobicContact CG-CD2 4.13Å; V70-L72 HydrophobicContact CG1-CD1 3.74Å; V70-L72 HydrophobicContact CG1-CG 4.26Å; L72-E74 PolarHBondContact O-N 2.85Å; L72-E84 CarbonylContact O-C 3.46Å; L72-E84 VanDerWaalsContact O-CA 3.29Å; L72-E84 WeakPolarHBondContact O-CA 3.06Å; L72-Q85 WeakPolarHBondContact CD1-O 3.29Å; L72-Q85 PolarHBondContact N-O 3.19Å; L72-Q85 PolarHBondContact O-N 2.67Å; L72-R87 HydrophobicContact CD1-CG 4.49Å; L72-V118 HydrophobicContact CD1-CG1 3.8Å; L72-V118 HydrophobicContact CD2-CG1 4.06Å; L72-V124 HydrophobicContact CB-CG1 4.18Å; L72-V124 HydrophobicContact CB-CG2 4.09Å; L72-V124 HydrophobicContact CD2-CG1 4.22Å
73	G	97.6	Very high	92.8	Very high	5 Å²	5	57.4 Å²	57.4	5%	0.052	29%	0.288	C	S	.	.	S	Bend	trans	71	16.8	-176.9	0	0	0	0	0	113.1	T83 S123	G73-T83 PolarHBondContact O-OG1 3.34Å; G73-S123 WeakPolarHBondContact CA-O 3.09Å
74	E	95.5	Very high	92.9	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.065	29%	0.294	C	S	.	.			trans	-78.8	132.4	176.3	-58.2	-72.9	165.6	0	0	109.6	R71 L72 L77 E84 W145	R71-E74 HydrophobicContact CB-CG 3.72Å; R71-E74 WeakPolarHBondContact CB-OE1 3.27Å; R71-E74 IonicContact CZ-OE1 3.88Å; R71-E74 IonicContact CZ-OE2 2.77Å; R71-E74 IonicContact NE-OE1 2.76Å; R71-E74 PolarHBondContact NE-OE1 2.99Å; R71-E74 IonicContact NE-OE2 3.51Å; R71-E74 PolarHBondContact NE-OE2 2.84Å; R71-E74 VanDerWaalsContact NH2-CD 3.26Å; R71-E74 IonicContact NH2-OE1 3.59Å; R71-E74 PolarHBondContact NH2-OE1 2.77Å; R71-E74 IonicContact NH2-OE2 2.75Å; R71-E74 PolarHBondContact NH2-OE2 3.31Å; L72-E74 PolarHBondContact O-N 2.85Å; E74-L77 HydrophobicContact CB-CD2 4.46Å; E74-E84 VanDerWaalsContact CD-CG 3.48Å; E74-E84 HydrophobicContact CG-CG 4.43Å; E74-E84 WeakPolarHBondContact OE1-CG 3.09Å; E74-W145 HydrophobicContact CB-CH2 3.81Å; E74-W145 HydrophobicContact CB-CZ2 3.57Å; E74-W145 WeakPolarHBondContact O-CZ2 3.39Å
75	H	95	Very high	93.5	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	27%	0.267	C	S	.	.	S	Bend	trans	-106.3	-44.7	160.9	-172.2	68.1	0	0	0	111.2	E27 C28 R30 L158 L159	E27-H75 IonicContact OE1-CD2 3.78Å; E27-H75 IonicContact OE1-CE1 3.82Å; E27-H75 IonicContact OE1-NE2 3.23Å; E27-H75 PolarHBondContact OE1-NE2 2.92Å; C28-H75 PolarHBondContact O-CE1 2.82Å; R30-H75 HydrophobicContact CG-CB 4.08Å; H75-L158 CarbonylContact O-C 3.57Å; H75-L158 WeakPolarHBondContact O-CA 3.45Å; H75-L159 PolarHBondContact O-N 3Å
76	S	94.3	Very high	94.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-111.3	132	174.2	168.8	0	0	0	0	109.5	S78 Q79 D157	S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 2.82Å; S76-S78 PolarHBondContact OG-N 2.77Å; S76-Q79 WeakPolarHBondContact OG-CB 3.41Å; S76-Q79 WeakPolarHBondContact OG-CG 3.47Å; S76-Q79 PolarHBondContact OG-N 2.89Å; S76-D157 CarbonylContact C-O 3.51Å; S76-D157 VanDerWaalsContact CA-O 3.32Å; S76-D157 WeakPolarHBondContact CA-O 2.98Å; S76-D157 WeakPolarHBondContact CB-OD2 3.36Å; S76-D157 PolarHBondContact OG-OD1 3.41Å; S76-D157 PolarHBondContact OG-OD2 2.9Å
77	L	92.3	Very high	95	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.168	26%	0.261	C	S	.	.	S	Bend	trans	-72.5	-19.8	177.9	-65.6	-172.9	0	0	0	113.5	F40 L45 R71 E74 W145 D157	F40-L77 HydrophobicContact CZ-CD1 4.22Å; F40-L77 HydrophobicContact CZ-CD2 3.88Å; L45-L77 HydrophobicContact CD2-CD1 4.29Å; R71-L77 PolarHBondContact NH1-O 3.31Å; R71-L77 VanDerWaalsContact NH1-O 3.12Å; R71-L77 PolarHBondContact NH2-O 2.82Å; E74-L77 HydrophobicContact CB-CD2 4.46Å; L77-W145 HydrophobicContact CD1-CB 3.82Å; L77-W145 HydrophobicContact CD1-CD2 4.26Å; L77-W145 HydrophobicContact CD1-CG 3.72Å; L77-W145 HydrophobicContact CD2-CD2 3.85Å; L77-W145 HydrophobicContact CD2-CE3 4.39Å; L77-W145 HydrophobicContact CD2-CG 4.13Å; L77-W145 HydrophobicContact CD2-CZ2 4.01Å; L77-W145 HydrophobicContact CG-CD2 4.19Å; L77-W145 HydrophobicContact CG-CG 3.93Å; L77-D157 PolarHBondContact N-O 2.68Å; L77-D157 PolarHBondContact N-OD1 3.19Å
78	S	91.6	Very high	95.3	Very high	92 Å²	92	51 Å²	51	64%	0.643	24%	0.24	S	C	*	.	S	Bend	trans	-109.7	-20.3	-179.3	67.3	0	0	0	0	115.6	S76 D157	S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 2.82Å; S76-S78 PolarHBondContact OG-N 2.77Å; S78-D157 WeakPolarHBondContact CB-OD1 3.39Å; S78-D157 PolarHBondContact N-OD1 2.95Å; S78-D157 VanDerWaalsContact OG-CG 3.25Å; S78-D157 PolarHBondContact OG-OD1 3.16Å; S78-D157 PolarHBondContact OG-OD2 2.84Å
79	Q	92.7	Very high	95.2	Very high	122 Å²	122	51 Å²	51	57%	0.57	24%	0.241	S	C	*	.	S	Bend	trans	-108.5	120	179.8	-55.4	-179.4	15.2	0	0	111.4	S76	S76-Q79 WeakPolarHBondContact OG-CB 3.41Å; S76-Q79 WeakPolarHBondContact OG-CG 3.47Å; S76-Q79 PolarHBondContact OG-N 2.89Å
80	L	89.9	Confident	94.9	Very high	108 Å²	108	47 Å²	47	57%	0.565	24%	0.239	S	C	*	.			trans	-74.9	121.7	173.1	-170.1	79.8	0	0	0	110.6	W82 E84	L80-W82 HydrophobicContact CD2-CD2 3.97Å; L80-W82 HydrophobicContact CD2-CE3 3.77Å; L80-W82 HydrophobicContact CD2-CH2 3.77Å; L80-W82 HydrophobicContact CD2-CZ2 3.96Å; L80-W82 HydrophobicContact CD2-CZ3 3.68Å; L80-W82 HydrophobicContact CG-CD2 4.46Å; L80-E84 WeakPolarHBondContact CA-OE1 3.39Å; L80-E84 HydrophobicContact CD1-CB 4.37Å; L80-E84 HydrophobicContact CD1-CG 4.22Å; L80-E84 VanDerWaalsContact CD1-OE2 3.24Å; L80-E84 WeakPolarHBondContact CD1-OE2 3.42Å
81	D	90.9	Very high	94.7	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.203	26%	0.256	C	S	.	.			trans	-107.6	2.7	174.6	85.9	7.2	0	0	0	114.7	R30 T83 E84	R30-D81 IonicContact CZ-OD2 2.77Å; R30-D81 IonicContact NH1-OD2 2.69Å; R30-D81 PolarHBondContact NH1-OD2 2.65Å; D81-T83 VanDerWaalsContact C-N 3.28Å; D81-T83 PolarHBondContact O-N 3.08Å; D81-T83 VanDerWaalsContact OD1-CB 3.29Å; D81-T83 WeakPolarHBondContact OD1-CB 3.49Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.31Å; D81-T83 PolarHBondContact OD1-N 3.27Å; D81-T83 PolarHBondContact OD1-OG1 2.89Å; D81-E84 PolarHBondContact N-OE1 3.31Å; D81-E84 PolarHBondContact N-OE2 3.03Å
82	W	92.7	Very high	94.6	Very high	219 Å²	219	50.6 Å²	50.6	83%	0.83	26%	0.262	S	S	*	.	S	Bend	trans	73.7	7.5	178.9	-49.2	94.5	0	0	0	115.3	L80 E84	L80-W82 HydrophobicContact CD2-CD2 3.97Å; L80-W82 HydrophobicContact CD2-CE3 3.77Å; L80-W82 HydrophobicContact CD2-CH2 3.77Å; L80-W82 HydrophobicContact CD2-CZ2 3.96Å; L80-W82 HydrophobicContact CD2-CZ3 3.68Å; L80-W82 HydrophobicContact CG-CD2 4.46Å; W82-E84 VanDerWaalsContact CA-OE2 3.28Å; W82-E84 WeakPolarHBondContact CA-OE2 3.15Å; W82-E84 PolarHBondContact N-OE2 3.33Å
83	T	95.8	Very high	94.5	Very high	36 Å²	36	52 Å²	52	22%	0.221	27%	0.271	C	S	.	.			trans	-93.4	-8.3	171.3	74.3	0	0	0	0	113.2	G73 D81 S123	G73-T83 PolarHBondContact O-OG1 3.34Å; D81-T83 VanDerWaalsContact C-N 3.28Å; D81-T83 PolarHBondContact O-N 3.08Å; D81-T83 VanDerWaalsContact OD1-CB 3.29Å; D81-T83 WeakPolarHBondContact OD1-CB 3.49Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.31Å; D81-T83 PolarHBondContact OD1-N 3.27Å; D81-T83 PolarHBondContact OD1-OG1 2.89Å; T83-S123 VanDerWaalsContact CB-OG 3.27Å; T83-S123 WeakPolarHBondContact CB-OG 3.03Å; T83-S123 WeakPolarHBondContact CG2-OG 3.41Å; T83-S123 PolarHBondContact OG1-OG 2.03Å
84	E	97.2	Very high	94.5	Very high	30 Å²	30	53.8 Å²	53.8	14%	0.14	28%	0.281	C	S	.	.			trans	-68.5	143.4	-175.4	-57.8	81	176.7	0	0	113.5	L72 E74 L80 D81 W82	L72-E84 CarbonylContact O-C 3.46Å; L72-E84 VanDerWaalsContact O-CA 3.29Å; L72-E84 WeakPolarHBondContact O-CA 3.06Å; E74-E84 VanDerWaalsContact CD-CG 3.48Å; E74-E84 HydrophobicContact CG-CG 4.43Å; E74-E84 WeakPolarHBondContact OE1-CG 3.09Å; L80-E84 WeakPolarHBondContact CA-OE1 3.39Å; L80-E84 HydrophobicContact CD1-CB 4.37Å; L80-E84 HydrophobicContact CD1-CG 4.22Å; L80-E84 VanDerWaalsContact CD1-OE2 3.24Å; L80-E84 WeakPolarHBondContact CD1-OE2 3.42Å; D81-E84 PolarHBondContact N-OE1 3.31Å; D81-E84 PolarHBondContact N-OE2 3.03Å; W82-E84 VanDerWaalsContact CA-OE2 3.28Å; W82-E84 WeakPolarHBondContact CA-OE2 3.15Å; W82-E84 PolarHBondContact N-OE2 3.33Å
85	Q	98	Very high	94.7	Very high	21 Å²	21	54.4 Å²	54.4	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117	171.8	-72.3	-175.8	72.3	0	0	110.5	L72 R119	L72-Q85 WeakPolarHBondContact CD1-O 3.29Å; L72-Q85 PolarHBondContact N-O 3.19Å; L72-Q85 PolarHBondContact O-N 2.67Å; Q85-R119 PolarHBondContact NE2-O 3.22Å
86	I	97.1	Very high	94.8	Very high	95 Å²	95	59.3 Å²	59.3	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.3	173.5	-51.5	-175.4	0	0	0	109.2	W69 V70 R71	W69-I86 HydrophobicContact CE3-CG2 3.81Å; W69-I86 HydrophobicContact CZ3-CG2 4.42Å; V70-I86 CarbonylContact O-C 3.51Å; V70-I86 WeakPolarHBondContact O-CA 3.18Å; R71-I86 HydrophobicContact CG-CG1 4.32Å
87	R	97.5	Very high	94.9	Very high	50 Å²	50	60.4 Å²	60.4	19%	0.189	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	165.2	171.8	-64.3	-62.7	-177.6	-76.5	-7.1	109.9	V70 L72 L114 L116 P117 V118	V70-R87 HydrophobicContact CB-CB 4.34Å; V70-R87 PolarHBondContact N-O 3.32Å; V70-R87 PolarHBondContact O-N 2.82Å; L72-R87 HydrophobicContact CD1-CG 4.49Å; R87-L114 HydrophobicContact CB-CB 4.37Å; R87-L114 HydrophobicContact CB-CD1 4.24Å; R87-L114 HydrophobicContact CB-CD2 4.23Å; R87-L114 HydrophobicContact CG-CD1 4.22Å; R87-L116 WeakPolarHBondContact CD-O 3.4Å; R87-P117 PolarHBondContact NE-O 2.9Å; R87-P117 PolarHBondContact NH2-O 3.42Å; R87-V118 HydrophobicContact CG-CG1 4.12Å
88	H	96.8	Very high	95.2	Very high	27 Å²	27	60.9 Å²	60.9	13%	0.125	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.1	174.4	-177.1	-59.7	0	0	0	109	R67 Y68 W69 G90 R115	R67-H88 PolarHBondContact NE-CE1 3.41Å; R67-H88 VanDerWaalsContact NE-CE1 3.28Å; R67-H88 PolarHBondContact NE-NE2 2.92Å; R67-H88 PolarHBondContact NH2-NE2 2.97Å; Y68-H88 WeakPolarHBondContact O-CA 3.2Å; W69-H88 HydrophobicContact CE3-CB 4.41Å; W69-H88 HydrophobicContact CZ3-CB 4.29Å; H88-G90 PolarHBondContact O-N 2.89Å; H88-R115 PolarHBondContact ND1-NE 3.27Å; H88-R115 PolarHBondContact O-N 2.89Å; H88-R115 VanDerWaalsContact O-N 3.1Å
89	S	94.1	Very high	95.5	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.028	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	119.5	174.1	66.4	0	0	0	0	110.1	Y68	Y68-S89 PolarHBondContact N-OG 3.12Å; Y68-S89 PolarHBondContact O-N 3.09Å
90	G	90.1	Very high	95.5	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-59.9	-176.4	0	0	0	0	0	112.3	H88 R113 R115	H88-G90 PolarHBondContact O-N 2.89Å; G90-R113 WeakPolarHBondContact CA-O 3.28Å; G90-R113 PolarHBondContact N-O 3.05Å; G90-R115 VanDerWaalsContact CA-CG 3.5Å
91	F	93.5	Very high	95.5	Very high	79 Å²	79	54.5 Å²	54.5	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.8	-178.9	169.1	-106.4	0	0	0	108.9	W56 V93 R113 N248	W56-F91 HydrophobicContact CH2-CD1 4.04Å; W56-F91 HydrophobicContact CH2-CE1 4.17Å; W56-F91 HydrophobicContact CZ3-CD1 4.44Å; F91-V93 HydrophobicContact CD1-CG2 4.08Å; F91-V93 HydrophobicContact CE1-CG2 3.2Å; F91-V93 HydrophobicContact CE2-CG2 4.12Å; F91-V93 HydrophobicContact CZ-CG2 3.23Å; F91-R113 HydrophobicContact CB-CB 4.07Å; F91-R113 HydrophobicContact CD1-CB 4.21Å; F91-R113 PolarHBondContact N-O 3.31Å; F91-R113 PolarHBondContact O-N 2.77Å; F91-N248 HydrophobicContact CD1-CB 4.22Å; F91-N248 HydrophobicContact CE1-CB 3.67Å; F91-N248 VanDerWaalsContact CE1-CG 3.42Å; F91-N248 VanDerWaalsContact CE1-OD1 3.32Å; F91-N248 WeakPolarHBondContact CE1-OD1 2.93Å; F91-N248 HydrophobicContact CZ-CB 4.33Å; F91-N248 WeakPolarHBondContact CZ-OD1 3.49Å
92	S	96	Very high	95.5	Very high	46 Å²	46	58.5 Å²	58.5	32%	0.322	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	131.2	-174.1	174	0	0	0	0	110.1	R110 L111 L112	S92-R110 WeakPolarHBondContact OG-CD 3.4Å; S92-L111 CarbonylContact C-O 3.54Å; S92-L111 VanDerWaalsContact CA-O 3.31Å; S92-L111 WeakPolarHBondContact CA-O 3.32Å; S92-L112 WeakPolarHBondContact OG-CD2 3.44Å
93	V	96.4	Very high	95.4	Very high	29 Å²	29	52.5 Å²	52.5	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.2	176.8	-170.8	0	0	0	0	109	F91 R110 L111 W240 I244	F91-V93 HydrophobicContact CD1-CG2 4.08Å; F91-V93 HydrophobicContact CE1-CG2 3.2Å; F91-V93 HydrophobicContact CE2-CG2 4.12Å; F91-V93 HydrophobicContact CZ-CG2 3.23Å; V93-R110 CarbonylContact O-C 3.46Å; V93-R110 VanDerWaalsContact O-CA 3.3Å; V93-R110 WeakPolarHBondContact O-CA 3.29Å; V93-L111 PolarHBondContact N-O 2.84Å; V93-L111 PolarHBondContact O-N 3.48Å; V93-W240 HydrophobicContact CG1-CZ2 3.94Å; V93-I244 HydrophobicContact CB-CG2 4.2Å; V93-I244 HydrophobicContact CG1-CD1 4.1Å; V93-I244 HydrophobicContact CG1-CG1 4.47Å; V93-I244 HydrophobicContact CG2-CG2 3.94Å
94	T	97.5	Very high	95.3	Very high	43 Å²	43	52.9 Å²	52.9	26%	0.264	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	145	169.4	-53.7	0	0	0	0	108.7	A61 Y98 R110	A61-T94 HydrophobicContact CB-CG2 3.55Å; T94-Y98 HydrophobicContact CG2-CD1 3.9Å; T94-Y98 HydrophobicContact CG2-CG 4.24Å; T94-R110 PolarHBondContact OG1-NE 2.99Å; T94-R110 PolarHBondContact OG1-NH2 3.26Å
95	H	98.3	Very high	95.2	Very high	26 Å²	26	53.1 Å²	53.1	12%	0.12	32%	0.324	C	S	.	.			trans	-59.2	131.7	175.5	-173.8	-84	0	0	0	110.9	G97 Y98 H107 L109 Y237 W240	H95-G97 PolarHBondContact ND1-N 3.5Å; H95-G97 VanDerWaalsContact ND1-N 3.12Å; H95-G97 PolarHBondContact O-N 3.1Å; H95-G97 VanDerWaalsContact O-N 3.14Å; H95-Y98 WeakPolarHBondContact O-CB 3.18Å; H95-Y98 PolarHBondContact O-N 2.86Å; H95-H107 HydrophobicContact CB-CB 4.2Å; H95-H107 AromaticContact CE1-CE1 3.9Å; H95-H107 AromaticContact CE1-CG 3.59Å; H95-H107 AromaticContact CE1-ND1 3.3Å; H95-H107 PolarHBondContact CE1-ND1 2.99Å; H95-H107 VanDerWaalsContact CE1-ND1 3.3Å; H95-H107 WeakPolarHBondContact ND1-CB 3.48Å; H95-H107 AromaticContact ND1-CG 3.44Å; H95-H107 AromaticContact ND1-ND1 3.65Å; H95-L109 HydrophobicContact CB-CD2 3.47Å; H95-L109 VanDerWaalsContact CB-CD2 3.47Å; H95-L109 HydrophobicContact CB-CG 4.15Å; H95-L109 PolarHBondContact N-O 3.43Å; H95-Y237 AromaticContact CD2-CD1 3.7Å; H95-Y237 AromaticContact CD2-CE1 3.82Å; H95-Y237 AromaticContact NE2-CD1 3.75Å; H95-Y237 AromaticContact NE2-CE1 3.68Å; H95-W240 HydrophobicContact CB-CH2 4.1Å; H95-W240 HydrophobicContact CB-CZ2 4.03Å; H95-W240 HydrophobicContact CB-CZ3 4.47Å; H95-W240 AromaticContact CD2-CD1 3.95Å; H95-W240 AromaticContact CD2-CD2 3.53Å; H95-W240 AromaticContact CD2-CE2 3.68Å; H95-W240 AromaticContact CD2-CE3 3.94Å; H95-W240 AromaticContact CD2-CG 3.75Å; H95-W240 AromaticContact CD2-NE1 3.91Å
96	P	97.5	Very high	95.2	Very high	106 Å²	106	53.1 Å²	53.1	69%	0.688	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.4	-170.9	25.5	-35.6	0	0	0	114.1	Y98	P96-Y98 VanDerWaalsContact C-N 3.32Å
97	G	97.9	Very high	95.3	Very high	23 Å²	23	50.8 Å²	50.8	24%	0.237	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.2	172.8	0	0	0	0	0	115.2	H95 L99 H107	H95-G97 PolarHBondContact ND1-N 3.5Å; H95-G97 VanDerWaalsContact ND1-N 3.12Å; H95-G97 PolarHBondContact O-N 3.1Å; H95-G97 VanDerWaalsContact O-N 3.14Å; G97-L99 PolarHBondContact O-N 3.3Å; G97-H107 PolarHBondContact O-CD2 2.73Å
98	Y	98	Very high	95.3	Very high	41 Å²	41	48.4 Å²	48.4	16%	0.161	30%	0.302	C	S	.	.			trans	-74.9	109.5	-180	-177.9	-108.6	0	0	0	111.1	A61 H62 T94 H95 P96 A101 E106 H107 D108	A61-Y98 HydrophobicContact CB-CD1 3.46Å; A61-Y98 VanDerWaalsContact CB-CD1 3.46Å; A61-Y98 HydrophobicContact CB-CD2 3.69Å; A61-Y98 HydrophobicContact CB-CE1 3.67Å; A61-Y98 HydrophobicContact CB-CE2 3.93Å; A61-Y98 HydrophobicContact CB-CG 3.45Å; A61-Y98 VanDerWaalsContact CB-CG 3.45Å; H62-Y98 WeakPolarHBondContact CA-OH 3.18Å; H62-Y98 VanDerWaalsContact CB-OH 3.28Å; H62-Y98 WeakPolarHBondContact CB-OH 3.33Å; T94-Y98 HydrophobicContact CG2-CD1 3.9Å; T94-Y98 HydrophobicContact CG2-CG 4.24Å; H95-Y98 WeakPolarHBondContact O-CB 3.18Å; H95-Y98 PolarHBondContact O-N 2.86Å; P96-Y98 VanDerWaalsContact C-N 3.32Å; Y98-A101 PolarHBondContact OH-N 2.81Å; Y98-A101 VanDerWaalsContact OH-N 3.11Å; Y98-E106 WeakPolarHBondContact CD2-O 3.27Å; Y98-H107 WeakPolarHBondContact CB-O 3.27Å; Y98-D108 HydrophobicContact CD2-CB 4.12Å; Y98-D108 HydrophobicContact CE2-CB 3.93Å
99	L	96.7	Very high	95.4	Very high	120 Å²	120	47.1 Å²	47.1	63%	0.628	30%	0.296	S	S	*	.			trans	-94.1	7.1	-177.3	-58.8	-178.1	0	0	0	114	G97 T103	G97-L99 PolarHBondContact O-N 3.3Å; L99-T103 HydrophobicContact CB-CG2 3.93Å; L99-T103 HydrophobicContact CD1-CG2 4.16Å; L99-T103 PolarHBondContact O-OG1 3.35Å
100	G	93.9	Very high	95.6	Very high	17 Å²	17	48.4 Å²	48.4	18%	0.175	30%	0.3	C	S	.	.			trans	88.5	145.6	-178.6	0	0	0	0	0	113.6	S102 T103 S104	G100-S102 PolarHBondContact O-N 2.03Å; G100-T103 WeakPolarHBondContact O-CA 3.49Å; G100-T103 WeakPolarHBondContact O-CB 3.36Å; G100-T103 PolarHBondContact O-N 3.38Å; G100-S104 CarbonylContact C-O 3.55Å; G100-S104 PolarHBondContact O-N 3.02Å
101	A	90.2	Very high	96	Very high	52 Å²	52	46.3 Å²	46.3	43%	0.43	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.3	-176.7	0	0	0	0	0	115.1	Y98 T103	Y98-A101 PolarHBondContact OH-N 2.81Å; Y98-A101 VanDerWaalsContact OH-N 3.11Å; A101-T103 VanDerWaalsContact C-N 3.26Å; A101-T103 PolarHBondContact O-N 2.91Å
102	S	89.5	Confident	96.2	Very high	121 Å²	121	42.6 Å²	42.6	85%	0.846	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.4	171.5	51.1	0	0	0	0	113.8	G100	G100-S102 PolarHBondContact O-N 2.03Å
103	T	91.4	Very high	96.3	Very high	94 Å²	94	44.3 Å²	44.3	58%	0.577	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-56.9	175.1	-57.1	0	0	0	0	109.7	L99 G100 A101	L99-T103 HydrophobicContact CB-CG2 3.93Å; L99-T103 HydrophobicContact CD1-CG2 4.16Å; L99-T103 PolarHBondContact O-OG1 3.35Å; G100-T103 WeakPolarHBondContact O-CA 3.49Å; G100-T103 WeakPolarHBondContact O-CB 3.36Å; G100-T103 PolarHBondContact O-N 3.38Å; A101-T103 VanDerWaalsContact C-N 3.26Å; A101-T103 PolarHBondContact O-N 2.91Å
104	S	93.7	Very high	96.3	Very high	43 Å²	43	43 Å²	43	30%	0.301	25%	0.254	S	S	.	.			trans	-171.4	171.4	172.8	64.5	0	0	0	0	110.3	G100 E106	G100-S104 CarbonylContact C-O 3.55Å; G100-S104 PolarHBondContact O-N 3.02Å; S104-E106 VanDerWaalsContact OG-CB 3.25Å; S104-E106 WeakPolarHBondContact OG-CB 3.05Å; S104-E106 PolarHBondContact OG-N 3.35Å
105	H	95.8	Very high	96.3	Very high	36 Å²	36	47.8 Å²	47.8	17%	0.167	27%	0.268	C	S	.	.			trans	-90.7	24.4	165.7	-72.6	-97.3	0	0	0	112.3	D108 M184 W216	H105-D108 HydrophobicContact CB-CB 4.23Å; H105-D108 IonicContact CE1-OD2 4Å; H105-D108 IonicContact CG-OD2 3.87Å; H105-D108 IonicContact ND1-OD2 2.98Å; H105-D108 PolarHBondContact ND1-OD2 2.69Å; H105-D108 VanDerWaalsContact O-CB 3.22Å; H105-D108 WeakPolarHBondContact O-CB 3.22Å; H105-D108 PolarHBondContact O-N 3.08Å; H105-M184 HydrophobicContact CB-CE 4.36Å; H105-M184 WeakPolarHBondContact O-CE 3.37Å; H105-W216 HydrophobicContact CB-CG 3.99Å; H105-W216 AromaticContact CD2-CD1 3.93Å; H105-W216 AromaticContact CD2-CG 3.78Å; H105-W216 AromaticContact CG-CD1 3.48Å; H105-W216 VanDerWaalsContact CG-CD1 3.48Å; H105-W216 AromaticContact CG-CG 3.76Å
106	E	97.8	Very high	96.3	Very high	21 Å²	21	52 Å²	52	10%	0.098	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	133.6	177.9	-178.4	42.7	-141.7	0	0	110.7	Y98 S104 D108 T181 N183 M184 Y237	Y98-E106 WeakPolarHBondContact CD2-O 3.27Å; S104-E106 VanDerWaalsContact OG-CB 3.25Å; S104-E106 WeakPolarHBondContact OG-CB 3.05Å; S104-E106 PolarHBondContact OG-N 3.35Å; E106-D108 VanDerWaalsContact C-N 3.32Å; E106-D108 PolarHBondContact O-N 3.02Å; E106-T181 HydrophobicContact CB-CG2 4.42Å; E106-T181 HydrophobicContact CG-CG2 4.12Å; E106-T181 VanDerWaalsContact OE2-CB 3.25Å; E106-T181 WeakPolarHBondContact OE2-CB 3.5Å; E106-T181 WeakPolarHBondContact OE2-CG2 3.09Å; E106-T181 PolarHBondContact OE2-OG1 2.91Å; E106-N183 WeakPolarHBondContact OE1-CB 3.47Å; E106-N183 PolarHBondContact OE1-ND2 2.89Å; E106-M184 HydrophobicContact CB-CE 4.23Å; E106-Y237 PolarHBondContact OE1-OH 3.12Å
107	H	98.4	Very high	96.3	Very high	45 Å²	45	49.4 Å²	49.4	21%	0.208	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.6	-169.2	-41	-84.3	0	0	0	115.4	H95 G97 Y98 L109 Y237	H95-H107 HydrophobicContact CB-CB 4.2Å; H95-H107 AromaticContact CE1-CE1 3.9Å; H95-H107 AromaticContact CE1-CG 3.59Å; H95-H107 AromaticContact CE1-ND1 3.3Å; H95-H107 PolarHBondContact CE1-ND1 2.99Å; H95-H107 VanDerWaalsContact CE1-ND1 3.3Å; H95-H107 WeakPolarHBondContact ND1-CB 3.48Å; H95-H107 AromaticContact ND1-CG 3.44Å; H95-H107 AromaticContact ND1-ND1 3.65Å; G97-H107 PolarHBondContact O-CD2 2.73Å; Y98-H107 WeakPolarHBondContact CB-O 3.27Å; H107-L109 HydrophobicContact CB-CD2 4.36Å; H107-L109 WeakPolarHBondContact O-CD2 3.36Å; H107-L109 PolarHBondContact O-N 2.87Å; H107-Y237 WeakPolarHBondContact CA-OH 3.42Å; H107-Y237 HydrophobicContact CB-CE1 4.07Å; H107-Y237 PolarHBondContact N-OH 3.14Å; H107-Y237 AromaticContact ND1-CE1 3.36Å; H107-Y237 WeakPolarHBondContact ND1-CE1 3.02Å; H107-Y237 AromaticContact ND1-CZ 3.61Å; H107-Y237 PolarHBondContact ND1-OH 3.36Å
108	D	98.5	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.			trans	-73.3	56.8	-178.9	-171.7	18	0	0	0	114.5	A60 A61 H62 Y98 H105 E106 S215 T232	A60-D108 VanDerWaalsContact CA-O 3.27Å; A60-D108 WeakPolarHBondContact CA-O 3.44Å; A61-D108 WeakPolarHBondContact CA-OD1 3.43Å; A61-D108 WeakPolarHBondContact CB-OD1 3.3Å; A61-D108 VanDerWaalsContact N-C 3.33Å; A61-D108 PolarHBondContact N-O 3.36Å; A61-D108 PolarHBondContact N-OD1 3.43Å; H62-D108 IonicContact CE1-OD2 3.45Å; H62-D108 IonicContact CG-OD1 3.21Å; H62-D108 IonicContact CG-OD2 2.72Å; H62-D108 PolarHBondContact N-OD1 3.26Å; H62-D108 IonicContact ND1-OD1 3.32Å; H62-D108 PolarHBondContact ND1-OD1 2.96Å; H62-D108 IonicContact ND1-OD2 3.41Å; H62-D108 PolarHBondContact ND1-OD2 3.08Å; Y98-D108 HydrophobicContact CD2-CB 4.12Å; Y98-D108 HydrophobicContact CE2-CB 3.93Å; H105-D108 HydrophobicContact CB-CB 4.23Å; H105-D108 IonicContact CE1-OD2 4Å; H105-D108 IonicContact CG-OD2 3.87Å; H105-D108 IonicContact ND1-OD2 2.98Å; H105-D108 PolarHBondContact ND1-OD2 2.69Å; H105-D108 VanDerWaalsContact O-CB 3.22Å; H105-D108 WeakPolarHBondContact O-CB 3.22Å; H105-D108 PolarHBondContact O-N 3.08Å; E106-D108 VanDerWaalsContact C-N 3.32Å; E106-D108 PolarHBondContact O-N 3.02Å; D108-S215 WeakPolarHBondContact CB-OG 3.36Å; D108-S215 PolarHBondContact OD2-OG 3.04Å; D108-T232 PolarHBondContact O-OG1 3.1Å
109	L	98.6	Very high	96.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.			trans	-130.1	148.1	173.8	77.3	168.9	0	0	0	114.4	L58 T59 H95 H107 L213 T232 I234 Y237 W240 I241	L58-L109 HydrophobicContact CD2-CD1 4.46Å; T59-L109 WeakPolarHBondContact O-CA 3.27Å; H95-L109 HydrophobicContact CB-CD2 3.47Å; H95-L109 VanDerWaalsContact CB-CD2 3.47Å; H95-L109 HydrophobicContact CB-CG 4.15Å; H95-L109 PolarHBondContact N-O 3.43Å; H107-L109 HydrophobicContact CB-CD2 4.36Å; H107-L109 WeakPolarHBondContact O-CD2 3.36Å; H107-L109 PolarHBondContact O-N 2.87Å; L109-L213 HydrophobicContact CB-CD1 3.94Å; L109-T232 HydrophobicContact CB-CG2 4.25Å; L109-T232 HydrophobicContact CD2-CG2 4.24Å; L109-I234 HydrophobicContact CD1-CD1 4.21Å; L109-Y237 HydrophobicContact CD1-CD1 3.93Å; L109-Y237 HydrophobicContact CD1-CD2 4.14Å; L109-Y237 HydrophobicContact CD1-CG 3.62Å; L109-Y237 HydrophobicContact CD2-CD1 3.56Å; L109-Y237 HydrophobicContact CD2-CD2 4.31Å; L109-Y237 HydrophobicContact CD2-CE1 3.53Å; L109-Y237 HydrophobicContact CD2-CE2 4.32Å; L109-Y237 HydrophobicContact CD2-CG 3.96Å; L109-Y237 HydrophobicContact CG-CD1 4.42Å; L109-Y237 HydrophobicContact CG-CG 4.48Å; L109-W240 HydrophobicContact CD1-CE3 3.95Å; L109-W240 HydrophobicContact CD1-CZ3 3.76Å; L109-W240 HydrophobicContact CG-CE3 4.37Å; L109-W240 HydrophobicContact CG-CZ3 3.86Å; L109-I241 HydrophobicContact CD1-CD1 4.26Å; L109-I241 HydrophobicContact CD1-CG1 4.29Å
110	R	98.2	Very high	96.4	Very high	31 Å²	31	53.3 Å²	53.3	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.5	178.8	170.4	-179.8	-73.3	-163	-5.1	110.4	T59 C63 S64 G65 S92 V93 T94 L112	T59-R110 HydrophobicContact CG2-CB 4.16Å; T59-R110 HydrophobicContact CG2-CG 4.29Å; T59-R110 PolarHBondContact N-O 2.88Å; T59-R110 PolarHBondContact O-N 3.37Å; C63-R110 PolarHBondContact O-NH1 2.86Å; S64-R110 PolarHBondContact O-NH1 2.95Å; G65-R110 PolarHBondContact O-NH1 2.85Å; G65-R110 VanDerWaalsContact O-NH1 3.16Å; S92-R110 WeakPolarHBondContact OG-CD 3.4Å; V93-R110 CarbonylContact O-C 3.46Å; V93-R110 VanDerWaalsContact O-CA 3.3Å; V93-R110 WeakPolarHBondContact O-CA 3.29Å; T94-R110 PolarHBondContact OG1-NE 2.99Å; T94-R110 PolarHBondContact OG1-NH2 3.26Å; R110-L112 HydrophobicContact CG-CD2 4.13Å
111	L	98.1	Very high	96.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.4	170.6	-83.5	168.3	0	0	0	110.6	I52 W56 L58 S92 V93 W240 I241 I244	I52-L111 HydrophobicContact CD1-CD2 3.87Å; W56-L111 HydrophobicContact CE3-CB 4.14Å; W56-L111 HydrophobicContact CE3-CD2 4.09Å; W56-L111 HydrophobicContact CZ3-CB 3.96Å; L58-L111 HydrophobicContact CD2-CD2 3.47Å; L58-L111 VanDerWaalsContact CD2-CD2 3.47Å; L58-L111 HydrophobicContact CD2-CG 3.72Å; L58-L111 HydrophobicContact CG-CD2 3.76Å; S92-L111 CarbonylContact C-O 3.54Å; S92-L111 VanDerWaalsContact CA-O 3.31Å; S92-L111 WeakPolarHBondContact CA-O 3.32Å; V93-L111 PolarHBondContact N-O 2.84Å; V93-L111 PolarHBondContact O-N 3.48Å; L111-W240 HydrophobicContact CD1-CH2 4.25Å; L111-W240 HydrophobicContact CD1-CZ3 3.97Å; L111-W240 HydrophobicContact CG-CH2 4.44Å; L111-W240 HydrophobicContact CG-CZ3 4.2Å; L111-I241 HydrophobicContact CD1-CG2 4.32Å; L111-I241 HydrophobicContact CD2-CG2 4.38Å; L111-I244 HydrophobicContact CB-CG2 4.42Å; L111-I244 HydrophobicContact CD1-CB 3.62Å; L111-I244 HydrophobicContact CD1-CG1 4.32Å; L111-I244 HydrophobicContact CD1-CG2 3.55Å
112	L	97.8	Very high	97	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123	172.9	-59.7	-179	0	0	0	109.4	L39 V57 T59 Y68 S92 R110	L39-L112 HydrophobicContact CD1-CD1 3.86Å; L39-L112 HydrophobicContact CD2-CD1 3.83Å; V57-L112 HydrophobicContact CB-CB 4.29Å; V57-L112 PolarHBondContact N-O 2.75Å; V57-L112 PolarHBondContact O-N 2.85Å; T59-L112 HydrophobicContact CG2-CD1 4.04Å; T59-L112 HydrophobicContact CG2-CG 4.19Å; Y68-L112 HydrophobicContact CD2-CD1 3.82Å; Y68-L112 HydrophobicContact CE2-CD1 4.39Å; S92-L112 WeakPolarHBondContact OG-CD2 3.44Å; R110-L112 HydrophobicContact CG-CD2 4.13Å
113	R	97.5	Very high	97.4	Very high	82 Å²	82	50.8 Å²	50.8	31%	0.309	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.4	171.9	-162.1	-173.4	-176	-172.3	18.1	110.6	R55 W56 G90 F91 N248	R55-R113 HydrophobicContact CB-CG 4.38Å; R55-R113 CarbonylContact O-C 3.55Å; R55-R113 VanDerWaalsContact O-CA 3.26Å; R55-R113 WeakPolarHBondContact O-CA 3.27Å; W56-R113 HydrophobicContact CD2-CB 4.29Å; W56-R113 HydrophobicContact CD2-CG 4.15Å; W56-R113 HydrophobicContact CE3-CB 3.86Å; W56-R113 HydrophobicContact CE3-CG 4.24Å; W56-R113 HydrophobicContact CH2-CB 3.77Å; W56-R113 HydrophobicContact CH2-CG 4.01Å; W56-R113 HydrophobicContact CZ2-CB 4.17Å; W56-R113 HydrophobicContact CZ2-CG 3.88Å; W56-R113 HydrophobicContact CZ3-CB 3.6Å; W56-R113 HydrophobicContact CZ3-CG 4.18Å; G90-R113 WeakPolarHBondContact CA-O 3.28Å; G90-R113 PolarHBondContact N-O 3.05Å; F91-R113 HydrophobicContact CB-CB 4.07Å; F91-R113 HydrophobicContact CD1-CB 4.21Å; F91-R113 PolarHBondContact N-O 3.31Å; F91-R113 PolarHBondContact O-N 2.77Å; R113-N248 PolarHBondContact NE-OXT 2.76Å; R113-N248 VanDerWaalsContact NH1-C 3.28Å; R113-N248 PolarHBondContact NH1-O 3.35Å; R113-N248 PolarHBondContact NH1-OXT 3.36Å; R113-N248 PolarHBondContact NH2-O 2.83Å; R113-N248 PolarHBondContact NH2-OXT 2.84Å
114	L	97.8	Very high	97.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.2	178.1	-50.7	-179.3	0	0	0	111	R55 V57 V70 R87 L116 V118	R55-L114 PolarHBondContact O-N 2.92Å; V57-L114 HydrophobicContact CG2-CD1 4.22Å; V57-L114 HydrophobicContact CG2-CD2 4.09Å; V57-L114 HydrophobicContact CG2-CG 4.34Å; V70-L114 HydrophobicContact CB-CD2 3.96Å; V70-L114 HydrophobicContact CG1-CD2 3.83Å; V70-L114 HydrophobicContact CG2-CD2 3.69Å; R87-L114 HydrophobicContact CB-CB 4.37Å; R87-L114 HydrophobicContact CB-CD1 4.24Å; R87-L114 HydrophobicContact CB-CD2 4.23Å; R87-L114 HydrophobicContact CG-CD1 4.22Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 WeakPolarHBondContact CB-O 3.24Å; L114-L116 PolarHBondContact O-N 2.05Å; L114-V118 HydrophobicContact CD1-CG1 3.77Å
115	R	97.1	Very high	98	Very high	143 Å²	143	48.2 Å²	48.2	54%	0.54	23%	0.232	S	C	.	.	S	Bend	trans	-58.5	-39.7	178.7	-70.5	-175	175.7	-163.5	-5.3	112.7	R55 H88 G90	R55-R115 PolarHBondContact NH1-O 3.39Å; H88-R115 PolarHBondContact ND1-NE 3.27Å; H88-R115 PolarHBondContact O-N 2.89Å; H88-R115 VanDerWaalsContact O-N 3.1Å; G90-R115 VanDerWaalsContact CA-CG 3.5Å
116	L	97.7	Very high	98.1	Very high	115 Å²	115	48.4 Å²	48.4	60%	0.602	24%	0.236	S	C	*	.	S	Bend	trans	-122	147.4	174.5	-66.7	176.7	0	0	0	109	R87 L114	R87-L116 WeakPolarHBondContact CD-O 3.4Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 WeakPolarHBondContact CB-O 3.24Å; L114-L116 PolarHBondContact O-N 2.05Å
117	P	98.1	Very high	98.1	Very high	51 Å²	51	47.5 Å²	47.5	33%	0.331	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-68.2	154.4	178.5	30.9	-33.2	0	0	0	110.9	H54 R55 R87	H54-P117 HydrophobicContact CB-CB 4.31Å; H54-P117 CarbonylContact O-C 3.55Å; H54-P117 WeakPolarHBondContact O-CA 3.38Å; R55-P117 HydrophobicContact CG-CB 3.83Å; R87-P117 PolarHBondContact NE-O 2.9Å; R87-P117 PolarHBondContact NH2-O 3.42Å
118	V	98.4	Very high	98.1	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.036	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-75.9	150.5	162.7	-57.5	0	0	0	0	109.8	L51 H54 L72 R87 L114 V124	L51-V118 HydrophobicContact CD1-CG1 4.48Å; L51-V118 HydrophobicContact CD1-CG2 4.04Å; L51-V118 HydrophobicContact CD2-CG2 3.81Å; H54-V118 PolarHBondContact O-N 2.94Å; L72-V118 HydrophobicContact CD1-CG1 3.8Å; L72-V118 HydrophobicContact CD2-CG1 4.06Å; R87-V118 HydrophobicContact CG-CG1 4.12Å; L114-V118 HydrophobicContact CD1-CG1 3.77Å; V118-V124 HydrophobicContact CB-CG1 3.96Å; V118-V124 HydrophobicContact CG1-CG1 4.41Å; V118-V124 HydrophobicContact CG2-CG1 3.91Å
119	R	98.4	Very high	98.2	Very high	193 Å²	193	50.1 Å²	50.1	73%	0.728	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-84.8	126.2	165.2	179	179.1	178.2	-180	-0.6	107.2	Q85 T121	Q85-R119 PolarHBondContact NE2-O 3.22Å; R119-T121 HydrophobicContact CG-CG2 4.26Å
120	V	98.4	Very high	98.2	Very high	67 Å²	67	50.1 Å²	50.1	41%	0.406	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-69.1	132.4	174.1	179.8	0	0	0	0	109.3	V124 Q125	V120-V124 WeakPolarHBondContact CA-O 3.47Å; V120-Q125 HydrophobicContact CG1-CG 4.13Å
121	T	98.3	Very high	98.1	Very high	47 Å²	47	55 Å²	55	29%	0.288	28%	0.28	S	S	.	.			trans	-142.8	-175.6	-179.5	65.6	0	0	0	0	110	R119 S123 V124 Q125	R119-T121 HydrophobicContact CG-CG2 4.26Å; T121-S123 PolarHBondContact O-N 2.8Å; T121-S123 PolarHBondContact OG1-N 2.79Å; T121-V124 PolarHBondContact N-O 3.14Å; T121-V124 PolarHBondContact OG1-N 2.81Å; T121-V124 VanDerWaalsContact OG1-N 3.08Å; T121-Q125 WeakPolarHBondContact O-CG 3.14Å; T121-Q125 PolarHBondContact O-NE2 2.83Å
122	S	97.2	Very high	98.1	Very high	88 Å²	88	61.1 Å²	61.1	62%	0.615	31%	0.312	S	S	*	.	S	Bend	trans	-61.6	-32.8	169.1	49.1	0	0	0	0	113.1
123	S	97.9	Very high	98.2	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.014	33%	0.327	C	S	.	.	S	Bend	trans	-99.2	-8.4	-175.5	-43.9	0	0	0	0	114.1	N31 P34 G73 T83 T121	N31-S123 PolarHBondContact ND2-OG 2.72Å; N31-S123 WeakPolarHBondContact OD1-CB 3.46Å; N31-S123 PolarHBondContact OD1-OG 3.06Å; P34-S123 VanDerWaalsContact CA-O 3.27Å; P34-S123 WeakPolarHBondContact CA-O 3.25Å; P34-S123 VanDerWaalsContact CB-C 3.45Å; P34-S123 WeakPolarHBondContact CB-O 3.44Å; G73-S123 WeakPolarHBondContact CA-O 3.09Å; T83-S123 VanDerWaalsContact CB-OG 3.27Å; T83-S123 WeakPolarHBondContact CB-OG 3.03Å; T83-S123 WeakPolarHBondContact CG2-OG 3.41Å; T83-S123 PolarHBondContact OG1-OG 2.03Å; T121-S123 PolarHBondContact O-N 2.8Å; T121-S123 PolarHBondContact OG1-N 2.79Å
124	V	98.6	Very high	98.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.			trans	-135.5	103.2	-179.6	-177.3	0	0	0	0	109.6	P34 L51 L72 V118 V120 T121	P34-V124 CarbonylContact O-C 3.32Å; P34-V124 VanDerWaalsContact O-CA 3.27Å; P34-V124 WeakPolarHBondContact O-CA 3.07Å; L51-V124 HydrophobicContact CD2-CG1 3.82Å; L72-V124 HydrophobicContact CB-CG1 4.18Å; L72-V124 HydrophobicContact CB-CG2 4.09Å; L72-V124 HydrophobicContact CD2-CG1 4.22Å; V118-V124 HydrophobicContact CB-CG1 3.96Å; V118-V124 HydrophobicContact CG1-CG1 4.41Å; V118-V124 HydrophobicContact CG2-CG1 3.91Å; V120-V124 WeakPolarHBondContact CA-O 3.47Å; T121-V124 PolarHBondContact N-O 3.14Å; T121-V124 PolarHBondContact OG1-N 2.81Å; T121-V124 VanDerWaalsContact OG1-N 3.08Å
125	Q	98.5	Very high	98.2	Very high	83 Å²	83	64.8 Å²	64.8	39%	0.388	35%	0.347	S	S	.	.			trans	-143.9	138	-177.5	-57.5	-170.2	12.9	0	0	111	P34 W35 V120 T121	P34-Q125 CarbonylContact C-O 2.93Å; P34-Q125 HydrophobicContact CB-CB 4Å; P34-Q125 HydrophobicContact CB-CG 4.03Å; P34-Q125 HydrophobicContact CG-CB 3.99Å; P34-Q125 HydrophobicContact CG-CG 4.2Å; P34-Q125 PolarHBondContact O-N 2.86Å; W35-Q125 WeakPolarHBondContact CA-O 3.46Å; W35-Q125 WeakPolarHBondContact CB-O 3.18Å; W35-Q125 PolarHBondContact N-O 2.86Å; V120-Q125 HydrophobicContact CG1-CG 4.13Å; T121-Q125 WeakPolarHBondContact O-CG 3.14Å; T121-Q125 PolarHBondContact O-NE2 2.83Å
126	P	98.7	Very high	98.3	Very high	40 Å²	40	60.8 Å²	60.8	26%	0.26	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.1	170.3	-26	36.8	0	0	0	113.1	L51	L51-P126 HydrophobicContact CD2-CG 4.23Å; L51-P126 HydrophobicContact CG-CG 4.36Å; L51-P126 CarbonylContact O-C 3.57Å; L51-P126 WeakPolarHBondContact O-CA 3.03Å
127	L	98.7	Very high	98.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-86.3	129.4	167.7	-174	69.5	0	0	0	109.5	W35 V50 L51 V205 G208 L210	W35-L127 HydrophobicContact CB-CB 3.6Å; W35-L127 HydrophobicContact CD2-CB 3.9Å; W35-L127 HydrophobicContact CD2-CD1 3.66Å; W35-L127 HydrophobicContact CD2-CD2 4.26Å; W35-L127 HydrophobicContact CD2-CG 4.15Å; W35-L127 HydrophobicContact CE3-CB 4.1Å; W35-L127 HydrophobicContact CE3-CD1 3.62Å; W35-L127 HydrophobicContact CE3-CG 4.39Å; W35-L127 HydrophobicContact CG-CB 3.68Å; W35-L127 HydrophobicContact CG-CD1 4.28Å; W35-L127 HydrophobicContact CG-CD2 4.12Å; W35-L127 HydrophobicContact CG-CG 4.25Å; W35-L127 HydrophobicContact CH2-CD1 4.06Å; W35-L127 HydrophobicContact CZ2-CD1 4.09Å; W35-L127 HydrophobicContact CZ3-CD1 3.83Å; V50-L127 HydrophobicContact CG1-CB 4.04Å; V50-L127 HydrophobicContact CG1-CD2 3.96Å; L51-L127 PolarHBondContact O-N 3.19Å; L127-V205 HydrophobicContact CD1-CG1 3.98Å; L127-V205 HydrophobicContact CD2-CG1 4.25Å; L127-V205 HydrophobicContact CD2-CG2 3.69Å; L127-G208 WeakPolarHBondContact CD1-O 3.4Å; L127-L210 HydrophobicContact CD2-CB 3.65Å; L127-L210 HydrophobicContact CD2-CD1 3.99Å; L127-L210 HydrophobicContact CD2-CG 4.35Å; L127-L210 HydrophobicContact CG-CB 4.17Å
128	P	98.6	Very high	98.3	Very high	72 Å²	72	57.3 Å²	57.3	47%	0.468	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-65.6	142.4	179	24.1	-32.7	0	0	0	112.5	G208 V209 L210	P128-G208 WeakPolarHBondContact CG-O 3.45Å; P128-V209 HydrophobicContact CB-CG1 4.32Å; P128-V209 HydrophobicContact CG-CG1 3.98Å; P128-V209 WeakPolarHBondContact O-CA 3.39Å; P128-L210 PolarHBondContact O-N 3.47Å
129	L	98.8	Very high	98.3	Very high	28 Å²	28	62.5 Å²	62.5	15%	0.147	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69.2	146.2	168.4	-63.4	174.8	0	0	0	110.2	I52 L58 L210 I234 V238 I241 R242	I52-L129 HydrophobicContact CD1-CD2 4.39Å; I52-L129 HydrophobicContact CG2-CD2 4.2Å; L58-L129 HydrophobicContact CD1-CD2 4.17Å; L129-L210 HydrophobicContact CD2-CD2 4.35Å; L129-I234 HydrophobicContact CD2-CG2 4.04Å; L129-V238 HydrophobicContact CB-CG1 4.4Å; L129-V238 HydrophobicContact CD1-CG1 4.35Å; L129-I241 HydrophobicContact CD1-CB 4.32Å; L129-I241 HydrophobicContact CD1-CG2 3.63Å; L129-I241 HydrophobicContact CD2-CD1 4.21Å; L129-I241 HydrophobicContact CD2-CG2 4.39Å; L129-R242 HydrophobicContact CD1-CG 4.5Å
130	P	98.4	Very high	98.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-74.1	153.7	-179.3	32.8	-35.4	0	0	0	110.7	V209 L210 I234 C235 V238	P130-V209 HydrophobicContact CB-CB 4.22Å; P130-V209 HydrophobicContact CB-CG2 3.94Å; P130-L210 WeakPolarHBondContact CD-O 3.37Å; P130-L210 VanDerWaalsContact CG-O 3.28Å; P130-L210 WeakPolarHBondContact CG-O 3.39Å; P130-I234 HydrophobicContact CG-CG2 4.29Å; P130-C235 HydrophobicContact CG-CB 4.16Å; P130-V238 HydrophobicContact CG-CG2 4.2Å; P130-V238 WeakPolarHBondContact O-CG2 3.19Å
131	N	98.1	Very high	98.1	Very high	134 Å²	134	52.7 Å²	52.7	72%	0.717	32%	0.321	S	S	*	.	S	Bend	trans	-89.6	-32.9	166.1	-63.9	-42.8	0	0	0	111.3
132	D	98.2	Very high	98	Very high	127 Å²	127	50.5 Å²	50.5	68%	0.679	31%	0.307	S	S	*	.	S	Bend	trans	-132.1	159.6	-174.7	-65.1	-79.3	0	0	0	111.8	Q211	D132-Q211 PolarHBondContact O-NE2 3.41Å; D132-Q211 PolarHBondContact O-OE1 2.85Å
133	C	98.5	Very high	98	Very high	46 Å²	46	46.3 Å²	46.3	31%	0.311	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-82.2	124.4	-178.6	-62.2	0	0	0	0	111.7	T135 Y233 C235	C133-T135 PolarHBondContact O-N 2.97Å; C133-Y233 WeakPolarHBondContact CA-OH 3.26Å; C133-Y233 HydrophobicContact CB-CE1 4.22Å; C133-Y233 HydrophobicContact CB-CE2 4Å; C133-Y233 VanDerWaalsContact CB-OH 3.26Å; C133-Y233 WeakPolarHBondContact CB-OH 3.48Å; C133-C235 WeakPolarHBondContact CA-SG 3.49Å; C133-C235 HydrophobicContact CB-CB 3.92Å; C133-C235 WeakPolarHBondContact CB-SG 3.44Å; C133-C235 WeakPolarHBondContact SG-CB 3.06Å; C133-C235 CovalentContact SG-SG 2.04Å; C133-C235 PolarHBondContact SG-SG 3.43Å
134	A	98.2	Very high	97.8	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-61.4	124.9	176.8	0	0	0	0	0	114.4	T138 I166 C206 Q211 Y233	A134-T138 HydrophobicContact CB-CG2 4.1Å; A134-I166 HydrophobicContact CB-CG1 4.08Å; A134-C206 HydrophobicContact CB-CB 4.49Å; A134-Q211 HydrophobicContact CB-CB 4.39Å; A134-Q211 HydrophobicContact CB-CG 3.77Å; A134-Q211 VanDerWaalsContact N-OE1 3.13Å; A134-Y233 PolarHBondContact N-OH 3.27Å; A134-Y233 PolarHBondContact O-OH 2.02Å
135	T	97.9	Very high	97.6	Very high	104 Å²	104	46.5 Å²	46.5	64%	0.638	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-79.9	163	-177.8	49.1	0	0	0	0	112.6	C133 G137 T138 I166	C133-T135 PolarHBondContact O-N 2.97Å; T135-G137 PolarHBondContact O-N 2.81Å; T135-T138 PolarHBondContact N-OG1 2.88Å; T135-T138 WeakPolarHBondContact O-CB 3.33Å; T135-T138 PolarHBondContact O-N 3.4Å; T135-T138 PolarHBondContact O-OG1 3.25Å; T135-I166 WeakPolarHBondContact O-CB 3.35Å
136	A	98.3	Very high	96.8	Very high	59 Å²	59	42.5 Å²	42.5	49%	0.488	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.9	175.4	0	0	0	0	0	111.7	T138 I166	A136-T138 VanDerWaalsContact C-N 3.29Å; A136-I166 WeakPolarHBondContact CA-O 3.22Å
137	G	98	Very high	95.5	Very high	55 Å²	55	43 Å²	43	57%	0.567	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	2.2	-172.7	0	0	0	0	0	114.9	T135 E139 I166	T135-G137 PolarHBondContact O-N 2.81Å; G137-E139 PolarHBondContact O-N 3.32Å; G137-I166 PolarHBondContact N-O 3.41Å
138	T	98.6	Very high	93.9	Very high	39 Å²	39	43.2 Å²	43.2	24%	0.239	26%	0.261	C	S	.	.			trans	-67.8	127.5	168.5	-57.1	0	0	0	0	109.4	A134 T135 A136 S165 I166 C206	A134-T138 HydrophobicContact CB-CG2 4.1Å; T135-T138 PolarHBondContact N-OG1 2.88Å; T135-T138 WeakPolarHBondContact O-CB 3.33Å; T135-T138 PolarHBondContact O-N 3.4Å; T135-T138 PolarHBondContact O-OG1 3.25Å; A136-T138 VanDerWaalsContact C-N 3.29Å; T138-S165 CarbonylContact O-C 3.57Å; T138-S165 WeakPolarHBondContact O-CA 3.37Å; T138-I166 PolarHBondContact O-N 3.42Å; T138-C206 HydrophobicContact CG2-CB 3.84Å
139	E	98	Very high	92	Very high	115 Å²	115	43.2 Å²	43.2	54%	0.537	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.3	173.4	-67	-58.6	110.4	0	0	111.5	G137 S165	G137-E139 PolarHBondContact O-N 3.32Å; E139-S165 VanDerWaalsContact OE1-CB 3.28Å; E139-S165 WeakPolarHBondContact OE1-CB 3.43Å; E139-S165 PolarHBondContact OE1-OG 2.97Å
140	C	97.9	Very high	89.8	Confident	7 Å²	7	44.9 Å²	44.9	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	171.5	-178.3	-52.5	0	0	0	0	110.6	N163 L164 I166 L204 V205 C206	C140-N163 WeakPolarHBondContact O-CA 3.25Å; C140-L164 CarbonylContact C-O 3.44Å; C140-L164 WeakPolarHBondContact CA-O 3.46Å; C140-L164 WeakPolarHBondContact CB-O 3.35Å; C140-L164 PolarHBondContact N-O 3.38Å; C140-L164 PolarHBondContact O-N 3.11Å; C140-I166 WeakPolarHBondContact SG-CD1 3.3Å; C140-I166 VanDerWaalsContact SG-CG1 3.57Å; C140-L204 HydrophobicContact CB-CD1 3.64Å; C140-L204 HydrophobicContact CB-CG 4.25Å; C140-V205 CarbonylContact C-O 3.59Å; C140-V205 WeakPolarHBondContact CA-O 3.26Å; C140-V205 VanDerWaalsContact CB-O 3.29Å; C140-V205 WeakPolarHBondContact CB-O 3.5Å; C140-C206 HydrophobicContact CB-CB 3.93Å; C140-C206 WeakPolarHBondContact CB-SG 3.27Å; C140-C206 WeakPolarHBondContact SG-CB 3.35Å; C140-C206 CovalentContact SG-SG 2.03Å; C140-C206 PolarHBondContact SG-SG 3.2Å
141	H	95.4	Very high	87.9	Confident	47 Å²	47	50.3 Å²	50.3	22%	0.218	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.8	165.7	64.5	-89.6	0	0	0	111.8	Q33 W35 L162 V205	Q33-H141 PolarHBondContact NE2-NE2 3.23Å; Q33-H141 PolarHBondContact OE1-CD2 2.76Å; Q33-H141 PolarHBondContact OE1-NE2 2.82Å; W35-H141 AromaticContact CE2-NE2 3.89Å; W35-H141 AromaticContact CZ2-NE2 3.11Å; W35-H141 WeakPolarHBondContact CZ2-NE2 3.32Å; H141-L162 CarbonylContact C-O 3.47Å; H141-L162 WeakPolarHBondContact CA-O 3.44Å; H141-V205 VanDerWaalsContact CE1-CG1 3.42Å; H141-V205 WeakPolarHBondContact CE1-CG1 3.12Å; H141-V205 PolarHBondContact N-O 3.09Å; H141-V205 PolarHBondContact O-N 3.26Å
142	V	96.2	Very high	85.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.2	171.8	66.7	0	0	0	0	109.3	C161 L162 L164 A195 P203 V214 Y231	V142-C161 WeakPolarHBondContact O-CA 3.28Å; V142-L162 HydrophobicContact CG1-CB 3.93Å; V142-L162 HydrophobicContact CG1-CD2 4.36Å; V142-L162 HydrophobicContact CG1-CG 4.44Å; V142-L162 PolarHBondContact N-O 2.99Å; V142-L162 PolarHBondContact O-N 3.4Å; V142-L164 HydrophobicContact CB-CD2 4.27Å; V142-L164 HydrophobicContact CG1-CD2 3.57Å; V142-A195 HydrophobicContact CG1-CB 4.44Å; V142-A195 HydrophobicContact CG2-CB 4.02Å; V142-P203 WeakPolarHBondContact CA-O 3.28Å; V142-P203 WeakPolarHBondContact CG2-O 3.5Å; V142-V214 HydrophobicContact CG2-CG2 3.7Å; V142-Y231 HydrophobicContact CG2-CE1 4.27Å
143	S	95.9	Very high	84.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.5	176.1	56.9	0	0	0	0	113.2	Q36 Q160	Q36-S143 PolarHBondContact OE1-O 3.18Å; Q36-S143 VanDerWaalsContact OE1-O 3.1Å; Q36-S143 PolarHBondContact OE1-OG 3.34Å; S143-Q160 WeakPolarHBondContact CA-O 3.35Å; S143-Q160 WeakPolarHBondContact CB-O 3.12Å
144	G	95.2	Very high	82.7	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-173.1	177.1	0	0	0	0	0	114.8	Q160 D199	G144-Q160 PolarHBondContact N-O 3.1Å; G144-Q160 VanDerWaalsContact N-O 3.08Å; G144-Q160 PolarHBondContact O-N 3.21Å; G144-D199 VanDerWaalsContact CA-OD1 3.27Å; G144-D199 WeakPolarHBondContact CA-OD1 3.06Å
145	W	92.7	Very high	81.7	Confident	4 Å²	4	56 Å²	56	2%	0.015	31%	0.308	C	S	.	.	S	Bend	trans	-121.6	25	178.1	-57.1	-89.9	0	0	0	111.5	Q36 L45 E74 L77 P156 L159 D199	Q36-W145 HydrophobicContact CG-CE3 4.46Å; Q36-W145 HydrophobicContact CG-CH2 3.54Å; Q36-W145 HydrophobicContact CG-CZ2 4.47Å; Q36-W145 HydrophobicContact CG-CZ3 3.54Å; L45-W145 HydrophobicContact CD2-CB 3.75Å; E74-W145 HydrophobicContact CB-CH2 3.81Å; E74-W145 HydrophobicContact CB-CZ2 3.57Å; E74-W145 WeakPolarHBondContact O-CZ2 3.39Å; L77-W145 HydrophobicContact CD1-CB 3.82Å; L77-W145 HydrophobicContact CD1-CD2 4.26Å; L77-W145 HydrophobicContact CD1-CG 3.72Å; L77-W145 HydrophobicContact CD2-CD2 3.85Å; L77-W145 HydrophobicContact CD2-CE3 4.39Å; L77-W145 HydrophobicContact CD2-CG 4.13Å; L77-W145 HydrophobicContact CD2-CZ2 4.01Å; L77-W145 HydrophobicContact CG-CD2 4.19Å; L77-W145 HydrophobicContact CG-CG 3.93Å; W145-P156 WeakPolarHBondContact O-CD 3.46Å; W145-L159 HydrophobicContact CD2-CD1 3.71Å; W145-L159 HydrophobicContact CE3-CD1 3.99Å; W145-L159 HydrophobicContact CG-CD1 4.32Å; W145-L159 HydrophobicContact CH2-CD1 3.94Å; W145-L159 HydrophobicContact CZ2-CB 4.04Å; W145-L159 HydrophobicContact CZ2-CD1 3.65Å; W145-L159 HydrophobicContact CZ2-CG 4.27Å; W145-L159 HydrophobicContact CZ3-CD1 4.11Å; W145-D199 PolarHBondContact N-OD1 2.92Å
146	G	82.4	Confident	81.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.			trans	-68.7	179.7	174.9	0	0	0	0	0	113.4	T148 P156 Q197 D199	G146-T148 WeakPolarHBondContact O-CG2 3.04Å; G146-T148 PolarHBondContact O-N 2.9Å; G146-P156 VanDerWaalsContact O-CD 3.27Å; G146-P156 WeakPolarHBondContact O-CD 3.19Å; G146-Q197 CarbonylContact C-O 3.49Å; G146-Q197 VanDerWaalsContact CA-O 3.22Å; G146-Q197 WeakPolarHBondContact CA-O 3.44Å; G146-D199 VanDerWaalsContact CA-OD1 3.3Å; G146-D199 WeakPolarHBondContact CA-OD1 3.11Å; G146-D199 PolarHBondContact N-OD1 2.91Å
147	I	72	Confident	80.6	Confident	50 Å²	50	51.3 Å²	51.3	26%	0.256	27%	0.272	S	S	.	.			trans	-60	136.8	-174.3	-75	178	0	0	0	112.3	P154 F155 C196 Q197	I147-P154 CarbonylContact C-O 3.51Å; I147-P154 HydrophobicContact CG1-CB 4.39Å; I147-P154 HydrophobicContact CG2-CB 4.17Å; I147-F155 HydrophobicContact CD1-CE1 4.21Å; I147-F155 HydrophobicContact CD1-CE2 4.29Å; I147-F155 HydrophobicContact CD1-CZ 3.71Å; I147-F155 HydrophobicContact CG1-CD1 4.13Å; I147-F155 HydrophobicContact CG1-CE1 3.49Å; I147-F155 VanDerWaalsContact CG1-CE1 3.49Å; I147-F155 HydrophobicContact CG1-CE2 4.08Å; I147-F155 HydrophobicContact CG1-CZ 3.46Å; I147-F155 VanDerWaalsContact CG1-CZ 3.46Å; I147-C196 HydrophobicContact CB-CB 4.49Å; I147-C196 VanDerWaalsContact O-CB 3.27Å; I147-C196 WeakPolarHBondContact O-CB 3.27Å; I147-Q197 HydrophobicContact CB-CB 4.47Å; I147-Q197 HydrophobicContact CD1-CB 4Å; I147-Q197 HydrophobicContact CD1-CG 4.18Å; I147-Q197 HydrophobicContact CG1-CB 4.35Å; I147-Q197 PolarHBondContact N-O 2.8Å
148	T	64	Low	80.4	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.037	26%	0.256	C	S	.	.			trans	-119.7	151.6	176.4	80.3	0	0	0	0	107.6	K21 G146 H150 P154 P156	K21-T148 VanDerWaalsContact C-CG2 3.45Å; K21-T148 VanDerWaalsContact O-CB 3.28Å; K21-T148 WeakPolarHBondContact O-CB 3.48Å; K21-T148 WeakPolarHBondContact O-CG2 3.24Å; G146-T148 WeakPolarHBondContact O-CG2 3.04Å; G146-T148 PolarHBondContact O-N 2.9Å; T148-H150 PolarHBondContact O-N 2.85Å; T148-H150 VanDerWaalsContact O-N 3.08Å; T148-H150 PolarHBondContact OG1-N 2.97Å; T148-P154 WeakPolarHBondContact CA-O 3.41Å; T148-P154 WeakPolarHBondContact CB-O 3.29Å; T148-P154 VanDerWaalsContact CG2-O 3.32Å; T148-P154 WeakPolarHBondContact CG2-O 3.38Å; T148-P154 PolarHBondContact N-O 3.39Å; T148-P154 WeakPolarHBondContact O-CA 3.22Å; T148-P154 PolarHBondContact OG1-O 3.01Å; T148-P156 HydrophobicContact CG2-CB 3.95Å; T148-P156 HydrophobicContact CG2-CG 3.62Å
149	N	60.3	Low	80.2	Confident	72 Å²	72	49.3 Å²	49.3	39%	0.385	25%	0.246	S	C	.	.			trans	-83.4	31.7	174.2	-35.3	-8.2	0	0	0	111.8	K21 F23 P151	K21-N149 HydrophobicContact CD-CB 3.62Å; F23-N149 WeakPolarHBondContact CD2-ND2 3.21Å; F23-N149 WeakPolarHBondContact CE2-ND2 3.39Å; N149-P151 VanDerWaalsContact O-CD 3.25Å; N149-P151 WeakPolarHBondContact O-CD 3.25Å
150	H	52.4	Low	80	Confident	62 Å²	62	44.5 Å²	44.5	29%	0.287	22%	0.224	S	C	.	.			trans	-72.5	109.6	168	-171.6	75.4	0	0	0	108.4	T148 R152 N153	T148-H150 PolarHBondContact O-N 2.85Å; T148-H150 VanDerWaalsContact O-N 3.08Å; T148-H150 PolarHBondContact OG1-N 2.97Å; H150-R152 PolarHBondContact O-N 2.92Å; H150-N153 CarbonylContact O-C 3.53Å; H150-N153 VanDerWaalsContact O-C 3.32Å; H150-N153 PolarHBondContact O-N 2.11Å
151	P	57.3	Low	79.8	Confident	115 Å²	115	44.9 Å²	44.9	75%	0.747	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.4	-159.9	27.4	-36.4	0	0	0	114.6	N149	N149-P151 VanDerWaalsContact O-CD 3.25Å; N149-P151 WeakPolarHBondContact O-CD 3.25Å
152	R	55.7	Low	79.6	Confident	210 Å²	210	42.9 Å²	42.9	79%	0.792	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-19.1	177	-66.7	-173.2	-64.3	-103.9	-0.3	114.4	H150	H150-R152 PolarHBondContact O-N 2.92Å
153	N	62	Low	79.5	Confident	82 Å²	82	48.1 Å²	48.1	44%	0.439	25%	0.245	S	C	.	.			trans	-153.2	90.8	-179.8	-178.1	22.8	0	0	0	108.7	H150 F155	H150-N153 CarbonylContact O-C 3.53Å; H150-N153 VanDerWaalsContact O-C 3.32Å; H150-N153 PolarHBondContact O-N 2.11Å; N153-F155 VanDerWaalsContact C-N 3.25Å; N153-F155 PolarHBondContact ND2-O 3.47Å; N153-F155 PolarHBondContact O-N 3Å; N153-F155 PolarHBondContact OD1-O 2.71Å; N153-F155 VanDerWaalsContact OD1-O 3.12Å
154	P	69.5	Low	79.5	Confident	53 Å²	53	48.3 Å²	48.3	34%	0.344	25%	0.246	S	C	.	.	S	Bend	trans	-66.5	-26.2	-174.8	25.3	-33.4	0	0	0	112.7	I147 T148	I147-P154 CarbonylContact C-O 3.51Å; I147-P154 HydrophobicContact CG1-CB 4.39Å; I147-P154 HydrophobicContact CG2-CB 4.17Å; T148-P154 WeakPolarHBondContact CA-O 3.41Å; T148-P154 WeakPolarHBondContact CB-O 3.29Å; T148-P154 VanDerWaalsContact CG2-O 3.32Å; T148-P154 WeakPolarHBondContact CG2-O 3.38Å; T148-P154 PolarHBondContact N-O 3.39Å; T148-P154 WeakPolarHBondContact O-CA 3.22Å; T148-P154 PolarHBondContact OG1-O 3.01Å
155	F	76.8	Confident	79.6	Confident	95 Å²	95	50.4 Å²	50.4	42%	0.417	26%	0.26	S	S	.	.	S	Bend	trans	-93.6	125.1	177.2	-64.6	-80.9	0	0	0	110.4	I147 N153	I147-F155 HydrophobicContact CD1-CE1 4.21Å; I147-F155 HydrophobicContact CD1-CE2 4.29Å; I147-F155 HydrophobicContact CD1-CZ 3.71Å; I147-F155 HydrophobicContact CG1-CD1 4.13Å; I147-F155 HydrophobicContact CG1-CE1 3.49Å; I147-F155 VanDerWaalsContact CG1-CE1 3.49Å; I147-F155 HydrophobicContact CG1-CE2 4.08Å; I147-F155 HydrophobicContact CG1-CZ 3.46Å; I147-F155 VanDerWaalsContact CG1-CZ 3.46Å; N153-F155 VanDerWaalsContact C-N 3.25Å; N153-F155 PolarHBondContact ND2-O 3.47Å; N153-F155 PolarHBondContact O-N 3Å; N153-F155 PolarHBondContact OD1-O 2.71Å; N153-F155 VanDerWaalsContact OD1-O 3.12Å
156	P	83.8	Confident	79.8	Confident	17 Å²	17	50.6 Å²	50.6	11%	0.11	26%	0.262	C	S	.	.			trans	-79.1	137.5	-179.4	34.2	-26	0	0	0	108.4	W145 G146 T148 L158 Q160	W145-P156 WeakPolarHBondContact O-CD 3.46Å; G146-P156 VanDerWaalsContact O-CD 3.27Å; G146-P156 WeakPolarHBondContact O-CD 3.19Å; T148-P156 HydrophobicContact CG2-CB 3.95Å; T148-P156 HydrophobicContact CG2-CG 3.62Å; P156-L158 VanDerWaalsContact C-N 3.31Å; P156-Q160 HydrophobicContact CB-CG 3.85Å; P156-Q160 HydrophobicContact CG-CG 3.67Å
157	D	89.6	Confident	80.6	Confident	47 Å²	47	51.9 Å²	51.9	25%	0.251	27%	0.27	S	S	.	.	S	Bend	trans	-67.2	-38.6	171.8	176.1	66.3	0	0	0	111.2	S76 L77 S78	S76-D157 CarbonylContact C-O 3.51Å; S76-D157 VanDerWaalsContact CA-O 3.32Å; S76-D157 WeakPolarHBondContact CA-O 2.98Å; S76-D157 WeakPolarHBondContact CB-OD2 3.36Å; S76-D157 PolarHBondContact OG-OD1 3.41Å; S76-D157 PolarHBondContact OG-OD2 2.9Å; L77-D157 PolarHBondContact N-O 2.68Å; L77-D157 PolarHBondContact N-OD1 3.19Å; S78-D157 WeakPolarHBondContact CB-OD1 3.39Å; S78-D157 PolarHBondContact N-OD1 2.95Å; S78-D157 VanDerWaalsContact OG-CG 3.25Å; S78-D157 PolarHBondContact OG-OD1 3.16Å; S78-D157 PolarHBondContact OG-OD2 2.84Å
158	L	92.9	Very high	81.8	Confident	46 Å²	46	51.5 Å²	51.5	24%	0.241	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-93.2	142.7	-177.2	-53.3	178.6	0	0	0	111.3	E27 H75 P156 Q160	E27-L158 HydrophobicContact CG-CB 4.07Å; E27-L158 HydrophobicContact CG-CD1 4.2Å; E27-L158 WeakPolarHBondContact OE2-CD1 3.43Å; H75-L158 CarbonylContact O-C 3.57Å; H75-L158 WeakPolarHBondContact O-CA 3.45Å; P156-L158 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.01Å; L158-Q160 PolarHBondContact O-NE2 2.94Å
159	L	94.2	Very high	83.4	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.1	127.7	178.4	-175.7	68.5	0	0	0	111.1	C28 Q33 Q36 H75 W145	C28-L159 HydrophobicContact CB-CB 4.49Å; C28-L159 HydrophobicContact CB-CD2 4.18Å; C28-L159 HydrophobicContact CB-CG 4.3Å; C28-L159 PolarHBondContact N-O 2.78Å; C28-L159 VanDerWaalsContact SG-CG 3.57Å; Q33-L159 HydrophobicContact CB-CD2 3.83Å; Q33-L159 HydrophobicContact CG-CD2 3.95Å; Q36-L159 HydrophobicContact CB-CD2 4.36Å; Q36-L159 HydrophobicContact CG-CD1 3.78Å; Q36-L159 HydrophobicContact CG-CD2 4.14Å; H75-L159 PolarHBondContact O-N 3Å; W145-L159 HydrophobicContact CD2-CD1 3.71Å; W145-L159 HydrophobicContact CE3-CD1 3.99Å; W145-L159 HydrophobicContact CG-CD1 4.32Å; W145-L159 HydrophobicContact CH2-CD1 3.94Å; W145-L159 HydrophobicContact CZ2-CB 4.04Å; W145-L159 HydrophobicContact CZ2-CD1 3.65Å; W145-L159 HydrophobicContact CZ2-CG 4.27Å; W145-L159 HydrophobicContact CZ3-CD1 4.11Å
160	Q	93.9	Very high	85.2	Confident	14 Å²	14	55.9 Å²	55.9	7%	0.065	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.9	178.5	-57.4	-58	-70.9	0	0	111	K21 I22 T26 C28 S143 G144 P156 L158	K21-Q160 PolarHBondContact O-OE1 2.89Å; I22-Q160 HydrophobicContact CB-CB 4.1Å; I22-Q160 HydrophobicContact CD1-CB 3.79Å; I22-Q160 HydrophobicContact CG1-CB 3.81Å; I22-Q160 HydrophobicContact CG1-CG 4.48Å; T26-Q160 CarbonylContact O-C 3.48Å; T26-Q160 WeakPolarHBondContact O-CA 3.29Å; C28-Q160 PolarHBondContact SG-O 3.37Å; C28-Q160 VanDerWaalsContact SG-O 3.38Å; S143-Q160 WeakPolarHBondContact CA-O 3.35Å; S143-Q160 WeakPolarHBondContact CB-O 3.12Å; G144-Q160 PolarHBondContact N-O 3.1Å; G144-Q160 VanDerWaalsContact N-O 3.08Å; G144-Q160 PolarHBondContact O-N 3.21Å; P156-Q160 HydrophobicContact CB-CG 3.85Å; P156-Q160 HydrophobicContact CG-CG 3.67Å; L158-Q160 PolarHBondContact O-N 3.01Å; L158-Q160 PolarHBondContact O-NE2 2.94Å
161	C	93.4	Very high	87.3	Confident	15 Å²	15	56.7 Å²	56.7	10%	0.101	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138	178.1	-84.6	0	0	0	0	109.7	G25 T26 C28 V142	G25-C161 CarbonylContact C-O 3.47Å; G25-C161 WeakPolarHBondContact CA-O 3.24Å; T26-C161 PolarHBondContact N-O 2.94Å; T26-C161 PolarHBondContact O-N 2.9Å; C28-C161 HydrophobicContact CB-CB 4.05Å; C28-C161 WeakPolarHBondContact CB-SG 3.27Å; C28-C161 VanDerWaalsContact SG-CA 3.57Å; C28-C161 WeakPolarHBondContact SG-CB 3.28Å; C28-C161 PolarHBondContact SG-N 3.31Å; C28-C161 VanDerWaalsContact SG-N 3.35Å; C28-C161 CovalentContact SG-SG 2.03Å; C28-C161 PolarHBondContact SG-SG 2.89Å; V142-C161 WeakPolarHBondContact O-CA 3.28Å
162	L	92.4	Very high	89.2	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.4	173.8	170.1	66.1	0	0	0	110	I22 H141 V142 L164 Q193 D194	I22-L162 HydrophobicContact CG2-CB 3.85Å; I22-L162 HydrophobicContact CG2-CD2 3.88Å; H141-L162 CarbonylContact C-O 3.47Å; H141-L162 WeakPolarHBondContact CA-O 3.44Å; V142-L162 HydrophobicContact CG1-CB 3.93Å; V142-L162 HydrophobicContact CG1-CD2 4.36Å; V142-L162 HydrophobicContact CG1-CG 4.44Å; V142-L162 PolarHBondContact N-O 2.99Å; V142-L162 PolarHBondContact O-N 3.4Å; L162-L164 HydrophobicContact CD2-CD2 3.89Å; L162-L164 HydrophobicContact CG-CD2 4.08Å; L162-Q193 HydrophobicContact CD1-CB 4.08Å; L162-Q193 HydrophobicContact CD1-CG 3.92Å; L162-Q193 HydrophobicContact CD2-CB 3.96Å; L162-D194 VanDerWaalsContact CD2-N 3.32Å
163	N	93.6	Very high	91.2	Very high	110 Å²	110	45 Å²	45	59%	0.588	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.1	169.8	-64.9	-10.1	0	0	0	109.8	C140	C140-N163 WeakPolarHBondContact O-CA 3.25Å
164	L	94.9	Very high	92.9	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	149.7	-178	55	89.8	0	0	0	111.1	C140 V142 L162 A187 L204	C140-L164 CarbonylContact C-O 3.44Å; C140-L164 WeakPolarHBondContact CA-O 3.46Å; C140-L164 WeakPolarHBondContact CB-O 3.35Å; C140-L164 PolarHBondContact N-O 3.38Å; C140-L164 PolarHBondContact O-N 3.11Å; V142-L164 HydrophobicContact CB-CD2 4.27Å; V142-L164 HydrophobicContact CG1-CD2 3.57Å; L162-L164 HydrophobicContact CD2-CD2 3.89Å; L162-L164 HydrophobicContact CG-CD2 4.08Å; L164-A187 HydrophobicContact CD1-CB 3.23Å; L164-L204 HydrophobicContact CD1-CD1 3.65Å
165	S	97	Very high	94.1	Very high	45 Å²	45	43.5 Å²	43.5	32%	0.315	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150.2	-177.4	-33.7	0	0	0	0	112.3	T138 E139 V167 A187 G188	T138-S165 CarbonylContact O-C 3.57Å; T138-S165 WeakPolarHBondContact O-CA 3.37Å; E139-S165 VanDerWaalsContact OE1-CB 3.28Å; E139-S165 WeakPolarHBondContact OE1-CB 3.43Å; E139-S165 PolarHBondContact OE1-OG 2.97Å; S165-V167 PolarHBondContact O-N 3.47Å; S165-A187 VanDerWaalsContact O-CA 3.29Å; S165-A187 WeakPolarHBondContact O-CA 3.39Å; S165-A187 WeakPolarHBondContact O-CB 3.21Å; S165-G188 PolarHBondContact O-N 3.11Å
166	I	98.5	Very high	95.1	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.6	169.2	-59.7	-57.2	0	0	0	110.4	A134 T135 A136 G137 T138 C140 V185 A187 L204	A134-I166 HydrophobicContact CB-CG1 4.08Å; T135-I166 WeakPolarHBondContact O-CB 3.35Å; A136-I166 WeakPolarHBondContact CA-O 3.22Å; G137-I166 PolarHBondContact N-O 3.41Å; T138-I166 PolarHBondContact O-N 3.42Å; C140-I166 WeakPolarHBondContact SG-CD1 3.3Å; C140-I166 VanDerWaalsContact SG-CG1 3.57Å; I166-V185 HydrophobicContact CD1-CG2 4.01Å; I166-V185 HydrophobicContact CG2-CG2 3.71Å; I166-A187 HydrophobicContact CD1-CB 4.01Å; I166-L204 HydrophobicContact CD1-CD2 3.93Å
167	V	97.9	Very high	95.6	Very high	28 Å²	28	43.2 Å²	43.2	17%	0.17	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145	175.7	172.8	0	0	0	0	110	S165 T171 C186 G188 P228	S165-V167 PolarHBondContact O-N 3.47Å; V167-T171 HydrophobicContact CG1-CG2 3.59Å; V167-C186 HydrophobicContact CB-CB 3.97Å; V167-C186 HydrophobicContact CG1-CB 4.38Å; V167-C186 PolarHBondContact N-O 2.88Å; V167-G188 WeakPolarHBondContact CG2-O 3.11Å; V167-P228 HydrophobicContact CG1-CG 4.49Å; V167-P228 HydrophobicContact CG2-CB 4.11Å; V167-P228 HydrophobicContact CG2-CG 4.5Å
168	S	98	Very high	95.9	Very high	41 Å²	41	44.3 Å²	44.3	29%	0.287	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-60.9	146.4	-180	93.3	0	0	0	0	112	A170 T171 C172	S168-A170 PolarHBondContact O-N 3.29Å; S168-T171 PolarHBondContact O-N 3.38Å; S168-T171 VanDerWaalsContact O-N 3.09Å; S168-T171 WeakPolarHBondContact OG-CB 3.4Å; S168-T171 PolarHBondContact OG-N 2.62Å; S168-T171 PolarHBondContact OG-OG1 2.81Å; S168-C172 WeakPolarHBondContact O-CB 3.46Å; S168-C172 PolarHBondContact O-N 3.17Å
169	H	97.4	Very high	96	Very high	94 Å²	94	48.4 Å²	48.4	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-37.5	179.1	-170.4	-93.6	0	0	0	112.2	C172 H173 T181	H169-C172 WeakPolarHBondContact O-CB 3.49Å; H169-C172 PolarHBondContact O-N 3.45Å; H169-H173 WeakPolarHBondContact O-CB 3.46Å; H169-H173 PolarHBondContact O-N 3.05Å; H169-T181 PolarHBondContact NE2-O 2.82Å
170	A	97.7	Very high	96.2	Very high	77 Å²	77	48.7 Å²	48.7	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-63.8	-43.1	174.2	0	0	0	0	0	112.7	S168 H173 G174	S168-A170 PolarHBondContact O-N 3.29Å; A170-H173 PolarHBondContact O-N 3.39Å; A170-G174 PolarHBondContact O-N 2.96Å
171	T	97.7	Very high	96.4	Very high	78 Å²	78	50 Å²	50	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-45.7	175.5	-51.6	0	0	0	0	110.9	V167 S168 H173 G174 V175	V167-T171 HydrophobicContact CG1-CG2 3.59Å; S168-T171 PolarHBondContact O-N 3.38Å; S168-T171 VanDerWaalsContact O-N 3.09Å; S168-T171 WeakPolarHBondContact OG-CB 3.4Å; S168-T171 PolarHBondContact OG-N 2.62Å; S168-T171 PolarHBondContact OG-OG1 2.81Å; T171-H173 PolarHBondContact O-N 2.98Å; T171-G174 PolarHBondContact O-N 3.11Å; T171-G174 VanDerWaalsContact O-N 3.12Å; T171-V175 WeakPolarHBondContact O-CG2 3.36Å; T171-V175 PolarHBondContact O-N 2.96Å
172	C	97.6	Very high	96.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-47.5	175.4	-173.5	0	0	0	0	111.5	S168 H169 V175 Y176 I180 C186	S168-C172 WeakPolarHBondContact O-CB 3.46Å; S168-C172 PolarHBondContact O-N 3.17Å; H169-C172 WeakPolarHBondContact O-CB 3.49Å; H169-C172 PolarHBondContact O-N 3.45Å; C172-V175 PolarHBondContact O-N 3.41Å; C172-Y176 PolarHBondContact O-N 3.14Å; C172-I180 HydrophobicContact CB-CG2 4.49Å; C172-C186 VanDerWaalsContact CA-SG 3.59Å; C172-C186 HydrophobicContact CB-CB 3.52Å; C172-C186 WeakPolarHBondContact CB-SG 3.45Å; C172-C186 WeakPolarHBondContact SG-CB 3.42Å; C172-C186 CovalentContact SG-SG 2.02Å; C172-C186 PolarHBondContact SG-SG 2.89Å
173	H	96.9	Very high	96.9	Very high	80 Å²	80	54.6 Å²	54.6	37%	0.37	34%	0.341	S	S	.	.	H	α-helix	trans	-68.5	-32.7	176.3	-166.5	97.4	0	0	0	112.8	H169 A170 T171 Y176 P177	H169-H173 WeakPolarHBondContact O-CB 3.46Å; H169-H173 PolarHBondContact O-N 3.05Å; A170-H173 PolarHBondContact O-N 3.39Å; T171-H173 PolarHBondContact O-N 2.98Å; H173-Y176 CarbonylContact O-C 3.23Å; H173-Y176 VanDerWaalsContact O-C 3.23Å; H173-Y176 PolarHBondContact O-N 3.12Å; H173-P177 VanDerWaalsContact O-CA 3.27Å; H173-P177 WeakPolarHBondContact O-CA 3.44Å; H173-P177 VanDerWaalsContact O-N 3.09Å
174	G	96.9	Very high	97.1	Very high	57 Å²	57	49.6 Å²	49.6	59%	0.588	31%	0.314	S	S	*	.	H	α-helix	trans	-65.4	-37.1	174.2	0	0	0	0	0	113.3	A170 T171	A170-G174 PolarHBondContact O-N 2.96Å; T171-G174 PolarHBondContact O-N 3.11Å; T171-G174 VanDerWaalsContact O-N 3.12Å
175	V	96.3	Very high	97.3	Very high	45 Å²	45	49.8 Å²	49.8	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-75.6	-35.3	174.4	177.3	0	0	0	0	111.8	T171 C172 P177 G226 I227	T171-V175 WeakPolarHBondContact O-CG2 3.36Å; T171-V175 PolarHBondContact O-N 2.96Å; C172-V175 PolarHBondContact O-N 3.41Å; V175-P177 VanDerWaalsContact C-CD 3.47Å; V175-P177 WeakPolarHBondContact O-CD 3.45Å; V175-G226 WeakPolarHBondContact CG2-O 3.25Å; V175-I227 HydrophobicContact CG1-CD1 3.58Å
176	Y	96.1	Very high	97.3	Very high	13 Å²	13	47.7 Å²	47.7	5%	0.051	30%	0.301	C	S	.	.	S	Bend	trans	-124.3	66.7	-177.2	-57.7	-66.3	0	0	0	113	C172 H173 G178 R179 I180 W216 I227 P228 V230	C172-Y176 PolarHBondContact O-N 3.14Å; H173-Y176 CarbonylContact O-C 3.23Å; H173-Y176 VanDerWaalsContact O-C 3.23Å; H173-Y176 PolarHBondContact O-N 3.12Å; Y176-G178 PolarHBondContact O-N 3.03Å; Y176-R179 PolarHBondContact O-N 3.46Å; Y176-R179 VanDerWaalsContact O-N 3.14Å; Y176-I180 HydrophobicContact CD2-CD1 3.94Å; Y176-I180 HydrophobicContact CD2-CG1 4.33Å; Y176-I180 HydrophobicContact CG-CD1 4.27Å; Y176-I180 HydrophobicContact CG-CG1 4.48Å; Y176-W216 HydrophobicContact CD1-CH2 4.07Å; Y176-W216 AromaticContact CD1-CZ3 3.92Å; Y176-W216 HydrophobicContact CD1-CZ3 3.92Å; Y176-W216 HydrophobicContact CD2-CH2 4.48Å; Y176-W216 HydrophobicContact CE1-CZ3 4.04Å; Y176-W216 HydrophobicContact CG-CH2 4.01Å; Y176-W216 HydrophobicContact CG-CZ3 4.29Å; Y176-I227 VanDerWaalsContact OH-CG2 3.24Å; Y176-I227 WeakPolarHBondContact OH-CG2 3.37Å; Y176-P228 HydrophobicContact CE2-CG 4.33Å; Y176-P228 WeakPolarHBondContact CE2-O 3.05Å; Y176-P228 PolarHBondContact OH-O 2.03Å; Y176-V230 HydrophobicContact CD2-CG2 3.96Å; Y176-V230 HydrophobicContact CE2-CG2 3.54Å
177	P	95.3	Very high	97.3	Very high	93 Å²	93	47.3 Å²	47.3	60%	0.604	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	131.9	-174.6	-27.4	35.8	0	0	0	113.2	H173 V175 R179	H173-P177 VanDerWaalsContact O-CA 3.27Å; H173-P177 WeakPolarHBondContact O-CA 3.44Å; H173-P177 VanDerWaalsContact O-N 3.09Å; V175-P177 VanDerWaalsContact C-CD 3.47Å; V175-P177 WeakPolarHBondContact O-CD 3.45Å; P177-R179 PolarHBondContact O-N 3.05Å; P177-R179 VanDerWaalsContact O-N 3.09Å
178	G	95.4	Very high	97.1	Very high	70 Å²	70	46.6 Å²	46.6	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	2.6	178.4	0	0	0	0	0	116.1	Y176	Y176-G178 PolarHBondContact O-N 3.03Å
179	R	95.9	Very high	96.7	Very high	132 Å²	132	45.3 Å²	45.3	50%	0.498	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.5	-177.1	-66.5	-179.1	62.5	-172.4	-3.2	114.7	Y176 P177 W216	Y176-R179 PolarHBondContact O-N 3.46Å; Y176-R179 VanDerWaalsContact O-N 3.14Å; P177-R179 PolarHBondContact O-N 3.05Å; P177-R179 VanDerWaalsContact O-N 3.09Å; R179-W216 HydrophobicContact CB-CH2 3.88Å; R179-W216 HydrophobicContact CB-CZ2 4.31Å
180	I	97.6	Very high	96.2	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.056	29%	0.289	C	S	.	.			trans	-105.3	125.6	179.8	-56.8	-60.6	0	0	0	110.4	C172 Y176 M184 W216 V230	C172-I180 HydrophobicContact CB-CG2 4.49Å; Y176-I180 HydrophobicContact CD2-CD1 3.94Å; Y176-I180 HydrophobicContact CD2-CG1 4.33Å; Y176-I180 HydrophobicContact CG-CD1 4.27Å; Y176-I180 HydrophobicContact CG-CG1 4.48Å; I180-M184 HydrophobicContact CD1-SD 4.21Å; I180-M184 HydrophobicContact CG2-CB 4.38Å; I180-W216 HydrophobicContact CD1-CH2 4.03Å; I180-W216 HydrophobicContact CD1-CZ2 3.73Å; I180-V230 HydrophobicContact CD1-CG1 3.97Å; I180-V230 HydrophobicContact CD1-CG2 4.09Å
181	T	97.6	Very high	95.6	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	28%	0.284	S	S	.	.			trans	-99.8	-179.3	176.5	71.6	0	0	0	0	111.4	E106 H169 N183 M184	E106-T181 HydrophobicContact CB-CG2 4.42Å; E106-T181 HydrophobicContact CG-CG2 4.12Å; E106-T181 VanDerWaalsContact OE2-CB 3.25Å; E106-T181 WeakPolarHBondContact OE2-CB 3.5Å; E106-T181 WeakPolarHBondContact OE2-CG2 3.09Å; E106-T181 PolarHBondContact OE2-OG1 2.91Å; H169-T181 PolarHBondContact NE2-O 2.82Å; T181-N183 PolarHBondContact O-N 3.42Å; T181-N183 PolarHBondContact OG1-N 3.21Å; T181-N183 VanDerWaalsContact OG1-N 3.12Å; T181-M184 HydrophobicContact CG2-CE 4.25Å
182	S	97.4	Very high	94.7	Very high	82 Å²	82	40.9 Å²	40.9	57%	0.573	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.7	170.6	50.2	0	0	0	0	114.4	K236	S182-K236 WeakPolarHBondContact O-CE 3.04Å
183	N	98.4	Very high	94	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	7.8	179.6	-55.3	-38.5	0	0	0	113.3	E106 T181 Y233 Y237	E106-N183 WeakPolarHBondContact OE1-CB 3.47Å; E106-N183 PolarHBondContact OE1-ND2 2.89Å; T181-N183 PolarHBondContact O-N 3.42Å; T181-N183 PolarHBondContact OG1-N 3.21Å; T181-N183 VanDerWaalsContact OG1-N 3.12Å; N183-Y233 WeakPolarHBondContact O-CB 3.29Å; N183-Y233 PolarHBondContact O-N 2.63Å; N183-Y237 HydrophobicContact CB-CE2 4.05Å; N183-Y237 WeakPolarHBondContact CB-OH 3.38Å
184	M	98.6	Very high	93.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	152.4	171.6	-64.2	177.5	-172.3	0	0	110.3	H105 E106 I180 T181 W216 V230 Y231	H105-M184 HydrophobicContact CB-CE 4.36Å; H105-M184 WeakPolarHBondContact O-CE 3.37Å; E106-M184 HydrophobicContact CB-CE 4.23Å; I180-M184 HydrophobicContact CD1-SD 4.21Å; I180-M184 HydrophobicContact CG2-CB 4.38Å; T181-M184 HydrophobicContact CG2-CE 4.25Å; M184-W216 HydrophobicContact SD-CZ2 4.08Å; M184-V230 HydrophobicContact CB-CG1 3.98Å; M184-V230 HydrophobicContact CG-CG1 4.24Å; M184-V230 HydrophobicContact SD-CG1 3.99Å; M184-Y231 WeakPolarHBondContact CA-O 3.33Å
185	V	98.5	Very high	92.8	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.3	169.4	65.4	0	0	0	0	109.4	I166 L204 Y231 Y233	I166-V185 HydrophobicContact CD1-CG2 4.01Å; I166-V185 HydrophobicContact CG2-CG2 3.71Å; V185-L204 HydrophobicContact CG1-CD2 4.39Å; V185-Y231 PolarHBondContact N-O 2.89Å; V185-Y231 PolarHBondContact O-N 3.09Å; V185-Y233 HydrophobicContact CB-CD1 3.77Å; V185-Y233 HydrophobicContact CB-CD2 4.19Å; V185-Y233 HydrophobicContact CB-CE1 3.97Å; V185-Y233 HydrophobicContact CB-CE2 4.39Å; V185-Y233 HydrophobicContact CB-CG 3.86Å; V185-Y233 HydrophobicContact CG1-CD1 4.46Å; V185-Y233 HydrophobicContact CG1-CD2 4.04Å; V185-Y233 HydrophobicContact CG1-CE2 4.44Å; V185-Y233 HydrophobicContact CG1-CG 4.04Å; V185-Y233 HydrophobicContact CG2-CD1 4.47Å; V185-Y233 HydrophobicContact CG2-CE1 4.16Å
186	C	98.1	Very high	92.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.4	171	-77.7	0	0	0	0	110.1	V167 C172 P228 G229	V167-C186 HydrophobicContact CB-CB 3.97Å; V167-C186 HydrophobicContact CG1-CB 4.38Å; V167-C186 PolarHBondContact N-O 2.88Å; C172-C186 VanDerWaalsContact CA-SG 3.59Å; C172-C186 HydrophobicContact CB-CB 3.52Å; C172-C186 WeakPolarHBondContact CB-SG 3.45Å; C172-C186 WeakPolarHBondContact SG-CB 3.42Å; C172-C186 CovalentContact SG-SG 2.02Å; C172-C186 PolarHBondContact SG-SG 2.89Å; C186-P228 HydrophobicContact CB-CB 3.94Å; C186-P228 HydrophobicContact CB-CG 3.76Å; C186-G229 WeakPolarHBondContact CA-O 3.21Å
187	A	97.5	Very high	91.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	151.3	172.5	0	0	0	0	0	111.3	L164 S165 I166 L204 P228 G229 Y231	L164-A187 HydrophobicContact CD1-CB 3.23Å; S165-A187 VanDerWaalsContact O-CA 3.29Å; S165-A187 WeakPolarHBondContact O-CA 3.39Å; S165-A187 WeakPolarHBondContact O-CB 3.21Å; I166-A187 HydrophobicContact CD1-CB 4.01Å; A187-L204 HydrophobicContact CB-CD2 4.12Å; A187-P228 WeakPolarHBondContact O-CB 3.29Å; A187-G229 PolarHBondContact N-O 2.95Å; A187-G229 VanDerWaalsContact N-O 3.13Å; A187-G229 PolarHBondContact O-N 2.85Å; A187-Y231 HydrophobicContact CB-CD2 4.28Å; A187-Y231 HydrophobicContact CB-CE2 3.86Å
188	G	94.7	Very high	90.9	Very high	13 Å²	13	36.7 Å²	36.7	13%	0.134	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-134.8	-173.2	0	0	0	0	0	113.1	S165 V167	S165-G188 PolarHBondContact O-N 3.11Å; V167-G188 WeakPolarHBondContact CG2-O 3.11Å
189	G	89.3	Confident	90.7	Very high	13 Å²	13	33.4 Å²	33.4	13%	0.134	19%	0.19	C	C	.	.			trans	85.1	10	-173.1	0	0	0	0	0	114.1	G226	G189-G226 WeakPolarHBondContact O-CA 3.45Å; G189-G226 PolarHBondContact O-N 2.89Å
190	V	87.5	Confident	90.7	Very high	69 Å²	69	27.6 Å²	27.6	42%	0.418	17%	0.17	S	C	.	.	S	Bend	trans	-75.7	138.4	164.5	175.9	0	0	0	0	107.9	G192 Q193	V190-G192 PolarHBondContact O-N 2.99Å; V190-Q193 HydrophobicContact CB-CB 4.06Å; V190-Q193 HydrophobicContact CB-CG 4.11Å; V190-Q193 HydrophobicContact CG1-CG 4.08Å; V190-Q193 PolarHBondContact O-N 3.13Å
191	P	84.2	Confident	90.7	Very high	82 Å²	82	27 Å²	27	53%	0.532	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	119.5	-179.4	5.9	-14.7	0	0	0	110.6	D225	P191-D225 HydrophobicContact CB-CB 3.89Å; P191-D225 VanDerWaalsContact CD-OD1 3.27Å; P191-D225 WeakPolarHBondContact CD-OD1 3.16Å; P191-D225 HydrophobicContact CG-CB 4.26Å; P191-D225 WeakPolarHBondContact CG-OD1 3.23Å
192	G	79.5	Confident	90.8	Very high	5 Å²	5	25 Å²	25	5%	0.052	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	40.5	-176.5	0	0	0	0	0	114.8	F23 N24 V190 G223	F23-G192 CarbonylContact C-O 3.52Å; F23-G192 VanDerWaalsContact CB-C 3.42Å; F23-G192 WeakPolarHBondContact CB-O 3.05Å; F23-G192 WeakPolarHBondContact CD1-O 3.39Å; F23-G192 VanDerWaalsContact CG-C 3.49Å; F23-G192 WeakPolarHBondContact CG-O 3.33Å; N24-G192 VanDerWaalsContact CB-O 3.27Å; N24-G192 WeakPolarHBondContact CB-O 3.47Å; N24-G192 PolarHBondContact N-O 3.13Å; V190-G192 PolarHBondContact O-N 2.99Å; G192-G223 WeakPolarHBondContact CA-O 3.25Å; G192-G223 PolarHBondContact N-O 3.3Å
193	Q	83.1	Confident	90.8	Very high	38 Å²	38	21.1 Å²	21.1	18%	0.178	13%	0.127	C	C	.	.			trans	-137.4	102.8	166.9	-66.5	-173.7	9.9	0	0	111.1	F23 N24 L162 V190	F23-Q193 WeakPolarHBondContact O-CA 3.2Å; N24-Q193 HydrophobicContact CB-CG 4.08Å; L162-Q193 HydrophobicContact CD1-CB 4.08Å; L162-Q193 HydrophobicContact CD1-CG 3.92Å; L162-Q193 HydrophobicContact CD2-CB 3.96Å; V190-Q193 HydrophobicContact CB-CB 4.06Å; V190-Q193 HydrophobicContact CB-CG 4.11Å; V190-Q193 HydrophobicContact CG1-CG 4.08Å; V190-Q193 PolarHBondContact O-N 3.13Å
194	D	83.4	Confident	90.8	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.043	12%	0.118	C	C	.	.			trans	-163.2	150.1	-176.4	-162.2	12.3	0	0	0	112.4	I22 L162 C222 G223 G229	I22-D194 VanDerWaalsContact CG2-O 3.22Å; I22-D194 WeakPolarHBondContact CG2-O 3.4Å; L162-D194 VanDerWaalsContact CD2-N 3.32Å; D194-C222 HydrophobicContact CB-CB 4.26Å; D194-C222 WeakPolarHBondContact OD2-CA 3.46Å; D194-G223 PolarHBondContact OD2-N 2.75Å; D194-G229 WeakPolarHBondContact OD1-CA 3.47Å
195	A	83.7	Confident	90.8	Very high	9 Å²	9	19.2 Å²	19.2	7%	0.074	12%	0.117	C	C	.	.			trans	-77.1	154.2	166.4	0	0	0	0	0	109.6	V142 D199 V214	V142-A195 HydrophobicContact CG1-CB 4.44Å; V142-A195 HydrophobicContact CG2-CB 4.02Å; A195-D199 HydrophobicContact CB-CB 4.23Å; A195-V214 HydrophobicContact CB-CG1 4.02Å; A195-V214 HydrophobicContact CB-CG2 4Å
196	C	84	Confident	90.8	Very high	19 Å²	19	19.1 Å²	19.1	13%	0.128	12%	0.116	C	C	.	.			trans	-139.7	-175.1	-170.7	-153.6	0	0	0	0	113.4	I147 G198 D199 C222	I147-C196 HydrophobicContact CB-CB 4.49Å; I147-C196 VanDerWaalsContact O-CB 3.27Å; I147-C196 WeakPolarHBondContact O-CB 3.27Å; C196-G198 PolarHBondContact O-N 2.94Å; C196-G198 VanDerWaalsContact O-N 3.14Å; C196-D199 PolarHBondContact N-OD2 3.18Å; C196-D199 WeakPolarHBondContact O-CB 3.18Å; C196-D199 PolarHBondContact O-N 3.18Å; C196-C222 WeakPolarHBondContact CA-SG 3.35Å; C196-C222 HydrophobicContact CB-CB 3.73Å; C196-C222 WeakPolarHBondContact CB-SG 3.32Å; C196-C222 WeakPolarHBondContact SG-CB 3.3Å; C196-C222 CovalentContact SG-SG 2.05Å; C196-C222 PolarHBondContact SG-SG 2.82Å
197	Q	81.9	Confident	90.8	Very high	121 Å²	121	23.1 Å²	23.1	57%	0.565	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	119.7	-175.6	178.6	61.8	63.3	0	0	111.6	G146 I147	G146-Q197 CarbonylContact C-O 3.49Å; G146-Q197 VanDerWaalsContact CA-O 3.22Å; G146-Q197 WeakPolarHBondContact CA-O 3.44Å; I147-Q197 HydrophobicContact CB-CB 4.47Å; I147-Q197 HydrophobicContact CD1-CB 4Å; I147-Q197 HydrophobicContact CD1-CG 4.18Å; I147-Q197 HydrophobicContact CG1-CB 4.35Å; I147-Q197 PolarHBondContact N-O 2.8Å
198	G	82.1	Confident	90.8	Very high	6 Å²	6	24.9 Å²	24.9	6%	0.062	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.2	-21.3	-175.5	0	0	0	0	0	114	C47 G48 C196 S200	C47-G198 CarbonylContact C-O 3.45Å; G48-G198 PolarHBondContact N-O 3.06Å; C196-G198 PolarHBondContact O-N 2.94Å; C196-G198 VanDerWaalsContact O-N 3.14Å; G198-S200 VanDerWaalsContact C-N 3.26Å
199	D	91.8	Very high	91	Very high	1 Å²	1	26 Å²	26	1%	0.005	18%	0.18	C	C	.	.			trans	-76.9	-14.3	170.5	-59.9	-44.4	0	0	0	112.3	G144 W145 G146 A195 C196 G201 G202 V214	G144-D199 VanDerWaalsContact CA-OD1 3.27Å; G144-D199 WeakPolarHBondContact CA-OD1 3.06Å; W145-D199 PolarHBondContact N-OD1 2.92Å; G146-D199 VanDerWaalsContact CA-OD1 3.3Å; G146-D199 WeakPolarHBondContact CA-OD1 3.11Å; G146-D199 PolarHBondContact N-OD1 2.91Å; A195-D199 HydrophobicContact CB-CB 4.23Å; C196-D199 PolarHBondContact N-OD2 3.18Å; C196-D199 WeakPolarHBondContact O-CB 3.18Å; C196-D199 PolarHBondContact O-N 3.18Å; D199-G201 PolarHBondContact O-N 3.12Å; D199-G202 VanDerWaalsContact O-CA 3.29Å; D199-G202 WeakPolarHBondContact O-CA 3.28Å; D199-G202 PolarHBondContact O-N 3.13Å; D199-V214 HydrophobicContact CB-CG1 4.22Å; D199-V214 HydrophobicContact CB-CG2 4.29Å; D199-V214 WeakPolarHBondContact O-CB 3.47Å
200	S	96	Very high	91.4	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.07	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.6	127.5	175.4	-68.5	0	0	0	0	113.3	C47 G48 H62 G198 G202	C47-S200 VanDerWaalsContact CB-O 3.27Å; C47-S200 WeakPolarHBondContact CB-O 3.43Å; G48-S200 WeakPolarHBondContact CA-O 3.34Å; G48-S200 PolarHBondContact N-O 3.43Å; H62-S200 PolarHBondContact CE1-OG 2.69Å; H62-S200 WeakPolarHBondContact NE2-CB 3.44Å; H62-S200 PolarHBondContact NE2-OG 3.05Å; G198-S200 VanDerWaalsContact C-N 3.26Å; S200-G202 PolarHBondContact O-N 2.87Å
201	G	98	Very high	92	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-5.2	-174.9	0	0	0	0	0	115.3	G49 A60 D199 L213 V214	G49-G201 VanDerWaalsContact CA-O 3.24Å; G49-G201 WeakPolarHBondContact CA-O 3.43Å; A60-G201 VanDerWaalsContact N-CA 3.28Å; D199-G201 PolarHBondContact O-N 3.12Å; G201-L213 WeakPolarHBondContact O-CD2 3.12Å; G201-V214 PolarHBondContact N-O 2.82Å
202	G	98	Very high	92.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.132	C	C	.	.			trans	-69.8	164.6	170.8	0	0	0	0	0	113	D199 S200 L213 V214	D199-G202 VanDerWaalsContact O-CA 3.29Å; D199-G202 WeakPolarHBondContact O-CA 3.28Å; D199-G202 PolarHBondContact O-N 3.13Å; S200-G202 PolarHBondContact O-N 2.87Å; G202-L213 WeakPolarHBondContact O-CA 3.44Å; G202-V214 PolarHBondContact O-N 2.93Å
203	P	98.4	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.8	-169.8	31.1	-34.2	0	0	0	113	V50 V142 V205 L210	V50-P203 HydrophobicContact CG1-CB 4.27Å; V50-P203 HydrophobicContact CG2-CB 3.6Å; V50-P203 HydrophobicContact CG2-CG 4.25Å; V142-P203 WeakPolarHBondContact CA-O 3.28Å; V142-P203 WeakPolarHBondContact CG2-O 3.5Å; P203-V205 HydrophobicContact CB-CG2 3.79Å; P203-V205 HydrophobicContact CG-CG2 4.41Å; P203-L210 HydrophobicContact CB-CD1 4.04Å
204	L	98.6	Very high	94.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.9	151.7	178.7	67.7	0	0	0	108	C140 L164 I166 V185 A187 Q211 G212 Y231	C140-L204 HydrophobicContact CB-CD1 3.64Å; C140-L204 HydrophobicContact CB-CG 4.25Å; L164-L204 HydrophobicContact CD1-CD1 3.65Å; I166-L204 HydrophobicContact CD1-CD2 3.93Å; V185-L204 HydrophobicContact CG1-CD2 4.39Å; A187-L204 HydrophobicContact CB-CD2 4.12Å; L204-Q211 PolarHBondContact O-N 3.46Å; L204-G212 PolarHBondContact N-O 3.19Å; L204-G212 PolarHBondContact O-N 3.18Å; L204-G212 VanDerWaalsContact O-N 3.12Å; L204-Y231 HydrophobicContact CB-CD1 3.67Å; L204-Y231 HydrophobicContact CB-CE1 3.86Å; L204-Y231 HydrophobicContact CB-CG 4.4Å; L204-Y231 HydrophobicContact CD1-CE1 4.17Å; L204-Y231 HydrophobicContact CD2-CD1 3.89Å; L204-Y231 HydrophobicContact CD2-CD2 4.03Å; L204-Y231 HydrophobicContact CD2-CE1 4.19Å; L204-Y231 HydrophobicContact CD2-CE2 4.36Å; L204-Y231 HydrophobicContact CD2-CG 3.82Å; L204-Y231 HydrophobicContact CG-CD1 4.27Å; L204-Y231 HydrophobicContact CG-CE1 4.3Å
205	V	98.7	Very high	94.9	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.7	-175.5	-169.3	0	0	0	0	109.4	W35 L127 C140 H141 P203 V209	W35-V205 HydrophobicContact CZ2-CG1 4.44Å; W35-V205 HydrophobicContact CZ2-CG2 4.2Å; L127-V205 HydrophobicContact CD1-CG1 3.98Å; L127-V205 HydrophobicContact CD2-CG1 4.25Å; L127-V205 HydrophobicContact CD2-CG2 3.69Å; C140-V205 CarbonylContact C-O 3.59Å; C140-V205 WeakPolarHBondContact CA-O 3.26Å; C140-V205 VanDerWaalsContact CB-O 3.29Å; C140-V205 WeakPolarHBondContact CB-O 3.5Å; H141-V205 VanDerWaalsContact CE1-CG1 3.42Å; H141-V205 WeakPolarHBondContact CE1-CG1 3.12Å; H141-V205 PolarHBondContact N-O 3.09Å; H141-V205 PolarHBondContact O-N 3.26Å; P203-V205 HydrophobicContact CB-CG2 3.79Å; P203-V205 HydrophobicContact CG-CG2 4.41Å; V205-V209 WeakPolarHBondContact CA-O 3.36Å
206	C	98.5	Very high	95.5	Very high	5 Å²	5	18 Å²	18	3%	0.034	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.7	173.1	-34.6	0	0	0	0	108.6	A134 T138 C140 G208 V209 Q211	A134-C206 HydrophobicContact CB-CB 4.49Å; T138-C206 HydrophobicContact CG2-CB 3.84Å; C140-C206 HydrophobicContact CB-CB 3.93Å; C140-C206 WeakPolarHBondContact CB-SG 3.27Å; C140-C206 WeakPolarHBondContact SG-CB 3.35Å; C140-C206 CovalentContact SG-SG 2.03Å; C140-C206 PolarHBondContact SG-SG 3.2Å; C206-G208 PolarHBondContact O-N 2.85Å; C206-G208 VanDerWaalsContact O-N 3.09Å; C206-V209 PolarHBondContact N-O 2.98Å; C206-V209 VanDerWaalsContact N-O 3.11Å; C206-V209 VanDerWaalsContact O-CG2 3.23Å; C206-V209 WeakPolarHBondContact O-CG2 3.34Å; C206-V209 PolarHBondContact O-N 3.36Å; C206-V209 VanDerWaalsContact O-N 3.13Å; C206-Q211 HydrophobicContact CB-CB 4.38Å; C206-Q211 HydrophobicContact CB-CG 3.79Å; C206-Q211 VanDerWaalsContact SG-CB 3.6Å
207	G	97.3	Very high	95.8	Very high	85 Å²	85	18.2 Å²	18.2	88%	0.876	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	23.7	-178.5	0	0	0	0	0	114.9
208	G	97.9	Very high	96	Very high	38 Å²	38	14.2 Å²	14.2	39%	0.392	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	10.2	-178.4	0	0	0	0	0	116	L127 P128 C206	L127-G208 WeakPolarHBondContact CD1-O 3.4Å; P128-G208 WeakPolarHBondContact CG-O 3.45Å; C206-G208 PolarHBondContact O-N 2.85Å; C206-G208 VanDerWaalsContact O-N 3.09Å
209	V	98.7	Very high	95.8	Very high	37 Å²	37	21 Å²	21	22%	0.224	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.8	175.6	-66.5	0	0	0	0	112.1	P128 P130 V205 C206 Q211	P128-V209 HydrophobicContact CB-CG1 4.32Å; P128-V209 HydrophobicContact CG-CG1 3.98Å; P128-V209 WeakPolarHBondContact O-CA 3.39Å; P130-V209 HydrophobicContact CB-CB 4.22Å; P130-V209 HydrophobicContact CB-CG2 3.94Å; V205-V209 WeakPolarHBondContact CA-O 3.36Å; C206-V209 PolarHBondContact N-O 2.98Å; C206-V209 VanDerWaalsContact N-O 3.11Å; C206-V209 VanDerWaalsContact O-CG2 3.23Å; C206-V209 WeakPolarHBondContact O-CG2 3.34Å; C206-V209 PolarHBondContact O-N 3.36Å; C206-V209 VanDerWaalsContact O-N 3.13Å; V209-Q211 HydrophobicContact CG2-CG 4.28Å; V209-Q211 PolarHBondContact O-N 2.96Å; V209-Q211 VanDerWaalsContact O-N 3.13Å
210	L	98.8	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	94.8	179	-177.2	57.7	0	0	0	112.1	V50 I52 L58 L127 P128 L129 P130 P203 G212 L213 I234	V50-L210 HydrophobicContact CB-CD1 4.47Å; V50-L210 HydrophobicContact CB-CD2 4.19Å; V50-L210 HydrophobicContact CG1-CD1 4.16Å; V50-L210 HydrophobicContact CG1-CD2 4.05Å; V50-L210 HydrophobicContact CG2-CD1 3.96Å; V50-L210 HydrophobicContact CG2-CD2 4.38Å; I52-L210 HydrophobicContact CG2-CD2 3.9Å; L58-L210 HydrophobicContact CD1-CD2 3.67Å; L127-L210 HydrophobicContact CD2-CB 3.65Å; L127-L210 HydrophobicContact CD2-CD1 3.99Å; L127-L210 HydrophobicContact CD2-CG 4.35Å; L127-L210 HydrophobicContact CG-CB 4.17Å; P128-L210 PolarHBondContact O-N 3.47Å; L129-L210 HydrophobicContact CD2-CD2 4.35Å; P130-L210 WeakPolarHBondContact CD-O 3.37Å; P130-L210 VanDerWaalsContact CG-O 3.28Å; P130-L210 WeakPolarHBondContact CG-O 3.39Å; P203-L210 HydrophobicContact CB-CD1 4.04Å; L210-G212 WeakPolarHBondContact CD1-O 3.37Å; L210-L213 HydrophobicContact CD1-CD2 4.3Å; L210-L213 HydrophobicContact CD2-CD2 4.36Å; L210-I234 HydrophobicContact CD2-CG1 4.44Å; L210-I234 HydrophobicContact CD2-CG2 4.26Å; L210-I234 HydrophobicContact CG-CB 4.44Å; L210-I234 HydrophobicContact CG-CG1 4.21Å; L210-I234 HydrophobicContact CG-CG2 4.19Å; L210-I234 WeakPolarHBondContact O-CB 3.3Å; L210-I234 WeakPolarHBondContact O-CG2 3.23Å
211	Q	98.8	Very high	94.6	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-29.3	179.4	-73.2	-69.2	-14.8	0	0	113.3	D132 A134 L204 C206 V209 Y233 I234	D132-Q211 PolarHBondContact O-NE2 3.41Å; D132-Q211 PolarHBondContact O-OE1 2.85Å; A134-Q211 HydrophobicContact CB-CB 4.39Å; A134-Q211 HydrophobicContact CB-CG 3.77Å; A134-Q211 VanDerWaalsContact N-OE1 3.13Å; L204-Q211 PolarHBondContact O-N 3.46Å; C206-Q211 HydrophobicContact CB-CB 4.38Å; C206-Q211 HydrophobicContact CB-CG 3.79Å; C206-Q211 VanDerWaalsContact SG-CB 3.6Å; V209-Q211 HydrophobicContact CG2-CG 4.28Å; V209-Q211 PolarHBondContact O-N 2.96Å; V209-Q211 VanDerWaalsContact O-N 3.13Å; Q211-Y233 WeakPolarHBondContact O-CD2 3.36Å; Q211-I234 PolarHBondContact O-N 3.08Å
212	G	98.8	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	165.7	179.6	0	0	0	0	0	115.6	L204 L210 T232	L204-G212 PolarHBondContact N-O 3.19Å; L204-G212 PolarHBondContact O-N 3.18Å; L204-G212 VanDerWaalsContact O-N 3.12Å; L210-G212 WeakPolarHBondContact CD1-O 3.37Å; G212-T232 WeakPolarHBondContact CA-O 3.24Å
213	L	98.7	Very high	93.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.6	166	-61.7	171.3	0	0	0	108.8	V50 L58 L109 G201 G202 L210 S215 Y231 T232 I234	V50-L213 HydrophobicContact CG2-CD2 3.64Å; L58-L213 HydrophobicContact CB-CD1 4.16Å; L58-L213 HydrophobicContact CB-CD2 4.14Å; L109-L213 HydrophobicContact CB-CD1 3.94Å; G201-L213 WeakPolarHBondContact O-CD2 3.12Å; G202-L213 WeakPolarHBondContact O-CA 3.44Å; L210-L213 HydrophobicContact CD1-CD2 4.3Å; L210-L213 HydrophobicContact CD2-CD2 4.36Å; L213-S215 PolarHBondContact O-N 3.49Å; L213-Y231 CarbonylContact O-C 3.58Å; L213-Y231 WeakPolarHBondContact O-CA 3.18Å; L213-Y231 WeakPolarHBondContact O-CB 3.22Å; L213-T232 PolarHBondContact N-O 3.04Å; L213-T232 PolarHBondContact O-N 2.82Å; L213-I234 HydrophobicContact CD1-CD1 3.59Å; L213-I234 HydrophobicContact CD1-CG1 4.46Å; L213-I234 HydrophobicContact CG-CD1 3.67Å; L213-I234 HydrophobicContact CG-CG1 4Å
214	V	97.8	Very high	92.8	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	122.9	174.6	179.3	0	0	0	0	109	V142 A195 D199 G201 G202 Y231	V142-V214 HydrophobicContact CG2-CG2 3.7Å; A195-V214 HydrophobicContact CB-CG1 4.02Å; A195-V214 HydrophobicContact CB-CG2 4Å; D199-V214 HydrophobicContact CB-CG1 4.22Å; D199-V214 HydrophobicContact CB-CG2 4.29Å; D199-V214 WeakPolarHBondContact O-CB 3.47Å; G201-V214 PolarHBondContact N-O 2.82Å; G202-V214 PolarHBondContact O-N 2.93Å; V214-Y231 HydrophobicContact CB-CD1 4.45Å; V214-Y231 HydrophobicContact CB-CE1 4.42Å; V214-Y231 HydrophobicContact CG2-CD1 4.08Å; V214-Y231 HydrophobicContact CG2-CE1 3.69Å
215	S	97.3	Very high	92.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-57.6	-171.4	175.6	0	0	0	0	112.5	H62 D108 L213 V230	H62-S215 PolarHBondContact CE1-O 2.94Å; D108-S215 WeakPolarHBondContact CB-OG 3.36Å; D108-S215 PolarHBondContact OD2-OG 3.04Å; L213-S215 PolarHBondContact O-N 3.49Å; S215-V230 WeakPolarHBondContact CB-O 3.27Å; S215-V230 PolarHBondContact N-O 3.41Å; S215-V230 VanDerWaalsContact N-O 3.1Å
216	W	95.1	Very high	92.1	Very high	28 Å²	28	39.1 Å²	39.1	11%	0.106	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	172.2	178.5	63.9	-76.8	0	0	0	112.8	H105 Y176 R179 I180 M184 V230	H105-W216 HydrophobicContact CB-CG 3.99Å; H105-W216 AromaticContact CD2-CD1 3.93Å; H105-W216 AromaticContact CD2-CG 3.78Å; H105-W216 AromaticContact CG-CD1 3.48Å; H105-W216 VanDerWaalsContact CG-CD1 3.48Å; H105-W216 AromaticContact CG-CG 3.76Å; Y176-W216 HydrophobicContact CD1-CH2 4.07Å; Y176-W216 AromaticContact CD1-CZ3 3.92Å; Y176-W216 HydrophobicContact CD1-CZ3 3.92Å; Y176-W216 HydrophobicContact CD2-CH2 4.48Å; Y176-W216 HydrophobicContact CE1-CZ3 4.04Å; Y176-W216 HydrophobicContact CG-CH2 4.01Å; Y176-W216 HydrophobicContact CG-CZ3 4.29Å; R179-W216 HydrophobicContact CB-CH2 3.88Å; R179-W216 HydrophobicContact CB-CZ2 4.31Å; I180-W216 HydrophobicContact CD1-CH2 4.03Å; I180-W216 HydrophobicContact CD1-CZ2 3.73Å; M184-W216 HydrophobicContact SD-CZ2 4.08Å; W216-V230 HydrophobicContact CD2-CB 3.97Å; W216-V230 HydrophobicContact CD2-CG1 4.43Å; W216-V230 HydrophobicContact CD2-CG2 4.04Å; W216-V230 HydrophobicContact CE3-CG2 4.25Å; W216-V230 HydrophobicContact CG-CB 4.12Å; W216-V230 HydrophobicContact CH2-CG2 4.13Å; W216-V230 HydrophobicContact CZ2-CB 4.25Å; W216-V230 HydrophobicContact CZ2-CG1 4.02Å; W216-V230 HydrophobicContact CZ2-CG2 3.96Å; W216-V230 HydrophobicContact CZ3-CG2 4.26Å; W216-V230 PolarHBondContact N-O 3.44Å; W216-V230 WeakPolarHBondContact O-CA 3.23Å; W216-V230 WeakPolarHBondContact O-CB 3.45Å; W216-V230 PolarHBondContact O-N 2.99Å; W216-V230 VanDerWaalsContact O-O 3.13Å
217	G	90.1	Very high	91.9	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	28%	0.283	S	S	.	.			trans	-152.4	-165.6	174.3	0	0	0	0	0	111
218	S	86.2	Confident	91.9	Very high	36 Å²	36	36.7 Å²	36.7	25%	0.252	24%	0.243	S	C	.	.			trans	-62.4	159.9	174.3	83.2	0	0	0	0	112.4	G220 Q224	S218-G220 PolarHBondContact O-N 3.2Å; S218-G220 PolarHBondContact OG-N 3.33Å; S218-Q224 PolarHBondContact OG-NE2 3.43Å
219	V	78.8	Confident	91.7	Very high	149 Å²	149	35 Å²	35	90%	0.903	23%	0.225	S	C	*	.	S	Bend	trans	-74.3	-13.1	176.4	-177.8	0	0	0	0	112.3
220	G	79.1	Confident	91.7	Very high	38 Å²	38	33.3 Å²	33.3	39%	0.392	22%	0.215	S	C	.	.	S	Bend	trans	-81.3	-168.9	177.2	0	0	0	0	0	113.2	S218	S218-G220 PolarHBondContact O-N 3.2Å; S218-G220 PolarHBondContact OG-N 3.33Å
221	P	82.3	Confident	91.7	Very high	93 Å²	93	33.5 Å²	33.5	60%	0.604	22%	0.216	S	C	*	.			trans	-62	141.6	174.6	27.3	-34.4	0	0	0	111.4	Q224	P221-Q224 HydrophobicContact CG-CG 4.23Å; P221-Q224 PolarHBondContact O-NE2 2.53Å
222	C	85.1	Confident	91.7	Very high	28 Å²	28	33 Å²	33	19%	0.189	21%	0.213	C	C	.	.	S	Bend	trans	-57.6	144.2	172.2	-52.6	0	0	0	0	110.5	F23 D194 C196	F23-C222 VanDerWaalsContact CD2-O 3.29Å; F23-C222 WeakPolarHBondContact CD2-O 3.44Å; D194-C222 HydrophobicContact CB-CB 4.26Å; D194-C222 WeakPolarHBondContact OD2-CA 3.46Å; C196-C222 WeakPolarHBondContact CA-SG 3.35Å; C196-C222 HydrophobicContact CB-CB 3.73Å; C196-C222 WeakPolarHBondContact CB-SG 3.32Å; C196-C222 WeakPolarHBondContact SG-CB 3.3Å; C196-C222 CovalentContact SG-SG 2.05Å; C196-C222 PolarHBondContact SG-SG 2.82Å
223	G	84.4	Confident	91.7	Very high	7 Å²	7	34.1 Å²	34.1	7%	0.072	22%	0.218	C	C	.	.	S	Bend	trans	77.4	36.8	177.4	0	0	0	0	0	114.9	G192 D194	G192-G223 WeakPolarHBondContact CA-O 3.25Å; G192-G223 PolarHBondContact N-O 3.3Å; D194-G223 PolarHBondContact OD2-N 2.75Å
224	Q	87.3	Confident	91.7	Very high	67 Å²	67	34.1 Å²	34.1	31%	0.313	22%	0.218	S	C	.	.			trans	-70.7	145.6	167.5	-80.6	161	79.1	0	0	111.3	S218 P221 G226 I227	S218-Q224 PolarHBondContact OG-NE2 3.43Å; P221-Q224 HydrophobicContact CG-CG 4.23Å; P221-Q224 PolarHBondContact O-NE2 2.53Å; Q224-G226 PolarHBondContact O-N 2.58Å; Q224-I227 HydrophobicContact CB-CB 3.77Å; Q224-I227 HydrophobicContact CB-CG1 3.57Å; Q224-I227 HydrophobicContact CB-CG2 4.47Å; Q224-I227 PolarHBondContact O-N 2.92Å
225	D	90.9	Very high	91.7	Very high	121 Å²	121	34.5 Å²	34.5	65%	0.647	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	129.8	176.2	-170.1	12.6	0	0	0	111.4	P191 I227	P191-D225 HydrophobicContact CB-CB 3.89Å; P191-D225 VanDerWaalsContact CD-OD1 3.27Å; P191-D225 WeakPolarHBondContact CD-OD1 3.16Å; P191-D225 HydrophobicContact CG-CB 4.26Å; P191-D225 WeakPolarHBondContact CG-OD1 3.23Å; D225-I227 PolarHBondContact O-N 2.91Å
226	G	93	Very high	91.8	Very high	38 Å²	38	39.5 Å²	39.5	39%	0.392	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	2.8	-177.6	0	0	0	0	0	115.6	V175 G189 Q224 P228	V175-G226 WeakPolarHBondContact CG2-O 3.25Å; G189-G226 WeakPolarHBondContact O-CA 3.45Å; G189-G226 PolarHBondContact O-N 2.89Å; Q224-G226 PolarHBondContact O-N 2.58Å; G226-P228 VanDerWaalsContact O-CD 3.3Å; G226-P228 WeakPolarHBondContact O-CD 3.28Å
227	I	94.2	Very high	92	Very high	36 Å²	36	38.5 Å²	38.5	19%	0.185	24%	0.238	C	C	.	.			trans	-109.5	97.4	-175.6	-54.8	-56.4	0	0	0	110.1	V175 Y176 Q224 D225	V175-I227 HydrophobicContact CG1-CD1 3.58Å; Y176-I227 VanDerWaalsContact OH-CG2 3.24Å; Y176-I227 WeakPolarHBondContact OH-CG2 3.37Å; Q224-I227 HydrophobicContact CB-CB 3.77Å; Q224-I227 HydrophobicContact CB-CG1 3.57Å; Q224-I227 HydrophobicContact CB-CG2 4.47Å; Q224-I227 PolarHBondContact O-N 2.92Å; D225-I227 PolarHBondContact O-N 2.91Å
228	P	96.1	Very high	92.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	151.6	177.5	31.6	-35.2	0	0	0	112.3	V167 Y176 C186 A187 G226	V167-P228 HydrophobicContact CG1-CG 4.49Å; V167-P228 HydrophobicContact CG2-CB 4.11Å; V167-P228 HydrophobicContact CG2-CG 4.5Å; Y176-P228 HydrophobicContact CE2-CG 4.33Å; Y176-P228 WeakPolarHBondContact CE2-O 3.05Å; Y176-P228 PolarHBondContact OH-O 2.03Å; C186-P228 HydrophobicContact CB-CB 3.94Å; C186-P228 HydrophobicContact CB-CG 3.76Å; A187-P228 WeakPolarHBondContact O-CB 3.29Å; G226-P228 VanDerWaalsContact O-CD 3.3Å; G226-P228 WeakPolarHBondContact O-CD 3.28Å
229	G	95.3	Very high	93	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	151.5	166.8	0	0	0	0	0	111.4	C186 A187 D194 Y231	C186-G229 WeakPolarHBondContact CA-O 3.21Å; A187-G229 PolarHBondContact N-O 2.95Å; A187-G229 VanDerWaalsContact N-O 3.13Å; A187-G229 PolarHBondContact O-N 2.85Å; D194-G229 WeakPolarHBondContact OD1-CA 3.47Å; G229-Y231 WeakPolarHBondContact O-CD2 3.19Å; G229-Y231 VanDerWaalsContact O-CE2 3.3Å; G229-Y231 WeakPolarHBondContact O-CE2 3.47Å
230	V	97.5	Very high	93.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.3	-178.9	-167.5	0	0	0	0	110.5	Y176 I180 M184 S215 W216	Y176-V230 HydrophobicContact CD2-CG2 3.96Å; Y176-V230 HydrophobicContact CE2-CG2 3.54Å; I180-V230 HydrophobicContact CD1-CG1 3.97Å; I180-V230 HydrophobicContact CD1-CG2 4.09Å; M184-V230 HydrophobicContact CB-CG1 3.98Å; M184-V230 HydrophobicContact CG-CG1 4.24Å; M184-V230 HydrophobicContact SD-CG1 3.99Å; S215-V230 WeakPolarHBondContact CB-O 3.27Å; S215-V230 PolarHBondContact N-O 3.41Å; S215-V230 VanDerWaalsContact N-O 3.1Å; W216-V230 HydrophobicContact CD2-CB 3.97Å; W216-V230 HydrophobicContact CD2-CG1 4.43Å; W216-V230 HydrophobicContact CD2-CG2 4.04Å; W216-V230 HydrophobicContact CE3-CG2 4.25Å; W216-V230 HydrophobicContact CG-CB 4.12Å; W216-V230 HydrophobicContact CH2-CG2 4.13Å; W216-V230 HydrophobicContact CZ2-CB 4.25Å; W216-V230 HydrophobicContact CZ2-CG1 4.02Å; W216-V230 HydrophobicContact CZ2-CG2 3.96Å; W216-V230 HydrophobicContact CZ3-CG2 4.26Å; W216-V230 PolarHBondContact N-O 3.44Å; W216-V230 WeakPolarHBondContact O-CA 3.23Å; W216-V230 WeakPolarHBondContact O-CB 3.45Å; W216-V230 PolarHBondContact O-N 2.99Å; W216-V230 VanDerWaalsContact O-O 3.13Å
231	Y	98.6	Very high	94.8	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.4	-172.4	-56	-105.5	0	0	0	110.2	V142 M184 V185 A187 L204 L213 V214 G229 Y233	V142-Y231 HydrophobicContact CG2-CE1 4.27Å; M184-Y231 WeakPolarHBondContact CA-O 3.33Å; V185-Y231 PolarHBondContact N-O 2.89Å; V185-Y231 PolarHBondContact O-N 3.09Å; A187-Y231 HydrophobicContact CB-CD2 4.28Å; A187-Y231 HydrophobicContact CB-CE2 3.86Å; L204-Y231 HydrophobicContact CB-CD1 3.67Å; L204-Y231 HydrophobicContact CB-CE1 3.86Å; L204-Y231 HydrophobicContact CB-CG 4.4Å; L204-Y231 HydrophobicContact CD1-CE1 4.17Å; L204-Y231 HydrophobicContact CD2-CD1 3.89Å; L204-Y231 HydrophobicContact CD2-CD2 4.03Å; L204-Y231 HydrophobicContact CD2-CE1 4.19Å; L204-Y231 HydrophobicContact CD2-CE2 4.36Å; L204-Y231 HydrophobicContact CD2-CG 3.82Å; L204-Y231 HydrophobicContact CG-CD1 4.27Å; L204-Y231 HydrophobicContact CG-CE1 4.3Å; L213-Y231 CarbonylContact O-C 3.58Å; L213-Y231 WeakPolarHBondContact O-CA 3.18Å; L213-Y231 WeakPolarHBondContact O-CB 3.22Å; V214-Y231 HydrophobicContact CB-CD1 4.45Å; V214-Y231 HydrophobicContact CB-CE1 4.42Å; V214-Y231 HydrophobicContact CG2-CD1 4.08Å; V214-Y231 HydrophobicContact CG2-CE1 3.69Å; G229-Y231 WeakPolarHBondContact O-CD2 3.19Å; G229-Y231 VanDerWaalsContact O-CE2 3.3Å; G229-Y231 WeakPolarHBondContact O-CE2 3.47Å; Y231-Y233 PolarHBondContact O-N 2.95Å
232	T	98.7	Very high	95.6	Very high	2 Å²	2	36 Å²	36	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.1	169.2	-52.1	0	0	0	0	109.2	D108 L109 G212 L213 I234 Y237	D108-T232 PolarHBondContact O-OG1 3.1Å; L109-T232 HydrophobicContact CB-CG2 4.25Å; L109-T232 HydrophobicContact CD2-CG2 4.24Å; G212-T232 WeakPolarHBondContact CA-O 3.24Å; L213-T232 PolarHBondContact N-O 3.04Å; L213-T232 PolarHBondContact O-N 2.82Å; T232-I234 PolarHBondContact O-N 2.04Å; T232-Y237 HydrophobicContact CG2-CD2 4.03Å; T232-Y237 HydrophobicContact CG2-CE2 3.52Å
233	Y	98.6	Very high	96.3	Very high	25 Å²	25	39.5 Å²	39.5	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	97.1	-167.9	-159	169.5	0	0	0	112.3	C133 A134 N183 V185 Q211 Y231 C235 K236 Y237	C133-Y233 WeakPolarHBondContact CA-OH 3.26Å; C133-Y233 HydrophobicContact CB-CE1 4.22Å; C133-Y233 HydrophobicContact CB-CE2 4Å; C133-Y233 VanDerWaalsContact CB-OH 3.26Å; C133-Y233 WeakPolarHBondContact CB-OH 3.48Å; A134-Y233 PolarHBondContact N-OH 3.27Å; A134-Y233 PolarHBondContact O-OH 2.02Å; N183-Y233 WeakPolarHBondContact O-CB 3.29Å; N183-Y233 PolarHBondContact O-N 2.63Å; V185-Y233 HydrophobicContact CB-CD1 3.77Å; V185-Y233 HydrophobicContact CB-CD2 4.19Å; V185-Y233 HydrophobicContact CB-CE1 3.97Å; V185-Y233 HydrophobicContact CB-CE2 4.39Å; V185-Y233 HydrophobicContact CB-CG 3.86Å; V185-Y233 HydrophobicContact CG1-CD1 4.46Å; V185-Y233 HydrophobicContact CG1-CD2 4.04Å; V185-Y233 HydrophobicContact CG1-CE2 4.44Å; V185-Y233 HydrophobicContact CG1-CG 4.04Å; V185-Y233 HydrophobicContact CG2-CD1 4.47Å; V185-Y233 HydrophobicContact CG2-CE1 4.16Å; Q211-Y233 WeakPolarHBondContact O-CD2 3.36Å; Y231-Y233 PolarHBondContact O-N 2.95Å; Y233-C235 VanDerWaalsContact C-N 3.32Å; Y233-C235 HydrophobicContact CD2-CB 4.42Å; Y233-C235 WeakPolarHBondContact CD2-SG 3.45Å; Y233-C235 HydrophobicContact CE2-CB 4.36Å; Y233-C235 WeakPolarHBondContact CE2-SG 3.3Å; Y233-C235 PolarHBondContact O-N 3.45Å; Y233-K236 HydrophobicContact CG-CG 4.38Å; Y233-K236 WeakPolarHBondContact O-CB 3.45Å; Y233-K236 PolarHBondContact O-N 2.88Å; Y233-Y237 VanDerWaalsContact O-CD2 3.3Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.45Å
234	I	98.9	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.4	-28.1	-162.8	-66.9	-68.4	0	0	0	114.1	L58 L109 L129 P130 L210 Q211 L213 T232 K236 Y237 V238 I241	L58-I234 HydrophobicContact CD1-CD1 4.32Å; L109-I234 HydrophobicContact CD1-CD1 4.21Å; L129-I234 HydrophobicContact CD2-CG2 4.04Å; P130-I234 HydrophobicContact CG-CG2 4.29Å; L210-I234 HydrophobicContact CD2-CG1 4.44Å; L210-I234 HydrophobicContact CD2-CG2 4.26Å; L210-I234 HydrophobicContact CG-CB 4.44Å; L210-I234 HydrophobicContact CG-CG1 4.21Å; L210-I234 HydrophobicContact CG-CG2 4.19Å; L210-I234 WeakPolarHBondContact O-CB 3.3Å; L210-I234 WeakPolarHBondContact O-CG2 3.23Å; Q211-I234 PolarHBondContact O-N 3.08Å; L213-I234 HydrophobicContact CD1-CD1 3.59Å; L213-I234 HydrophobicContact CD1-CG1 4.46Å; L213-I234 HydrophobicContact CG-CD1 3.67Å; L213-I234 HydrophobicContact CG-CG1 4Å; T232-I234 PolarHBondContact O-N 2.04Å; I234-K236 PolarHBondContact O-N 3Å; I234-K236 VanDerWaalsContact O-N 3.08Å; I234-Y237 PolarHBondContact O-N 3.39Å; I234-V238 WeakPolarHBondContact O-CG2 3.5Å; I234-V238 PolarHBondContact O-N 3.09Å; I234-I241 HydrophobicContact CD1-CD1 4.44Å; I234-I241 HydrophobicContact CG2-CD1 4.03Å
235	C	98.6	Very high	97.4	Very high	20 Å²	20	38.6 Å²	38.6	14%	0.135	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-53.7	-29	171.4	71.6	0	0	0	0	113.2	P130 C133 Y233 Y237	P130-C235 HydrophobicContact CG-CB 4.16Å; C133-C235 WeakPolarHBondContact CA-SG 3.49Å; C133-C235 HydrophobicContact CB-CB 3.92Å; C133-C235 WeakPolarHBondContact CB-SG 3.44Å; C133-C235 WeakPolarHBondContact SG-CB 3.06Å; C133-C235 CovalentContact SG-SG 2.04Å; C133-C235 PolarHBondContact SG-SG 3.43Å; Y233-C235 VanDerWaalsContact C-N 3.32Å; Y233-C235 HydrophobicContact CD2-CB 4.42Å; Y233-C235 WeakPolarHBondContact CD2-SG 3.45Å; Y233-C235 HydrophobicContact CE2-CB 4.36Å; Y233-C235 WeakPolarHBondContact CE2-SG 3.3Å; Y233-C235 PolarHBondContact O-N 3.45Å; C235-Y237 VanDerWaalsContact C-N 3.3Å; C235-Y237 PolarHBondContact O-N 2.83Å
236	K	98.6	Very high	97.7	Very high	106 Å²	106	43.3 Å²	43.3	46%	0.461	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-78.4	-11.7	179.4	-55.3	-55.7	-173.9	-174.9	0	114.1	S182 Y233 I234	S182-K236 WeakPolarHBondContact O-CE 3.04Å; Y233-K236 HydrophobicContact CG-CG 4.38Å; Y233-K236 WeakPolarHBondContact O-CB 3.45Å; Y233-K236 PolarHBondContact O-N 2.88Å; I234-K236 PolarHBondContact O-N 3Å; I234-K236 VanDerWaalsContact O-N 3.08Å
237	Y	98.8	Very high	97.9	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.027	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-1	-172	-62.8	-82.1	0	0	0	114	H95 E106 H107 L109 N183 T232 Y233 I234 C235 D239 W240 I241	H95-Y237 AromaticContact CD2-CD1 3.7Å; H95-Y237 AromaticContact CD2-CE1 3.82Å; H95-Y237 AromaticContact NE2-CD1 3.75Å; H95-Y237 AromaticContact NE2-CE1 3.68Å; E106-Y237 PolarHBondContact OE1-OH 3.12Å; H107-Y237 WeakPolarHBondContact CA-OH 3.42Å; H107-Y237 HydrophobicContact CB-CE1 4.07Å; H107-Y237 PolarHBondContact N-OH 3.14Å; H107-Y237 AromaticContact ND1-CE1 3.36Å; H107-Y237 WeakPolarHBondContact ND1-CE1 3.02Å; H107-Y237 AromaticContact ND1-CZ 3.61Å; H107-Y237 PolarHBondContact ND1-OH 3.36Å; L109-Y237 HydrophobicContact CD1-CD1 3.93Å; L109-Y237 HydrophobicContact CD1-CD2 4.14Å; L109-Y237 HydrophobicContact CD1-CG 3.62Å; L109-Y237 HydrophobicContact CD2-CD1 3.56Å; L109-Y237 HydrophobicContact CD2-CD2 4.31Å; L109-Y237 HydrophobicContact CD2-CE1 3.53Å; L109-Y237 HydrophobicContact CD2-CE2 4.32Å; L109-Y237 HydrophobicContact CD2-CG 3.96Å; L109-Y237 HydrophobicContact CG-CD1 4.42Å; L109-Y237 HydrophobicContact CG-CG 4.48Å; N183-Y237 HydrophobicContact CB-CE2 4.05Å; N183-Y237 WeakPolarHBondContact CB-OH 3.38Å; T232-Y237 HydrophobicContact CG2-CD2 4.03Å; T232-Y237 HydrophobicContact CG2-CE2 3.52Å; Y233-Y237 VanDerWaalsContact O-CD2 3.3Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.45Å; I234-Y237 PolarHBondContact O-N 3.39Å; C235-Y237 VanDerWaalsContact C-N 3.3Å; C235-Y237 PolarHBondContact O-N 2.83Å; Y237-D239 VanDerWaalsContact C-N 3.27Å; Y237-D239 PolarHBondContact O-N 3.02Å; Y237-W240 PolarHBondContact O-N 3.45Å; Y237-I241 VanDerWaalsContact O-CG1 3.28Å; Y237-I241 WeakPolarHBondContact O-CG1 3.27Å; Y237-I241 PolarHBondContact O-N 3.48Å
238	V	98.8	Very high	97.8	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-53.6	-41.6	-173.8	179.7	0	0	0	0	112.5	L129 P130 I234 I241 R242	L129-V238 HydrophobicContact CB-CG1 4.4Å; L129-V238 HydrophobicContact CD1-CG1 4.35Å; P130-V238 HydrophobicContact CG-CG2 4.2Å; P130-V238 WeakPolarHBondContact O-CG2 3.19Å; I234-V238 WeakPolarHBondContact O-CG2 3.5Å; I234-V238 PolarHBondContact O-N 3.09Å; V238-I241 PolarHBondContact O-N 2.69Å; V238-R242 HydrophobicContact CG1-CG 4.37Å; V238-R242 WeakPolarHBondContact O-CB 3.41Å; V238-R242 VanDerWaalsContact O-CG 3.26Å; V238-R242 WeakPolarHBondContact O-CG 3.48Å; V238-R242 PolarHBondContact O-N 2.86Å
239	D	98.5	Very high	97.9	Very high	126 Å²	126	50.6 Å²	50.6	67%	0.674	23%	0.233	S	C	*	.	H	α-helix	trans	-69	-40.2	178.5	-70.3	-22.7	0	0	0	112.7	Y237 M243	Y237-D239 VanDerWaalsContact C-N 3.27Å; Y237-D239 PolarHBondContact O-N 3.02Å; D239-M243 VanDerWaalsContact O-CB 3.23Å; D239-M243 WeakPolarHBondContact O-CB 3.42Å; D239-M243 PolarHBondContact O-N 2.78Å
240	W	98.7	Very high	98	Very high	29 Å²	29	53.1 Å²	53.1	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-44	173	177.2	83.5	0	0	0	111.1	V93 H95 L109 L111 Y237 M243 I244	V93-W240 HydrophobicContact CG1-CZ2 3.94Å; H95-W240 HydrophobicContact CB-CH2 4.1Å; H95-W240 HydrophobicContact CB-CZ2 4.03Å; H95-W240 HydrophobicContact CB-CZ3 4.47Å; H95-W240 AromaticContact CD2-CD1 3.95Å; H95-W240 AromaticContact CD2-CD2 3.53Å; H95-W240 AromaticContact CD2-CE2 3.68Å; H95-W240 AromaticContact CD2-CE3 3.94Å; H95-W240 AromaticContact CD2-CG 3.75Å; H95-W240 AromaticContact CD2-NE1 3.91Å; L109-W240 HydrophobicContact CD1-CE3 3.95Å; L109-W240 HydrophobicContact CD1-CZ3 3.76Å; L109-W240 HydrophobicContact CG-CE3 4.37Å; L109-W240 HydrophobicContact CG-CZ3 3.86Å; L111-W240 HydrophobicContact CD1-CH2 4.25Å; L111-W240 HydrophobicContact CD1-CZ3 3.97Å; L111-W240 HydrophobicContact CG-CH2 4.44Å; L111-W240 HydrophobicContact CG-CZ3 4.2Å; Y237-W240 PolarHBondContact O-N 3.45Å; W240-M243 WeakPolarHBondContact O-CB 3.44Å; W240-M243 PolarHBondContact O-N 3.06Å; W240-I244 HydrophobicContact CD2-CG1 4.14Å; W240-I244 HydrophobicContact CH2-CG1 4.44Å; W240-I244 HydrophobicContact CZ2-CD1 4.45Å; W240-I244 HydrophobicContact CZ2-CG1 3.84Å; W240-I244 WeakPolarHBondContact O-CG1 3.45Å; W240-I244 PolarHBondContact O-N 2.85Å
241	I	98.8	Very high	98	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-52.8	177.5	-66.8	160.8	0	0	0	110	I52 L58 L109 L111 L129 I234 Y237 V238 M243 I244 M245	I52-I241 HydrophobicContact CD1-CG2 3.63Å; L58-I241 HydrophobicContact CD1-CD1 3.89Å; L58-I241 HydrophobicContact CD2-CD1 4.38Å; L58-I241 HydrophobicContact CD2-CG1 4.3Å; L109-I241 HydrophobicContact CD1-CD1 4.26Å; L109-I241 HydrophobicContact CD1-CG1 4.29Å; L111-I241 HydrophobicContact CD1-CG2 4.32Å; L111-I241 HydrophobicContact CD2-CG2 4.38Å; L129-I241 HydrophobicContact CD1-CB 4.32Å; L129-I241 HydrophobicContact CD1-CG2 3.63Å; L129-I241 HydrophobicContact CD2-CD1 4.21Å; L129-I241 HydrophobicContact CD2-CG2 4.39Å; I234-I241 HydrophobicContact CD1-CD1 4.44Å; I234-I241 HydrophobicContact CG2-CD1 4.03Å; Y237-I241 VanDerWaalsContact O-CG1 3.28Å; Y237-I241 WeakPolarHBondContact O-CG1 3.27Å; Y237-I241 PolarHBondContact O-N 3.48Å; V238-I241 PolarHBondContact O-N 2.69Å; I241-M243 VanDerWaalsContact C-N 3.33Å; I241-M243 PolarHBondContact O-N 3.28Å; I241-I244 PolarHBondContact O-N 3.43Å; I241-M245 HydrophobicContact CG2-CG 4.39Å; I241-M245 HydrophobicContact CG2-SD 3.61Å; I241-M245 WeakPolarHBondContact O-CB 3.37Å; I241-M245 VanDerWaalsContact O-CG 3.24Å; I241-M245 WeakPolarHBondContact O-CG 3.35Å; I241-M245 PolarHBondContact O-N 3.43Å
242	R	98.6	Very high	98	Very high	124 Å²	124	59.1 Å²	59.1	47%	0.468	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-39.4	177.9	-73.1	172.5	177.3	160.4	0.7	112.2	L129 V238 R246	L129-R242 HydrophobicContact CD1-CG 4.5Å; V238-R242 HydrophobicContact CG1-CG 4.37Å; V238-R242 WeakPolarHBondContact O-CB 3.41Å; V238-R242 VanDerWaalsContact O-CG 3.26Å; V238-R242 WeakPolarHBondContact O-CG 3.48Å; V238-R242 PolarHBondContact O-N 2.86Å; R242-R246 VanDerWaalsContact O-CB 3.25Å; R242-R246 WeakPolarHBondContact O-CB 3.32Å; R242-R246 PolarHBondContact O-N 2.89Å
243	M	98.5	Very high	97.9	Very high	100 Å²	100	62.7 Å²	62.7	49%	0.493	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-50.2	176.1	-175.9	-141.3	-59.5	0	0	111.7	D239 W240 I241 R246 N247	D239-M243 VanDerWaalsContact O-CB 3.23Å; D239-M243 WeakPolarHBondContact O-CB 3.42Å; D239-M243 PolarHBondContact O-N 2.78Å; W240-M243 WeakPolarHBondContact O-CB 3.44Å; W240-M243 PolarHBondContact O-N 3.06Å; I241-M243 VanDerWaalsContact C-N 3.33Å; I241-M243 PolarHBondContact O-N 3.28Å; M243-R246 PolarHBondContact O-N 3.43Å; M243-N247 WeakPolarHBondContact O-CB 3.05Å; M243-N247 VanDerWaalsContact O-CG 3.3Å; M243-N247 PolarHBondContact O-N 3.48Å; M243-N247 VanDerWaalsContact O-N 3.11Å; M243-N247 PolarHBondContact O-ND2 3.09Å
244	I	98.4	Very high	97.9	Very high	21 Å²	21	65.2 Å²	65.2	11%	0.108	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-43.7	178.6	-64.1	-57.6	0	0	0	110.8	W56 V93 L111 W240 I241 R246 N247 N248	W56-I244 HydrophobicContact CH2-CG2 4.03Å; W56-I244 HydrophobicContact CZ3-CG2 4.25Å; V93-I244 HydrophobicContact CB-CG2 4.2Å; V93-I244 HydrophobicContact CG1-CD1 4.1Å; V93-I244 HydrophobicContact CG1-CG1 4.47Å; V93-I244 HydrophobicContact CG2-CG2 3.94Å; L111-I244 HydrophobicContact CB-CG2 4.42Å; L111-I244 HydrophobicContact CD1-CB 3.62Å; L111-I244 HydrophobicContact CD1-CG1 4.32Å; L111-I244 HydrophobicContact CD1-CG2 3.55Å; W240-I244 HydrophobicContact CD2-CG1 4.14Å; W240-I244 HydrophobicContact CH2-CG1 4.44Å; W240-I244 HydrophobicContact CZ2-CD1 4.45Å; W240-I244 HydrophobicContact CZ2-CG1 3.84Å; W240-I244 WeakPolarHBondContact O-CG1 3.45Å; W240-I244 PolarHBondContact O-N 2.85Å; I241-I244 PolarHBondContact O-N 3.43Å; I244-R246 VanDerWaalsContact C-N 3.33Å; I244-R246 PolarHBondContact O-N 3.29Å; I244-N247 PolarHBondContact O-N 3.01Å; I244-N248 PolarHBondContact O-N 2.87Å; I244-N248 PolarHBondContact O-ND2 3.12Å
245	M	98.1	Very high	97.8	Very high	35 Å²	35	69.9 Å²	69.9	17%	0.172	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-36.1	178.6	-71.8	172.8	64.3	0	0	113.5	I52 D53 W56 I241	I52-M245 HydrophobicContact CD1-CE 4.35Å; I52-M245 HydrophobicContact CD1-SD 3.54Å; I52-M245 VanDerWaalsContact CD1-SD 3.54Å; I52-M245 HydrophobicContact CG1-SD 4.44Å; D53-M245 HydrophobicContact CB-CE 3.66Å; D53-M245 WeakPolarHBondContact OD2-CE 3.47Å; W56-M245 HydrophobicContact CB-CE 4.27Å; W56-M245 HydrophobicContact CB-CG 4.38Å; W56-M245 HydrophobicContact CD2-CG 3.86Å; W56-M245 HydrophobicContact CE3-CG 4.48Å; W56-M245 HydrophobicContact CG-CE 4.19Å; W56-M245 HydrophobicContact CG-CG 3.8Å; W56-M245 HydrophobicContact CG-SD 4.48Å; I241-M245 HydrophobicContact CG2-CG 4.39Å; I241-M245 HydrophobicContact CG2-SD 3.61Å; I241-M245 WeakPolarHBondContact O-CB 3.37Å; I241-M245 VanDerWaalsContact O-CG 3.24Å; I241-M245 WeakPolarHBondContact O-CG 3.35Å; I241-M245 PolarHBondContact O-N 3.43Å
246	R	97.4	Very high	97.8	Very high	219 Å²	219	73.7 Å²	73.7	83%	0.826	34%	0.336	S	S	*	.	H	α-helix	trans	-74.8	-35.6	179.3	-179.9	178.4	177.3	-178.8	-0.6	112.8	R242 M243 I244	R242-R246 VanDerWaalsContact O-CB 3.25Å; R242-R246 WeakPolarHBondContact O-CB 3.32Å; R242-R246 PolarHBondContact O-N 2.89Å; M243-R246 PolarHBondContact O-N 3.43Å; I244-R246 VanDerWaalsContact C-N 3.33Å; I244-R246 PolarHBondContact O-N 3.29Å
247	N	96.4	Very high	97.7	Very high	108 Å²	108	71 Å²	71	58%	0.578	33%	0.326	S	S	*	.	H	α-helix	trans	-93.9	2.4	-169.6	-67.2	-11.5	0	0	0	114.1	M243 I244	M243-N247 WeakPolarHBondContact O-CB 3.05Å; M243-N247 VanDerWaalsContact O-CG 3.3Å; M243-N247 PolarHBondContact O-N 3.48Å; M243-N247 VanDerWaalsContact O-N 3.11Å; M243-N247 PolarHBondContact O-ND2 3.09Å; I244-N247 PolarHBondContact O-N 3.01Å
248	N	91.5	Very high	97.6	Very high	72 Å²	72	76.8 Å²	76.8	39%	0.385	35%	0.353	S	S	.	.			trans	-135.3	0	-175.8	-62.7	-89.3	0	0	0	113.2	W56 F91 R113 I244	W56-N248 HydrophobicContact CH2-CB 3.99Å; W56-N248 HydrophobicContact CZ2-CB 4.05Å; W56-N248 WeakPolarHBondContact CZ2-OXT 3.33Å; F91-N248 HydrophobicContact CD1-CB 4.22Å; F91-N248 HydrophobicContact CE1-CB 3.67Å; F91-N248 VanDerWaalsContact CE1-CG 3.42Å; F91-N248 VanDerWaalsContact CE1-OD1 3.32Å; F91-N248 WeakPolarHBondContact CE1-OD1 2.93Å; F91-N248 HydrophobicContact CZ-CB 4.33Å; F91-N248 WeakPolarHBondContact CZ-OD1 3.49Å; R113-N248 PolarHBondContact NE-OXT 2.76Å; R113-N248 VanDerWaalsContact NH1-C 3.28Å; R113-N248 PolarHBondContact NH1-O 3.35Å; R113-N248 PolarHBondContact NH1-OXT 3.36Å; R113-N248 PolarHBondContact NH2-O 2.83Å; R113-N248 PolarHBondContact NH2-OXT 2.84Å; I244-N248 PolarHBondContact O-N 2.87Å; I244-N248 PolarHBondContact O-ND2 3.12Å

Retrieved 248 of 248 residues in 46.5 ms (Link to these results)

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