A0A077ZCN6_TRITR Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A077ZCN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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	36	Very low	30.7	Very low	245 Å²	245	163.2 Å²	163.2	100%	1.207	82%	0.823	S	S	*	*				0	136.4	0	-82.2	160.4	56.2	0	0	109.8
2	K	34.6	Very low	30.9	Very low	206 Å²	206	158.2 Å²	158.2	90%	0.896	81%	0.806	S	S	*	*			trans	-58.3	132.2	-164.3	-72.3	172.3	174.7	175.3	0	113.8	R4	K2-R4 PolarHBondContact O-N 3.4Å
3	K	32.2	Very low	31.2	Very low	205 Å²	205	157.2 Å²	157.2	89%	0.891	80%	0.803	S	S	*	*			trans	-55.1	112	169.5	-70.5	180	176.6	-179.1	0	109.4	K5	K3-K5 PolarHBondContact O-N 3.45Å
4	R	31.5	Very low	31.1	Very low	244 Å²	244	148.7 Å²	148.7	92%	0.921	77%	0.773	S	S	*	*			trans	-68.3	110.2	173	-83.2	-178.9	171.1	178.1	-2.9	108.5	K2 I6	K2-R4 PolarHBondContact O-N 3.4Å; R4-I6 PolarHBondContact O-N 3.13Å
5	K	32.5	Very low	31.1	Very low	192 Å²	192	144.5 Å²	144.5	84%	0.835	76%	0.757	S	S	*	*			trans	-62.1	115.8	166.6	-77	-179.4	172.6	-178.3	0	108.2	K3 I7	K3-K5 PolarHBondContact O-N 3.45Å; K5-I7 PolarHBondContact O-N 3.05Å; K5-I7 VanDerWaalsContact O-N 3.16Å
6	I	29.4	Very low	31.5	Very low	151 Å²	151	139.4 Å²	139.4	77%	0.774	74%	0.742	S	S	*	*			trans	-70.5	102.1	164.1	-62.5	171	0	0	0	105.7	R4 L8	R4-I6 PolarHBondContact O-N 3.13Å; I6-L8 HydrophobicContact CG2-CD1 4.18Å; I6-L8 PolarHBondContact O-N 2.91Å
7	I	29.3	Very low	31.8	Very low	153 Å²	153	134.4 Å²	134.4	79%	0.785	73%	0.725	S	S	*	*			trans	-81.5	100.8	169.6	-63.8	175	0	0	0	105.6	K5 A9	K5-I7 PolarHBondContact O-N 3.05Å; K5-I7 VanDerWaalsContact O-N 3.16Å; I7-A9 PolarHBondContact O-N 3.46Å
8	L	27.5	Very low	32	Very low	149 Å²	149	132.8 Å²	132.8	78%	0.78	72%	0.72	S	S	*	*			trans	-60	129.9	170.8	-111	95.8	0	0	0	109.2	I6 A10	I6-L8 HydrophobicContact CG2-CD1 4.18Å; I6-L8 PolarHBondContact O-N 2.91Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 2.96Å
9	A	28.1	Very low	32.3	Very low	76 Å²	76	133 Å²	133	63%	0.628	72%	0.72	S	S	*	*			trans	-69.9	80.5	-178.3	0	0	0	0	0	112.1	I7 S11	I7-A9 PolarHBondContact O-N 3.46Å; A9-S11 PolarHBondContact O-N 3.34Å
10	A	29.5	Very low	32.9	Very low	90 Å²	90	127.8 Å²	127.8	74%	0.744	70%	0.698	S	S	*	*			trans	-78.7	-0.2	163.6	0	0	0	0	0	112.8	L8	L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 2.96Å
11	S	27.1	Very low	33.3	Very low	84 Å²	84	126.7 Å²	126.7	59%	0.587	69%	0.687	S	S	*	*	H	α-helix	trans	-86.6	-18.6	-173.7	51.1	0	0	0	0	115.1	A9 T15	A9-S11 PolarHBondContact O-N 3.34Å; S11-T15 PolarHBondContact O-OG1 3.06Å
12	V	32.8	Very low	33.7	Very low	103 Å²	103	124.1 Å²	124.1	62%	0.624	67%	0.669	S	S	*	*	H	α-helix	trans	-78.4	-32.6	-177.2	-176.4	0	0	0	0	112.1
13	L	34.9	Very low	34.5	Very low	146 Å²	146	122.5 Å²	122.5	76%	0.764	66%	0.662	S	S	*	*	H	α-helix	trans	-76.9	-30.3	175.9	-84.1	154.2	0	0	0	112.8	A17	L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 3.35Å
14	G	30.3	Very low	35.7	Very low	38 Å²	38	114 Å²	114	39%	0.392	63%	0.626	S	S	.	*	H	α-helix	trans	-69.4	-42.3	-178.6	0	0	0	0	0	114	V18	G14-V18 VanDerWaalsContact O-CG2 3.26Å; G14-V18 WeakPolarHBondContact O-CG2 3.3Å; G14-V18 PolarHBondContact O-N 3.04Å; G14-V18 VanDerWaalsContact O-N 3.08Å
15	T	31	Very low	37	Very low	85 Å²	85	108.8 Å²	108.8	52%	0.521	62%	0.615	S	S	.	*	H	α-helix	trans	-74.7	-38.7	179.8	50.8	0	0	0	0	111.9	S11 A17 V18 L19	S11-T15 PolarHBondContact O-OG1 3.06Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-A17 PolarHBondContact O-N 3.16Å; T15-V18 PolarHBondContact O-N 3.26Å; T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.48Å; T15-L19 PolarHBondContact O-N 3.08Å
16	A	37.1	Very low	38.9	Very low	64 Å²	64	106.5 Å²	106.5	53%	0.529	61%	0.612	S	S	.	*	H	α-helix	trans	-61.7	-40.5	172.3	0	0	0	0	0	112.2	G20	A16-G20 PolarHBondContact O-N 3.06Å
17	A	37.3	Very low	41.6	Very low	54 Å²	54	101.6 Å²	101.6	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-69	-38.9	177.4	0	0	0	0	0	113.1	L13 T15 K21	L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 3.35Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-A17 PolarHBondContact O-N 3.16Å; A17-K21 PolarHBondContact O-N 2.98Å
18	V	34.9	Very low	44.5	Very low	106 Å²	106	99.7 Å²	99.7	64%	0.642	58%	0.581	S	S	*	*	H	α-helix	trans	-73.9	-41.3	179.2	173.5	0	0	0	0	111.8	G14 T15 K21	G14-V18 VanDerWaalsContact O-CG2 3.26Å; G14-V18 WeakPolarHBondContact O-CG2 3.3Å; G14-V18 PolarHBondContact O-N 3.04Å; G14-V18 VanDerWaalsContact O-N 3.08Å; T15-V18 PolarHBondContact O-N 3.26Å; V18-K21 PolarHBondContact O-N 3.37Å
19	L	38.3	Very low	47.7	Very low	136 Å²	136	95.7 Å²	95.7	71%	0.712	56%	0.563	S	S	*	*	H	α-helix	trans	-68.4	-33.9	174	-79.9	155.5	0	0	0	112.1	T15 K21	T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.48Å; T15-L19 PolarHBondContact O-N 3.08Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 3.44Å
20	G	44.2	Very low	51	Low	28 Å²	28	96.1 Å²	96.1	29%	0.289	56%	0.558	S	S	.	*	H	α-helix	trans	-63.2	-36.6	173.6	0	0	0	0	0	113	A16 K22 K23 L24	A16-G20 PolarHBondContact O-N 3.06Å; G20-K22 PolarHBondContact O-N 2.96Å; G20-K23 PolarHBondContact O-N 3.3Å; G20-L24 VanDerWaalsContact O-CG 3.3Å; G20-L24 WeakPolarHBondContact O-CG 3.35Å; G20-L24 PolarHBondContact O-N 3.28Å
21	K	41.2	Very low	54.2	Low	105 Å²	105	98.1 Å²	98.1	46%	0.457	55%	0.55	S	S	.	.	H	α-helix	trans	-62.8	-41.8	-173.8	-135	-179.8	179.9	-174.3	0	114.3	A17 V18 L19 K23	A17-K21 PolarHBondContact O-N 2.98Å; V18-K21 PolarHBondContact O-N 3.37Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 PolarHBondContact O-N 3.44Å; K21-K23 VanDerWaalsContact C-N 3.31Å; K21-K23 PolarHBondContact O-N 3.4Å
22	K	43.2	Very low	57.6	Low	191 Å²	191	100.1 Å²	100.1	83%	0.83	55%	0.55	S	S	*	*	H	α-helix	trans	-69.4	-27.1	177.9	-93.7	-173.1	174.9	-178.8	0	112.8	G20	G20-K22 PolarHBondContact O-N 2.96Å
23	K	51.3	Low	60.7	Low	172 Å²	172	97.6 Å²	97.6	75%	0.748	53%	0.533	S	S	*	.	H	α-helix	trans	-83.5	-23.6	-173.9	-154.6	173	-177.9	179.3	0	113.5	G20 K21	G20-K23 PolarHBondContact O-N 3.3Å; K21-K23 VanDerWaalsContact C-N 3.31Å; K21-K23 PolarHBondContact O-N 3.4Å
24	L	57.4	Low	63.5	Low	27 Å²	27	97.2 Å²	97.2	14%	0.141	53%	0.53	C	S	.	.	S	Bend	trans	-83.8	-13.9	-174.2	-66.7	166.5	0	0	0	114.8	G20 E27 L67	G20-L24 VanDerWaalsContact O-CG 3.3Å; G20-L24 WeakPolarHBondContact O-CG 3.35Å; G20-L24 PolarHBondContact O-N 3.28Å; L24-E27 VanDerWaalsContact CD2-OE1 3.23Å; L24-E27 WeakPolarHBondContact CD2-OE1 3.11Å; L24-L67 HydrophobicContact CD1-CD1 3.49Å; L24-L67 VanDerWaalsContact CD1-CD1 3.49Å
25	I	60	Low	66.6	Low	134 Å²	134	96.8 Å²	96.8	69%	0.687	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-29.3	-173.3	-62	172.2	0	0	0	111.7
26	N	72.3	Confident	69.6	Low	145 Å²	145	99.5 Å²	99.5	78%	0.775	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	45.2	-175	-67.4	-10.2	0	0	0	112.5
27	E	86.8	Confident	72.3	Confident	48 Å²	48	103.6 Å²	103.6	22%	0.224	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-84.4	125.6	177.8	-62.2	-176.4	132.7	0	0	111.2	L24 V95 R104	L24-E27 VanDerWaalsContact CD2-OE1 3.23Å; L24-E27 WeakPolarHBondContact CD2-OE1 3.11Å; E27-V95 HydrophobicContact CB-CB 4.09Å; E27-V95 HydrophobicContact CB-CG1 3.72Å; E27-V95 HydrophobicContact CG-CG1 4.5Å; E27-R104 IonicContact OE1-CZ 3.42Å; E27-R104 IonicContact OE1-NE 3.11Å; E27-R104 PolarHBondContact OE1-NE 2.88Å; E27-R104 IonicContact OE1-NH2 3.43Å; E27-R104 PolarHBondContact OE1-NH2 3.41Å; E27-R104 IonicContact OE2-CZ 2.7Å; E27-R104 IonicContact OE2-NE 2.66Å; E27-R104 PolarHBondContact OE2-NE 3.15Å; E27-R104 IonicContact OE2-NH2 3.41Å
28	T	90.2	Very high	75.1	Confident	112 Å²	112	107.3 Å²	107.3	69%	0.687	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-85.8	133.1	170.4	-49.6	0	0	0	0	110	T30	T28-T30 PolarHBondContact O-N 2.77Å
29	V	94.9	Very high	78	Confident	65 Å²	65	102.9 Å²	102.9	39%	0.394	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123.7	170.1	179.1	0	0	0	0	109.1	Y93 K94	V29-Y93 HydrophobicContact CB-CD2 4.39Å; V29-Y93 HydrophobicContact CG1-CD2 4.22Å; V29-Y93 HydrophobicContact CG1-CG 4.27Å; V29-Y93 HydrophobicContact CG2-CD2 3.65Å; V29-Y93 HydrophobicContact CG2-CE2 3.91Å; V29-Y93 HydrophobicContact CG2-CG 4.19Å; V29-K94 CarbonylContact C-O 3.53Å; V29-K94 WeakPolarHBondContact CA-O 3.36Å
30	T	96.6	Very high	80.7	Confident	86 Å²	86	98.3 Å²	98.3	53%	0.528	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-24.5	178.2	58	0	0	0	0	112.7	T28 K94	T28-T30 PolarHBondContact O-N 2.77Å; T30-K94 PolarHBondContact N-O 3.32Å; T30-K94 WeakPolarHBondContact OG1-CB 3.45Å; T30-K94 PolarHBondContact OG1-O 3.03Å
31	K	97.3	Very high	83.2	Confident	131 Å²	131	99.7 Å²	99.7	57%	0.57	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.2	129.6	177.6	-173.6	166.6	-177.1	170.8	0	111.1	L33 Y93 K94	K31-L33 HydrophobicContact CD-CD2 4.22Å; K31-L33 HydrophobicContact CG-CD2 4.11Å; K31-Y93 CarbonylContact O-C 3.6Å; K31-Y93 VanDerWaalsContact O-CA 3.26Å; K31-Y93 WeakPolarHBondContact O-CA 3.19Å; K31-Y93 WeakPolarHBondContact O-CB 3.17Å; K31-K94 HydrophobicContact CB-CB 4.23Å; K31-K94 PolarHBondContact O-N 2.98Å
32	Q	97.8	Very high	85.9	Confident	126 Å²	126	97.5 Å²	97.5	59%	0.589	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.4	168	-64.8	-68.6	1	0	0	110.2
33	L	97.1	Very high	88.5	Confident	51 Å²	51	88.5 Å²	88.5	27%	0.267	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.4	-178.7	-59.3	177.8	0	0	0	110.5	K31 M92 K94 L103	K31-L33 HydrophobicContact CD-CD2 4.22Å; K31-L33 HydrophobicContact CG-CD2 4.11Å; L33-M92 WeakPolarHBondContact CA-O 3.28Å; L33-M92 HydrophobicContact CB-CB 4.31Å; L33-M92 HydrophobicContact CB-CG 4.23Å; L33-M92 HydrophobicContact CD1-CG 4.26Å; L33-M92 HydrophobicContact CD1-SD 4.39Å; L33-M92 PolarHBondContact N-O 3.2Å; L33-M92 VanDerWaalsContact O-O 3.06Å; L33-K94 HydrophobicContact CD1-CG 4.01Å; L33-L103 HydrophobicContact CD1-CD2 3.6Å
34	I	95.1	Very high	90.7	Very high	137 Å²	137	81.6 Å²	81.6	70%	0.703	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-89.1	122.7	163.9	-59.2	175.3	0	0	0	106.7
35	P	94.5	Very high	92.7	Very high	30 Å²	30	86.6 Å²	86.6	20%	0.195	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-54.5	141.6	173.4	-20.6	30.3	0	0	0	111	F89 M92	P35-F89 HydrophobicContact CB-CB 3.83Å; P35-F89 HydrophobicContact CB-CD2 4.23Å; P35-F89 HydrophobicContact CB-CG 4.23Å; P35-F89 HydrophobicContact CG-CB 3.35Å; P35-F89 HydrophobicContact CG-CG 4.09Å; P35-M92 HydrophobicContact CB-CE 4.4Å; P35-M92 HydrophobicContact CG-CB 3.97Å
36	R	94.4	Very high	94.5	Very high	142 Å²	142	81.8 Å²	81.8	54%	0.536	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-98.1	162	175.7	-54.9	-60.5	-161.5	172.9	4.5	109.7	W38 D39 E40	R36-W38 HydrophobicContact CB-CD2 3.67Å; R36-W38 HydrophobicContact CB-CE3 4.03Å; R36-W38 HydrophobicContact CB-CG 4.26Å; R36-W38 HydrophobicContact CB-CH2 3.88Å; R36-W38 HydrophobicContact CB-CZ2 3.5Å; R36-W38 HydrophobicContact CB-CZ3 4.12Å; R36-W38 HydrophobicContact CG-CH2 3.86Å; R36-W38 HydrophobicContact CG-CZ2 3.41Å; R36-W38 VanDerWaalsContact CG-CZ2 3.41Å; R36-W38 PolarHBondContact O-N 2.57Å; R36-W38 VanDerWaalsContact O-N 3.11Å; R36-D39 WeakPolarHBondContact CB-OD2 3.35Å; R36-D39 PolarHBondContact N-OD2 2.73Å; R36-D39 WeakPolarHBondContact O-CA 3.25Å; R36-D39 WeakPolarHBondContact O-CB 3.27Å; R36-D39 PolarHBondContact O-N 3.25Å; R36-E40 PolarHBondContact O-N 3.38Å
37	H	93.5	Very high	95.7	Very high	150 Å²	150	75 Å²	75	69%	0.694	37%	0.371	S	S	*	.	H	α-helix	trans	-57.4	-30	179.8	65.4	-93.1	0	0	0	113.2	A41	H37-A41 WeakPolarHBondContact O-CB 3.23Å; H37-A41 PolarHBondContact O-N 2.92Å
38	W	95.1	Very high	96.3	Very high	132 Å²	132	77.3 Å²	77.3	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-74.3	-31.6	173.5	58.4	76.1	0	0	0	113	R36 E40 A41 E42	R36-W38 HydrophobicContact CB-CD2 3.67Å; R36-W38 HydrophobicContact CB-CE3 4.03Å; R36-W38 HydrophobicContact CB-CG 4.26Å; R36-W38 HydrophobicContact CB-CH2 3.88Å; R36-W38 HydrophobicContact CB-CZ2 3.5Å; R36-W38 HydrophobicContact CB-CZ3 4.12Å; R36-W38 HydrophobicContact CG-CH2 3.86Å; R36-W38 HydrophobicContact CG-CZ2 3.41Å; R36-W38 VanDerWaalsContact CG-CZ2 3.41Å; R36-W38 PolarHBondContact O-N 2.57Å; R36-W38 VanDerWaalsContact O-N 3.11Å; W38-E40 VanDerWaalsContact C-N 3.32Å; W38-A41 PolarHBondContact O-N 3.05Å; W38-E42 WeakPolarHBondContact O-CB 3.28Å; W38-E42 WeakPolarHBondContact O-CG 3.18Å; W38-E42 PolarHBondContact O-N 3.13Å
39	D	96.2	Very high	96.7	Very high	12 Å²	12	74.3 Å²	74.3	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-44.3	173.4	-61.3	-54	0	0	0	109.4	R36 E42 I43 F89 M92	R36-D39 WeakPolarHBondContact CB-OD2 3.35Å; R36-D39 PolarHBondContact N-OD2 2.73Å; R36-D39 WeakPolarHBondContact O-CA 3.25Å; R36-D39 WeakPolarHBondContact O-CB 3.27Å; R36-D39 PolarHBondContact O-N 3.25Å; D39-E42 PolarHBondContact O-N 3.27Å; D39-I43 WeakPolarHBondContact O-CG2 3.45Å; D39-I43 PolarHBondContact O-N 3.13Å; D39-F89 HydrophobicContact CB-CD2 4.44Å; D39-F89 HydrophobicContact CB-CE2 4.1Å; D39-F89 WeakPolarHBondContact O-CE2 3.43Å; D39-M92 HydrophobicContact CB-CE 3.61Å
40	E	95.7	Very high	96.8	Very high	40 Å²	40	71.2 Å²	71.2	19%	0.187	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-44.3	174.3	-67	-62.4	165.7	0	0	112	R36 W38 I43 N44 H88 F89	R36-E40 PolarHBondContact O-N 3.38Å; W38-E40 VanDerWaalsContact C-N 3.32Å; E40-I43 VanDerWaalsContact O-CG2 3.3Å; E40-I43 WeakPolarHBondContact O-CG2 3.29Å; E40-N44 WeakPolarHBondContact O-CB 3.29Å; E40-N44 PolarHBondContact O-N 3.06Å; E40-N44 PolarHBondContact O-ND2 2.84Å; E40-H88 WeakPolarHBondContact OE2-CA 3.41Å; E40-H88 IonicContact OE2-ND1 3.75Å; E40-F89 WeakPolarHBondContact OE1-CB 3.42Å; E40-F89 PolarHBondContact OE1-N 3.16Å; E40-F89 VanDerWaalsContact OE1-N 3.08Å; E40-F89 PolarHBondContact OE2-N 2.64Å
41	A	97.3	Very high	96.9	Very high	57 Å²	57	67.3 Å²	67.3	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-46.9	176.2	0	0	0	0	0	112.1	H37 W38 I43 N44 E45	H37-A41 WeakPolarHBondContact O-CB 3.23Å; H37-A41 PolarHBondContact O-N 2.92Å; W38-A41 PolarHBondContact O-N 3.05Å; A41-I43 PolarHBondContact O-N 2.99Å; A41-N44 PolarHBondContact O-N 3.38Å; A41-E45 PolarHBondContact O-N 3.41Å
42	E	97.3	Very high	96.9	Very high	60 Å²	60	67.5 Å²	67.5	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-46.7	178.7	-78.3	-176.8	-172.4	0	0	111.7	W38 D39 R46 R126 W134	W38-E42 WeakPolarHBondContact O-CB 3.28Å; W38-E42 WeakPolarHBondContact O-CG 3.18Å; W38-E42 PolarHBondContact O-N 3.13Å; D39-E42 PolarHBondContact O-N 3.27Å; E42-R46 VanDerWaalsContact O-CB 3.26Å; E42-R46 WeakPolarHBondContact O-CB 3.46Å; E42-R46 PolarHBondContact O-N 2.85Å; E42-R126 IonicContact OE1-CZ 2.73Å; E42-R126 IonicContact OE1-NH2 3.36Å; E42-R126 PolarHBondContact OE1-NH2 3.04Å; E42-R126 IonicContact OE2-CZ 2.98Å; E42-R126 IonicContact OE2-NE 2.78Å; E42-R126 PolarHBondContact OE2-NE 2.65Å; E42-R126 IonicContact OE2-NH2 3.78Å; E42-R126 PolarHBondContact OE2-NH2 3.34Å; E42-R126 VanDerWaalsContact OE2-NH2 3.11Å; E42-W134 PolarHBondContact OE2-NE1 3.01Å
43	I	97.9	Very high	96.9	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-70.9	-35	-179	-166	65.1	0	0	0	112.1	D39 E40 A41 R46 L47 A87 F89 V107 V124 W134	D39-I43 WeakPolarHBondContact O-CG2 3.45Å; D39-I43 PolarHBondContact O-N 3.13Å; E40-I43 VanDerWaalsContact O-CG2 3.3Å; E40-I43 WeakPolarHBondContact O-CG2 3.29Å; A41-I43 PolarHBondContact O-N 2.99Å; I43-R46 PolarHBondContact O-N 2.93Å; I43-L47 HydrophobicContact CD1-CD1 4.1Å; I43-L47 HydrophobicContact CD1-CG 4.07Å; I43-L47 HydrophobicContact CG1-CD1 3.95Å; I43-L47 HydrophobicContact CG1-CG 4.21Å; I43-L47 WeakPolarHBondContact O-CB 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.47Å; I43-L47 PolarHBondContact O-N 3.22Å; I43-A87 HydrophobicContact CG1-CB 4.27Å; I43-A87 HydrophobicContact CG2-CB 4.13Å; I43-F89 HydrophobicContact CB-CD2 4.48Å; I43-F89 HydrophobicContact CB-CE2 3.64Å; I43-F89 HydrophobicContact CB-CZ 4.02Å; I43-F89 HydrophobicContact CG1-CE2 4.23Å; I43-F89 HydrophobicContact CG1-CZ 4.24Å; I43-F89 HydrophobicContact CG2-CD2 3.84Å; I43-F89 HydrophobicContact CG2-CE2 3.45Å; I43-F89 VanDerWaalsContact CG2-CE2 3.45Å; I43-F89 HydrophobicContact CG2-CZ 4.27Å; I43-V107 HydrophobicContact CD1-CG2 4.36Å; I43-V107 HydrophobicContact CG1-CG1 3.97Å; I43-V107 HydrophobicContact CG1-CG2 3.98Å; I43-V124 HydrophobicContact CD1-CG1 4.32Å; I43-W134 HydrophobicContact CD1-CB 3.81Å; I43-W134 HydrophobicContact CD1-CD2 4.49Å; I43-W134 HydrophobicContact CD1-CG 3.98Å
44	N	98.3	Very high	96.9	Very high	28 Å²	28	61.3 Å²	61.3	15%	0.15	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-46.9	175.4	-88.7	-84	0	0	0	111.5	E40 A41 R46 R48 F84 A87	E40-N44 WeakPolarHBondContact O-CB 3.29Å; E40-N44 PolarHBondContact O-N 3.06Å; E40-N44 PolarHBondContact O-ND2 2.84Å; A41-N44 PolarHBondContact O-N 3.38Å; N44-R46 VanDerWaalsContact C-N 3.35Å; N44-R48 WeakPolarHBondContact O-CB 3.39Å; N44-R48 PolarHBondContact O-N 3.01Å; N44-F84 HydrophobicContact CB-CZ 4.29Å; N44-F84 WeakPolarHBondContact OD1-CE1 2.83Å; N44-F84 VanDerWaalsContact OD1-CZ 3.25Å; N44-F84 WeakPolarHBondContact OD1-CZ 3.34Å; N44-A87 PolarHBondContact ND2-O 2.78Å; N44-A87 PolarHBondContact OD1-N 3.02Å
45	E	98.2	Very high	97	Very high	132 Å²	132	56 Å²	56	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-59.3	-48.3	174.9	-174.7	179.7	-175	0	0	110.8	A41 L47 R48 D49	A41-E45 PolarHBondContact O-N 3.41Å; E45-L47 PolarHBondContact O-N 2.87Å; E45-R48 WeakPolarHBondContact O-CB 3.5Å; E45-R48 PolarHBondContact O-N 3.38Å; E45-D49 PolarHBondContact O-N 3.07Å; E45-D49 VanDerWaalsContact O-N 3.08Å
46	R	97.8	Very high	97.2	Very high	33 Å²	33	59.9 Å²	59.9	13%	0.125	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-48.6	180	-170.3	72.5	174.8	142.2	2.1	112.1	E42 I43 N44 D49 F50 S64 F65 W134	E42-R46 VanDerWaalsContact O-CB 3.26Å; E42-R46 WeakPolarHBondContact O-CB 3.46Å; E42-R46 PolarHBondContact O-N 2.85Å; I43-R46 PolarHBondContact O-N 2.93Å; N44-R46 VanDerWaalsContact C-N 3.35Å; R46-D49 PolarHBondContact O-N 2.79Å; R46-F50 PolarHBondContact O-N 3.01Å; R46-S64 PolarHBondContact NH2-O 3.1Å; R46-S64 VanDerWaalsContact NH2-O 3.13Å; R46-F65 HydrophobicContact CG-CD1 3.98Å; R46-F65 HydrophobicContact CG-CE1 3.96Å; R46-F65 WeakPolarHBondContact O-CE1 3.46Å; R46-W134 HydrophobicContact CG-CB 4.21Å; R46-W134 PolarHBondContact NE-O 2.86Å
47	L	98.2	Very high	97.2	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-78.8	-22.3	-177	-64.9	-175.9	0	0	0	113	I43 E45 F50 T51 F84 A87 V107 Y109 I122 I136	I43-L47 HydrophobicContact CD1-CD1 4.1Å; I43-L47 HydrophobicContact CD1-CG 4.07Å; I43-L47 HydrophobicContact CG1-CD1 3.95Å; I43-L47 HydrophobicContact CG1-CG 4.21Å; I43-L47 WeakPolarHBondContact O-CB 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.47Å; I43-L47 PolarHBondContact O-N 3.22Å; E45-L47 PolarHBondContact O-N 2.87Å; L47-F50 HydrophobicContact CD2-CB 4.33Å; L47-F50 HydrophobicContact CD2-CD1 4.34Å; L47-F50 PolarHBondContact O-N 3.41Å; L47-T51 WeakPolarHBondContact O-CB 3.04Å; L47-T51 PolarHBondContact O-N 3.31Å; L47-T51 PolarHBondContact O-OG1 2.96Å; L47-F84 HydrophobicContact CB-CE2 3.8Å; L47-A87 HydrophobicContact CB-CB 4.33Å; L47-A87 HydrophobicContact CD1-CB 3.7Å; L47-A87 HydrophobicContact CG-CB 4.44Å; L47-V107 HydrophobicContact CD1-CG1 3.98Å; L47-Y109 HydrophobicContact CB-CD2 3.93Å; L47-Y109 HydrophobicContact CB-CE2 4.01Å; L47-Y109 HydrophobicContact CD1-CD2 3.8Å; L47-Y109 HydrophobicContact CD1-CG 3.95Å; L47-Y109 HydrophobicContact CG-CD2 4.4Å; L47-I122 HydrophobicContact CD1-CD1 3.7Å; L47-I122 HydrophobicContact CD2-CD1 4.12Å; L47-I136 HydrophobicContact CD2-CD1 4.03Å; L47-I136 HydrophobicContact CD2-CG1 4.36Å
48	R	98.5	Very high	97.2	Very high	97 Å²	97	49.4 Å²	49.4	37%	0.366	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-46	167.8	-172.2	-174.2	-52.8	-78.9	-3.6	111.1	N44 E45 T51 R52 F84	N44-R48 WeakPolarHBondContact O-CB 3.39Å; N44-R48 PolarHBondContact O-N 3.01Å; E45-R48 WeakPolarHBondContact O-CB 3.5Å; E45-R48 PolarHBondContact O-N 3.38Å; R48-T51 WeakPolarHBondContact O-CB 3.23Å; R48-T51 PolarHBondContact O-N 3.44Å; R48-R52 WeakPolarHBondContact O-CG 3.38Å; R48-R52 PolarHBondContact O-N 2.84Å; R48-F84 HydrophobicContact CB-CB 4.49Å; R48-F84 HydrophobicContact CB-CD1 4.11Å; R48-F84 HydrophobicContact CB-CD2 4.23Å; R48-F84 HydrophobicContact CB-CE1 4.39Å; R48-F84 HydrophobicContact CB-CG 4Å; R48-F84 HydrophobicContact CG-CB 4.22Å; R48-F84 HydrophobicContact CG-CD1 4.21Å; R48-F84 HydrophobicContact CG-CG 4.17Å; R48-F84 VanDerWaalsContact NH1-CD1 3.35Å
49	D	98.3	Very high	97	Very high	49 Å²	49	47.4 Å²	47.4	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-42.8	174.6	-78.5	-9.4	0	0	0	112.3	E45 R46 T51 R52 F53 F65	E45-D49 PolarHBondContact O-N 3.07Å; E45-D49 VanDerWaalsContact O-N 3.08Å; R46-D49 PolarHBondContact O-N 2.79Å; D49-T51 VanDerWaalsContact C-N 3.25Å; D49-T51 PolarHBondContact O-N 2.99Å; D49-R52 WeakPolarHBondContact O-CB 3.37Å; D49-R52 PolarHBondContact O-N 2.91Å; D49-R52 VanDerWaalsContact O-N 3.16Å; D49-R52 IonicContact OD1-CZ 3.02Å; D49-R52 IonicContact OD1-NH1 3.65Å; D49-R52 PolarHBondContact OD1-NH1 2.87Å; D49-F53 HydrophobicContact CB-CE2 4.2Å; D49-F53 WeakPolarHBondContact O-CD2 3.33Å; D49-F53 PolarHBondContact O-N 3.48Å; D49-F65 HydrophobicContact CB-CE1 4.26Å; D49-F65 HydrophobicContact CB-CZ 3.94Å
50	F	97.9	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-43.6	172.9	-178.7	-116	0	0	0	111.8	R46 L47 F53 L54 I62 F65 V66 F74 Y109 I136	R46-F50 PolarHBondContact O-N 3.01Å; L47-F50 HydrophobicContact CD2-CB 4.33Å; L47-F50 HydrophobicContact CD2-CD1 4.34Å; L47-F50 PolarHBondContact O-N 3.41Å; F50-F53 PolarHBondContact O-N 2.87Å; F50-L54 HydrophobicContact CD1-CD1 3.83Å; F50-L54 HydrophobicContact CD1-CG 4.41Å; F50-L54 HydrophobicContact CE1-CD1 3.45Å; F50-L54 VanDerWaalsContact CE1-CD1 3.45Å; F50-L54 HydrophobicContact CE1-CG 4.1Å; F50-L54 HydrophobicContact CE2-CG 4.38Å; F50-L54 HydrophobicContact CZ-CD1 3.87Å; F50-L54 HydrophobicContact CZ-CD2 4.16Å; F50-L54 HydrophobicContact CZ-CG 4.08Å; F50-L54 WeakPolarHBondContact O-CG 3.37Å; F50-L54 PolarHBondContact O-N 3.48Å; F50-I62 HydrophobicContact CE2-CG2 3.89Å; F50-F65 HydrophobicContact CB-CD1 3.74Å; F50-F65 HydrophobicContact CB-CE1 3.88Å; F50-F65 HydrophobicContact CB-CG 4.11Å; F50-F65 HydrophobicContact CB-CZ 4.39Å; F50-F65 HydrophobicContact CD2-CB 3.57Å; F50-F65 HydrophobicContact CD2-CD1 4.08Å; F50-F65 AromaticContact CD2-CD2 3.86Å; F50-F65 HydrophobicContact CD2-CD2 3.86Å; F50-F65 AromaticContact CD2-CG 3.57Å; F50-F65 HydrophobicContact CD2-CG 3.57Å; F50-F65 HydrophobicContact CE2-CB 3.98Å; F50-F65 HydrophobicContact CE2-CG 4.43Å; F50-F65 HydrophobicContact CG-CB 4.41Å; F50-F65 HydrophobicContact CG-CD1 4.28Å; F50-F65 HydrophobicContact CG-CG 4.23Å; F50-V66 HydrophobicContact CE2-CG2 4.35Å; F50-F74 HydrophobicContact CE1-CD1 4.23Å; F50-F74 HydrophobicContact CE1-CD2 4.15Å; F50-F74 HydrophobicContact CE1-CE1 4.22Å; F50-F74 HydrophobicContact CE1-CE2 4.14Å; F50-F74 HydrophobicContact CE1-CG 4.18Å; F50-F74 HydrophobicContact CE1-CZ 4.17Å; F50-F74 AromaticContact CZ-CD2 3.79Å; F50-F74 HydrophobicContact CZ-CD2 3.79Å; F50-F74 HydrophobicContact CZ-CE2 4.01Å; F50-F74 HydrophobicContact CZ-CG 4.1Å; F50-F74 HydrophobicContact CZ-CZ 4.5Å; F50-Y109 HydrophobicContact CD1-CE1 4.29Å; F50-Y109 HydrophobicContact CE1-CE1 4.3Å; F50-I136 HydrophobicContact CD1-CD1 4.05Å; F50-I136 HydrophobicContact CE1-CD1 3.75Å; F50-I136 HydrophobicContact CE2-CD1 4.24Å; F50-I136 HydrophobicContact CG-CD1 4.41Å; F50-I136 HydrophobicContact CZ-CD1 3.86Å
51	T	98.2	Very high	96.8	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-43.8	177.1	-54.1	0	0	0	0	111.6	L47 R48 D49 F53 L54 A55 L82 F84 Y109 V111	L47-T51 WeakPolarHBondContact O-CB 3.04Å; L47-T51 PolarHBondContact O-N 3.31Å; L47-T51 PolarHBondContact O-OG1 2.96Å; R48-T51 WeakPolarHBondContact O-CB 3.23Å; R48-T51 PolarHBondContact O-N 3.44Å; D49-T51 VanDerWaalsContact C-N 3.25Å; D49-T51 PolarHBondContact O-N 2.99Å; T51-F53 PolarHBondContact O-N 3.39Å; T51-L54 WeakPolarHBondContact O-CB 3.45Å; T51-L54 PolarHBondContact O-N 3.23Å; T51-A55 PolarHBondContact O-N 2.6Å; T51-L82 HydrophobicContact CG2-CB 3.69Å; T51-L82 HydrophobicContact CG2-CD1 4.05Å; T51-F84 HydrophobicContact CG2-CB 4.15Å; T51-Y109 WeakPolarHBondContact OG1-CE2 3.39Å; T51-Y109 PolarHBondContact OG1-OH 2.86Å; T51-V111 HydrophobicContact CG2-CG2 3.63Å
52	R	98.3	Very high	96.6	Very high	135 Å²	135	54.1 Å²	54.1	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-47.4	175.3	-68.6	170	179.9	145.7	-6.3	111.4	R48 D49 L54 A55 D56	R48-R52 WeakPolarHBondContact O-CG 3.38Å; R48-R52 PolarHBondContact O-N 2.84Å; D49-R52 WeakPolarHBondContact O-CB 3.37Å; D49-R52 PolarHBondContact O-N 2.91Å; D49-R52 VanDerWaalsContact O-N 3.16Å; D49-R52 IonicContact OD1-CZ 3.02Å; D49-R52 IonicContact OD1-NH1 3.65Å; D49-R52 PolarHBondContact OD1-NH1 2.87Å; R52-L54 VanDerWaalsContact C-N 3.34Å; R52-L54 PolarHBondContact O-N 3.27Å; R52-A55 WeakPolarHBondContact O-CB 3.06Å; R52-A55 PolarHBondContact O-N 3.14Å; R52-A55 VanDerWaalsContact O-N 3.12Å; R52-D56 PolarHBondContact O-N 2.83Å
53	F	97.6	Very high	96.3	Very high	47 Å²	47	54 Å²	54	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-69	-29.9	179.6	-63.6	-53.2	0	0	0	113.8	D49 F50 T51 G57 N58 K61 I62 F65	D49-F53 HydrophobicContact CB-CE2 4.2Å; D49-F53 WeakPolarHBondContact O-CD2 3.33Å; D49-F53 PolarHBondContact O-N 3.48Å; F50-F53 PolarHBondContact O-N 2.87Å; T51-F53 PolarHBondContact O-N 3.39Å; F53-G57 PolarHBondContact O-N 2.98Å; F53-N58 HydrophobicContact CD1-CB 4.36Å; F53-N58 PolarHBondContact O-N 3.37Å; F53-K61 HydrophobicContact CB-CB 3.98Å; F53-K61 HydrophobicContact CD1-CB 3.56Å; F53-K61 HydrophobicContact CD1-CG 3.81Å; F53-K61 HydrophobicContact CD2-CB 3.82Å; F53-K61 HydrophobicContact CE1-CB 3.94Å; F53-K61 HydrophobicContact CE1-CD 4.2Å; F53-K61 HydrophobicContact CE1-CG 3.74Å; F53-K61 HydrophobicContact CE2-CB 4.16Å; F53-K61 HydrophobicContact CE2-CD 4.48Å; F53-K61 HydrophobicContact CE2-CG 4.49Å; F53-K61 HydrophobicContact CG-CB 3.5Å; F53-K61 VanDerWaalsContact CG-CB 3.5Å; F53-K61 HydrophobicContact CG-CG 4.24Å; F53-K61 HydrophobicContact CZ-CB 4.22Å; F53-K61 HydrophobicContact CZ-CD 4.09Å; F53-K61 HydrophobicContact CZ-CG 4.09Å; F53-I62 HydrophobicContact CB-CG1 4.09Å; F53-I62 WeakPolarHBondContact O-CD1 3.07Å; F53-F65 AromaticContact CD2-CE2 3.48Å; F53-F65 HydrophobicContact CD2-CE2 3.48Å; F53-F65 VanDerWaalsContact CD2-CE2 3.48Å; F53-F65 AromaticContact CD2-CZ 3.79Å; F53-F65 HydrophobicContact CD2-CZ 3.79Å; F53-F65 AromaticContact CE2-CE2 3.8Å; F53-F65 HydrophobicContact CE2-CE2 3.8Å; F53-F65 AromaticContact CE2-CZ 3.86Å; F53-F65 HydrophobicContact CE2-CZ 3.86Å
54	L	97.3	Very high	96.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-48.7	167.5	-75.8	174.1	0	0	0	110.7	F50 T51 R52 D56 G57 I62 F74 L77 K78 K79 L82	F50-L54 HydrophobicContact CD1-CD1 3.83Å; F50-L54 HydrophobicContact CD1-CG 4.41Å; F50-L54 HydrophobicContact CE1-CD1 3.45Å; F50-L54 VanDerWaalsContact CE1-CD1 3.45Å; F50-L54 HydrophobicContact CE1-CG 4.1Å; F50-L54 HydrophobicContact CE2-CG 4.38Å; F50-L54 HydrophobicContact CZ-CD1 3.87Å; F50-L54 HydrophobicContact CZ-CD2 4.16Å; F50-L54 HydrophobicContact CZ-CG 4.08Å; F50-L54 WeakPolarHBondContact O-CG 3.37Å; F50-L54 PolarHBondContact O-N 3.48Å; T51-L54 WeakPolarHBondContact O-CB 3.45Å; T51-L54 PolarHBondContact O-N 3.23Å; R52-L54 VanDerWaalsContact C-N 3.34Å; R52-L54 PolarHBondContact O-N 3.27Å; L54-D56 VanDerWaalsContact C-N 3.29Å; L54-D56 PolarHBondContact O-N 3.3Å; L54-G57 PolarHBondContact O-N 3.4Å; L54-I62 HydrophobicContact CD2-CD1 3.98Å; L54-I62 HydrophobicContact CD2-CG1 4.17Å; L54-I62 HydrophobicContact CD2-CG2 4.27Å; L54-F74 HydrophobicContact CD1-CB 4.29Å; L54-F74 HydrophobicContact CD2-CB 3.89Å; L54-L77 HydrophobicContact CD1-CB 4.34Å; L54-L77 HydrophobicContact CD1-CD1 4.25Å; L54-K78 HydrophobicContact CD2-CG 3.94Å; L54-K78 VanDerWaalsContact O-CA 3.27Å; L54-K78 WeakPolarHBondContact O-CA 3.5Å; L54-K79 PolarHBondContact O-N 3.35Å; L54-L82 HydrophobicContact CB-CD1 3.64Å
55	A	97.6	Very high	96	Very high	25 Å²	25	55.4 Å²	55.4	21%	0.207	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-43	178.4	0	0	0	0	0	111.5	T51 R52 G57 K79 Q80 L82	T51-A55 PolarHBondContact O-N 2.6Å; R52-A55 WeakPolarHBondContact O-CB 3.06Å; R52-A55 PolarHBondContact O-N 3.14Å; R52-A55 VanDerWaalsContact O-N 3.12Å; A55-G57 VanDerWaalsContact C-N 3.27Å; A55-G57 PolarHBondContact O-N 3.49Å; A55-K79 WeakPolarHBondContact O-CA 3.46Å; A55-K79 PolarHBondContact O-N 2.84Å; A55-Q80 WeakPolarHBondContact CA-O 3.37Å; A55-Q80 WeakPolarHBondContact CB-O 3.45Å; A55-L82 HydrophobicContact CB-CB 4.12Å; A55-L82 HydrophobicContact CB-CD1 4.1Å; A55-L82 HydrophobicContact CB-CG 4.09Å
56	D	96.7	Very high	95.7	Very high	113 Å²	113	49.8 Å²	49.8	60%	0.604	25%	0.25	S	S	*	.	H	α-helix	trans	-71.1	-19.8	176.3	-63.1	-20	0	0	0	113.5	R52 L54 N58	R52-D56 PolarHBondContact O-N 2.83Å; L54-D56 VanDerWaalsContact C-N 3.29Å; L54-D56 PolarHBondContact O-N 3.3Å; D56-N58 VanDerWaalsContact C-N 3.3Å; D56-N58 HydrophobicContact CB-CB 4.36Å; D56-N58 PolarHBondContact O-N 3.02Å
57	G	94.3	Very high	95.2	Very high	11 Å²	11	49.9 Å²	49.9	11%	0.113	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	29.8	-171.4	0	0	0	0	0	113.6	F53 L54 A55 E59	F53-G57 PolarHBondContact O-N 2.98Å; L54-G57 PolarHBondContact O-N 3.4Å; A55-G57 VanDerWaalsContact C-N 3.27Å; A55-G57 PolarHBondContact O-N 3.49Å; G57-E59 PolarHBondContact O-N 3.35Å; G57-E59 VanDerWaalsContact O-N 3.11Å
58	N	94.3	Very high	94.2	Very high	60 Å²	60	51.4 Å²	51.4	32%	0.321	27%	0.269	S	S	.	.			trans	-79.8	89.3	-178.6	-172.6	-31.9	0	0	0	111.1	F53 D56 E60 K61 I62	F53-N58 HydrophobicContact CD1-CB 4.36Å; F53-N58 PolarHBondContact O-N 3.37Å; D56-N58 VanDerWaalsContact C-N 3.3Å; D56-N58 HydrophobicContact CB-CB 4.36Å; D56-N58 PolarHBondContact O-N 3.02Å; N58-E60 VanDerWaalsContact C-N 3.3Å; N58-E60 PolarHBondContact O-N 2.76Å; N58-E60 PolarHBondContact OD1-N 2.79Å; N58-K61 HydrophobicContact CB-CB 4.12Å; N58-K61 HydrophobicContact CB-CG 4.37Å; N58-K61 VanDerWaalsContact CG-CG 3.46Å; N58-K61 WeakPolarHBondContact ND2-CG 3.41Å; N58-K61 PolarHBondContact O-N 3.38Å; N58-K61 VanDerWaalsContact O-N 3.17Å; N58-K61 WeakPolarHBondContact OD1-CG 3.48Å; N58-K61 PolarHBondContact OD1-N 3.09Å; N58-I62 WeakPolarHBondContact O-CB 3.39Å; N58-I62 WeakPolarHBondContact O-CD1 3.42Å; N58-I62 WeakPolarHBondContact O-CG1 3.25Å; N58-I62 PolarHBondContact O-N 3.27Å
59	E	91.3	Very high	92.5	Very high	91 Å²	91	56 Å²	56	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-55.7	-39.6	-175.2	-65.1	-68.3	170.9	0	0	113.8	G57 A63 I71 K78	G57-E59 PolarHBondContact O-N 3.35Å; G57-E59 VanDerWaalsContact O-N 3.11Å; E59-A63 VanDerWaalsContact O-CB 3.26Å; E59-A63 WeakPolarHBondContact O-CB 3.45Å; E59-A63 PolarHBondContact O-N 3.38Å; E59-I71 WeakPolarHBondContact OE2-CD1 3.43Å; E59-K78 WeakPolarHBondContact OE1-CE 3.31Å; E59-K78 IonicContact OE1-NZ 2.85Å; E59-K78 PolarHBondContact OE1-NZ 3.04Å; E59-K78 IonicContact OE2-NZ 2.65Å
60	E	92.6	Very high	91	Very high	155 Å²	155	57.4 Å²	57.4	72%	0.724	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-47.1	179	-174.4	-172.3	162.7	0	0	110.8	N58 A63 S64	N58-E60 VanDerWaalsContact C-N 3.3Å; N58-E60 PolarHBondContact O-N 2.76Å; N58-E60 PolarHBondContact OD1-N 2.79Å; E60-A63 PolarHBondContact O-N 2.82Å; E60-S64 PolarHBondContact O-N 3.04Å
61	K	94.6	Very high	90	Very high	95 Å²	95	58.6 Å²	58.6	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-45.1	177.7	-67.2	-66.5	-176.4	-176.4	0	111.2	F53 N58 A63 S64 F65	F53-K61 HydrophobicContact CB-CB 3.98Å; F53-K61 HydrophobicContact CD1-CB 3.56Å; F53-K61 HydrophobicContact CD1-CG 3.81Å; F53-K61 HydrophobicContact CD2-CB 3.82Å; F53-K61 HydrophobicContact CE1-CB 3.94Å; F53-K61 HydrophobicContact CE1-CD 4.2Å; F53-K61 HydrophobicContact CE1-CG 3.74Å; F53-K61 HydrophobicContact CE2-CB 4.16Å; F53-K61 HydrophobicContact CE2-CD 4.48Å; F53-K61 HydrophobicContact CE2-CG 4.49Å; F53-K61 HydrophobicContact CG-CB 3.5Å; F53-K61 VanDerWaalsContact CG-CB 3.5Å; F53-K61 HydrophobicContact CG-CG 4.24Å; F53-K61 HydrophobicContact CZ-CB 4.22Å; F53-K61 HydrophobicContact CZ-CD 4.09Å; F53-K61 HydrophobicContact CZ-CG 4.09Å; N58-K61 HydrophobicContact CB-CB 4.12Å; N58-K61 HydrophobicContact CB-CG 4.37Å; N58-K61 VanDerWaalsContact CG-CG 3.46Å; N58-K61 WeakPolarHBondContact ND2-CG 3.41Å; N58-K61 PolarHBondContact O-N 3.38Å; N58-K61 VanDerWaalsContact O-N 3.17Å; N58-K61 WeakPolarHBondContact OD1-CG 3.48Å; N58-K61 PolarHBondContact OD1-N 3.09Å; K61-A63 VanDerWaalsContact C-N 3.31Å; K61-A63 PolarHBondContact O-N 2.75Å; K61-S64 WeakPolarHBondContact O-CB 3.31Å; K61-S64 PolarHBondContact O-N 2.69Å; K61-S64 PolarHBondContact O-OG 3.01Å; K61-F65 WeakPolarHBondContact O-CD2 3.11Å; K61-F65 WeakPolarHBondContact O-CE2 3.35Å
62	I	93.5	Very high	89.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-55.6	-46.8	176.2	-66.8	161.8	0	0	0	110.6	F50 F53 L54 N58 S64 F65 I71 K78	F50-I62 HydrophobicContact CE2-CG2 3.89Å; F53-I62 HydrophobicContact CB-CG1 4.09Å; F53-I62 WeakPolarHBondContact O-CD1 3.07Å; L54-I62 HydrophobicContact CD2-CD1 3.98Å; L54-I62 HydrophobicContact CD2-CG1 4.17Å; L54-I62 HydrophobicContact CD2-CG2 4.27Å; N58-I62 WeakPolarHBondContact O-CB 3.39Å; N58-I62 WeakPolarHBondContact O-CD1 3.42Å; N58-I62 WeakPolarHBondContact O-CG1 3.25Å; N58-I62 PolarHBondContact O-N 3.27Å; I62-S64 PolarHBondContact O-N 2.86Å; I62-F65 PolarHBondContact O-N 3.5Å; I62-F65 VanDerWaalsContact O-N 3.08Å; I62-I71 HydrophobicContact CG2-CB 4.36Å; I62-I71 HydrophobicContact CG2-CD1 3.78Å; I62-I71 HydrophobicContact CG2-CG2 3.85Å; I62-K78 HydrophobicContact CD1-CD 4.01Å; I62-K78 HydrophobicContact CD1-CG 4.32Å
63	A	91.5	Very high	89.1	Confident	56 Å²	56	61.5 Å²	61.5	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-29	179.3	0	0	0	0	0	113	E59 E60 K61 F65 V66	E59-A63 VanDerWaalsContact O-CB 3.26Å; E59-A63 WeakPolarHBondContact O-CB 3.45Å; E59-A63 PolarHBondContact O-N 3.38Å; E60-A63 PolarHBondContact O-N 2.82Å; K61-A63 VanDerWaalsContact C-N 3.31Å; K61-A63 PolarHBondContact O-N 2.75Å; A63-F65 PolarHBondContact O-N 3.49Å; A63-V66 PolarHBondContact O-N 2.99Å
64	S	93.1	Very high	88.9	Confident	56 Å²	56	59.3 Å²	59.3	39%	0.392	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.6	177.1	80.5	0	0	0	0	114.8	R46 E60 K61 I62 Y135	R46-S64 PolarHBondContact NH2-O 3.1Å; R46-S64 VanDerWaalsContact NH2-O 3.13Å; E60-S64 PolarHBondContact O-N 3.04Å; K61-S64 WeakPolarHBondContact O-CB 3.31Å; K61-S64 PolarHBondContact O-N 2.69Å; K61-S64 PolarHBondContact O-OG 3.01Å; I62-S64 PolarHBondContact O-N 2.86Å; S64-Y135 WeakPolarHBondContact O-CE1 3.37Å
65	F	95.1	Very high	88.6	Confident	3 Å²	3	62.7 Å²	62.7	1%	0.013	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.3	176.7	-69.7	-101.9	0	0	0	113.3	R46 D49 F50 F53 K61 I62 A63 Y135 I136	R46-F65 HydrophobicContact CG-CD1 3.98Å; R46-F65 HydrophobicContact CG-CE1 3.96Å; R46-F65 WeakPolarHBondContact O-CE1 3.46Å; D49-F65 HydrophobicContact CB-CE1 4.26Å; D49-F65 HydrophobicContact CB-CZ 3.94Å; F50-F65 HydrophobicContact CB-CD1 3.74Å; F50-F65 HydrophobicContact CB-CE1 3.88Å; F50-F65 HydrophobicContact CB-CG 4.11Å; F50-F65 HydrophobicContact CB-CZ 4.39Å; F50-F65 HydrophobicContact CD2-CB 3.57Å; F50-F65 HydrophobicContact CD2-CD1 4.08Å; F50-F65 AromaticContact CD2-CD2 3.86Å; F50-F65 HydrophobicContact CD2-CD2 3.86Å; F50-F65 AromaticContact CD2-CG 3.57Å; F50-F65 HydrophobicContact CD2-CG 3.57Å; F50-F65 HydrophobicContact CE2-CB 3.98Å; F50-F65 HydrophobicContact CE2-CG 4.43Å; F50-F65 HydrophobicContact CG-CB 4.41Å; F50-F65 HydrophobicContact CG-CD1 4.28Å; F50-F65 HydrophobicContact CG-CG 4.23Å; F53-F65 AromaticContact CD2-CE2 3.48Å; F53-F65 HydrophobicContact CD2-CE2 3.48Å; F53-F65 VanDerWaalsContact CD2-CE2 3.48Å; F53-F65 AromaticContact CD2-CZ 3.79Å; F53-F65 HydrophobicContact CD2-CZ 3.79Å; F53-F65 AromaticContact CE2-CE2 3.8Å; F53-F65 HydrophobicContact CE2-CE2 3.8Å; F53-F65 AromaticContact CE2-CZ 3.86Å; F53-F65 HydrophobicContact CE2-CZ 3.86Å; K61-F65 WeakPolarHBondContact O-CD2 3.11Å; K61-F65 WeakPolarHBondContact O-CE2 3.35Å; I62-F65 PolarHBondContact O-N 3.5Å; I62-F65 VanDerWaalsContact O-N 3.08Å; A63-F65 PolarHBondContact O-N 3.49Å; F65-Y135 CarbonylContact O-C 3.6Å; F65-Y135 VanDerWaalsContact O-CA 3.3Å; F65-Y135 WeakPolarHBondContact O-CA 3.4Å; F65-I136 PolarHBondContact O-N 2.89Å
66	V	92.3	Very high	88.4	Confident	14 Å²	14	64.8 Å²	64.8	9%	0.085	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-117.7	132.7	-167.2	-175.2	0	0	0	0	111.3	F50 A63 G68 I71 I136	F50-V66 HydrophobicContact CE2-CG2 4.35Å; A63-V66 PolarHBondContact O-N 2.99Å; V66-G68 PolarHBondContact O-N 3.46Å; V66-I71 HydrophobicContact CB-CG2 4Å; V66-I71 HydrophobicContact CG1-CG2 4.21Å; V66-I71 HydrophobicContact CG2-CG2 3.51Å; V66-I136 CarbonylContact C-O 3.49Å; V66-I136 WeakPolarHBondContact CA-O 3.17Å; V66-I136 WeakPolarHBondContact CG1-O 3.4Å; V66-I136 HydrophobicContact CG2-CB 4.14Å; V66-I136 HydrophobicContact CG2-CD1 4.43Å
67	L	88.6	Confident	88.2	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.188	33%	0.325	C	S	.	.	S	Bend	trans	-77.5	106.8	170.8	-57.7	-175	0	0	0	109.8	L24 A125 L127 Y135 I136 Q137	L24-L67 HydrophobicContact CD1-CD1 3.49Å; L24-L67 VanDerWaalsContact CD1-CD1 3.49Å; L67-A125 HydrophobicContact CD1-CB 4.23Å; L67-L127 HydrophobicContact CD1-CD1 3.54Å; L67-L127 HydrophobicContact CD2-CD1 3.95Å; L67-L127 HydrophobicContact CG-CD1 4.38Å; L67-Y135 HydrophobicContact CD2-CD1 3.86Å; L67-Y135 HydrophobicContact CD2-CG 3.75Å; L67-Y135 HydrophobicContact CG-CG 4.32Å; L67-I136 PolarHBondContact N-O 3.45Å; L67-Q137 HydrophobicContact CD1-CG 3.93Å
68	G	76.3	Confident	88.3	Confident	33 Å²	33	61.3 Å²	61.3	34%	0.34	33%	0.33	S	S	.	.	S	Bend	trans	100.7	-142.2	177	0	0	0	0	0	113	V66	V66-G68 PolarHBondContact O-N 3.46Å
69	K	64	Low	88.3	Confident	193 Å²	193	66.6 Å²	66.6	84%	0.839	35%	0.35	S	S	*	.	S	Bend	trans	-119.4	-11.2	-164.8	-70.4	-164.9	176.5	-172.7	0	115.9	I71	K69-I71 PolarHBondContact O-N 2.76Å
70	S	66.2	Low	88.5	Confident	79 Å²	79	65.3 Å²	65.3	55%	0.552	34%	0.344	S	S	*	.			trans	-100.7	78.8	-170.3	-168.4	0	0	0	0	112.4
71	I	76.7	Confident	88.7	Confident	25 Å²	25	64.4 Å²	64.4	13%	0.128	34%	0.34	C	S	.	.			trans	-80.3	4.4	159.4	57.7	163.1	0	0	0	112	E59 I62 V66 K69 P73 F74 N75	E59-I71 WeakPolarHBondContact OE2-CD1 3.43Å; I62-I71 HydrophobicContact CG2-CB 4.36Å; I62-I71 HydrophobicContact CG2-CD1 3.78Å; I62-I71 HydrophobicContact CG2-CG2 3.85Å; V66-I71 HydrophobicContact CB-CG2 4Å; V66-I71 HydrophobicContact CG1-CG2 4.21Å; V66-I71 HydrophobicContact CG2-CG2 3.51Å; K69-I71 PolarHBondContact O-N 2.76Å; I71-P73 VanDerWaalsContact C-N 3.28Å; I71-P73 VanDerWaalsContact O-N 3.13Å; I71-F74 PolarHBondContact O-N 2.91Å; I71-N75 PolarHBondContact O-N 3.44Å
72	K	86.7	Confident	88.8	Confident	159 Å²	159	61.1 Å²	61.1	69%	0.691	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-47.4	-41.8	-174.9	-173.4	-177.2	177.3	-174.2	0	113.8	F74 N75	K72-F74 PolarHBondContact O-N 2.74Å; K72-N75 WeakPolarHBondContact O-CB 3.24Å; K72-N75 PolarHBondContact O-N 2.67Å; K72-N75 VanDerWaalsContact O-N 3.14Å
73	P	90.6	Very high	88.9	Confident	40 Å²	40	63.8 Å²	63.8	26%	0.26	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-60.5	-30.1	177.7	-25.5	36.7	0	0	0	114	I71 Y120 V139	I71-P73 VanDerWaalsContact C-N 3.28Å; I71-P73 VanDerWaalsContact O-N 3.13Å; P73-Y120 HydrophobicContact CB-CE1 4.48Å; P73-V139 HydrophobicContact CB-CB 4.21Å; P73-V139 HydrophobicContact CB-CG1 4.42Å; P73-V139 HydrophobicContact CB-CG2 3.78Å; P73-V139 HydrophobicContact CG-CB 4.01Å; P73-V139 HydrophobicContact CG-CG2 3.81Å
74	F	93.2	Very high	89.1	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.009	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-89.9	-0.2	179.8	-53.9	-67.9	0	0	0	113.5	F50 L54 I71 K72 S76 L77 Y109 Y120 I122 I136 V139	F50-F74 HydrophobicContact CE1-CD1 4.23Å; F50-F74 HydrophobicContact CE1-CD2 4.15Å; F50-F74 HydrophobicContact CE1-CE1 4.22Å; F50-F74 HydrophobicContact CE1-CE2 4.14Å; F50-F74 HydrophobicContact CE1-CG 4.18Å; F50-F74 HydrophobicContact CE1-CZ 4.17Å; F50-F74 AromaticContact CZ-CD2 3.79Å; F50-F74 HydrophobicContact CZ-CD2 3.79Å; F50-F74 HydrophobicContact CZ-CE2 4.01Å; F50-F74 HydrophobicContact CZ-CG 4.1Å; F50-F74 HydrophobicContact CZ-CZ 4.5Å; L54-F74 HydrophobicContact CD1-CB 4.29Å; L54-F74 HydrophobicContact CD2-CB 3.89Å; I71-F74 PolarHBondContact O-N 2.91Å; K72-F74 PolarHBondContact O-N 2.74Å; F74-S76 PolarHBondContact O-N 3.32Å; F74-L77 HydrophobicContact CD1-CD1 4.21Å; F74-L77 WeakPolarHBondContact O-CA 2.98Å; F74-L77 WeakPolarHBondContact O-CB 3.39Å; F74-L77 PolarHBondContact O-N 3.09Å; F74-Y109 HydrophobicContact CE1-CD1 4.08Å; F74-Y109 AromaticContact CE1-CE1 3.98Å; F74-Y109 HydrophobicContact CE1-CE1 3.98Å; F74-Y120 AromaticContact CD1-CD1 3.96Å; F74-Y120 HydrophobicContact CD1-CD1 3.96Å; F74-Y120 AromaticContact CD1-CE1 3.58Å; F74-Y120 HydrophobicContact CD1-CE1 3.58Å; F74-Y120 HydrophobicContact CD1-CE2 4.42Å; F74-Y120 AromaticContact CD1-CZ 3.88Å; F74-Y120 AromaticContact CE1-CD1 3.39Å; F74-Y120 HydrophobicContact CE1-CD1 3.39Å; F74-Y120 HydrophobicContact CE1-CD2 4.2Å; F74-Y120 AromaticContact CE1-CE1 3.54Å; F74-Y120 HydrophobicContact CE1-CE1 3.54Å; F74-Y120 HydrophobicContact CE1-CE2 4.36Å; F74-Y120 AromaticContact CE1-CG 3.75Å; F74-Y120 HydrophobicContact CE1-CG 3.75Å; F74-Y120 HydrophobicContact CZ-CD1 4.15Å; F74-I122 HydrophobicContact CZ-CG2 4.09Å; F74-I136 HydrophobicContact CE2-CD1 4.29Å; F74-I136 HydrophobicContact CZ-CD1 4.37Å; F74-V139 HydrophobicContact CE1-CG2 4.28Å; F74-V139 HydrophobicContact CE2-CG2 3.65Å; F74-V139 HydrophobicContact CZ-CG2 3.5Å
75	N	92	Very high	89.1	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.374	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60	-34.4	-176.8	-82.3	-17.7	0	0	0	112.4	I71 K72 L77 K78	I71-N75 PolarHBondContact O-N 3.44Å; K72-N75 WeakPolarHBondContact O-CB 3.24Å; K72-N75 PolarHBondContact O-N 2.67Å; K72-N75 VanDerWaalsContact O-N 3.14Å; N75-L77 PolarHBondContact O-N 3.08Å; N75-K78 PolarHBondContact O-N 2.88Å; N75-K78 WeakPolarHBondContact OD1-CE 3.34Å; N75-K78 PolarHBondContact OD1-NZ 2.87Å
76	S	91.9	Very high	89	Confident	70 Å²	70	61.8 Å²	61.8	49%	0.49	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.1	176.2	56.7	0	0	0	0	113	F74 Q80	F74-S76 PolarHBondContact O-N 3.32Å; S76-Q80 PolarHBondContact O-NE2 2.89Å
77	L	94.3	Very high	89.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-89.8	-11	178	-62.4	-174.3	0	0	0	113.8	L54 F74 N75 Q80 L82 V111 T113 Y118 Y120	L54-L77 HydrophobicContact CD1-CB 4.34Å; L54-L77 HydrophobicContact CD1-CD1 4.25Å; F74-L77 HydrophobicContact CD1-CD1 4.21Å; F74-L77 WeakPolarHBondContact O-CA 2.98Å; F74-L77 WeakPolarHBondContact O-CB 3.39Å; F74-L77 PolarHBondContact O-N 3.09Å; N75-L77 PolarHBondContact O-N 3.08Å; L77-Q80 WeakPolarHBondContact O-CG 3.4Å; L77-Q80 PolarHBondContact O-NE2 2.9Å; L77-L82 HydrophobicContact CB-CD1 4.21Å; L77-L82 HydrophobicContact CB-CD2 4.32Å; L77-L82 HydrophobicContact CD2-CD2 4.16Å; L77-L82 WeakPolarHBondContact O-CD1 3.33Å; L77-V111 HydrophobicContact CD1-CG1 3.55Å; L77-T113 HydrophobicContact CD2-CG2 4.22Å; L77-Y118 HydrophobicContact CD2-CD2 3.92Å; L77-Y118 HydrophobicContact CD2-CE2 4.02Å; L77-Y120 HydrophobicContact CD1-CE2 3.81Å; L77-Y120 WeakPolarHBondContact CD1-OH 3.11Å
78	K	94.9	Very high	89.5	Confident	51 Å²	51	61.7 Å²	61.7	22%	0.222	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	148	-173.8	-64.3	-173.2	-55.5	-168.4	0	112.8	L54 E59 I62 N75 Q80	L54-K78 HydrophobicContact CD2-CG 3.94Å; L54-K78 VanDerWaalsContact O-CA 3.27Å; L54-K78 WeakPolarHBondContact O-CA 3.5Å; E59-K78 WeakPolarHBondContact OE1-CE 3.31Å; E59-K78 IonicContact OE1-NZ 2.85Å; E59-K78 PolarHBondContact OE1-NZ 3.04Å; E59-K78 IonicContact OE2-NZ 2.65Å; I62-K78 HydrophobicContact CD1-CD 4.01Å; I62-K78 HydrophobicContact CD1-CG 4.32Å; N75-K78 PolarHBondContact O-N 2.88Å; N75-K78 WeakPolarHBondContact OD1-CE 3.34Å; N75-K78 PolarHBondContact OD1-NZ 2.87Å; K78-Q80 VanDerWaalsContact C-N 3.34Å; K78-Q80 PolarHBondContact O-N 2.87Å
79	K	94.9	Very high	90.4	Very high	170 Å²	170	60.2 Å²	60.2	74%	0.739	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	42.1	172.3	-60.9	-174	177.2	-175.9	0	113.9	L54 A55	L54-K79 PolarHBondContact O-N 3.35Å; A55-K79 WeakPolarHBondContact O-CA 3.46Å; A55-K79 PolarHBondContact O-N 2.84Å
80	Q	94.9	Very high	91.8	Very high	65 Å²	65	54.2 Å²	54.2	30%	0.304	28%	0.278	S	S	.	.	S	Bend	trans	-141.7	166.7	172.2	69.8	-174.3	-60.3	0	0	110.2	A55 S76 L77 K78 L82 T113	A55-Q80 WeakPolarHBondContact CA-O 3.37Å; A55-Q80 WeakPolarHBondContact CB-O 3.45Å; S76-Q80 PolarHBondContact O-NE2 2.89Å; L77-Q80 WeakPolarHBondContact O-CG 3.4Å; L77-Q80 PolarHBondContact O-NE2 2.9Å; K78-Q80 VanDerWaalsContact C-N 3.34Å; K78-Q80 PolarHBondContact O-N 2.87Å; Q80-L82 HydrophobicContact CG-CD2 3.66Å; Q80-L82 HydrophobicContact CG-CG 4.11Å; Q80-L82 PolarHBondContact O-N 2.83Å; Q80-T113 HydrophobicContact CG-CG2 4.47Å
81	E	96.5	Very high	93.2	Very high	136 Å²	136	52 Å²	52	64%	0.636	26%	0.262	S	S	*	.			trans	-61.4	124.5	169.8	-174.9	-178.3	163	0	0	109.7	P114	E81-P114 HydrophobicContact CB-CG 3.81Å; E81-P114 HydrophobicContact CG-CG 4.08Å; E81-P114 WeakPolarHBondContact O-CD 3.36Å; E81-P114 WeakPolarHBondContact OE2-CG 3.16Å
82	L	97.4	Very high	94.2	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.136	26%	0.257	C	S	.	.			trans	-128.3	138.9	176.7	-61.2	179.3	0	0	0	110.5	T51 L54 A55 L77 Q80 V111 A112 T113	T51-L82 HydrophobicContact CG2-CB 3.69Å; T51-L82 HydrophobicContact CG2-CD1 4.05Å; L54-L82 HydrophobicContact CB-CD1 3.64Å; A55-L82 HydrophobicContact CB-CB 4.12Å; A55-L82 HydrophobicContact CB-CD1 4.1Å; A55-L82 HydrophobicContact CB-CG 4.09Å; L77-L82 HydrophobicContact CB-CD1 4.21Å; L77-L82 HydrophobicContact CB-CD2 4.32Å; L77-L82 HydrophobicContact CD2-CD2 4.16Å; L77-L82 WeakPolarHBondContact O-CD1 3.33Å; Q80-L82 HydrophobicContact CG-CD2 3.66Å; Q80-L82 HydrophobicContact CG-CG 4.11Å; Q80-L82 PolarHBondContact O-N 2.83Å; L82-V111 HydrophobicContact CB-CG2 4.14Å; L82-V111 HydrophobicContact CD1-CG2 4.35Å; L82-V111 HydrophobicContact CD2-CG2 4.14Å; L82-V111 HydrophobicContact CG-CG2 4.46Å; L82-A112 CarbonylContact C-O 3.5Å; L82-A112 VanDerWaalsContact CA-O 3.25Å; L82-A112 WeakPolarHBondContact CA-O 3.36Å; L82-T113 HydrophobicContact CD2-CG2 3.95Å
83	T	95.8	Very high	94.7	Very high	55 Å²	55	44.5 Å²	44.5	34%	0.337	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.7	169.5	-59.3	0	0	0	0	108.6	L85 V111 A112	T83-L85 HydrophobicContact CG2-CD2 4.05Å; T83-L85 PolarHBondContact O-N 3.33Å; T83-V111 WeakPolarHBondContact O-CA 3.33Å; T83-A112 PolarHBondContact N-O 3.21Å; T83-A112 PolarHBondContact O-N 2.89Å
84	F	96.6	Very high	95	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	123.6	167	174.5	-94.7	0	0	0	109	N44 L47 R48 T51 T86 A87 Y109	N44-F84 HydrophobicContact CB-CZ 4.29Å; N44-F84 WeakPolarHBondContact OD1-CE1 2.83Å; N44-F84 VanDerWaalsContact OD1-CZ 3.25Å; N44-F84 WeakPolarHBondContact OD1-CZ 3.34Å; L47-F84 HydrophobicContact CB-CE2 3.8Å; R48-F84 HydrophobicContact CB-CB 4.49Å; R48-F84 HydrophobicContact CB-CD1 4.11Å; R48-F84 HydrophobicContact CB-CD2 4.23Å; R48-F84 HydrophobicContact CB-CE1 4.39Å; R48-F84 HydrophobicContact CB-CG 4Å; R48-F84 HydrophobicContact CG-CB 4.22Å; R48-F84 HydrophobicContact CG-CD1 4.21Å; R48-F84 HydrophobicContact CG-CG 4.17Å; R48-F84 VanDerWaalsContact NH1-CD1 3.35Å; T51-F84 HydrophobicContact CG2-CB 4.15Å; F84-T86 VanDerWaalsContact CZ-C 3.41Å; F84-A87 HydrophobicContact CE2-CB 4.3Å; F84-A87 HydrophobicContact CZ-CB 4.06Å; F84-Y109 HydrophobicContact CD2-CD2 4.49Å; F84-Y109 AromaticContact CD2-CE2 3.89Å; F84-Y109 HydrophobicContact CD2-CE2 3.89Å; F84-Y109 HydrophobicContact CE2-CD2 4.14Å; F84-Y109 AromaticContact CE2-CE2 3.97Å; F84-Y109 HydrophobicContact CE2-CE2 3.97Å
85	L	92.8	Very high	95.2	Very high	35 Å²	35	46.2 Å²	46.2	18%	0.183	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-64.7	177	-59	179.5	0	0	0	110.2	T83 R110 A112 E117 Y148	T83-L85 HydrophobicContact CG2-CD2 4.05Å; T83-L85 PolarHBondContact O-N 3.33Å; L85-R110 HydrophobicContact CB-CB 3.86Å; L85-R110 HydrophobicContact CD1-CB 4.25Å; L85-R110 PolarHBondContact N-O 3.48Å; L85-A112 HydrophobicContact CD1-CB 4.13Å; L85-A112 HydrophobicContact CD2-CB 4.33Å; L85-A112 HydrophobicContact CG-CB 4.28Å; L85-E117 HydrophobicContact CD1-CB 4.04Å; L85-Y148 HydrophobicContact CD2-CE2 4.32Å
86	T	93.1	Very high	95.3	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.104	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	162.5	179.8	-170.1	0	0	0	0	112.5	F84 H88 R110	F84-T86 VanDerWaalsContact CZ-C 3.41Å; T86-H88 VanDerWaalsContact CG2-CD2 3.49Å; T86-H88 WeakPolarHBondContact CG2-CD2 3.47Å; T86-H88 PolarHBondContact OG1-CD2 2.73Å; T86-H88 PolarHBondContact OG1-CE1 3.12Å; T86-H88 PolarHBondContact OG1-NE2 3.46Å; T86-R110 HydrophobicContact CG2-CB 4.1Å; T86-R110 HydrophobicContact CG2-CG 4.18Å; T86-R110 PolarHBondContact N-O 2.88Å; T86-R110 PolarHBondContact O-N 2.85Å
87	A	95.9	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.9	163.9	0	0	0	0	0	109.2	I43 N44 L47 F84 V107 S108	I43-A87 HydrophobicContact CG1-CB 4.27Å; I43-A87 HydrophobicContact CG2-CB 4.13Å; N44-A87 PolarHBondContact ND2-O 2.78Å; N44-A87 PolarHBondContact OD1-N 3.02Å; L47-A87 HydrophobicContact CB-CB 4.33Å; L47-A87 HydrophobicContact CD1-CB 3.7Å; L47-A87 HydrophobicContact CG-CB 4.44Å; F84-A87 HydrophobicContact CE2-CB 4.3Å; F84-A87 HydrophobicContact CZ-CB 4.06Å; A87-V107 HydrophobicContact CB-CG1 4.07Å; A87-S108 CarbonylContact C-O 3.59Å; A87-S108 VanDerWaalsContact CA-O 3.28Å; A87-S108 WeakPolarHBondContact CA-O 3.25Å
88	H	94.5	Very high	95.1	Very high	47 Å²	47	55.4 Å²	55.4	22%	0.218	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.9	177	-67.7	-68.2	0	0	0	111.8	E40 T86 L90 V107 S108 Y277	E40-H88 WeakPolarHBondContact OE2-CA 3.41Å; E40-H88 IonicContact OE2-ND1 3.75Å; T86-H88 VanDerWaalsContact CG2-CD2 3.49Å; T86-H88 WeakPolarHBondContact CG2-CD2 3.47Å; T86-H88 PolarHBondContact OG1-CD2 2.73Å; T86-H88 PolarHBondContact OG1-CE1 3.12Å; T86-H88 PolarHBondContact OG1-NE2 3.46Å; H88-L90 PolarHBondContact O-N 3.22Å; H88-V107 CarbonylContact O-C 3.51Å; H88-V107 VanDerWaalsContact O-CA 3.25Å; H88-V107 WeakPolarHBondContact O-CA 3.32Å; H88-S108 PolarHBondContact N-O 2.95Å; H88-S108 PolarHBondContact O-N 3.22Å; H88-Y277 HydrophobicContact CB-CD2 3.85Å; H88-Y277 HydrophobicContact CB-CG 4.15Å
89	F	95.4	Very high	94.8	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.013	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.2	170.8	-76.9	-83.9	0	0	0	110.5	P35 D39 E40 I43 M92 L106 V107 V124 W134	P35-F89 HydrophobicContact CB-CB 3.83Å; P35-F89 HydrophobicContact CB-CD2 4.23Å; P35-F89 HydrophobicContact CB-CG 4.23Å; P35-F89 HydrophobicContact CG-CB 3.35Å; P35-F89 HydrophobicContact CG-CG 4.09Å; D39-F89 HydrophobicContact CB-CD2 4.44Å; D39-F89 HydrophobicContact CB-CE2 4.1Å; D39-F89 WeakPolarHBondContact O-CE2 3.43Å; E40-F89 WeakPolarHBondContact OE1-CB 3.42Å; E40-F89 PolarHBondContact OE1-N 3.16Å; E40-F89 VanDerWaalsContact OE1-N 3.08Å; E40-F89 PolarHBondContact OE2-N 2.64Å; I43-F89 HydrophobicContact CB-CD2 4.48Å; I43-F89 HydrophobicContact CB-CE2 3.64Å; I43-F89 HydrophobicContact CB-CZ 4.02Å; I43-F89 HydrophobicContact CG1-CE2 4.23Å; I43-F89 HydrophobicContact CG1-CZ 4.24Å; I43-F89 HydrophobicContact CG2-CD2 3.84Å; I43-F89 HydrophobicContact CG2-CE2 3.45Å; I43-F89 VanDerWaalsContact CG2-CE2 3.45Å; I43-F89 HydrophobicContact CG2-CZ 4.27Å; F89-M92 HydrophobicContact CD1-CB 4.48Å; F89-M92 HydrophobicContact CD1-CE 3.84Å; F89-M92 HydrophobicContact CD2-CE 3.93Å; F89-M92 HydrophobicContact CE1-CE 3.58Å; F89-M92 HydrophobicContact CE2-CE 3.66Å; F89-M92 HydrophobicContact CG-CE 4.02Å; F89-M92 HydrophobicContact CZ-CE 3.49Å; F89-M92 VanDerWaalsContact CZ-CE 3.49Å; F89-L106 CarbonylContact C-O 3.59Å; F89-L106 WeakPolarHBondContact CA-O 3.26Å; F89-V107 HydrophobicContact CD1-CG2 3.45Å; F89-V107 VanDerWaalsContact CD1-CG2 3.45Å; F89-V107 HydrophobicContact CD2-CG2 4.46Å; F89-V107 HydrophobicContact CE1-CG2 3.45Å; F89-V107 VanDerWaalsContact CE1-CG2 3.45Å; F89-V107 HydrophobicContact CE2-CG2 4.46Å; F89-V107 HydrophobicContact CG-CG2 3.98Å; F89-V107 HydrophobicContact CZ-CG2 3.98Å; F89-V124 HydrophobicContact CE1-CG2 3.72Å; F89-V124 HydrophobicContact CZ-CG2 4.3Å; F89-W134 AromaticContact CE1-CH2 3.95Å; F89-W134 HydrophobicContact CE1-CH2 3.95Å; F89-W134 HydrophobicContact CE1-CZ2 4.38Å; F89-W134 HydrophobicContact CE1-CZ3 4.03Å; F89-W134 HydrophobicContact CE2-CZ2 4.37Å; F89-W134 HydrophobicContact CZ-CD2 4.17Å; F89-W134 AromaticContact CZ-CE2 3.88Å; F89-W134 HydrophobicContact CZ-CE3 4.19Å; F89-W134 AromaticContact CZ-CH2 3.66Å; F89-W134 HydrophobicContact CZ-CH2 3.66Å; F89-W134 AromaticContact CZ-CZ2 3.62Å; F89-W134 HydrophobicContact CZ-CZ2 3.62Å; F89-W134 AromaticContact CZ-CZ3 3.95Å; F89-W134 HydrophobicContact CZ-CZ3 3.95Å
90	L	93.8	Very high	94.6	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.346	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-28.5	168.4	-56.3	-172.4	0	0	0	111.4	H88 L106 L121 Y277 R278	H88-L90 PolarHBondContact O-N 3.22Å; L90-L106 HydrophobicContact CB-CB 4.47Å; L90-L106 PolarHBondContact N-O 2.86Å; L90-L121 HydrophobicContact CD1-CD1 3.55Å; L90-L121 HydrophobicContact CG-CD1 4.43Å; L90-Y277 HydrophobicContact CD2-CD2 3.75Å; L90-Y277 HydrophobicContact CD2-CE2 3.69Å; L90-R278 HydrophobicContact CD2-CG 4.49Å
91	S	95.2	Very high	94.5	Very high	32 Å²	32	50.7 Å²	50.7	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	148.5	171.6	60.4	0	0	0	0	110.3	G105 L106	S91-G105 CarbonylContact O-C 3.52Å; S91-G105 WeakPolarHBondContact O-CA 3.37Å; S91-L106 PolarHBondContact N-O 2.89Å; S91-L106 PolarHBondContact O-N 3.25Å
92	M	97.5	Very high	94.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.2	170.4	-178	176.4	-69.4	0	0	109.6	L33 P35 D39 F89 R104 W134	L33-M92 WeakPolarHBondContact CA-O 3.28Å; L33-M92 HydrophobicContact CB-CB 4.31Å; L33-M92 HydrophobicContact CB-CG 4.23Å; L33-M92 HydrophobicContact CD1-CG 4.26Å; L33-M92 HydrophobicContact CD1-SD 4.39Å; L33-M92 PolarHBondContact N-O 3.2Å; L33-M92 VanDerWaalsContact O-O 3.06Å; P35-M92 HydrophobicContact CB-CE 4.4Å; P35-M92 HydrophobicContact CG-CB 3.97Å; D39-M92 HydrophobicContact CB-CE 3.61Å; F89-M92 HydrophobicContact CD1-CB 4.48Å; F89-M92 HydrophobicContact CD1-CE 3.84Å; F89-M92 HydrophobicContact CD2-CE 3.93Å; F89-M92 HydrophobicContact CE1-CE 3.58Å; F89-M92 HydrophobicContact CE2-CE 3.66Å; F89-M92 HydrophobicContact CG-CE 4.02Å; F89-M92 HydrophobicContact CZ-CE 3.49Å; F89-M92 VanDerWaalsContact CZ-CE 3.49Å; M92-R104 WeakPolarHBondContact CA-O 3.36Å; M92-W134 HydrophobicContact CE-CH2 3.63Å; M92-W134 HydrophobicContact CE-CZ2 3.79Å; M92-W134 HydrophobicContact SD-CH2 4.48Å
93	Y	97.6	Very high	94.4	Very high	26 Å²	26	44.9 Å²	44.9	10%	0.102	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160	-178.6	52.2	-87.2	0	0	0	112.8	V29 K31 V95 R104 K123	V29-Y93 HydrophobicContact CB-CD2 4.39Å; V29-Y93 HydrophobicContact CG1-CD2 4.22Å; V29-Y93 HydrophobicContact CG1-CG 4.27Å; V29-Y93 HydrophobicContact CG2-CD2 3.65Å; V29-Y93 HydrophobicContact CG2-CE2 3.91Å; V29-Y93 HydrophobicContact CG2-CG 4.19Å; K31-Y93 CarbonylContact O-C 3.6Å; K31-Y93 VanDerWaalsContact O-CA 3.26Å; K31-Y93 WeakPolarHBondContact O-CA 3.19Å; K31-Y93 WeakPolarHBondContact O-CB 3.17Å; Y93-V95 HydrophobicContact CD2-CG1 4.13Å; Y93-V95 HydrophobicContact CE2-CG1 4.13Å; Y93-R104 HydrophobicContact CD2-CB 3.7Å; Y93-R104 HydrophobicContact CD2-CG 4.29Å; Y93-R104 HydrophobicContact CE1-CB 4.15Å; Y93-R104 HydrophobicContact CE2-CB 3.25Å; Y93-R104 HydrophobicContact CE2-CG 3.8Å; Y93-R104 HydrophobicContact CG-CB 4.32Å; Y93-R104 VanDerWaalsContact CZ-CB 3.49Å; Y93-R104 PolarHBondContact N-O 2.8Å; Y93-R104 PolarHBondContact O-N 3.08Å; Y93-K123 WeakPolarHBondContact OH-CE 3.47Å
94	K	97.5	Very high	94.4	Very high	74 Å²	74	42.5 Å²	42.5	32%	0.322	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148.4	169.8	-73.2	-177.8	171.1	-177.8	0	111.6	V29 T30 K31 L33 N102 L103	V29-K94 CarbonylContact C-O 3.53Å; V29-K94 WeakPolarHBondContact CA-O 3.36Å; T30-K94 PolarHBondContact N-O 3.32Å; T30-K94 WeakPolarHBondContact OG1-CB 3.45Å; T30-K94 PolarHBondContact OG1-O 3.03Å; K31-K94 HydrophobicContact CB-CB 4.23Å; K31-K94 PolarHBondContact O-N 2.98Å; L33-K94 HydrophobicContact CD1-CG 4.01Å; K94-N102 CarbonylContact C-O 3.43Å; K94-N102 WeakPolarHBondContact CA-O 3.14Å; K94-L103 HydrophobicContact CG-CD2 3.83Å
95	V	95.6	Very high	94.4	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	175	164.5	-60.3	0	0	0	0	109.3	E27 Y93 G97 N102 R104	E27-V95 HydrophobicContact CB-CB 4.09Å; E27-V95 HydrophobicContact CB-CG1 3.72Å; E27-V95 HydrophobicContact CG-CG1 4.5Å; Y93-V95 HydrophobicContact CD2-CG1 4.13Å; Y93-V95 HydrophobicContact CE2-CG1 4.13Å; V95-G97 PolarHBondContact O-N 2.88Å; V95-N102 WeakPolarHBondContact CG2-O 3.37Å; V95-N102 PolarHBondContact N-O 2.85Å; V95-N102 WeakPolarHBondContact O-CB 3.45Å; V95-R104 HydrophobicContact CG1-CG 3.7Å; V95-R104 HydrophobicContact CG2-CG 4.18Å
96	K	94.1	Very high	94.6	Very high	198 Å²	198	42.1 Å²	42.1	86%	0.861	23%	0.232	S	C	*	.	S	Bend	trans	-61.4	124.1	173.9	-174.5	178.3	-178.9	175.4	0	110.1
97	G	91.6	Very high	94.7	Very high	48 Å²	48	41.3 Å²	41.3	50%	0.495	23%	0.227	S	C	.	.	S	Bend	trans	166.6	-166.6	-178	0	0	0	0	0	111.9	V95 N101	V95-G97 PolarHBondContact O-N 2.88Å; G97-N101 VanDerWaalsContact CA-OD1 3.28Å; G97-N101 WeakPolarHBondContact CA-OD1 3.28Å
98	N	91.3	Very high	94.7	Very high	87 Å²	87	41.9 Å²	41.9	47%	0.465	23%	0.231	S	C	.	.			trans	-111.2	-179.3	173.8	62.9	24	0	0	0	110.4	S100 N101 N102	N98-S100 PolarHBondContact O-N 3.33Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 2.98Å; N98-N101 PolarHBondContact N-OD1 2.97Å; N98-N101 PolarHBondContact O-N 2.91Å; N98-N101 VanDerWaalsContact O-N 3.13Å; N98-N101 PolarHBondContact O-OD1 3.17Å; N98-N101 PolarHBondContact OD1-N 2.85Å; N98-N101 PolarHBondContact OD1-OD1 2.93Å; N98-N102 WeakPolarHBondContact O-CB 3.02Å; N98-N102 PolarHBondContact O-N 3.2Å; N98-N102 PolarHBondContact O-ND2 2.9Å; N98-N102 PolarHBondContact O-OD1 3.1Å
99	S	88.7	Confident	94.8	Very high	95 Å²	95	39.6 Å²	39.6	66%	0.664	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.7	179.8	46.1	0	0	0	0	114.2
100	S	90.6	Very high	94.7	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-7.7	-176.3	-42	0	0	0	0	114.1	N98 L127 G128 L132	N98-S100 PolarHBondContact O-N 3.33Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 2.98Å; S100-L127 CarbonylContact O-C 3.51Å; S100-L127 WeakPolarHBondContact O-CA 3.47Å; S100-G128 WeakPolarHBondContact CB-O 3.03Å; S100-G128 PolarHBondContact O-N 3.1Å; S100-L132 WeakPolarHBondContact O-CD2 3.42Å
101	N	92.5	Very high	94.8	Very high	61 Å²	61	36.5 Å²	36.5	33%	0.326	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-150.9	5.7	-176.5	66.4	16	0	0	0	116.7	G97 N98 R104 L127	G97-N101 VanDerWaalsContact CA-OD1 3.28Å; G97-N101 WeakPolarHBondContact CA-OD1 3.28Å; N98-N101 PolarHBondContact N-OD1 2.97Å; N98-N101 PolarHBondContact O-N 2.91Å; N98-N101 VanDerWaalsContact O-N 3.13Å; N98-N101 PolarHBondContact O-OD1 3.17Å; N98-N101 PolarHBondContact OD1-N 2.85Å; N98-N101 PolarHBondContact OD1-OD1 2.93Å; N101-R104 PolarHBondContact O-NH1 2.71Å; N101-R104 PolarHBondContact O-NH2 3.29Å; N101-L127 HydrophobicContact CB-CD2 3.77Å
102	N	94.9	Very high	94.7	Very high	18 Å²	18	35 Å²	35	10%	0.096	19%	0.193	C	C	.	.			trans	-92	-7.9	-172.3	68.8	4.6	0	0	0	115.6	K94 V95 N98	K94-N102 CarbonylContact C-O 3.43Å; K94-N102 WeakPolarHBondContact CA-O 3.14Å; V95-N102 WeakPolarHBondContact CG2-O 3.37Å; V95-N102 PolarHBondContact N-O 2.85Å; V95-N102 WeakPolarHBondContact O-CB 3.45Å; N98-N102 WeakPolarHBondContact O-CB 3.02Å; N98-N102 PolarHBondContact O-N 3.2Å; N98-N102 PolarHBondContact O-ND2 2.9Å; N98-N102 PolarHBondContact O-OD1 3.1Å
103	L	97	Very high	94.6	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134	-176.6	-65.7	177	0	0	0	112.8	L33 K94 A125 R126 W134	L33-L103 HydrophobicContact CD1-CD2 3.6Å; K94-L103 HydrophobicContact CG-CD2 3.83Å; L103-A125 WeakPolarHBondContact O-CA 3.37Å; L103-R126 HydrophobicContact CB-CB 3.94Å; L103-R126 PolarHBondContact O-N 2.86Å; L103-W134 HydrophobicContact CB-CH2 4.01Å; L103-W134 HydrophobicContact CB-CZ3 4.46Å
104	R	97	Very high	94.3	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	159.8	174.6	-59.2	-64.4	173.4	-87.4	-4.3	109.4	E27 M92 Y93 V95 N101 V124	E27-R104 IonicContact OE1-CZ 3.42Å; E27-R104 IonicContact OE1-NE 3.11Å; E27-R104 PolarHBondContact OE1-NE 2.88Å; E27-R104 IonicContact OE1-NH2 3.43Å; E27-R104 PolarHBondContact OE1-NH2 3.41Å; E27-R104 IonicContact OE2-CZ 2.7Å; E27-R104 IonicContact OE2-NE 2.66Å; E27-R104 PolarHBondContact OE2-NE 3.15Å; E27-R104 IonicContact OE2-NH2 3.41Å; M92-R104 WeakPolarHBondContact CA-O 3.36Å; Y93-R104 HydrophobicContact CD2-CB 3.7Å; Y93-R104 HydrophobicContact CD2-CG 4.29Å; Y93-R104 HydrophobicContact CE1-CB 4.15Å; Y93-R104 HydrophobicContact CE2-CB 3.25Å; Y93-R104 HydrophobicContact CE2-CG 3.8Å; Y93-R104 HydrophobicContact CG-CB 4.32Å; Y93-R104 VanDerWaalsContact CZ-CB 3.49Å; Y93-R104 PolarHBondContact N-O 2.8Å; Y93-R104 PolarHBondContact O-N 3.08Å; V95-R104 HydrophobicContact CG1-CG 3.7Å; V95-R104 HydrophobicContact CG2-CG 4.18Å; N101-R104 PolarHBondContact O-NH1 2.71Å; N101-R104 PolarHBondContact O-NH2 3.29Å; R104-V124 VanDerWaalsContact CA-O 3.3Å; R104-V124 WeakPolarHBondContact CA-O 3.28Å
105	G	96.6	Very high	94	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	164.6	172.7	0	0	0	0	0	113.6	S91 K123 V124	S91-G105 CarbonylContact O-C 3.52Å; S91-G105 WeakPolarHBondContact O-CA 3.37Å; G105-K123 WeakPolarHBondContact O-CA 3.25Å; G105-V124 PolarHBondContact N-O 3.27Å; G105-V124 PolarHBondContact O-N 3.43Å
106	L	95.9	Very high	93.8	Very high	49 Å²	49	44.8 Å²	44.8	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.3	162	-68.1	177.3	0	0	0	107.8	F89 L90 S91 L121 I122 K123 V140	F89-L106 CarbonylContact C-O 3.59Å; F89-L106 WeakPolarHBondContact CA-O 3.26Å; L90-L106 HydrophobicContact CB-CB 4.47Å; L90-L106 PolarHBondContact N-O 2.86Å; S91-L106 PolarHBondContact N-O 2.89Å; S91-L106 PolarHBondContact O-N 3.25Å; L106-L121 HydrophobicContact CB-CD1 4.12Å; L106-I122 WeakPolarHBondContact CA-O 3.41Å; L106-K123 HydrophobicContact CD2-CB 4.13Å; L106-K123 HydrophobicContact CD2-CG 4.31Å; L106-V140 HydrophobicContact CD2-CG2 3.89Å
107	V	96.3	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.1	-177.3	174.1	0	0	0	0	108.9	I43 L47 A87 H88 F89 I122 V124	I43-V107 HydrophobicContact CD1-CG2 4.36Å; I43-V107 HydrophobicContact CG1-CG1 3.97Å; I43-V107 HydrophobicContact CG1-CG2 3.98Å; L47-V107 HydrophobicContact CD1-CG1 3.98Å; A87-V107 HydrophobicContact CB-CG1 4.07Å; H88-V107 CarbonylContact O-C 3.51Å; H88-V107 VanDerWaalsContact O-CA 3.25Å; H88-V107 WeakPolarHBondContact O-CA 3.32Å; F89-V107 HydrophobicContact CD1-CG2 3.45Å; F89-V107 VanDerWaalsContact CD1-CG2 3.45Å; F89-V107 HydrophobicContact CD2-CG2 4.46Å; F89-V107 HydrophobicContact CE1-CG2 3.45Å; F89-V107 VanDerWaalsContact CE1-CG2 3.45Å; F89-V107 HydrophobicContact CE2-CG2 4.46Å; F89-V107 HydrophobicContact CG-CG2 3.98Å; F89-V107 HydrophobicContact CZ-CG2 3.98Å; V107-I122 HydrophobicContact CB-CD1 4.35Å; V107-I122 HydrophobicContact CB-CG1 3.81Å; V107-I122 HydrophobicContact CG1-CD1 4.44Å; V107-I122 HydrophobicContact CG1-CG1 4.31Å; V107-I122 PolarHBondContact N-O 3.1Å; V107-I122 WeakPolarHBondContact O-CG1 3.42Å; V107-I122 PolarHBondContact O-N 2.74Å; V107-V124 HydrophobicContact CG2-CG1 4.2Å; V107-V124 HydrophobicContact CG2-CG2 3.68Å
108	S	95.2	Very high	93.7	Very high	11 Å²	11	35 Å²	35	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.6	164.2	-179.3	0	0	0	0	108.2	A87 H88	A87-S108 CarbonylContact C-O 3.59Å; A87-S108 VanDerWaalsContact CA-O 3.28Å; A87-S108 WeakPolarHBondContact CA-O 3.25Å; H88-S108 PolarHBondContact N-O 2.95Å; H88-S108 PolarHBondContact O-N 3.22Å
109	Y	95.7	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.1	-179.2	166.3	-127.2	0	0	0	109.8	L47 F50 T51 F74 F84 V111 Y120	L47-Y109 HydrophobicContact CB-CD2 3.93Å; L47-Y109 HydrophobicContact CB-CE2 4.01Å; L47-Y109 HydrophobicContact CD1-CD2 3.8Å; L47-Y109 HydrophobicContact CD1-CG 3.95Å; L47-Y109 HydrophobicContact CG-CD2 4.4Å; F50-Y109 HydrophobicContact CD1-CE1 4.29Å; F50-Y109 HydrophobicContact CE1-CE1 4.3Å; T51-Y109 WeakPolarHBondContact OG1-CE2 3.39Å; T51-Y109 PolarHBondContact OG1-OH 2.86Å; F74-Y109 HydrophobicContact CE1-CD1 4.08Å; F74-Y109 AromaticContact CE1-CE1 3.98Å; F74-Y109 HydrophobicContact CE1-CE1 3.98Å; F84-Y109 HydrophobicContact CD2-CD2 4.49Å; F84-Y109 AromaticContact CD2-CE2 3.89Å; F84-Y109 HydrophobicContact CD2-CE2 3.89Å; F84-Y109 HydrophobicContact CE2-CD2 4.14Å; F84-Y109 AromaticContact CE2-CE2 3.97Å; F84-Y109 HydrophobicContact CE2-CE2 3.97Å; Y109-V111 HydrophobicContact CE1-CB 4.41Å; Y109-V111 HydrophobicContact CE1-CG1 3.98Å; Y109-V111 HydrophobicContact CE2-CB 4.22Å; Y109-Y120 HydrophobicContact CD1-CD2 4.01Å; Y109-Y120 HydrophobicContact CD1-CG 4.24Å; Y109-Y120 HydrophobicContact CE1-CD2 4.33Å; Y109-Y120 PolarHBondContact N-O 3.26Å; Y109-Y120 PolarHBondContact O-N 3.35Å
110	R	94.5	Very high	94.1	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.011	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.7	-176.5	-62.9	-172.6	64.4	-155	5.4	111.7	L85 T86 E117 Y118 T119 L281	L85-R110 HydrophobicContact CB-CB 3.86Å; L85-R110 HydrophobicContact CD1-CB 4.25Å; L85-R110 PolarHBondContact N-O 3.48Å; T86-R110 HydrophobicContact CG2-CB 4.1Å; T86-R110 HydrophobicContact CG2-CG 4.18Å; T86-R110 PolarHBondContact N-O 2.88Å; T86-R110 PolarHBondContact O-N 2.85Å; R110-E117 IonicContact CZ-OE1 2.74Å; R110-E117 IonicContact NH2-OE1 3.84Å; R110-E117 PolarHBondContact NH2-OE1 3.35Å; R110-E117 IonicContact NH2-OE2 3.3Å; R110-Y118 WeakPolarHBondContact CA-O 3.2Å; R110-T119 HydrophobicContact CG-CG2 4.19Å; R110-T119 WeakPolarHBondContact CG-OG1 3.46Å; R110-L281 PolarHBondContact NH2-O 2.74Å
111	V	95.6	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.2	-177.6	57.3	0	0	0	0	110.1	T51 L77 L82 T83 Y109 Y118 Y120	T51-V111 HydrophobicContact CG2-CG2 3.63Å; L77-V111 HydrophobicContact CD1-CG1 3.55Å; L82-V111 HydrophobicContact CB-CG2 4.14Å; L82-V111 HydrophobicContact CD1-CG2 4.35Å; L82-V111 HydrophobicContact CD2-CG2 4.14Å; L82-V111 HydrophobicContact CG-CG2 4.46Å; T83-V111 WeakPolarHBondContact O-CA 3.33Å; Y109-V111 HydrophobicContact CE1-CB 4.41Å; Y109-V111 HydrophobicContact CE1-CG1 3.98Å; Y109-V111 HydrophobicContact CE2-CB 4.22Å; V111-Y118 PolarHBondContact N-O 2.8Å; V111-Y118 PolarHBondContact O-N 3.34Å; V111-Y120 HydrophobicContact CG1-CD2 4.25Å; V111-Y120 HydrophobicContact CG1-CE2 3.87Å
112	A	94.3	Very high	94.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.8	179.5	0	0	0	0	0	112.7	L82 T83 L85 K116 E117 Y148	L82-A112 CarbonylContact C-O 3.5Å; L82-A112 VanDerWaalsContact CA-O 3.25Å; L82-A112 WeakPolarHBondContact CA-O 3.36Å; T83-A112 PolarHBondContact N-O 3.21Å; T83-A112 PolarHBondContact O-N 2.89Å; L85-A112 HydrophobicContact CD1-CB 4.13Å; L85-A112 HydrophobicContact CD2-CB 4.33Å; L85-A112 HydrophobicContact CG-CB 4.28Å; A112-K116 CarbonylContact C-O 3.58Å; A112-K116 WeakPolarHBondContact CA-O 3.38Å; A112-E117 HydrophobicContact CB-CB 3.89Å; A112-Y148 HydrophobicContact CB-CD1 3.69Å; A112-Y148 HydrophobicContact CB-CD2 4.01Å; A112-Y148 HydrophobicContact CB-CE1 3.8Å; A112-Y148 HydrophobicContact CB-CE2 4.11Å; A112-Y148 HydrophobicContact CB-CG 3.78Å
113	T	94.5	Very high	94.4	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.055	12%	0.123	C	C	.	.			trans	-91.6	173.4	158.9	78.5	0	0	0	0	108.4	L77 Q80 L82 K115 K116 Y118 Y148	L77-T113 HydrophobicContact CD2-CG2 4.22Å; Q80-T113 HydrophobicContact CG-CG2 4.47Å; L82-T113 HydrophobicContact CD2-CG2 3.95Å; T113-K115 PolarHBondContact O-N 2.84Å; T113-K115 PolarHBondContact OG1-N 3.21Å; T113-K116 PolarHBondContact N-O 2.84Å; T113-K116 PolarHBondContact OG1-N 2.85Å; T113-K116 PolarHBondContact OG1-O 2.98Å; T113-Y118 HydrophobicContact CG2-CD2 4.47Å; T113-Y118 HydrophobicContact CG2-CE2 3.85Å; T113-Y148 VanDerWaalsContact O-CD1 3.24Å; T113-Y148 WeakPolarHBondContact O-CD1 3.17Å
114	P	92	Very high	94.4	Very high	64 Å²	64	24.4 Å²	24.4	42%	0.416	12%	0.118	S	C	.	.	S	Bend	trans	-60.9	-10.6	175.9	-27.1	37	0	0	0	115.4	E81 Y148	E81-P114 HydrophobicContact CB-CG 3.81Å; E81-P114 HydrophobicContact CG-CG 4.08Å; E81-P114 WeakPolarHBondContact O-CD 3.36Å; E81-P114 WeakPolarHBondContact OE2-CG 3.16Å; P114-Y148 CarbonylContact C-O 3.51Å
115	K	90.3	Very high	94.3	Very high	168 Å²	168	24.1 Å²	24.1	73%	0.73	12%	0.117	S	C	*	.	S	Bend	trans	-122	-28.3	-176.6	-65.2	-173.6	179.7	-177.9	0	114.2	T113 Y148	T113-K115 PolarHBondContact O-N 2.84Å; T113-K115 PolarHBondContact OG1-N 3.21Å; K115-Y148 CarbonylContact C-O 3.56Å; K115-Y148 WeakPolarHBondContact CA-O 3.38Å; K115-Y148 PolarHBondContact N-O 3.12Å; K115-Y148 PolarHBondContact O-N 2.85Å
116	K	91.4	Very high	94.3	Very high	71 Å²	71	26.3 Å²	26.3	31%	0.309	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	141	-173.1	-73.3	-170.5	165.6	-141.5	0	111.7	A112 T113 Y118 H144 G145 I146 Y148	A112-K116 CarbonylContact C-O 3.58Å; A112-K116 WeakPolarHBondContact CA-O 3.38Å; T113-K116 PolarHBondContact N-O 2.84Å; T113-K116 PolarHBondContact OG1-N 2.85Å; T113-K116 PolarHBondContact OG1-O 2.98Å; K116-Y118 HydrophobicContact CB-CD2 4.48Å; K116-Y118 HydrophobicContact CB-CE2 3.73Å; K116-Y118 WeakPolarHBondContact CD-OH 3.41Å; K116-H144 PolarHBondContact NZ-O 2.89Å; K116-G145 PolarHBondContact NZ-O 3.16Å; K116-I146 CarbonylContact C-O 3.49Å; K116-I146 WeakPolarHBondContact CA-O 3.47Å; K116-Y148 VanDerWaalsContact C-CB 3.49Å
117	E	91.3	Very high	94.3	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.4	163.7	62.2	173.5	-113.2	0	0	110.2	L85 R110 A112 G145 I146 Y148 P282 H283	L85-E117 HydrophobicContact CD1-CB 4.04Å; R110-E117 IonicContact CZ-OE1 2.74Å; R110-E117 IonicContact NH2-OE1 3.84Å; R110-E117 PolarHBondContact NH2-OE1 3.35Å; R110-E117 IonicContact NH2-OE2 3.3Å; A112-E117 HydrophobicContact CB-CB 3.89Å; E117-G145 CarbonylContact O-C 3.56Å; E117-G145 WeakPolarHBondContact O-CA 3.28Å; E117-I146 HydrophobicContact CG-CD1 3.81Å; E117-I146 HydrophobicContact CG-CG1 3.32Å; E117-I146 PolarHBondContact N-O 3.36Å; E117-I146 PolarHBondContact O-N 3.49Å; E117-I146 VanDerWaalsContact OE1-CD1 3.3Å; E117-I146 WeakPolarHBondContact OE1-CD1 3.46Å; E117-Y148 HydrophobicContact CB-CD2 4.13Å; E117-Y148 HydrophobicContact CB-CG 4.3Å; E117-Y148 HydrophobicContact CG-CD2 4.45Å; E117-Y148 WeakPolarHBondContact OE2-CD2 3.4Å; E117-P282 VanDerWaalsContact OE1-CA 3.25Å; E117-P282 WeakPolarHBondContact OE1-CA 3.39Å; E117-H283 VanDerWaalsContact CD-N 3.34Å; E117-H283 PolarHBondContact OE1-N 3.28Å; E117-H283 WeakPolarHBondContact OE2-CB 3.17Å; E117-H283 PolarHBondContact OE2-N 3.42Å
118	Y	92.9	Very high	94	Very high	39 Å²	39	26.9 Å²	26.9	15%	0.153	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.7	-177.1	-61.8	-89.6	0	0	0	109.7	L77 R110 V111 T113 K116 Y120 D143 G145	L77-Y118 HydrophobicContact CD2-CD2 3.92Å; L77-Y118 HydrophobicContact CD2-CE2 4.02Å; R110-Y118 WeakPolarHBondContact CA-O 3.2Å; V111-Y118 PolarHBondContact N-O 2.8Å; V111-Y118 PolarHBondContact O-N 3.34Å; T113-Y118 HydrophobicContact CG2-CD2 4.47Å; T113-Y118 HydrophobicContact CG2-CE2 3.85Å; K116-Y118 HydrophobicContact CB-CD2 4.48Å; K116-Y118 HydrophobicContact CB-CE2 3.73Å; K116-Y118 WeakPolarHBondContact CD-OH 3.41Å; Y118-Y120 HydrophobicContact CG-CE2 4.37Å; Y118-D143 WeakPolarHBondContact CA-OD1 3.49Å; Y118-G145 VanDerWaalsContact CE1-CA 3.45Å
119	T	92.7	Very high	93.3	Very high	16 Å²	16	33 Å²	33	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.8	169.4	-62.4	0	0	0	0	109.8	R110 D143 N280	R110-T119 HydrophobicContact CG-CG2 4.19Å; R110-T119 WeakPolarHBondContact CG-OG1 3.46Å; T119-D143 WeakPolarHBondContact CB-OD2 3.44Å; T119-D143 PolarHBondContact N-OD1 3.39Å; T119-D143 PolarHBondContact N-OD2 2.92Å; T119-D143 PolarHBondContact O-N 2.93Å; T119-N280 VanDerWaalsContact CB-OD1 3.25Å; T119-N280 WeakPolarHBondContact CB-OD1 3.41Å; T119-N280 PolarHBondContact OG1-OD1 3.47Å
120	Y	94.5	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	174.4	-64.5	-103.7	0	0	0	109.3	P73 F74 L77 Y109 V111 Y118 V139 Q142	P73-Y120 HydrophobicContact CB-CE1 4.48Å; F74-Y120 AromaticContact CD1-CD1 3.96Å; F74-Y120 HydrophobicContact CD1-CD1 3.96Å; F74-Y120 AromaticContact CD1-CE1 3.58Å; F74-Y120 HydrophobicContact CD1-CE1 3.58Å; F74-Y120 HydrophobicContact CD1-CE2 4.42Å; F74-Y120 AromaticContact CD1-CZ 3.88Å; F74-Y120 AromaticContact CE1-CD1 3.39Å; F74-Y120 HydrophobicContact CE1-CD1 3.39Å; F74-Y120 HydrophobicContact CE1-CD2 4.2Å; F74-Y120 AromaticContact CE1-CE1 3.54Å; F74-Y120 HydrophobicContact CE1-CE1 3.54Å; F74-Y120 HydrophobicContact CE1-CE2 4.36Å; F74-Y120 AromaticContact CE1-CG 3.75Å; F74-Y120 HydrophobicContact CE1-CG 3.75Å; F74-Y120 HydrophobicContact CZ-CD1 4.15Å; L77-Y120 HydrophobicContact CD1-CE2 3.81Å; L77-Y120 WeakPolarHBondContact CD1-OH 3.11Å; Y109-Y120 HydrophobicContact CD1-CD2 4.01Å; Y109-Y120 HydrophobicContact CD1-CG 4.24Å; Y109-Y120 HydrophobicContact CE1-CD2 4.33Å; Y109-Y120 PolarHBondContact N-O 3.26Å; Y109-Y120 PolarHBondContact O-N 3.35Å; V111-Y120 HydrophobicContact CG1-CD2 4.25Å; V111-Y120 HydrophobicContact CG1-CE2 3.87Å; Y118-Y120 HydrophobicContact CG-CE2 4.37Å; Y120-V139 HydrophobicContact CD1-CG1 4.09Å; Y120-V139 HydrophobicContact CD1-CG2 4.4Å; Y120-Q142 HydrophobicContact CD1-CB 3.96Å; Y120-Q142 HydrophobicContact CD1-CG 3.6Å; Y120-Q142 HydrophobicContact CE1-CB 4.18Å; Y120-Q142 HydrophobicContact CE1-CG 3.42Å; Y120-Q142 VanDerWaalsContact CE1-CG 3.42Å; Y120-Q142 HydrophobicContact CE2-CG 4.43Å; Y120-Q142 HydrophobicContact CG-CG 4.21Å; Y120-Q142 PolarHBondContact OH-NE2 3.32Å; Y120-Q142 VanDerWaalsContact OH-NE2 3.11Å
121	L	95	Very high	92.3	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.6	164.1	-177.6	61	0	0	0	108.2	L90 L106 V140 E141	L90-L121 HydrophobicContact CD1-CD1 3.55Å; L90-L121 HydrophobicContact CG-CD1 4.43Å; L106-L121 HydrophobicContact CB-CD1 4.12Å; L121-V140 HydrophobicContact CB-CB 4.31Å; L121-V140 HydrophobicContact CD2-CB 4.04Å; L121-V140 HydrophobicContact CD2-CG1 3.93Å; L121-V140 HydrophobicContact CG-CB 3.96Å; L121-V140 HydrophobicContact CG-CG1 4.41Å; L121-V140 HydrophobicContact CG-CG2 4.45Å; L121-V140 WeakPolarHBondContact O-CA 3.28Å; L121-V140 WeakPolarHBondContact O-CB 3.49Å; L121-V140 PolarHBondContact O-N 3.2Å; L121-E141 HydrophobicContact CB-CB 4.08Å; L121-E141 PolarHBondContact N-O 2.93Å; L121-E141 PolarHBondContact O-N 3.35Å
122	I	95.3	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.7	-176.7	64	175.3	0	0	0	111.5	L47 F74 L106 V107 V124 I136 V139	L47-I122 HydrophobicContact CD1-CD1 3.7Å; L47-I122 HydrophobicContact CD2-CD1 4.12Å; F74-I122 HydrophobicContact CZ-CG2 4.09Å; L106-I122 WeakPolarHBondContact CA-O 3.41Å; V107-I122 HydrophobicContact CB-CD1 4.35Å; V107-I122 HydrophobicContact CB-CG1 3.81Å; V107-I122 HydrophobicContact CG1-CD1 4.44Å; V107-I122 HydrophobicContact CG1-CG1 4.31Å; V107-I122 PolarHBondContact N-O 3.1Å; V107-I122 WeakPolarHBondContact O-CG1 3.42Å; V107-I122 PolarHBondContact O-N 2.74Å; I122-V124 HydrophobicContact CD1-CG1 3.87Å; I122-V124 HydrophobicContact CG1-CG1 3.95Å; I122-I136 HydrophobicContact CB-CG2 4.32Å; I122-I136 HydrophobicContact CD1-CD1 4.23Å; I122-I136 HydrophobicContact CD1-CG1 4.14Å; I122-V139 HydrophobicContact CG2-CG2 4.15Å
123	K	95.1	Very high	92.2	Very high	43 Å²	43	53.6 Å²	53.6	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.4	168.4	-168	-176.5	-179.9	178.3	0	108.5	Y93 G105 L106 Q137 K138 V140	Y93-K123 WeakPolarHBondContact OH-CE 3.47Å; G105-K123 WeakPolarHBondContact O-CA 3.25Å; L106-K123 HydrophobicContact CD2-CB 4.13Å; L106-K123 HydrophobicContact CD2-CG 4.31Å; K123-Q137 HydrophobicContact CB-CB 4.45Å; K123-Q137 VanDerWaalsContact CD-OE1 3.24Å; K123-Q137 VanDerWaalsContact CG-OE1 3.3Å; K123-Q137 WeakPolarHBondContact O-CB 3.39Å; K123-Q137 PolarHBondContact O-N 2.89Å; K123-K138 HydrophobicContact CB-CG 3.91Å; K123-K138 PolarHBondContact N-O 2.83Å; K123-K138 PolarHBondContact O-N 3.12Å; K123-V140 HydrophobicContact CB-CG2 4.1Å
124	V	96.3	Very high	92.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.3	-179.1	-60.6	0	0	0	0	112.2	I43 F89 R104 G105 V107 I122 W134 Y135	I43-V124 HydrophobicContact CD1-CG1 4.32Å; F89-V124 HydrophobicContact CE1-CG2 3.72Å; F89-V124 HydrophobicContact CZ-CG2 4.3Å; R104-V124 VanDerWaalsContact CA-O 3.3Å; R104-V124 WeakPolarHBondContact CA-O 3.28Å; G105-V124 PolarHBondContact N-O 3.27Å; G105-V124 PolarHBondContact O-N 3.43Å; V107-V124 HydrophobicContact CG2-CG1 4.2Å; V107-V124 HydrophobicContact CG2-CG2 3.68Å; I122-V124 HydrophobicContact CD1-CG1 3.87Å; I122-V124 HydrophobicContact CG1-CG1 3.95Å; V124-W134 HydrophobicContact CB-CE3 4.06Å; V124-W134 HydrophobicContact CG2-CE3 3.65Å; V124-W134 HydrophobicContact CG2-CZ3 3.83Å; V124-Y135 CarbonylContact C-O 3.48Å; V124-Y135 VanDerWaalsContact CA-O 3.23Å; V124-Y135 WeakPolarHBondContact CA-O 3.42Å
125	A	95.9	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.3	172.2	0	0	0	0	0	110.4	L67 L103 L127 Y135 Q137	L67-A125 HydrophobicContact CD1-CB 4.23Å; L103-A125 WeakPolarHBondContact O-CA 3.37Å; A125-L127 HydrophobicContact CB-CD1 4.2Å; A125-L127 HydrophobicContact CB-CD2 4.45Å; A125-L127 HydrophobicContact CB-CG 4.07Å; A125-Y135 PolarHBondContact N-O 3.08Å; A125-Y135 PolarHBondContact O-N 3.46Å; A125-Q137 HydrophobicContact CB-CG 3.81Å
126	R	96.8	Very high	92.8	Very high	47 Å²	47	45.3 Å²	45.3	18%	0.177	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.4	170.3	-152.9	177.7	-177.8	-121.8	6.3	108.8	E42 L103 D133 W134	E42-R126 IonicContact OE1-CZ 2.73Å; E42-R126 IonicContact OE1-NH2 3.36Å; E42-R126 PolarHBondContact OE1-NH2 3.04Å; E42-R126 IonicContact OE2-CZ 2.98Å; E42-R126 IonicContact OE2-NE 2.78Å; E42-R126 PolarHBondContact OE2-NE 2.65Å; E42-R126 IonicContact OE2-NH2 3.78Å; E42-R126 PolarHBondContact OE2-NH2 3.34Å; E42-R126 VanDerWaalsContact OE2-NH2 3.11Å; L103-R126 HydrophobicContact CB-CB 3.94Å; L103-R126 PolarHBondContact O-N 2.86Å; R126-D133 WeakPolarHBondContact CA-O 3.47Å; R126-W134 HydrophobicContact CB-CD2 3.91Å; R126-W134 HydrophobicContact CB-CE3 3.71Å; R126-W134 HydrophobicContact CB-CH2 3.85Å; R126-W134 HydrophobicContact CB-CZ2 4.02Å; R126-W134 HydrophobicContact CB-CZ3 3.69Å; R126-W134 HydrophobicContact CG-CD2 3.95Å; R126-W134 HydrophobicContact CG-CE3 4.29Å; R126-W134 HydrophobicContact CG-CG 4.41Å; R126-W134 HydrophobicContact CG-CH2 4.43Å; R126-W134 HydrophobicContact CG-CZ2 4.09Å
127	L	94.9	Very high	92.8	Very high	37 Å²	37	43.4 Å²	43.4	19%	0.194	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.7	-174	-58.2	173.9	0	0	0	110.3	L67 S100 N101 A125 D133 Y135	L67-L127 HydrophobicContact CD1-CD1 3.54Å; L67-L127 HydrophobicContact CD2-CD1 3.95Å; L67-L127 HydrophobicContact CG-CD1 4.38Å; S100-L127 CarbonylContact O-C 3.51Å; S100-L127 WeakPolarHBondContact O-CA 3.47Å; N101-L127 HydrophobicContact CB-CD2 3.77Å; A125-L127 HydrophobicContact CB-CD1 4.2Å; A125-L127 HydrophobicContact CB-CD2 4.45Å; A125-L127 HydrophobicContact CB-CG 4.07Å; L127-D133 PolarHBondContact N-O 2.99Å; L127-D133 PolarHBondContact O-N 3.44Å; L127-Y135 HydrophobicContact CB-CD2 3.92Å; L127-Y135 HydrophobicContact CB-CE2 3.94Å; L127-Y135 HydrophobicContact CD1-CD2 4.38Å; L127-Y135 HydrophobicContact CG-CD2 4.39Å; L127-Y135 WeakPolarHBondContact O-CE2 3.32Å
128	G	89.9	Confident	92.8	Very high	24 Å²	24	48.9 Å²	48.9	25%	0.247	24%	0.239	C	C	.	.			trans	157.1	172.9	172.7	0	0	0	0	0	111.7	S100 K131	S100-G128 WeakPolarHBondContact CB-O 3.03Å; S100-G128 PolarHBondContact O-N 3.1Å; G128-K131 VanDerWaalsContact CA-O 3.3Å; G128-K131 WeakPolarHBondContact CA-O 3.47Å
129	V	81	Confident	92.8	Very high	139 Å²	139	48.6 Å²	48.6	84%	0.842	24%	0.241	S	C	*	.	S	Bend	trans	-124.7	-56.9	174.1	-178.8	0	0	0	0	109.1
130	E	81.2	Confident	92.8	Very high	202 Å²	202	50.5 Å²	50.5	94%	0.944	25%	0.253	S	S	*	.	S	Bend	trans	-87.8	-43.8	174.9	-64.4	178.6	177.7	0	0	112.1
131	K	88.1	Confident	92.7	Very high	146 Å²	146	56.8 Å²	56.8	64%	0.635	28%	0.282	S	S	*	.	S	Bend	trans	-122	125	174.1	-173.7	-178.7	177.4	-169	0	109.8	G128 D133	G128-K131 VanDerWaalsContact CA-O 3.3Å; G128-K131 WeakPolarHBondContact CA-O 3.47Å; K131-D133 WeakPolarHBondContact CD-OD2 3.3Å; K131-D133 WeakPolarHBondContact CE-OD2 3.32Å; K131-D133 IonicContact NZ-OD2 3.52Å
132	L	91.9	Very high	92.5	Very high	55 Å²	55	59 Å²	59	29%	0.288	29%	0.292	S	S	.	.			trans	-87	132.7	173.3	-62.8	176.1	0	0	0	109.6	S100	S100-L132 WeakPolarHBondContact O-CD2 3.42Å
133	D	95.4	Very high	92.3	Very high	33 Å²	33	60.4 Å²	60.4	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159.6	176.4	-87.8	-56.4	0	0	0	110.3	R126 L127 K131 Y135	R126-D133 WeakPolarHBondContact CA-O 3.47Å; L127-D133 PolarHBondContact N-O 2.99Å; L127-D133 PolarHBondContact O-N 3.44Å; K131-D133 WeakPolarHBondContact CD-OD2 3.3Å; K131-D133 WeakPolarHBondContact CE-OD2 3.32Å; K131-D133 IonicContact NZ-OD2 3.52Å; D133-Y135 HydrophobicContact CB-CE2 3.86Å; D133-Y135 VanDerWaalsContact O-CD2 3.28Å; D133-Y135 WeakPolarHBondContact O-CD2 3.35Å; D133-Y135 WeakPolarHBondContact O-CE2 3.4Å
134	W	96.9	Very high	92	Very high	6 Å²	6	67 Å²	67	2%	0.023	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.5	171.5	-67.9	99.6	0	0	0	111	E42 I43 R46 F89 M92 L103 V124 R126	E42-W134 PolarHBondContact OE2-NE1 3.01Å; I43-W134 HydrophobicContact CD1-CB 3.81Å; I43-W134 HydrophobicContact CD1-CD2 4.49Å; I43-W134 HydrophobicContact CD1-CG 3.98Å; R46-W134 HydrophobicContact CG-CB 4.21Å; R46-W134 PolarHBondContact NE-O 2.86Å; F89-W134 AromaticContact CE1-CH2 3.95Å; F89-W134 HydrophobicContact CE1-CH2 3.95Å; F89-W134 HydrophobicContact CE1-CZ2 4.38Å; F89-W134 HydrophobicContact CE1-CZ3 4.03Å; F89-W134 HydrophobicContact CE2-CZ2 4.37Å; F89-W134 HydrophobicContact CZ-CD2 4.17Å; F89-W134 AromaticContact CZ-CE2 3.88Å; F89-W134 HydrophobicContact CZ-CE3 4.19Å; F89-W134 AromaticContact CZ-CH2 3.66Å; F89-W134 HydrophobicContact CZ-CH2 3.66Å; F89-W134 AromaticContact CZ-CZ2 3.62Å; F89-W134 HydrophobicContact CZ-CZ2 3.62Å; F89-W134 AromaticContact CZ-CZ3 3.95Å; F89-W134 HydrophobicContact CZ-CZ3 3.95Å; M92-W134 HydrophobicContact CE-CH2 3.63Å; M92-W134 HydrophobicContact CE-CZ2 3.79Å; M92-W134 HydrophobicContact SD-CH2 4.48Å; L103-W134 HydrophobicContact CB-CH2 4.01Å; L103-W134 HydrophobicContact CB-CZ3 4.46Å; V124-W134 HydrophobicContact CB-CE3 4.06Å; V124-W134 HydrophobicContact CG2-CE3 3.65Å; V124-W134 HydrophobicContact CG2-CZ3 3.83Å; R126-W134 HydrophobicContact CB-CD2 3.91Å; R126-W134 HydrophobicContact CB-CE3 3.71Å; R126-W134 HydrophobicContact CB-CH2 3.85Å; R126-W134 HydrophobicContact CB-CZ2 4.02Å; R126-W134 HydrophobicContact CB-CZ3 3.69Å; R126-W134 HydrophobicContact CG-CD2 3.95Å; R126-W134 HydrophobicContact CG-CE3 4.29Å; R126-W134 HydrophobicContact CG-CG 4.41Å; R126-W134 HydrophobicContact CG-CH2 4.43Å; R126-W134 HydrophobicContact CG-CZ2 4.09Å
135	Y	95.6	Very high	91.6	Very high	56 Å²	56	67.3 Å²	67.3	22%	0.22	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135	177.9	-60.3	-97.4	0	0	0	111	S64 F65 L67 V124 A125 L127 D133 Q137	S64-Y135 WeakPolarHBondContact O-CE1 3.37Å; F65-Y135 CarbonylContact O-C 3.6Å; F65-Y135 VanDerWaalsContact O-CA 3.3Å; F65-Y135 WeakPolarHBondContact O-CA 3.4Å; L67-Y135 HydrophobicContact CD2-CD1 3.86Å; L67-Y135 HydrophobicContact CD2-CG 3.75Å; L67-Y135 HydrophobicContact CG-CG 4.32Å; V124-Y135 CarbonylContact C-O 3.48Å; V124-Y135 VanDerWaalsContact CA-O 3.23Å; V124-Y135 WeakPolarHBondContact CA-O 3.42Å; A125-Y135 PolarHBondContact N-O 3.08Å; A125-Y135 PolarHBondContact O-N 3.46Å; L127-Y135 HydrophobicContact CB-CD2 3.92Å; L127-Y135 HydrophobicContact CB-CE2 3.94Å; L127-Y135 HydrophobicContact CD1-CD2 4.38Å; L127-Y135 HydrophobicContact CG-CD2 4.39Å; L127-Y135 WeakPolarHBondContact O-CE2 3.32Å; D133-Y135 HydrophobicContact CB-CE2 3.86Å; D133-Y135 VanDerWaalsContact O-CD2 3.28Å; D133-Y135 WeakPolarHBondContact O-CD2 3.35Å; D133-Y135 WeakPolarHBondContact O-CE2 3.4Å; Y135-Q137 PolarHBondContact O-N 3.43Å
136	I	95.7	Very high	91.1	Very high	5 Å²	5	69.1 Å²	69.1	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.4	173.9	-52.4	-180	0	0	0	108.2	L47 F50 F65 V66 L67 F74 I122	L47-I136 HydrophobicContact CD2-CD1 4.03Å; L47-I136 HydrophobicContact CD2-CG1 4.36Å; F50-I136 HydrophobicContact CD1-CD1 4.05Å; F50-I136 HydrophobicContact CE1-CD1 3.75Å; F50-I136 HydrophobicContact CE2-CD1 4.24Å; F50-I136 HydrophobicContact CG-CD1 4.41Å; F50-I136 HydrophobicContact CZ-CD1 3.86Å; F65-I136 PolarHBondContact O-N 2.89Å; V66-I136 CarbonylContact C-O 3.49Å; V66-I136 WeakPolarHBondContact CA-O 3.17Å; V66-I136 WeakPolarHBondContact CG1-O 3.4Å; V66-I136 HydrophobicContact CG2-CB 4.14Å; V66-I136 HydrophobicContact CG2-CD1 4.43Å; L67-I136 PolarHBondContact N-O 3.45Å; F74-I136 HydrophobicContact CE2-CD1 4.29Å; F74-I136 HydrophobicContact CZ-CD1 4.37Å; I122-I136 HydrophobicContact CB-CG2 4.32Å; I122-I136 HydrophobicContact CD1-CD1 4.23Å; I122-I136 HydrophobicContact CD1-CG1 4.14Å
137	Q	91.8	Very high	90.5	Very high	31 Å²	31	71.9 Å²	71.9	15%	0.145	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-45	176.7	-51.7	-167.7	-72	0	0	111.5	L67 K123 A125 Y135	L67-Q137 HydrophobicContact CD1-CG 3.93Å; K123-Q137 HydrophobicContact CB-CB 4.45Å; K123-Q137 VanDerWaalsContact CD-OE1 3.24Å; K123-Q137 VanDerWaalsContact CG-OE1 3.3Å; K123-Q137 WeakPolarHBondContact O-CB 3.39Å; K123-Q137 PolarHBondContact O-N 2.89Å; A125-Q137 HydrophobicContact CB-CG 3.81Å; Y135-Q137 PolarHBondContact O-N 3.43Å
138	K	91.3	Very high	89.8	Confident	117 Å²	117	72.5 Å²	72.5	51%	0.509	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	156	177.1	61.7	172.1	-175.7	167.4	0	110.7	K123	K123-K138 HydrophobicContact CB-CG 3.91Å; K123-K138 PolarHBondContact N-O 2.83Å; K123-K138 PolarHBondContact O-N 3.12Å
139	V	93.6	Very high	88.7	Confident	32 Å²	32	73.8 Å²	73.8	19%	0.194	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128	158.4	-178.1	0	0	0	0	107.3	P73 F74 Y120 I122 E141 Q142	P73-V139 HydrophobicContact CB-CB 4.21Å; P73-V139 HydrophobicContact CB-CG1 4.42Å; P73-V139 HydrophobicContact CB-CG2 3.78Å; P73-V139 HydrophobicContact CG-CB 4.01Å; P73-V139 HydrophobicContact CG-CG2 3.81Å; F74-V139 HydrophobicContact CE1-CG2 4.28Å; F74-V139 HydrophobicContact CE2-CG2 3.65Å; F74-V139 HydrophobicContact CZ-CG2 3.5Å; Y120-V139 HydrophobicContact CD1-CG1 4.09Å; Y120-V139 HydrophobicContact CD1-CG2 4.4Å; I122-V139 HydrophobicContact CG2-CG2 4.15Å; V139-E141 VanDerWaalsContact CG1-O 3.31Å; V139-E141 WeakPolarHBondContact CG1-O 3.4Å; V139-Q142 HydrophobicContact CG1-CB 4.3Å
140	V	92.4	Very high	88	Confident	56 Å²	56	68.7 Å²	68.7	34%	0.339	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-52.7	175.6	-177.6	0	0	0	0	108.8	L106 L121 K123	L106-V140 HydrophobicContact CD2-CG2 3.89Å; L121-V140 HydrophobicContact CB-CB 4.31Å; L121-V140 HydrophobicContact CD2-CB 4.04Å; L121-V140 HydrophobicContact CD2-CG1 3.93Å; L121-V140 HydrophobicContact CG-CB 3.96Å; L121-V140 HydrophobicContact CG-CG1 4.41Å; L121-V140 HydrophobicContact CG-CG2 4.45Å; L121-V140 WeakPolarHBondContact O-CA 3.28Å; L121-V140 WeakPolarHBondContact O-CB 3.49Å; L121-V140 PolarHBondContact O-N 3.2Å; K123-V140 HydrophobicContact CB-CG2 4.1Å
141	E	92.1	Very high	87.2	Confident	133 Å²	133	66.7 Å²	66.7	62%	0.621	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	157.5	-179.6	-73.1	166.5	-150.5	0	0	109.9	L121 V139	L121-E141 HydrophobicContact CB-CB 4.08Å; L121-E141 PolarHBondContact N-O 2.93Å; L121-E141 PolarHBondContact O-N 3.35Å; V139-E141 VanDerWaalsContact CG1-O 3.31Å; V139-E141 WeakPolarHBondContact CG1-O 3.4Å
142	Q	91.5	Very high	86.3	Confident	76 Å²	76	65.5 Å²	65.5	36%	0.355	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	138.6	176.8	-179.5	-168.5	-20.7	0	0	108.2	Y120 V139	Y120-Q142 HydrophobicContact CD1-CB 3.96Å; Y120-Q142 HydrophobicContact CD1-CG 3.6Å; Y120-Q142 HydrophobicContact CE1-CB 4.18Å; Y120-Q142 HydrophobicContact CE1-CG 3.42Å; Y120-Q142 VanDerWaalsContact CE1-CG 3.42Å; Y120-Q142 HydrophobicContact CE2-CG 4.43Å; Y120-Q142 HydrophobicContact CG-CG 4.21Å; Y120-Q142 PolarHBondContact OH-NE2 3.32Å; Y120-Q142 VanDerWaalsContact OH-NE2 3.11Å; V139-Q142 HydrophobicContact CG1-CB 4.3Å
143	D	89.9	Confident	85.9	Confident	29 Å²	29	63.2 Å²	63.2	16%	0.155	31%	0.305	C	S	.	.			trans	-77.2	174.6	172.3	66.6	25.5	0	0	0	113.7	Y118 T119 G145 N280	Y118-D143 WeakPolarHBondContact CA-OD1 3.49Å; T119-D143 WeakPolarHBondContact CB-OD2 3.44Å; T119-D143 PolarHBondContact N-OD1 3.39Å; T119-D143 PolarHBondContact N-OD2 2.92Å; T119-D143 PolarHBondContact O-N 2.93Å; D143-G145 PolarHBondContact O-N 2.79Å; D143-G145 WeakPolarHBondContact OD1-CA 3.45Å; D143-G145 PolarHBondContact OD1-N 2.91Å; D143-N280 PolarHBondContact OD2-ND2 3.19Å
144	H	89.1	Confident	85.5	Confident	181 Å²	181	62.1 Å²	62.1	84%	0.838	30%	0.299	S	S	*	.			trans	-82.6	3.7	175.7	-65.5	-53.2	0	0	0	114	K116	K116-H144 PolarHBondContact NZ-O 2.89Å
145	G	89.2	Confident	85.3	Confident	9 Å²	9	62.5 Å²	62.5	9%	0.093	30%	0.301	C	S	.	.			trans	69.1	128.8	-171.2	0	0	0	0	0	113.7	K116 E117 Y118 D143	K116-G145 PolarHBondContact NZ-O 3.16Å; E117-G145 CarbonylContact O-C 3.56Å; E117-G145 WeakPolarHBondContact O-CA 3.28Å; Y118-G145 VanDerWaalsContact CE1-CA 3.45Å; D143-G145 PolarHBondContact O-N 2.79Å; D143-G145 WeakPolarHBondContact OD1-CA 3.45Å; D143-G145 PolarHBondContact OD1-N 2.91Å
146	I	85.6	Confident	84.9	Confident	38 Å²	38	63 Å²	63	20%	0.195	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	158.5	178.8	56.8	178.1	0	0	0	110.5	K116 E117 Y148 P282	K116-I146 CarbonylContact C-O 3.49Å; K116-I146 WeakPolarHBondContact CA-O 3.47Å; E117-I146 HydrophobicContact CG-CD1 3.81Å; E117-I146 HydrophobicContact CG-CG1 3.32Å; E117-I146 PolarHBondContact N-O 3.36Å; E117-I146 PolarHBondContact O-N 3.49Å; E117-I146 VanDerWaalsContact OE1-CD1 3.3Å; E117-I146 WeakPolarHBondContact OE1-CD1 3.46Å; I146-Y148 PolarHBondContact O-N 2.88Å; I146-P282 VanDerWaalsContact CD1-CA 3.47Å; I146-P282 HydrophobicContact CD1-CB 3.87Å; I146-P282 HydrophobicContact CD1-CG 3.69Å
147	N	83.6	Confident	84.6	Confident	104 Å²	104	65 Å²	65	56%	0.556	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	133	-174.9	-70.9	-24.4	0	0	0	112.5	N150	N147-N150 WeakPolarHBondContact O-CB 3.14Å; N147-N150 PolarHBondContact O-N 2.95Å; N147-N150 VanDerWaalsContact O-N 3.12Å
148	Y	79.8	Confident	84.5	Confident	50 Å²	50	68.3 Å²	68.3	20%	0.196	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	129.4	176.2	-177.5	-92.7	0	0	0	111.5	L85 A112 T113 P114 K115 K116 E117 I146 H283	L85-Y148 HydrophobicContact CD2-CE2 4.32Å; A112-Y148 HydrophobicContact CB-CD1 3.69Å; A112-Y148 HydrophobicContact CB-CD2 4.01Å; A112-Y148 HydrophobicContact CB-CE1 3.8Å; A112-Y148 HydrophobicContact CB-CE2 4.11Å; A112-Y148 HydrophobicContact CB-CG 3.78Å; T113-Y148 VanDerWaalsContact O-CD1 3.24Å; T113-Y148 WeakPolarHBondContact O-CD1 3.17Å; P114-Y148 CarbonylContact C-O 3.51Å; K115-Y148 CarbonylContact C-O 3.56Å; K115-Y148 WeakPolarHBondContact CA-O 3.38Å; K115-Y148 PolarHBondContact N-O 3.12Å; K115-Y148 PolarHBondContact O-N 2.85Å; K116-Y148 VanDerWaalsContact C-CB 3.49Å; E117-Y148 HydrophobicContact CB-CD2 4.13Å; E117-Y148 HydrophobicContact CB-CG 4.3Å; E117-Y148 HydrophobicContact CG-CD2 4.45Å; E117-Y148 WeakPolarHBondContact OE2-CD2 3.4Å; I146-Y148 PolarHBondContact O-N 2.88Å; Y148-H283 HydrophobicContact CD2-CB 4.32Å; Y148-H283 HydrophobicContact CE2-CB 4.04Å
149	P	67	Low	84.5	Confident	52 Å²	52	65 Å²	65	34%	0.338	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	cis	-64.3	133.9	-16.4	26.3	-30.6	0	0	0	109.1	Q151	P149-Q151 HydrophobicContact CG-CG 4.16Å; P149-Q151 WeakPolarHBondContact O-CG 3.41Å; P149-Q151 PolarHBondContact O-N 2.95Å
150	N	65.8	Low	84.3	Confident	32 Å²	32	69.2 Å²	69.2	17%	0.171	35%	0.349	C	S	.	.			trans	-63.2	109.5	168.2	-169.6	-7.6	0	0	0	107.5	N147 Y152 P282 K284	N147-N150 WeakPolarHBondContact O-CB 3.14Å; N147-N150 PolarHBondContact O-N 2.95Å; N147-N150 VanDerWaalsContact O-N 3.12Å; N150-Y152 PolarHBondContact OD1-N 3.35Å; N150-Y152 PolarHBondContact OD1-O 3.29Å; N150-P282 HydrophobicContact CB-CB 4.34Å; N150-K284 WeakPolarHBondContact O-CD 3.49Å; N150-K284 VanDerWaalsContact O-CE 3.3Å; N150-K284 WeakPolarHBondContact O-CE 3.14Å; N150-K284 PolarHBondContact O-NZ 3.15Å
151	Q	64.8	Low	84.1	Confident	159 Å²	159	71.6 Å²	71.6	74%	0.743	37%	0.366	S	S	*	.			trans	-88.5	-22.6	-174.1	-68.8	-172	-2.7	0	0	112.5	P149	P149-Q151 HydrophobicContact CG-CG 4.16Å; P149-Q151 WeakPolarHBondContact O-CG 3.41Å; P149-Q151 PolarHBondContact O-N 2.95Å
152	Y	69.8	Low	84	Confident	121 Å²	121	69.5 Å²	69.5	48%	0.475	36%	0.359	S	S	.	.			trans	-111.2	93.9	-174.6	-160.7	-106.9	0	0	0	110.9	N150 L154 T157 R160	N150-Y152 PolarHBondContact OD1-N 3.35Å; N150-Y152 PolarHBondContact OD1-O 3.29Å; Y152-L154 HydrophobicContact CE1-CB 4.12Å; Y152-L154 HydrophobicContact CE1-CD1 4.42Å; Y152-L154 WeakPolarHBondContact OH-CD1 3.47Å; Y152-T157 HydrophobicContact CE2-CG2 4.38Å; Y152-R160 PolarHBondContact OH-NH2 3.05Å
153	L	82.2	Confident	84	Confident	8 Å²	8	67.4 Å²	67.4	4%	0.042	35%	0.349	C	S	.	.			trans	-112.8	98.9	167.9	-64.3	174.5	0	0	0	107.2	Q155 L156 Y243 K284 V285	L153-Q155 PolarHBondContact O-N 2.87Å; L153-L156 HydrophobicContact CB-CB 4.15Å; L153-L156 HydrophobicContact CB-CD1 3.8Å; L153-L156 HydrophobicContact CB-CG 3.63Å; L153-L156 HydrophobicContact CD1-CD1 3.47Å; L153-L156 VanDerWaalsContact CD1-CD1 3.47Å; L153-L156 HydrophobicContact CD1-CG 4.24Å; L153-L156 HydrophobicContact CG-CD1 4.28Å; L153-L156 WeakPolarHBondContact O-CB 3.3Å; L153-L156 PolarHBondContact O-N 2.89Å; L153-Y243 HydrophobicContact CD2-CE2 3.88Å; L153-K284 HydrophobicContact CD1-CB 3.84Å; L153-V285 HydrophobicContact CD1-CG2 3.77Å; L153-V285 HydrophobicContact CD2-CG2 3.5Å; L153-V285 HydrophobicContact CG-CG2 4.31Å
154	L	88.2	Confident	84.2	Confident	9 Å²	9	68.7 Å²	68.7	5%	0.047	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-56.1	-38	-169.6	175.6	61.8	0	0	0	113.1	Y152 L156 T157 R178 F180 D183 L242	Y152-L154 HydrophobicContact CE1-CB 4.12Å; Y152-L154 HydrophobicContact CE1-CD1 4.42Å; Y152-L154 WeakPolarHBondContact OH-CD1 3.47Å; L154-L156 PolarHBondContact O-N 3.17Å; L154-T157 PolarHBondContact O-N 2.85Å; L154-T157 PolarHBondContact O-OG1 2.87Å; L154-R178 PolarHBondContact O-NH1 3.21Å; L154-F180 HydrophobicContact CD1-CD1 4.24Å; L154-F180 HydrophobicContact CD1-CE1 4.29Å; L154-F180 HydrophobicContact CD2-CB 3.84Å; L154-F180 HydrophobicContact CD2-CD1 3.28Å; L154-F180 HydrophobicContact CD2-CD2 4.48Å; L154-F180 HydrophobicContact CD2-CE1 3.92Å; L154-F180 HydrophobicContact CD2-CG 3.61Å; L154-F180 HydrophobicContact CG-CD1 3.55Å; L154-F180 HydrophobicContact CG-CE1 3.63Å; L154-F180 HydrophobicContact CG-CG 4.23Å; L154-F180 HydrophobicContact CG-CZ 4.36Å; L154-D183 WeakPolarHBondContact CD2-OD2 3.43Å; L154-L242 HydrophobicContact CB-CD2 4.45Å; L154-L242 HydrophobicContact CD2-CD2 4.43Å
155	Q	92.6	Very high	84.6	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.065	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62	-26.3	175.9	-76.4	170.6	-91.4	0	0	113.4	L153 F180 L242 Y243 F245 Q307	L153-Q155 PolarHBondContact O-N 2.87Å; Q155-F180 HydrophobicContact CB-CZ 4.4Å; Q155-F180 HydrophobicContact CG-CD2 4.49Å; Q155-F180 HydrophobicContact CG-CE2 3.43Å; Q155-F180 VanDerWaalsContact CG-CE2 3.43Å; Q155-F180 HydrophobicContact CG-CZ 3.61Å; Q155-L242 HydrophobicContact CG-CD2 3.9Å; Q155-Y243 PolarHBondContact NE2-O 2.85Å; Q155-Y243 PolarHBondContact OE1-O 3.42Å; Q155-F245 HydrophobicContact CB-CD2 4.22Å; Q155-F245 HydrophobicContact CB-CE2 4.43Å; Q155-Q307 HydrophobicContact CB-CG 4.43Å; Q155-Q307 HydrophobicContact CG-CB 4.17Å; Q155-Q307 HydrophobicContact CG-CG 4.46Å
156	L	86.9	Confident	85	Confident	67 Å²	67	59.9 Å²	59.9	35%	0.351	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-93	-5.2	-174.7	-47.9	-164.5	0	0	0	113.1	L153 L154 F245 H288	L153-L156 HydrophobicContact CB-CB 4.15Å; L153-L156 HydrophobicContact CB-CD1 3.8Å; L153-L156 HydrophobicContact CB-CG 3.63Å; L153-L156 HydrophobicContact CD1-CD1 3.47Å; L153-L156 VanDerWaalsContact CD1-CD1 3.47Å; L153-L156 HydrophobicContact CD1-CG 4.24Å; L153-L156 HydrophobicContact CG-CD1 4.28Å; L153-L156 WeakPolarHBondContact O-CB 3.3Å; L153-L156 PolarHBondContact O-N 2.89Å; L154-L156 PolarHBondContact O-N 3.17Å; L156-F245 HydrophobicContact CD2-CD2 3.93Å; L156-F245 HydrophobicContact CD2-CE2 3.65Å; L156-F245 HydrophobicContact CD2-CZ 4.42Å; L156-F245 HydrophobicContact CG-CE2 4.38Å; L156-H288 HydrophobicContact CD1-CB 3.95Å; L156-H288 WeakPolarHBondContact CD2-CD2 3.44Å; L156-H288 VanDerWaalsContact CD2-CE1 3.41Å; L156-H288 WeakPolarHBondContact CD2-CE1 3.37Å; L156-H288 WeakPolarHBondContact CD2-NE2 3.41Å
157	T	90.1	Very high	85.6	Confident	48 Å²	48	59.8 Å²	59.8	29%	0.294	31%	0.311	S	S	.	.	S	Bend	trans	-86.8	149.2	179.4	69.2	0	0	0	0	111	Y152 L154 R178	Y152-T157 HydrophobicContact CE2-CG2 4.38Å; L154-T157 PolarHBondContact O-N 2.85Å; L154-T157 PolarHBondContact O-OG1 2.87Å; T157-R178 PolarHBondContact O-NH1 2.92Å; T157-R178 PolarHBondContact OG1-NH1 2.84Å; T157-R178 VanDerWaalsContact OG1-NH1 3.12Å
158	S	90	Very high	86.3	Confident	100 Å²	100	54.9 Å²	54.9	70%	0.699	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-59.5	151.1	165.2	-54.5	0	0	0	0	111.5	R160	S158-R160 PolarHBondContact O-N 3.27Å
159	P	91.1	Very high	87.2	Confident	47 Å²	47	56 Å²	56	31%	0.305	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-52.2	137.7	169.8	-23.2	30.7	0	0	0	112	E163 L165 R178 I309	P159-E163 HydrophobicContact CB-CB 4.47Å; P159-L165 HydrophobicContact CB-CD2 4.4Å; P159-L165 HydrophobicContact CG-CD2 4.5Å; P159-R178 HydrophobicContact CG-CG 4.32Å; P159-I309 HydrophobicContact CG-CD1 3.75Å
160	R	89.5	Confident	88.8	Confident	120 Å²	120	54.1 Å²	54.1	45%	0.453	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-68.5	154.9	176.1	-59.2	177.8	-172.5	170.8	4.8	110.2	Y152 S158 N162 E163	Y152-R160 PolarHBondContact OH-NH2 3.05Å; S158-R160 PolarHBondContact O-N 3.27Å; R160-N162 PolarHBondContact O-N 3.01Å; R160-E163 HydrophobicContact CB-CB 4.24Å; R160-E163 PolarHBondContact N-OE2 3.33Å; R160-E163 WeakPolarHBondContact O-CB 3.4Å; R160-E163 PolarHBondContact O-N 2.89Å
161	P	88	Confident	90.3	Very high	106 Å²	106	56.9 Å²	56.9	69%	0.688	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131.9	171.7	-25	34.4	0	0	0	111.6	E163	P161-E163 PolarHBondContact O-N 3.05Å
162	N	88.5	Confident	91.8	Very high	90 Å²	90	50.2 Å²	50.2	48%	0.481	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	15.6	-175.7	-53.2	-41.3	0	0	0	115.2	R160 E164 I343	R160-N162 PolarHBondContact O-N 3.01Å; N162-E164 PolarHBondContact O-N 2.96Å; N162-I343 WeakPolarHBondContact CA-O 3.34Å; N162-I343 PolarHBondContact N-O 3.02Å
163	E	93	Very high	93.2	Very high	31 Å²	31	45.8 Å²	45.8	15%	0.145	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-58.1	136.9	168.3	-167.8	171.3	142.5	0	0	109.4	P159 R160 P161 R178 I343	P159-E163 HydrophobicContact CB-CB 4.47Å; R160-E163 HydrophobicContact CB-CB 4.24Å; R160-E163 PolarHBondContact N-OE2 3.33Å; R160-E163 WeakPolarHBondContact O-CB 3.4Å; R160-E163 PolarHBondContact O-N 2.89Å; P161-E163 PolarHBondContact O-N 3.05Å; E163-R178 IonicContact OE1-CZ 3.8Å; E163-R178 IonicContact OE1-NE 3.58Å; E163-R178 PolarHBondContact OE1-NE 2.76Å; E163-R178 IonicContact OE1-NH2 3.75Å; E163-R178 PolarHBondContact OE1-NH2 3.36Å; E163-R178 VanDerWaalsContact OE1-NH2 3.12Å; E163-R178 IonicContact OE2-CZ 3.84Å; E163-R178 IonicContact OE2-NE 3.28Å; E163-R178 IonicContact OE2-NH2 3.32Å; E163-R178 PolarHBondContact OE2-NH2 3.24Å; E163-I343 PolarHBondContact O-N 3.46Å
164	E	94.5	Very high	94	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.9	176.5	-170.7	171.1	128.4	0	0	108.5	N162 F340 R342	N162-E164 PolarHBondContact O-N 2.96Å; E164-F340 HydrophobicContact CG-CB 4.12Å; E164-F340 WeakPolarHBondContact OE1-CB 3.2Å; E164-R342 HydrophobicContact CB-CG 3.89Å; E164-R342 HydrophobicContact CG-CG 4.11Å; E164-R342 IonicContact OE2-CZ 3.12Å; E164-R342 IonicContact OE2-NE 3.6Å; E164-R342 PolarHBondContact OE2-NE 3.48Å; E164-R342 IonicContact OE2-NH2 2.89Å
165	L	96.7	Very high	94.5	Very high	6 Å²	6	48 Å²	48	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	155.8	176.6	-58.9	-174.4	0	0	0	110.7	P159 L167 T176 R178 I309 F340 K341 I343	P159-L165 HydrophobicContact CB-CD2 4.4Å; P159-L165 HydrophobicContact CG-CD2 4.5Å; L165-L167 HydrophobicContact CB-CD1 4.44Å; L165-T176 HydrophobicContact CB-CG2 4.17Å; L165-T176 HydrophobicContact CD1-CG2 3.74Å; L165-R178 HydrophobicContact CD2-CG 3.76Å; L165-I309 HydrophobicContact CD1-CD1 3.66Å; L165-I309 HydrophobicContact CD2-CD1 4.01Å; L165-I309 HydrophobicContact CG-CD1 4.5Å; L165-F340 CarbonylContact O-C 3.39Å; L165-F340 VanDerWaalsContact O-CA 3.31Å; L165-F340 WeakPolarHBondContact O-CA 3.43Å; L165-K341 PolarHBondContact N-O 3.27Å; L165-K341 PolarHBondContact O-N 3.16Å; L165-I343 HydrophobicContact CD1-CD1 3.22Å; L165-I343 HydrophobicContact CD1-CG1 3.68Å; L165-I343 HydrophobicContact CG-CD1 4.13Å; L165-I343 HydrophobicContact CG-CG1 4.22Å
166	C	97.9	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.9	172.3	-179.3	0	0	0	0	109.8	T176 M177 V179 W191 I338 T339 F340	C166-T176 CarbonylContact O-C 3.59Å; C166-T176 WeakPolarHBondContact O-CA 3.16Å; C166-M177 HydrophobicContact CB-CE 4.11Å; C166-M177 HydrophobicContact CB-CG 3.7Å; C166-M177 PolarHBondContact N-O 3.32Å; C166-M177 PolarHBondContact O-N 2.93Å; C166-V179 HydrophobicContact CB-CG1 4.46Å; C166-W191 HydrophobicContact CB-CZ3 4.45Å; C166-W191 WeakPolarHBondContact SG-CH2 3.28Å; C166-W191 WeakPolarHBondContact SG-CZ3 3.48Å; C166-I338 WeakPolarHBondContact SG-CG2 3.2Å; C166-T339 CarbonylContact C-O 3.12Å; C166-T339 WeakPolarHBondContact CA-O 3.46Å; C166-F340 HydrophobicContact CB-CD1 4.14Å; C166-F340 HydrophobicContact CB-CE1 3.94Å
167	L	98.5	Very high	95.3	Very high	36 Å²	36	44.7 Å²	44.7	19%	0.188	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.3	175.1	-72.9	72.1	0	0	0	107.7	L165 T174 I175 T176 I338 T339 K341	L165-L167 HydrophobicContact CB-CD1 4.44Å; L167-T174 HydrophobicContact CB-CG2 4.05Å; L167-T174 HydrophobicContact CD2-CG2 4.27Å; L167-T174 HydrophobicContact CG-CG2 4.27Å; L167-I175 WeakPolarHBondContact CA-O 3.49Å; L167-T176 HydrophobicContact CD1-CG2 4.4Å; L167-T176 HydrophobicContact CG-CG2 4.5Å; L167-I338 WeakPolarHBondContact O-CA 3.45Å; L167-T339 PolarHBondContact N-O 3.04Å; L167-T339 PolarHBondContact O-N 3.32Å; L167-K341 HydrophobicContact CD1-CB 4.05Å
168	I	98.7	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	103.6	171.5	-52.9	176.6	0	0	0	106.1	T170 T174 I175 M177 W191 F263 I335 I338	I168-T170 HydrophobicContact CG2-CG2 3.94Å; I168-T174 WeakPolarHBondContact O-CA 3.37Å; I168-I175 HydrophobicContact CB-CB 4.32Å; I168-I175 PolarHBondContact N-O 2.97Å; I168-I175 PolarHBondContact O-N 3.38Å; I168-M177 HydrophobicContact CD1-SD 3.87Å; I168-W191 HydrophobicContact CD1-CH2 4.22Å; I168-W191 HydrophobicContact CD1-CZ2 4.07Å; I168-W191 HydrophobicContact CG1-CH2 4.31Å; I168-F263 HydrophobicContact CD1-CE2 4.47Å; I168-I335 HydrophobicContact CG2-CD1 4.49Å; I168-I335 HydrophobicContact CG2-CG1 4.08Å; I168-I335 HydrophobicContact CG2-CG2 3.94Å; I168-I338 HydrophobicContact CG1-CG1 4.31Å; I168-I338 HydrophobicContact CG2-CG1 4.29Å
169	E	98.7	Very high	95.9	Very high	75 Å²	75	39 Å²	39	35%	0.35	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126	174.9	-64.8	172.8	-122.5	0	0	108.3	T174 I335 Q336 R337	E169-T174 HydrophobicContact CG-CG2 4.3Å; E169-I335 CarbonylContact O-C 3.36Å; E169-Q336 HydrophobicContact CB-CB 4.48Å; E169-Q336 PolarHBondContact O-N 2.78Å; E169-R337 PolarHBondContact N-O 3.44Å; E169-R337 PolarHBondContact O-N 2.89Å
170	T	98.6	Very high	96.1	Very high	12 Å²	12	37 Å²	37	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	168.6	-178	76.1	0	0	0	0	110.5	I168 A172 G173 I175 F205 K334	I168-T170 HydrophobicContact CG2-CG2 3.94Å; T170-A172 PolarHBondContact O-N 2.8Å; T170-A172 PolarHBondContact OG1-N 2.91Å; T170-G173 WeakPolarHBondContact CA-O 3.31Å; T170-G173 WeakPolarHBondContact CB-O 3.41Å; T170-G173 PolarHBondContact N-O 2.89Å; T170-G173 PolarHBondContact O-N 2.88Å; T170-G173 VanDerWaalsContact O-N 3.1Å; T170-G173 PolarHBondContact OG1-N 2.87Å; T170-G173 PolarHBondContact OG1-O 3.12Å; T170-I175 HydrophobicContact CG2-CD1 4.48Å; T170-F205 HydrophobicContact CG2-CE2 3.98Å; T170-K334 WeakPolarHBondContact CA-O 3.39Å; T170-K334 WeakPolarHBondContact CB-O 3.3Å
171	D	97.6	Very high	96.3	Very high	89 Å²	89	34.3 Å²	34.3	48%	0.476	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.8	173.8	-61.2	-45.4	0	0	0	113.4	I333 K334 Q336	D171-I333 HydrophobicContact CB-CD1 4.05Å; D171-I333 HydrophobicContact CB-CG2 4.21Å; D171-K334 PolarHBondContact N-O 3.02Å; D171-K334 WeakPolarHBondContact OD2-CB 3.43Å; D171-K334 PolarHBondContact OD2-N 2.99Å; D171-Q336 PolarHBondContact OD1-NE2 3.5Å
172	A	97.7	Very high	96.5	Very high	20 Å²	20	36.6 Å²	36.6	17%	0.165	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.9	179.9	0	0	0	0	0	113.4	T170 V314 E317 I318 I333	T170-A172 PolarHBondContact O-N 2.8Å; T170-A172 PolarHBondContact OG1-N 2.91Å; A172-V314 HydrophobicContact CB-CG1 3.84Å; A172-E317 HydrophobicContact CB-CG 4.5Å; A172-I318 HydrophobicContact CB-CG1 4.35Å; A172-I333 HydrophobicContact CB-CD1 4.12Å; A172-I333 HydrophobicContact CB-CG1 4.33Å; A172-I333 HydrophobicContact CB-CG2 4.07Å
173	G	98.6	Very high	96.6	Very high	28 Å²	28	35.6 Å²	35.6	29%	0.289	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.5	-166.4	-177.8	0	0	0	0	0	113.3	T170	T170-G173 WeakPolarHBondContact CA-O 3.31Å; T170-G173 WeakPolarHBondContact CB-O 3.41Å; T170-G173 PolarHBondContact N-O 2.89Å; T170-G173 PolarHBondContact O-N 2.88Å; T170-G173 VanDerWaalsContact O-N 3.1Å; T170-G173 PolarHBondContact OG1-N 2.87Å; T170-G173 PolarHBondContact OG1-O 3.12Å
174	T	98.7	Very high	96.7	Very high	62 Å²	62	34.1 Å²	34.1	38%	0.38	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.6	-173.7	-50.9	0	0	0	0	111.9	L167 I168 E169	L167-T174 HydrophobicContact CB-CG2 4.05Å; L167-T174 HydrophobicContact CD2-CG2 4.27Å; L167-T174 HydrophobicContact CG-CG2 4.27Å; I168-T174 WeakPolarHBondContact O-CA 3.37Å; E169-T174 HydrophobicContact CG-CG2 4.3Å
175	I	98.7	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.4	170	-58.2	163.7	0	0	0	107.9	L167 I168 T170 F205 I265 V308 V314 V315 I318	L167-I175 WeakPolarHBondContact CA-O 3.49Å; I168-I175 HydrophobicContact CB-CB 4.32Å; I168-I175 PolarHBondContact N-O 2.97Å; I168-I175 PolarHBondContact O-N 3.38Å; T170-I175 HydrophobicContact CG2-CD1 4.48Å; I175-F205 HydrophobicContact CD1-CZ 4.43Å; I175-I265 HydrophobicContact CD1-CD1 4.18Å; I175-I265 HydrophobicContact CG2-CD1 4.31Å; I175-V308 HydrophobicContact CG2-CB 4.35Å; I175-V308 HydrophobicContact CG2-CG1 3.75Å; I175-V308 HydrophobicContact CG2-CG2 3.64Å; I175-V314 HydrophobicContact CD1-CG1 4.32Å; I175-V314 HydrophobicContact CG1-CB 4.06Å; I175-V314 HydrophobicContact CG1-CG1 4.03Å; I175-V315 HydrophobicContact CD1-CG2 3.73Å; I175-V315 HydrophobicContact CG1-CG2 4Å; I175-V315 HydrophobicContact CG2-CG2 4.2Å; I175-I318 HydrophobicContact CD1-CD1 4.25Å
176	T	98.3	Very high	96.8	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.8	176.9	-54	0	0	0	0	109.3	L165 C166 L167 I309 E310	L165-T176 HydrophobicContact CB-CG2 4.17Å; L165-T176 HydrophobicContact CD1-CG2 3.74Å; C166-T176 CarbonylContact O-C 3.59Å; C166-T176 WeakPolarHBondContact O-CA 3.16Å; L167-T176 HydrophobicContact CD1-CG2 4.4Å; L167-T176 HydrophobicContact CG-CG2 4.5Å; T176-I309 HydrophobicContact CG2-CD1 4.14Å; T176-I309 HydrophobicContact CG2-CG1 4.02Å; T176-I309 WeakPolarHBondContact O-CG1 3.39Å; T176-I309 PolarHBondContact O-N 2.83Å; T176-E310 PolarHBondContact N-O 2.87Å; T176-E310 PolarHBondContact O-N 2.94Å
177	M	97.8	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.3	-178.5	71.2	-174.7	-137.8	0	0	113	C166 I168 V179 W191 V249 F305 Q307 V308	C166-M177 HydrophobicContact CB-CE 4.11Å; C166-M177 HydrophobicContact CB-CG 3.7Å; C166-M177 PolarHBondContact N-O 3.32Å; C166-M177 PolarHBondContact O-N 2.93Å; I168-M177 HydrophobicContact CD1-SD 3.87Å; M177-V179 HydrophobicContact CE-CG1 3.55Å; M177-W191 HydrophobicContact CE-CE3 4.04Å; M177-W191 HydrophobicContact CE-CH2 3.44Å; M177-W191 VanDerWaalsContact CE-CH2 3.44Å; M177-W191 HydrophobicContact CE-CZ2 3.95Å; M177-W191 HydrophobicContact CE-CZ3 3.5Å; M177-W191 VanDerWaalsContact CE-CZ3 3.5Å; M177-W191 HydrophobicContact SD-CH2 4.29Å; M177-V249 HydrophobicContact CB-CG2 4.39Å; M177-V249 HydrophobicContact CE-CG1 4.28Å; M177-V249 HydrophobicContact SD-CB 4.37Å; M177-V249 HydrophobicContact SD-CG1 4.08Å; M177-V249 HydrophobicContact SD-CG2 3.83Å; M177-F305 HydrophobicContact CE-CE2 3.88Å; M177-F305 HydrophobicContact CE-CZ 4.47Å; M177-Q307 CarbonylContact C-O 3.58Å; M177-Q307 VanDerWaalsContact CA-O 3.25Å; M177-Q307 WeakPolarHBondContact CA-O 3.36Å; M177-Q307 WeakPolarHBondContact CB-O 3.16Å; M177-V308 HydrophobicContact CB-CG2 4.42Å
178	R	96.5	Very high	96.8	Very high	3 Å²	3	36 Å²	36	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.1	165.2	-60.8	174.8	73.3	-151.5	-5.4	109.3	L154 T157 P159 E163 L165 F180 G306 Q307 I309	L154-R178 PolarHBondContact O-NH1 3.21Å; T157-R178 PolarHBondContact O-NH1 2.92Å; T157-R178 PolarHBondContact OG1-NH1 2.84Å; T157-R178 VanDerWaalsContact OG1-NH1 3.12Å; P159-R178 HydrophobicContact CG-CG 4.32Å; E163-R178 IonicContact OE1-CZ 3.8Å; E163-R178 IonicContact OE1-NE 3.58Å; E163-R178 PolarHBondContact OE1-NE 2.76Å; E163-R178 IonicContact OE1-NH2 3.75Å; E163-R178 PolarHBondContact OE1-NH2 3.36Å; E163-R178 VanDerWaalsContact OE1-NH2 3.12Å; E163-R178 IonicContact OE2-CZ 3.84Å; E163-R178 IonicContact OE2-NE 3.28Å; E163-R178 IonicContact OE2-NH2 3.32Å; E163-R178 PolarHBondContact OE2-NH2 3.24Å; L165-R178 HydrophobicContact CD2-CG 3.76Å; R178-F180 HydrophobicContact CB-CE1 4Å; R178-F180 HydrophobicContact CB-CZ 4.35Å; R178-G306 CarbonylContact O-C 3.47Å; R178-G306 WeakPolarHBondContact O-CA 3.29Å; R178-Q307 PolarHBondContact N-O 2.79Å; R178-Q307 PolarHBondContact O-N 3.39Å; R178-I309 HydrophobicContact CG-CD1 4.18Å; R178-I309 HydrophobicContact CG-CG2 3.69Å
179	V	96.2	Very high	96.8	Very high	25 Å²	25	41.2 Å²	41.2	15%	0.152	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.3	172.8	-69	0	0	0	0	110.5	C166 M177 Q181 V188 F305	C166-V179 HydrophobicContact CB-CG1 4.46Å; M177-V179 HydrophobicContact CE-CG1 3.55Å; V179-Q181 PolarHBondContact O-N 2.69Å; V179-V188 HydrophobicContact CB-CG1 4.05Å; V179-V188 HydrophobicContact CB-CG2 4.16Å; V179-V188 HydrophobicContact CG2-CG1 4.15Å; V179-F305 WeakPolarHBondContact CA-O 3.44Å
180	F	94.7	Very high	96.8	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.022	20%	0.201	C	C	.	.			trans	-100.5	67.7	-171.6	-53	-49.3	0	0	0	111.2	L154 Q155 R178 Q182 D183 A184 L242 F305 Q307	L154-F180 HydrophobicContact CD1-CD1 4.24Å; L154-F180 HydrophobicContact CD1-CE1 4.29Å; L154-F180 HydrophobicContact CD2-CB 3.84Å; L154-F180 HydrophobicContact CD2-CD1 3.28Å; L154-F180 HydrophobicContact CD2-CD2 4.48Å; L154-F180 HydrophobicContact CD2-CE1 3.92Å; L154-F180 HydrophobicContact CD2-CG 3.61Å; L154-F180 HydrophobicContact CG-CD1 3.55Å; L154-F180 HydrophobicContact CG-CE1 3.63Å; L154-F180 HydrophobicContact CG-CG 4.23Å; L154-F180 HydrophobicContact CG-CZ 4.36Å; Q155-F180 HydrophobicContact CB-CZ 4.4Å; Q155-F180 HydrophobicContact CG-CD2 4.49Å; Q155-F180 HydrophobicContact CG-CE2 3.43Å; Q155-F180 VanDerWaalsContact CG-CE2 3.43Å; Q155-F180 HydrophobicContact CG-CZ 3.61Å; R178-F180 HydrophobicContact CB-CE1 4Å; R178-F180 HydrophobicContact CB-CZ 4.35Å; F180-Q182 PolarHBondContact O-N 3.45Å; F180-Q182 VanDerWaalsContact O-N 3.08Å; F180-D183 HydrophobicContact CB-CB 4.11Å; F180-D183 PolarHBondContact O-N 3.25Å; F180-D183 VanDerWaalsContact O-N 3.09Å; F180-A184 PolarHBondContact O-N 3.24Å; F180-L242 HydrophobicContact CB-CD1 4.16Å; F180-L242 HydrophobicContact CD2-CD1 3.76Å; F180-L242 HydrophobicContact CD2-CD2 3.58Å; F180-L242 HydrophobicContact CD2-CG 4.35Å; F180-L242 HydrophobicContact CE2-CD2 3.88Å; F180-L242 HydrophobicContact CG-CD1 4.34Å; F180-L242 HydrophobicContact CG-CD2 4.18Å; F180-F305 PolarHBondContact N-O 2.82Å; F180-Q307 HydrophobicContact CE2-CB 3.92Å; F180-Q307 HydrophobicContact CZ-CB 3.64Å
181	Q	94.2	Very high	96.8	Very high	64 Å²	64	37.1 Å²	37.1	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.3	-173.6	178.9	65.3	87.5	0	0	114.4	V179 P185 V188	V179-Q181 PolarHBondContact O-N 2.69Å; Q181-P185 VanDerWaalsContact NE2-CA 3.29Å; Q181-P185 PolarHBondContact NE2-O 3.04Å; Q181-P185 VanDerWaalsContact O-CA 3.25Å; Q181-P185 WeakPolarHBondContact O-CA 3.25Å; Q181-P185 WeakPolarHBondContact O-CB 2.83Å; Q181-V188 HydrophobicContact CB-CB 4.49Å; Q181-V188 HydrophobicContact CB-CG1 4.06Å; Q181-V188 HydrophobicContact CG-CG1 4.49Å
182	Q	92	Very high	96.8	Very high	154 Å²	154	36.1 Å²	36.1	72%	0.72	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-35.1	178.7	-68.2	-177.3	-16	0	0	111.8	F180	F180-Q182 PolarHBondContact O-N 3.45Å; F180-Q182 VanDerWaalsContact O-N 3.08Å
183	D	91.9	Very high	96.8	Very high	68 Å²	68	36 Å²	36	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-31.2	-173.7	-49.9	-104.4	0	0	0	112.1	L154 F180 L242	L154-D183 WeakPolarHBondContact CD2-OD2 3.43Å; F180-D183 HydrophobicContact CB-CB 4.11Å; F180-D183 PolarHBondContact O-N 3.25Å; F180-D183 VanDerWaalsContact O-N 3.09Å; D183-L242 HydrophobicContact CB-CD1 3.93Å; D183-L242 HydrophobicContact CB-CG 4.42Å
184	A	95	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-132.3	63.8	175.9	0	0	0	0	0	111.3	F180 K186 A187 V188 E237 T303 F305	F180-A184 PolarHBondContact O-N 3.24Å; A184-K186 PolarHBondContact O-N 2.94Å; A184-A187 HydrophobicContact CB-CB 4.05Å; A184-V188 WeakPolarHBondContact O-CB 3.25Å; A184-V188 VanDerWaalsContact O-CG2 3.28Å; A184-V188 WeakPolarHBondContact O-CG2 3.43Å; A184-V188 PolarHBondContact O-N 3.47Å; A184-E237 VanDerWaalsContact CA-OE2 3.28Å; A184-E237 WeakPolarHBondContact CA-OE2 3.5Å; A184-E237 HydrophobicContact CB-CB 4.41Å; A184-T303 HydrophobicContact CB-CG2 4.16Å; A184-F305 HydrophobicContact CB-CB 3.81Å
185	P	96.4	Very high	96.8	Very high	55 Å²	55	32 Å²	32	36%	0.357	16%	0.158	S	C	.	.	H	α-helix	trans	-61.8	-38.6	-169.6	20.6	-31.5	0	0	0	114.7	Q181 K189 E237	Q181-P185 VanDerWaalsContact NE2-CA 3.29Å; Q181-P185 PolarHBondContact NE2-O 3.04Å; Q181-P185 VanDerWaalsContact O-CA 3.25Å; Q181-P185 WeakPolarHBondContact O-CA 3.25Å; Q181-P185 WeakPolarHBondContact O-CB 2.83Å; P185-K189 WeakPolarHBondContact O-CB 3.45Å; P185-K189 PolarHBondContact O-N 3.41Å; P185-E237 WeakPolarHBondContact CD-OE1 3.49Å; P185-E237 VanDerWaalsContact CG-OE1 3.23Å; P185-E237 WeakPolarHBondContact CG-OE1 3.38Å
186	K	97.3	Very high	96.8	Very high	82 Å²	82	38.2 Å²	38.2	36%	0.357	19%	0.185	S	C	.	.	H	α-helix	trans	-76.2	-42.2	-178.3	-66.1	-176.7	176.1	176	0	111.5	A184 K189 N190 Y230 F234 E235 E237	A184-K186 PolarHBondContact O-N 2.94Å; K186-K189 PolarHBondContact O-N 2.94Å; K186-N190 VanDerWaalsContact O-CB 3.26Å; K186-N190 WeakPolarHBondContact O-CB 3.41Å; K186-N190 PolarHBondContact O-N 3.35Å; K186-Y230 WeakPolarHBondContact CA-OH 3.38Å; K186-Y230 HydrophobicContact CB-CE2 4.34Å; K186-Y230 PolarHBondContact O-OH 2.89Å; K186-Y230 VanDerWaalsContact O-OH 3.06Å; K186-F234 HydrophobicContact CB-CD2 4.33Å; K186-F234 HydrophobicContact CB-CE2 4.41Å; K186-E235 WeakPolarHBondContact CD-OE1 3.44Å; K186-E235 VanDerWaalsContact CE-OE1 3.29Å; K186-E235 WeakPolarHBondContact CE-OE1 3.26Å; K186-E235 IonicContact NZ-OE1 2.69Å; K186-E235 PolarHBondContact NZ-OE1 2.81Å; K186-E235 IonicContact NZ-OE2 3.82Å; K186-E235 PolarHBondContact NZ-OE2 3.42Å; K186-E237 WeakPolarHBondContact CB-OE1 3.36Å; K186-E237 WeakPolarHBondContact CG-OE1 3.47Å; K186-E237 VanDerWaalsContact N-CD 3.33Å; K186-E237 PolarHBondContact N-OE1 3.31Å; K186-E237 PolarHBondContact N-OE2 2.96Å
187	A	97.8	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-52.6	174.6	0	0	0	0	0	111.1	A184 K189 N190 W191 E237 L251 T303 F305	A184-A187 HydrophobicContact CB-CB 4.05Å; A187-K189 PolarHBondContact O-N 3.41Å; A187-N190 PolarHBondContact O-N 3.12Å; A187-W191 WeakPolarHBondContact O-CB 3.45Å; A187-W191 PolarHBondContact O-N 2.95Å; A187-E237 WeakPolarHBondContact CB-OE2 3.41Å; A187-E237 PolarHBondContact N-OE2 2.92Å; A187-L251 HydrophobicContact CB-CD1 3.52Å; A187-L251 HydrophobicContact CB-CG 4.22Å; A187-T303 HydrophobicContact CB-CG2 3.64Å; A187-F305 HydrophobicContact CB-CB 3.79Å; A187-F305 HydrophobicContact CB-CG 4.27Å
188	V	97.9	Very high	96.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-43.2	178.6	175.8	0	0	0	0	111	V179 Q181 A184 N190 R192 F305	V179-V188 HydrophobicContact CB-CG1 4.05Å; V179-V188 HydrophobicContact CB-CG2 4.16Å; V179-V188 HydrophobicContact CG2-CG1 4.15Å; Q181-V188 HydrophobicContact CB-CB 4.49Å; Q181-V188 HydrophobicContact CB-CG1 4.06Å; Q181-V188 HydrophobicContact CG-CG1 4.49Å; A184-V188 WeakPolarHBondContact O-CB 3.25Å; A184-V188 VanDerWaalsContact O-CG2 3.28Å; A184-V188 WeakPolarHBondContact O-CG2 3.43Å; A184-V188 PolarHBondContact O-N 3.47Å; V188-N190 VanDerWaalsContact C-N 3.34Å; V188-N190 PolarHBondContact O-N 2.91Å; V188-R192 WeakPolarHBondContact O-CB 3.12Å; V188-R192 PolarHBondContact O-N 2.85Å; V188-F305 HydrophobicContact CG2-CB 4Å; V188-F305 HydrophobicContact CG2-CD2 4.08Å
189	K	98.3	Very high	96.8	Very high	110 Å²	110	48.3 Å²	48.3	48%	0.478	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-43.4	179.3	-173.2	-171.9	170.6	-173.9	0	111.1	P185 K186 A187 G193 I229 Y230	P185-K189 WeakPolarHBondContact O-CB 3.45Å; P185-K189 PolarHBondContact O-N 3.41Å; K186-K189 PolarHBondContact O-N 2.94Å; A187-K189 PolarHBondContact O-N 3.41Å; K189-G193 PolarHBondContact O-N 2.83Å; K189-I229 HydrophobicContact CB-CD1 4.36Å; K189-I229 HydrophobicContact CD-CD1 4.08Å; K189-I229 HydrophobicContact CG-CD1 3.66Å; K189-I229 WeakPolarHBondContact O-CD1 3.48Å; K189-Y230 HydrophobicContact CD-CE1 4.43Å
190	N	98.6	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-59.2	177.6	177.8	59.1	0	0	0	112.2	K186 A187 V188 R192 G193 L194 S228 I229 Y230 F234 G260	K186-N190 VanDerWaalsContact O-CB 3.26Å; K186-N190 WeakPolarHBondContact O-CB 3.41Å; K186-N190 PolarHBondContact O-N 3.35Å; A187-N190 PolarHBondContact O-N 3.12Å; V188-N190 VanDerWaalsContact C-N 3.34Å; V188-N190 PolarHBondContact O-N 2.91Å; N190-R192 VanDerWaalsContact C-N 3.32Å; N190-R192 PolarHBondContact O-N 3.06Å; N190-G193 WeakPolarHBondContact O-CA 3.33Å; N190-G193 PolarHBondContact O-N 3.26Å; N190-L194 PolarHBondContact O-N 3.45Å; N190-S228 VanDerWaalsContact OD1-CA 3.27Å; N190-S228 WeakPolarHBondContact OD1-CA 3.28Å; N190-S228 VanDerWaalsContact OD1-CB 3.25Å; N190-S228 WeakPolarHBondContact OD1-CB 3.38Å; N190-I229 HydrophobicContact CB-CD1 4.42Å; N190-I229 HydrophobicContact CB-CG1 4.15Å; N190-I229 PolarHBondContact OD1-N 2.75Å; N190-Y230 HydrophobicContact CB-CD2 4.5Å; N190-Y230 HydrophobicContact CB-CE2 3.84Å; N190-F234 HydrophobicContact CB-CE1 4.02Å; N190-F234 HydrophobicContact CB-CZ 3.89Å; N190-F234 VanDerWaalsContact ND2-CE1 3.34Å; N190-F234 WeakPolarHBondContact ND2-CE1 3.28Å; N190-G260 PolarHBondContact ND2-O 2.94Å
191	W	98.5	Very high	97	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-44.6	-175.4	-174.7	91.5	0	0	0	111.4	C166 I168 M177 A187 G193 L194 A195 Y200 F263 F305 I338 F340	C166-W191 HydrophobicContact CB-CZ3 4.45Å; C166-W191 WeakPolarHBondContact SG-CH2 3.28Å; C166-W191 WeakPolarHBondContact SG-CZ3 3.48Å; I168-W191 HydrophobicContact CD1-CH2 4.22Å; I168-W191 HydrophobicContact CD1-CZ2 4.07Å; I168-W191 HydrophobicContact CG1-CH2 4.31Å; M177-W191 HydrophobicContact CE-CE3 4.04Å; M177-W191 HydrophobicContact CE-CH2 3.44Å; M177-W191 VanDerWaalsContact CE-CH2 3.44Å; M177-W191 HydrophobicContact CE-CZ2 3.95Å; M177-W191 HydrophobicContact CE-CZ3 3.5Å; M177-W191 VanDerWaalsContact CE-CZ3 3.5Å; M177-W191 HydrophobicContact SD-CH2 4.29Å; A187-W191 WeakPolarHBondContact O-CB 3.45Å; A187-W191 PolarHBondContact O-N 2.95Å; W191-G193 VanDerWaalsContact C-N 3.34Å; W191-G193 PolarHBondContact O-N 3.32Å; W191-L194 PolarHBondContact O-N 3.14Å; W191-A195 HydrophobicContact CZ3-CB 4.43Å; W191-A195 WeakPolarHBondContact O-CB 3.4Å; W191-A195 PolarHBondContact O-N 3.43Å; W191-Y200 AromaticContact CD1-CE2 3.93Å; W191-Y200 AromaticContact CD1-CZ 3.73Å; W191-Y200 VanDerWaalsContact CD1-OH 3.26Å; W191-Y200 HydrophobicContact CD2-CE2 4.48Å; W191-Y200 HydrophobicContact CG-CE2 4.34Å; W191-Y200 AromaticContact NE1-CE2 3.81Å; W191-Y200 AromaticContact NE1-CZ 3.8Å; W191-F263 AromaticContact NE1-CD1 3.37Å; W191-F263 AromaticContact NE1-CD2 3.86Å; W191-F263 AromaticContact NE1-CE1 3.78Å; W191-F263 AromaticContact NE1-CG 3.41Å; W191-F305 HydrophobicContact CB-CE2 3.99Å; W191-F305 HydrophobicContact CB-CZ 4.05Å; W191-F305 AromaticContact CD1-CZ 3.62Å; W191-F305 AromaticContact CD2-CE2 3.74Å; W191-F305 HydrophobicContact CD2-CE2 3.74Å; W191-F305 AromaticContact CD2-CZ 3.82Å; W191-F305 HydrophobicContact CD2-CZ 3.82Å; W191-F305 HydrophobicContact CE3-CE2 4.01Å; W191-F305 AromaticContact CG-CE2 3.73Å; W191-F305 HydrophobicContact CG-CE2 3.73Å; W191-F305 AromaticContact CG-CZ 3.55Å; W191-F305 HydrophobicContact CG-CZ 3.55Å; W191-F305 AromaticContact NE1-CZ 3.91Å; W191-I338 HydrophobicContact CH2-CD1 3.89Å; W191-I338 HydrophobicContact CH2-CG2 3.72Å; W191-I338 HydrophobicContact CZ2-CD1 3.72Å; W191-I338 HydrophobicContact CZ3-CG2 4.15Å; W191-F340 HydrophobicContact CZ3-CE1 4.24Å; W191-F340 AromaticContact CZ3-CZ 3.99Å; W191-F340 HydrophobicContact CZ3-CZ 3.99Å
192	R	98.2	Very high	97.2	Very high	68 Å²	68	48.8 Å²	48.8	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-38.6	174.3	178.1	177.7	68.4	-167.5	-14.1	112.5	V188 N190 K196 F340	V188-R192 WeakPolarHBondContact O-CB 3.12Å; V188-R192 PolarHBondContact O-N 2.85Å; N190-R192 VanDerWaalsContact C-N 3.32Å; N190-R192 PolarHBondContact O-N 3.06Å; R192-K196 HydrophobicContact CG-CD 4.21Å; R192-K196 HydrophobicContact CG-CG 4.45Å; R192-K196 WeakPolarHBondContact O-CB 3.38Å; R192-K196 WeakPolarHBondContact O-CG 3.36Å; R192-K196 PolarHBondContact O-N 3.47Å; R192-F340 HydrophobicContact CB-CE1 4.26Å; R192-F340 HydrophobicContact CB-CZ 4Å; R192-F340 HydrophobicContact CG-CD1 4.46Å; R192-F340 HydrophobicContact CG-CE1 3.77Å; R192-F340 HydrophobicContact CG-CE2 3.97Å; R192-F340 HydrophobicContact CG-CZ 3.52Å
193	G	98.2	Very high	97.4	Very high	18 Å²	18	43.1 Å²	43.1	19%	0.186	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-49.3	179.3	0	0	0	0	0	111.4	K189 N190 W191 K196 Q197	K189-G193 PolarHBondContact O-N 2.83Å; N190-G193 WeakPolarHBondContact O-CA 3.33Å; N190-G193 PolarHBondContact O-N 3.26Å; W191-G193 VanDerWaalsContact C-N 3.34Å; W191-G193 PolarHBondContact O-N 3.32Å; G193-K196 PolarHBondContact O-N 3.28Å; G193-Q197 VanDerWaalsContact O-CG 3.3Å; G193-Q197 WeakPolarHBondContact O-CG 3.24Å; G193-Q197 PolarHBondContact O-N 2.92Å; G193-Q197 VanDerWaalsContact O-N 3.16Å
194	L	98.5	Very high	97.7	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-44.8	175.1	-68	176.1	0	0	0	112	N190 W191 K196 Q197 G198 F199 Y200 T227 I229 N261	N190-L194 PolarHBondContact O-N 3.45Å; W191-L194 PolarHBondContact O-N 3.14Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.32Å; L194-Q197 WeakPolarHBondContact O-CB 3.5Å; L194-Q197 PolarHBondContact O-N 3.41Å; L194-G198 PolarHBondContact O-N 2.81Å; L194-F199 HydrophobicContact CB-CB 3.87Å; L194-F199 HydrophobicContact CB-CD1 4.39Å; L194-F199 HydrophobicContact CB-CG 4.21Å; L194-F199 HydrophobicContact CD1-CD1 4.49Å; L194-F199 HydrophobicContact CD2-CB 4.27Å; L194-F199 HydrophobicContact CD2-CD2 4.18Å; L194-F199 HydrophobicContact CD2-CG 4.13Å; L194-F199 VanDerWaalsContact O-CB 3.29Å; L194-F199 WeakPolarHBondContact O-CB 3.15Å; L194-F199 PolarHBondContact O-N 3.43Å; L194-Y200 HydrophobicContact CB-CE2 3.74Å; L194-T227 HydrophobicContact CD2-CG2 4.31Å; L194-I229 HydrophobicContact CD2-CG2 4.35Å; L194-I229 HydrophobicContact CG-CG2 4.23Å; L194-N261 HydrophobicContact CD1-CB 3.56Å
195	A	98.4	Very high	97.9	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-43.3	175.8	0	0	0	0	0	112.6	W191 Q197 G198 Y200 I338 F340	W191-A195 HydrophobicContact CZ3-CB 4.43Å; W191-A195 WeakPolarHBondContact O-CB 3.4Å; W191-A195 PolarHBondContact O-N 3.43Å; A195-Q197 PolarHBondContact O-N 3.16Å; A195-G198 PolarHBondContact O-N 3.28Å; A195-G198 VanDerWaalsContact O-N 3.08Å; A195-Y200 HydrophobicContact CB-CD2 4Å; A195-Y200 HydrophobicContact CB-CE2 4.23Å; A195-I338 HydrophobicContact CB-CB 4Å; A195-I338 HydrophobicContact CB-CD1 4.06Å; A195-I338 HydrophobicContact CB-CG2 3.79Å; A195-F340 HydrophobicContact CB-CE2 4.25Å; A195-F340 HydrophobicContact CB-CZ 4.17Å
196	K	98.1	Very high	97.9	Very high	132 Å²	132	40.4 Å²	40.4	57%	0.574	22%	0.216	S	C	*	.	H	α-helix	trans	-68.7	-22	176.8	-75.4	-177.1	176.4	-174.6	0	113.9	R192 G193 L194 G198 F340	R192-K196 HydrophobicContact CG-CD 4.21Å; R192-K196 HydrophobicContact CG-CG 4.45Å; R192-K196 WeakPolarHBondContact O-CB 3.38Å; R192-K196 WeakPolarHBondContact O-CG 3.36Å; R192-K196 PolarHBondContact O-N 3.47Å; G193-K196 PolarHBondContact O-N 3.28Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.32Å; K196-G198 VanDerWaalsContact C-N 3.26Å; K196-F340 HydrophobicContact CG-CD2 4.26Å; K196-F340 HydrophobicContact CG-CE2 3.92Å
197	Q	97.6	Very high	97.9	Very high	142 Å²	142	40.9 Å²	40.9	66%	0.664	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-3	173.8	-68.6	168.9	8.7	0	0	112.3	G193 L194 A195 F199	G193-Q197 VanDerWaalsContact O-CG 3.3Å; G193-Q197 WeakPolarHBondContact O-CG 3.24Å; G193-Q197 PolarHBondContact O-N 2.92Å; G193-Q197 VanDerWaalsContact O-N 3.16Å; L194-Q197 WeakPolarHBondContact O-CB 3.5Å; L194-Q197 PolarHBondContact O-N 3.41Å; A195-Q197 PolarHBondContact O-N 3.16Å; Q197-F199 VanDerWaalsContact C-N 3.3Å
198	G	97.5	Very high	97.9	Very high	26 Å²	26	41 Å²	41	27%	0.268	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	14.8	-176.4	0	0	0	0	0	113.7	L194 A195 K196 Y200 D201	L194-G198 PolarHBondContact O-N 2.81Å; A195-G198 PolarHBondContact O-N 3.28Å; A195-G198 VanDerWaalsContact O-N 3.08Å; K196-G198 VanDerWaalsContact C-N 3.26Å; G198-Y200 PolarHBondContact O-N 2.86Å; G198-D201 WeakPolarHBondContact O-CB 3.42Å; G198-D201 PolarHBondContact O-N 3.2Å
199	F	97.4	Very high	97.9	Very high	60 Å²	60	43.2 Å²	43.2	26%	0.263	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.4	-176.3	-179.4	-89.1	0	0	0	112.9	L194 Q197 T227 N261	L194-F199 HydrophobicContact CB-CB 3.87Å; L194-F199 HydrophobicContact CB-CD1 4.39Å; L194-F199 HydrophobicContact CB-CG 4.21Å; L194-F199 HydrophobicContact CD1-CD1 4.49Å; L194-F199 HydrophobicContact CD2-CB 4.27Å; L194-F199 HydrophobicContact CD2-CD2 4.18Å; L194-F199 HydrophobicContact CD2-CG 4.13Å; L194-F199 VanDerWaalsContact O-CB 3.29Å; L194-F199 WeakPolarHBondContact O-CB 3.15Å; L194-F199 PolarHBondContact O-N 3.43Å; Q197-F199 VanDerWaalsContact C-N 3.3Å; F199-T227 HydrophobicContact CD2-CG2 4.26Å; F199-T227 HydrophobicContact CE2-CG2 3.67Å; F199-T227 HydrophobicContact CZ-CG2 4.31Å; F199-N261 HydrophobicContact CD1-CB 4.22Å; F199-N261 HydrophobicContact CE1-CB 3.46Å; F199-N261 VanDerWaalsContact CE1-CB 3.46Å; F199-N261 VanDerWaalsContact CE1-CG 3.43Å; F199-N261 WeakPolarHBondContact CE1-OD1 3.4Å; F199-N261 HydrophobicContact CZ-CB 3.82Å; F199-N261 VanDerWaalsContact CZ-CG 3.46Å
200	Y	98	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.9	-179.9	-56.2	-69.1	0	0	0	113.3	W191 L194 A195 G198 G202 T203 N261 F263 I338	W191-Y200 AromaticContact CD1-CE2 3.93Å; W191-Y200 AromaticContact CD1-CZ 3.73Å; W191-Y200 VanDerWaalsContact CD1-OH 3.26Å; W191-Y200 HydrophobicContact CD2-CE2 4.48Å; W191-Y200 HydrophobicContact CG-CE2 4.34Å; W191-Y200 AromaticContact NE1-CE2 3.81Å; W191-Y200 AromaticContact NE1-CZ 3.8Å; L194-Y200 HydrophobicContact CB-CE2 3.74Å; A195-Y200 HydrophobicContact CB-CD2 4Å; A195-Y200 HydrophobicContact CB-CE2 4.23Å; G198-Y200 PolarHBondContact O-N 2.86Å; Y200-G202 PolarHBondContact O-N 3.06Å; Y200-T203 WeakPolarHBondContact O-CB 3.25Å; Y200-T203 PolarHBondContact O-N 3.34Å; Y200-T203 VanDerWaalsContact O-N 3.1Å; Y200-T203 PolarHBondContact O-OG1 3.14Å; Y200-N261 HydrophobicContact CE1-CB 4.4Å; Y200-N261 VanDerWaalsContact CE1-O 3.31Å; Y200-N261 WeakPolarHBondContact CE1-O 3.49Å; Y200-N261 PolarHBondContact OH-O 3.34Å; Y200-N261 VanDerWaalsContact OH-O 3.04Å; Y200-F263 HydrophobicContact CD1-CD1 4.34Å; Y200-F263 AromaticContact CD1-CE1 3.86Å; Y200-F263 HydrophobicContact CD1-CE1 3.86Å; Y200-F263 AromaticContact CE1-CD1 3.87Å; Y200-F263 HydrophobicContact CE1-CD1 3.87Å; Y200-F263 AromaticContact CE1-CE1 3.87Å; Y200-F263 HydrophobicContact CE1-CE1 3.87Å; Y200-F263 HydrophobicContact CG-CE1 4.45Å; Y200-I338 HydrophobicContact CD2-CD1 3.73Å; Y200-I338 HydrophobicContact CG-CD1 4.04Å
201	D	97.9	Very high	97.8	Very high	63 Å²	63	47.3 Å²	47.3	34%	0.337	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	128.7	-174.8	-64.9	-8.1	0	0	0	109.6	G198 T203 R337 I338	G198-D201 WeakPolarHBondContact O-CB 3.42Å; G198-D201 PolarHBondContact O-N 3.2Å; D201-T203 VanDerWaalsContact C-N 3.26Å; D201-T203 PolarHBondContact O-N 3.12Å; D201-R337 WeakPolarHBondContact OD1-CA 3.3Å; D201-I338 PolarHBondContact OD1-N 2.62Å
202	G	97.5	Very high	97.8	Very high	41 Å²	41	50.7 Å²	50.7	42%	0.423	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-3.1	-174.8	0	0	0	0	0	115.3	Y200 I335	Y200-G202 PolarHBondContact O-N 3.06Å; G202-I335 WeakPolarHBondContact CA-O 3.4Å; G202-I335 PolarHBondContact N-O 2.85Å
203	T	97.4	Very high	97.8	Very high	35 Å²	35	47.7 Å²	47.7	22%	0.215	25%	0.252	C	S	.	.			trans	-86.7	144.5	178.7	71.4	0	0	0	0	111.7	Y200 D201 K334 I335	Y200-T203 WeakPolarHBondContact O-CB 3.25Å; Y200-T203 PolarHBondContact O-N 3.34Å; Y200-T203 VanDerWaalsContact O-N 3.1Å; Y200-T203 PolarHBondContact O-OG1 3.14Å; D201-T203 VanDerWaalsContact C-N 3.26Å; D201-T203 PolarHBondContact O-N 3.12Å; T203-K334 WeakPolarHBondContact O-CA 3.5Å; T203-I335 PolarHBondContact O-N 3.27Å
204	P	97.5	Very high	97.9	Very high	41 Å²	41	46.8 Å²	46.8	27%	0.266	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-79.8	160.6	177	32.6	-33.7	0	0	0	112.7	A206 P332 I333 K334	P204-A206 HydrophobicContact CG-CB 4.22Å; P204-A206 PolarHBondContact O-N 2.84Å; P204-P332 HydrophobicContact CB-CB 3.57Å; P204-P332 HydrophobicContact CG-CB 4.46Å; P204-I333 WeakPolarHBondContact CA-O 3.18Å; P204-K334 HydrophobicContact CB-CG 4.44Å
205	F	98.1	Very high	97.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.			trans	-68.3	90.2	148.5	-71	-79.7	0	0	0	107.9	T170 I175 R207 V208 I214 Q215 F263 I265 I318 P329 I333 I335	T170-F205 HydrophobicContact CG2-CE2 3.98Å; I175-F205 HydrophobicContact CD1-CZ 4.43Å; F205-R207 VanDerWaalsContact C-N 3.26Å; F205-R207 PolarHBondContact O-N 3.06Å; F205-V208 HydrophobicContact CB-CG1 4.29Å; F205-I214 HydrophobicContact CD1-CB 4.09Å; F205-I214 HydrophobicContact CD1-CD1 4.01Å; F205-I214 HydrophobicContact CD1-CG1 4.01Å; F205-I214 HydrophobicContact CD2-CD1 4.5Å; F205-I214 HydrophobicContact CE1-CD1 3.85Å; F205-I214 HydrophobicContact CE1-CG1 4.06Å; F205-I214 HydrophobicContact CE2-CD1 4.35Å; F205-I214 HydrophobicContact CG-CB 4.46Å; F205-I214 HydrophobicContact CG-CD1 4.33Å; F205-I214 HydrophobicContact CZ-CD1 4.03Å; F205-Q215 CarbonylContact C-O 3.55Å; F205-Q215 VanDerWaalsContact C-O 3.25Å; F205-Q215 VanDerWaalsContact CA-O 3.25Å; F205-Q215 WeakPolarHBondContact CA-O 3.43Å; F205-F263 AromaticContact CE1-CE2 3.99Å; F205-F263 HydrophobicContact CE1-CE2 3.99Å; F205-F263 HydrophobicContact CE1-CZ 4.01Å; F205-F263 HydrophobicContact CZ-CZ 4.47Å; F205-I265 HydrophobicContact CE1-CD1 4.48Å; F205-I265 HydrophobicContact CZ-CD1 4.48Å; F205-I318 HydrophobicContact CB-CG2 3.95Å; F205-I318 HydrophobicContact CD2-CD1 3.85Å; F205-I318 HydrophobicContact CD2-CG2 4.04Å; F205-I318 HydrophobicContact CE2-CD1 3.78Å; F205-I318 HydrophobicContact CG-CG2 4.1Å; F205-P329 WeakPolarHBondContact O-CG 3.43Å; F205-I333 PolarHBondContact N-O 3.11Å; F205-I333 VanDerWaalsContact N-O 3.1Å; F205-I335 HydrophobicContact CD2-CG1 4.46Å; F205-I335 HydrophobicContact CE2-CD1 4.44Å; F205-I335 HydrophobicContact CE2-CG1 3.95Å; F205-I335 HydrophobicContact CZ-CD1 4.31Å; F205-I335 HydrophobicContact CZ-CG1 4.25Å
206	A	97.2	Very high	97.8	Very high	25 Å²	25	47.4 Å²	47.4	21%	0.207	25%	0.245	C	C	.	.			trans	-72.1	-17.2	-168.5	0	0	0	0	0	114	P204 Q215 L219 A328	P204-A206 HydrophobicContact CG-CB 4.22Å; P204-A206 PolarHBondContact O-N 2.84Å; A206-Q215 PolarHBondContact N-O 2.96Å; A206-L219 HydrophobicContact CB-CB 3.72Å; A206-L219 HydrophobicContact CB-CD1 4.04Å; A206-A328 WeakPolarHBondContact O-CA 3.47Å; A206-A328 WeakPolarHBondContact O-CB 3.32Å
207	R	97.9	Very high	97.8	Very high	92 Å²	92	41.5 Å²	41.5	35%	0.347	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.9	173.2	175.4	179.5	-63.6	159	-1.6	110.1	F205 I209 Q215 D327	F205-R207 VanDerWaalsContact C-N 3.26Å; F205-R207 PolarHBondContact O-N 3.06Å; R207-I209 HydrophobicContact CG-CD1 4.36Å; R207-I209 HydrophobicContact CG-CG1 4.3Å; R207-Q215 HydrophobicContact CB-CB 4.18Å; R207-Q215 PolarHBondContact N-O 3.49Å; R207-Q215 PolarHBondContact O-N 2.69Å; R207-D327 CarbonylContact C-O 3.54Å; R207-D327 WeakPolarHBondContact CA-O 3.33Å; R207-D327 HydrophobicContact CG-CB 3.76Å
208	V	98.3	Very high	97.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.1	177.9	-56.5	0	0	0	0	109.8	F205 I214 I318 Q321 T323 D327 P329	F205-V208 HydrophobicContact CB-CG1 4.29Å; V208-I214 HydrophobicContact CB-CG2 4.23Å; V208-I214 HydrophobicContact CG1-CB 4.28Å; V208-I214 HydrophobicContact CG1-CG2 3.96Å; V208-I318 HydrophobicContact CG1-CG2 3.85Å; V208-Q321 HydrophobicContact CG2-CB 4.37Å; V208-T323 HydrophobicContact CG2-CG2 3.37Å; V208-T323 WeakPolarHBondContact O-CG2 3.36Å; V208-D327 PolarHBondContact N-O 3.24Å; V208-P329 HydrophobicContact CG1-CG 4.26Å; V208-P329 HydrophobicContact CG2-CB 3.94Å; V208-P329 HydrophobicContact CG2-CG 4.23Å
209	I	98	Very high	97.4	Very high	46 Å²	46	36.1 Å²	36.1	24%	0.236	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	109	178.7	-58	171.1	0	0	0	106.6	R207 F212 V213 D327	R207-I209 HydrophobicContact CG-CD1 4.36Å; R207-I209 HydrophobicContact CG-CG1 4.3Å; I209-F212 HydrophobicContact CB-CB 3.98Å; I209-F212 HydrophobicContact CB-CD1 4.14Å; I209-F212 HydrophobicContact CD1-CD1 3.93Å; I209-F212 HydrophobicContact CD1-CE1 4.43Å; I209-F212 HydrophobicContact CG2-CB 3.68Å; I209-F212 HydrophobicContact CG2-CD1 4.21Å; I209-F212 HydrophobicContact CG2-CG 4.37Å; I209-F212 CarbonylContact O-C 3.54Å; I209-F212 PolarHBondContact O-N 2.62Å; I209-V213 PolarHBondContact N-O 3.46Å; I209-V213 PolarHBondContact O-N 3.24Å; I209-D327 HydrophobicContact CD1-CB 4.22Å; I209-D327 HydrophobicContact CG1-CB 3.75Å
210	K	97.4	Very high	97	Very high	141 Å²	141	39.3 Å²	39.3	61%	0.613	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	138.6	177.7	-175.3	-176	173.8	-173.8	0	110.7	F212	K210-F212 PolarHBondContact O-N 2.98Å
211	D	97.2	Very high	96.4	Very high	56 Å²	56	42.4 Å²	42.4	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	22.6	-177.7	-60.8	-58.3	0	0	0	113.2	E267 R268 H270	D211-E267 CarbonylContact C-O 3.58Å; D211-E267 WeakPolarHBondContact CA-O 3.5Å; D211-E267 PolarHBondContact N-O 3.18Å; D211-E267 PolarHBondContact N-OE2 2.79Å; D211-E267 VanDerWaalsContact N-OE2 3.14Å; D211-R268 HydrophobicContact CB-CG 4.41Å; D211-R268 WeakPolarHBondContact O-CD 3.45Å; D211-R268 VanDerWaalsContact O-CG 3.28Å; D211-R268 WeakPolarHBondContact O-CG 3.38Å; D211-H270 IonicContact OD1-CE1 3.92Å; D211-H270 PolarHBondContact OD1-CE1 3.13Å; D211-H270 VanDerWaalsContact OD1-CE1 3.28Å; D211-H270 IonicContact OD1-ND1 3.56Å
212	F	98	Very high	96	Very high	72 Å²	72	42 Å²	42	32%	0.316	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.9	-85.2	173.6	-169.9	-123.7	0	0	0	111.2	I209 K210 E267 I295 L298	I209-F212 HydrophobicContact CB-CB 3.98Å; I209-F212 HydrophobicContact CB-CD1 4.14Å; I209-F212 HydrophobicContact CD1-CD1 3.93Å; I209-F212 HydrophobicContact CD1-CE1 4.43Å; I209-F212 HydrophobicContact CG2-CB 3.68Å; I209-F212 HydrophobicContact CG2-CD1 4.21Å; I209-F212 HydrophobicContact CG2-CG 4.37Å; I209-F212 CarbonylContact O-C 3.54Å; I209-F212 PolarHBondContact O-N 2.62Å; K210-F212 PolarHBondContact O-N 2.98Å; F212-E267 CarbonylContact C-O 3.59Å; F212-E267 PolarHBondContact N-O 3.14Å; F212-E267 PolarHBondContact O-N 2.92Å; F212-I295 HydrophobicContact CD2-CD1 3.34Å; F212-I295 HydrophobicContact CD2-CG1 4.09Å; F212-I295 HydrophobicContact CD2-CG2 4.3Å; F212-I295 HydrophobicContact CE2-CD1 3.62Å; F212-I295 HydrophobicContact CE2-CG1 4.4Å; F212-I295 HydrophobicContact CE2-CG2 3.92Å; F212-I295 HydrophobicContact CG-CD1 4.13Å; F212-I295 VanDerWaalsContact O-CD1 3.31Å; F212-I295 WeakPolarHBondContact O-CD1 3.4Å; F212-L298 HydrophobicContact CE2-CD1 4.23Å; F212-L298 HydrophobicContact CZ-CD1 4.35Å
213	V	98.6	Very high	95.6	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.5	-173.8	-54.9	0	0	0	0	113.6	I209 Y264 I265 I295	I209-V213 PolarHBondContact N-O 3.46Å; I209-V213 PolarHBondContact O-N 3.24Å; V213-Y264 HydrophobicContact CB-CD2 4.1Å; V213-Y264 HydrophobicContact CB-CG 4.34Å; V213-Y264 HydrophobicContact CG1-CD2 3.52Å; V213-Y264 HydrophobicContact CG1-CE2 4.04Å; V213-Y264 HydrophobicContact CG1-CG 4.15Å; V213-I265 VanDerWaalsContact CA-O 3.29Å; V213-I265 WeakPolarHBondContact CA-O 3.47Å; V213-I295 HydrophobicContact CG1-CD1 3.8Å
214	I	98.7	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.1	157	63.3	172.6	0	0	0	108.7	F205 V208 Y264 I265 V315 I318 A319	F205-I214 HydrophobicContact CD1-CB 4.09Å; F205-I214 HydrophobicContact CD1-CD1 4.01Å; F205-I214 HydrophobicContact CD1-CG1 4.01Å; F205-I214 HydrophobicContact CD2-CD1 4.5Å; F205-I214 HydrophobicContact CE1-CD1 3.85Å; F205-I214 HydrophobicContact CE1-CG1 4.06Å; F205-I214 HydrophobicContact CE2-CD1 4.35Å; F205-I214 HydrophobicContact CG-CB 4.46Å; F205-I214 HydrophobicContact CG-CD1 4.33Å; F205-I214 HydrophobicContact CZ-CD1 4.03Å; V208-I214 HydrophobicContact CB-CG2 4.23Å; V208-I214 HydrophobicContact CG1-CB 4.28Å; V208-I214 HydrophobicContact CG1-CG2 3.96Å; I214-Y264 CarbonylContact O-C 3.48Å; I214-Y264 WeakPolarHBondContact O-CA 3.48Å; I214-Y264 WeakPolarHBondContact O-CB 3.21Å; I214-I265 HydrophobicContact CD1-CB 4.36Å; I214-I265 HydrophobicContact CD1-CD1 4.28Å; I214-I265 HydrophobicContact CG1-CB 3.84Å; I214-I265 HydrophobicContact CG1-CG1 4.39Å; I214-I265 PolarHBondContact N-O 3.13Å; I214-I265 PolarHBondContact O-N 3.33Å; I214-V315 HydrophobicContact CD1-CB 4.29Å; I214-V315 HydrophobicContact CD1-CG1 3.83Å; I214-V315 HydrophobicContact CD1-CG2 4.35Å; I214-V315 HydrophobicContact CG1-CG1 4.19Å; I214-I318 HydrophobicContact CB-CG2 4.12Å; I214-I318 HydrophobicContact CD1-CB 4.14Å; I214-I318 HydrophobicContact CD1-CD1 4.07Å; I214-I318 HydrophobicContact CD1-CG2 3.98Å; I214-I318 HydrophobicContact CG2-CB 4.25Å; I214-I318 HydrophobicContact CG2-CG2 3.78Å; I214-A319 HydrophobicContact CG2-CB 3.66Å
215	Q	98.6	Very high	95.4	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.7	-170.4	-170.3	-177.6	-4.9	0	0	111.2	F205 A206 R207 L219 Q262 F263	F205-Q215 CarbonylContact C-O 3.55Å; F205-Q215 VanDerWaalsContact C-O 3.25Å; F205-Q215 VanDerWaalsContact CA-O 3.25Å; F205-Q215 WeakPolarHBondContact CA-O 3.43Å; A206-Q215 PolarHBondContact N-O 2.96Å; R207-Q215 HydrophobicContact CB-CB 4.18Å; R207-Q215 PolarHBondContact N-O 3.49Å; R207-Q215 PolarHBondContact O-N 2.69Å; Q215-L219 HydrophobicContact CB-CD1 4.47Å; Q215-L219 HydrophobicContact CG-CD1 3.84Å; Q215-Q262 VanDerWaalsContact NE2-OE1 3.13Å; Q215-F263 WeakPolarHBondContact CA-O 3.33Å; Q215-F263 WeakPolarHBondContact CG-O 3.11Å
216	G	97.9	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	176.9	176.6	0	0	0	0	0	112.4	Q262 F263	G216-Q262 WeakPolarHBondContact O-CA 3.43Å; G216-F263 PolarHBondContact N-O 2.93Å; G216-F263 PolarHBondContact O-N 2.95Å
217	G	97	Very high	95.4	Very high	9 Å²	9	47.4 Å²	47.4	9%	0.093	28%	0.275	C	S	.	.	S	Bend	trans	101.5	-169.4	-170.5	0	0	0	0	0	112.2	L219 N261	G217-L219 PolarHBondContact O-N 2.89Å; G217-N261 WeakPolarHBondContact CA-OD1 3.27Å
218	A	95.2	Very high	95.4	Very high	9 Å²	9	43.6 Å²	43.6	7%	0.074	26%	0.263	C	S	.	.	S	Bend	trans	-69.2	97.9	-179.8	0	0	0	0	0	110.1	D224 E225 N261 Q262	A218-D224 HydrophobicContact CB-CB 4.13Å; A218-E225 WeakPolarHBondContact O-CG 3.28Å; A218-N261 WeakPolarHBondContact CB-OD1 3.46Å; A218-N261 PolarHBondContact N-OD1 2.76Å; A218-Q262 PolarHBondContact O-NE2 3.35Å
219	L	92.4	Very high	95.4	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.236	28%	0.276	C	S	.	.			trans	-127.8	13.9	173.6	-75	134	0	0	0	110.7	A206 Q215 G217 Q262	A206-L219 HydrophobicContact CB-CB 3.72Å; A206-L219 HydrophobicContact CB-CD1 4.04Å; Q215-L219 HydrophobicContact CB-CD1 4.47Å; Q215-L219 HydrophobicContact CG-CD1 3.84Å; G217-L219 PolarHBondContact O-N 2.89Å; L219-Q262 HydrophobicContact CG-CG 4.42Å
220	D	87.9	Confident	95.4	Very high	127 Å²	127	48.3 Å²	48.3	68%	0.679	28%	0.282	S	S	*	.	S	Bend	trans	-92	3.1	-173.3	63.8	-13.2	0	0	0	113.4	S222	D220-S222 VanDerWaalsContact C-N 3.29Å; D220-S222 PolarHBondContact O-N 2.96Å; D220-S222 WeakPolarHBondContact OD1-CB 3.3Å; D220-S222 PolarHBondContact OD1-N 3.19Å; D220-S222 VanDerWaalsContact OD1-N 3.14Å; D220-S222 PolarHBondContact OD1-OG 3.34Å
221	G	86	Confident	95.4	Very high	65 Å²	65	45.3 Å²	45.3	67%	0.67	29%	0.29	S	S	*	.	S	Bend	trans	75.5	14.3	-178.1	0	0	0	0	0	114.3	G223	G221-G223 PolarHBondContact O-N 2.91Å
222	S	88.7	Confident	95.4	Very high	56 Å²	56	43.5 Å²	43.5	39%	0.392	29%	0.285	S	S	.	.	S	Bend	trans	-63.4	-24.5	176.5	52.4	0	0	0	0	114.1	D220 D224	D220-S222 VanDerWaalsContact C-N 3.29Å; D220-S222 PolarHBondContact O-N 2.96Å; D220-S222 WeakPolarHBondContact OD1-CB 3.3Å; D220-S222 PolarHBondContact OD1-N 3.19Å; D220-S222 VanDerWaalsContact OD1-N 3.14Å; D220-S222 PolarHBondContact OD1-OG 3.34Å; S222-D224 VanDerWaalsContact C-N 3.3Å; S222-D224 WeakPolarHBondContact OG-CB 3.17Å; S222-D224 PolarHBondContact OG-N 3.22Å
223	G	89.3	Confident	95.4	Very high	50 Å²	50	44.9 Å²	44.9	52%	0.515	29%	0.289	S	S	.	.	S	Bend	trans	84.3	4.9	-168.1	0	0	0	0	0	113.5	G221 E225	G221-G223 PolarHBondContact O-N 2.91Å; G223-E225 VanDerWaalsContact C-N 3.27Å; G223-E225 WeakPolarHBondContact CA-OE2 3.21Å; G223-E225 PolarHBondContact O-N 3.29Å
224	D	95.3	Very high	95.4	Very high	85 Å²	85	45.2 Å²	45.2	46%	0.455	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-84.7	9.5	-177.7	-71	-28.2	0	0	0	113.2	A218 S222 A226 T227 N261	A218-D224 HydrophobicContact CB-CB 4.13Å; S222-D224 VanDerWaalsContact C-N 3.3Å; S222-D224 WeakPolarHBondContact OG-CB 3.17Å; S222-D224 PolarHBondContact OG-N 3.22Å; D224-A226 PolarHBondContact O-N 3.27Å; D224-A226 VanDerWaalsContact O-N 3.15Å; D224-T227 WeakPolarHBondContact O-CB 3.16Å; D224-T227 PolarHBondContact O-N 2.87Å; D224-T227 PolarHBondContact O-OG1 2.83Å; D224-N261 PolarHBondContact O-ND2 2.75Å
225	E	96.2	Very high	95.3	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.187	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.5	-34.1	-175.4	-60.7	86.6	169.7	0	0	112.5	A218 G223 T227 G260 N261	A218-E225 WeakPolarHBondContact O-CG 3.28Å; G223-E225 VanDerWaalsContact C-N 3.27Å; G223-E225 WeakPolarHBondContact CA-OE2 3.21Å; G223-E225 PolarHBondContact O-N 3.29Å; E225-T227 VanDerWaalsContact C-N 3.26Å; E225-T227 PolarHBondContact O-N 3.21Å; E225-G260 WeakPolarHBondContact O-CA 3.44Å; E225-N261 PolarHBondContact O-N 2.84Å; E225-N261 PolarHBondContact O-ND2 3.21Å; E225-N261 VanDerWaalsContact O-ND2 3.13Å
226	A	97	Very high	95.2	Very high	30 Å²	30	49.4 Å²	49.4	25%	0.248	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-77.9	-5.7	178	0	0	0	0	0	113.9	D224 S228 G232 Y233	D224-A226 PolarHBondContact O-N 3.27Å; D224-A226 VanDerWaalsContact O-N 3.15Å; A226-S228 PolarHBondContact O-N 3.3Å; A226-S228 VanDerWaalsContact O-N 3.13Å; A226-G232 CarbonylContact O-C 3.12Å; A226-G232 WeakPolarHBondContact O-CA 3.35Å; A226-Y233 VanDerWaalsContact CA-CE1 3.49Å; A226-Y233 HydrophobicContact CB-CD1 3.96Å; A226-Y233 HydrophobicContact CB-CD2 3.99Å; A226-Y233 HydrophobicContact CB-CE1 3.77Å; A226-Y233 HydrophobicContact CB-CE2 3.79Å; A226-Y233 HydrophobicContact CB-CG 4.07Å
227	T	97.8	Very high	95.1	Very high	50 Å²	50	51 Å²	51	31%	0.307	32%	0.318	S	S	.	.			trans	-59.3	120.5	179.6	-63.3	0	0	0	0	109.8	L194 F199 D224 E225 G260 N261	L194-T227 HydrophobicContact CD2-CG2 4.31Å; F199-T227 HydrophobicContact CD2-CG2 4.26Å; F199-T227 HydrophobicContact CE2-CG2 3.67Å; F199-T227 HydrophobicContact CZ-CG2 4.31Å; D224-T227 WeakPolarHBondContact O-CB 3.16Å; D224-T227 PolarHBondContact O-N 2.87Å; D224-T227 PolarHBondContact O-OG1 2.83Å; E225-T227 VanDerWaalsContact C-N 3.26Å; E225-T227 PolarHBondContact O-N 3.21Å; T227-G260 CarbonylContact O-C 3.53Å; T227-N261 WeakPolarHBondContact O-CB 3.14Å; T227-N261 PolarHBondContact O-N 3.42Å; T227-N261 PolarHBondContact O-ND2 2.66Å
228	S	98.3	Very high	94.7	Very high	12 Å²	12	53.1 Å²	53.1	8%	0.084	33%	0.329	C	S	.	.			trans	-149.6	163.9	178	85.1	0	0	0	0	108.8	N190 A226 Y230 G231 G232	N190-S228 VanDerWaalsContact OD1-CA 3.27Å; N190-S228 WeakPolarHBondContact OD1-CA 3.28Å; N190-S228 VanDerWaalsContact OD1-CB 3.25Å; N190-S228 WeakPolarHBondContact OD1-CB 3.38Å; A226-S228 PolarHBondContact O-N 3.3Å; A226-S228 VanDerWaalsContact O-N 3.13Å; S228-Y230 PolarHBondContact O-N 3.48Å; S228-Y230 PolarHBondContact OG-N 2.77Å; S228-G231 PolarHBondContact O-N 3.4Å; S228-G231 VanDerWaalsContact O-N 3.13Å; S228-G231 PolarHBondContact OG-N 3.16Å; S228-G232 VanDerWaalsContact CB-O 3.28Å; S228-G232 WeakPolarHBondContact CB-O 3.49Å; S228-G232 PolarHBondContact OG-N 3.09Å; S228-G232 PolarHBondContact OG-O 3.04Å
229	I	98	Very high	93.4	Very high	56 Å²	56	59.4 Å²	59.4	29%	0.287	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9	173.8	70	169.3	0	0	0	113.3	K189 N190 L194	K189-I229 HydrophobicContact CB-CD1 4.36Å; K189-I229 HydrophobicContact CD-CD1 4.08Å; K189-I229 HydrophobicContact CG-CD1 3.66Å; K189-I229 WeakPolarHBondContact O-CD1 3.48Å; N190-I229 HydrophobicContact CB-CD1 4.42Å; N190-I229 HydrophobicContact CB-CG1 4.15Å; N190-I229 PolarHBondContact OD1-N 2.75Å; L194-I229 HydrophobicContact CD2-CG2 4.35Å; L194-I229 HydrophobicContact CG-CG2 4.23Å
230	Y	98.1	Very high	92.2	Very high	92 Å²	92	65.9 Å²	65.9	36%	0.361	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-1	179.8	-51.7	-63.1	0	0	0	112.6	K186 K189 N190 S228 F234	K186-Y230 WeakPolarHBondContact CA-OH 3.38Å; K186-Y230 HydrophobicContact CB-CE2 4.34Å; K186-Y230 PolarHBondContact O-OH 2.89Å; K186-Y230 VanDerWaalsContact O-OH 3.06Å; K189-Y230 HydrophobicContact CD-CE1 4.43Å; N190-Y230 HydrophobicContact CB-CD2 4.5Å; N190-Y230 HydrophobicContact CB-CE2 3.84Å; S228-Y230 PolarHBondContact O-N 3.48Å; S228-Y230 PolarHBondContact OG-N 2.77Å; Y230-F234 HydrophobicContact CD2-CB 4.03Å; Y230-F234 AromaticContact CD2-CD1 3.84Å; Y230-F234 HydrophobicContact CD2-CD1 3.84Å; Y230-F234 HydrophobicContact CD2-CE1 4.46Å; Y230-F234 AromaticContact CD2-CG 3.87Å; Y230-F234 HydrophobicContact CD2-CG 3.87Å; Y230-F234 HydrophobicContact CE2-CD1 4.24Å; Y230-F234 HydrophobicContact CE2-CD2 4.31Å; Y230-F234 HydrophobicContact CE2-CG 4.11Å
231	G	96.8	Very high	91.9	Very high	77 Å²	77	61 Å²	61	79%	0.794	37%	0.37	S	S	*	.	S	Bend	trans	82.8	23.4	177.4	0	0	0	0	0	114.8	S228	S228-G231 PolarHBondContact O-N 3.4Å; S228-G231 VanDerWaalsContact O-N 3.13Å; S228-G231 PolarHBondContact OG-N 3.16Å
232	G	97.3	Very high	92.2	Very high	19 Å²	19	58.9 Å²	58.9	20%	0.196	34%	0.343	C	S	.	.	S	Bend	trans	160.1	-169.9	179.2	0	0	0	0	0	112.3	A226 S228	A226-G232 CarbonylContact O-C 3.12Å; A226-G232 WeakPolarHBondContact O-CA 3.35Å; S228-G232 VanDerWaalsContact CB-O 3.28Å; S228-G232 WeakPolarHBondContact CB-O 3.49Å; S228-G232 PolarHBondContact OG-N 3.09Å; S228-G232 PolarHBondContact OG-O 3.04Å
233	Y	98.2	Very high	92.5	Very high	100 Å²	100	57.3 Å²	57.3	39%	0.392	33%	0.329	S	S	.	.			trans	-59.8	148.2	174.2	-68.2	-52.6	0	0	0	112.8	A226 H254 T258 N259	A226-Y233 VanDerWaalsContact CA-CE1 3.49Å; A226-Y233 HydrophobicContact CB-CD1 3.96Å; A226-Y233 HydrophobicContact CB-CD2 3.99Å; A226-Y233 HydrophobicContact CB-CE1 3.77Å; A226-Y233 HydrophobicContact CB-CE2 3.79Å; A226-Y233 HydrophobicContact CB-CG 4.07Å; Y233-H254 AromaticContact CZ-CD2 3.97Å; Y233-H254 PolarHBondContact OH-CD2 3.3Å; Y233-T258 VanDerWaalsContact CD1-C 3.43Å; Y233-T258 WeakPolarHBondContact CD1-O 3.31Å; Y233-T258 HydrophobicContact CD2-CG2 4.47Å; Y233-T258 WeakPolarHBondContact CE1-O 3.37Å; Y233-N259 CarbonylContact C-O 3.45Å; Y233-N259 VanDerWaalsContact CA-O 3.23Å; Y233-N259 WeakPolarHBondContact CA-O 3.38Å
234	F	98.2	Very high	92.8	Very high	12 Å²	12	55 Å²	55	5%	0.053	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-133.3	167.7	176.3	65.3	-83.6	0	0	0	112.4	K186 N190 Y230 L251 N257 N259	K186-F234 HydrophobicContact CB-CD2 4.33Å; K186-F234 HydrophobicContact CB-CE2 4.41Å; N190-F234 HydrophobicContact CB-CE1 4.02Å; N190-F234 HydrophobicContact CB-CZ 3.89Å; N190-F234 VanDerWaalsContact ND2-CE1 3.34Å; N190-F234 WeakPolarHBondContact ND2-CE1 3.28Å; Y230-F234 HydrophobicContact CD2-CB 4.03Å; Y230-F234 AromaticContact CD2-CD1 3.84Å; Y230-F234 HydrophobicContact CD2-CD1 3.84Å; Y230-F234 HydrophobicContact CD2-CE1 4.46Å; Y230-F234 AromaticContact CD2-CG 3.87Å; Y230-F234 HydrophobicContact CD2-CG 3.87Å; Y230-F234 HydrophobicContact CE2-CD1 4.24Å; Y230-F234 HydrophobicContact CE2-CD2 4.31Å; Y230-F234 HydrophobicContact CE2-CG 4.11Å; F234-L251 HydrophobicContact CE2-CD1 3.84Å; F234-L251 HydrophobicContact CZ-CD1 3.57Å; F234-N257 CarbonylContact O-C 3.1Å; F234-N259 HydrophobicContact CD1-CB 3.99Å; F234-N259 WeakPolarHBondContact CD1-O 3.5Å; F234-N259 HydrophobicContact CD2-CB 3.94Å; F234-N259 HydrophobicContact CE1-CB 3.68Å; F234-N259 VanDerWaalsContact CE1-O 3.24Å; F234-N259 WeakPolarHBondContact CE1-O 3.39Å; F234-N259 HydrophobicContact CE2-CB 3.64Å; F234-N259 HydrophobicContact CG-CB 4.11Å; F234-N259 HydrophobicContact CZ-CB 3.5Å; F234-N259 PolarHBondContact N-O 3.29Å; F234-N259 WeakPolarHBondContact O-CB 3.25Å; F234-N259 PolarHBondContact O-N 3.2Å; F234-N259 VanDerWaalsContact O-N 3.09Å
235	E	97.2	Very high	92.9	Very high	76 Å²	76	51 Å²	51	36%	0.355	28%	0.283	S	S	.	.			trans	-72.4	161.8	-171.3	67.5	-74.2	112.4	0	0	114.3	K186 N257 N259	K186-E235 WeakPolarHBondContact CD-OE1 3.44Å; K186-E235 VanDerWaalsContact CE-OE1 3.29Å; K186-E235 WeakPolarHBondContact CE-OE1 3.26Å; K186-E235 IonicContact NZ-OE1 2.69Å; K186-E235 PolarHBondContact NZ-OE1 2.81Å; K186-E235 IonicContact NZ-OE2 3.82Å; K186-E235 PolarHBondContact NZ-OE2 3.42Å; E235-N257 WeakPolarHBondContact CA-OD1 3.39Å; E235-N257 HydrophobicContact CB-CB 4.2Å; E235-N257 WeakPolarHBondContact CB-OD1 3.49Å; E235-N259 PolarHBondContact O-ND2 2.85Å
236	D	97.2	Very high	93	Very high	28 Å²	28	50 Å²	50	15%	0.15	28%	0.279	C	S	.	.			trans	-76	145.7	175.1	-69.3	-47.1	0	0	0	112.4	V238 N253 P256 N257 N259 T303	D236-V238 HydrophobicContact CB-CG1 3.93Å; D236-V238 HydrophobicContact CB-CG2 4.38Å; D236-N253 PolarHBondContact OD1-ND2 2.87Å; D236-P256 WeakPolarHBondContact OD2-CA 3.25Å; D236-N257 PolarHBondContact N-OD1 3.36Å; D236-N257 PolarHBondContact OD2-N 2.81Å; D236-N259 WeakPolarHBondContact CA-ND2 3.4Å; D236-N259 PolarHBondContact N-ND2 3.47Å; D236-N259 PolarHBondContact OD1-ND2 3.36Å; D236-N259 PolarHBondContact OD1-OD1 2.82Å; D236-T303 WeakPolarHBondContact CA-OG1 3.35Å
237	E	95.9	Very high	93	Very high	32 Å²	32	48.6 Å²	48.6	15%	0.15	27%	0.268	C	S	.	.			trans	-116.7	70.5	170.6	-59.7	177.6	125	0	0	108.4	A184 P185 K186 A187 T303	A184-E237 VanDerWaalsContact CA-OE2 3.28Å; A184-E237 WeakPolarHBondContact CA-OE2 3.5Å; A184-E237 HydrophobicContact CB-CB 4.41Å; P185-E237 WeakPolarHBondContact CD-OE1 3.49Å; P185-E237 VanDerWaalsContact CG-OE1 3.23Å; P185-E237 WeakPolarHBondContact CG-OE1 3.38Å; K186-E237 WeakPolarHBondContact CB-OE1 3.36Å; K186-E237 WeakPolarHBondContact CG-OE1 3.47Å; K186-E237 VanDerWaalsContact N-CD 3.33Å; K186-E237 PolarHBondContact N-OE1 3.31Å; K186-E237 PolarHBondContact N-OE2 2.96Å; A187-E237 WeakPolarHBondContact CB-OE2 3.41Å; A187-E237 PolarHBondContact N-OE2 2.92Å; E237-T303 HydrophobicContact CB-CG2 3.79Å; E237-T303 PolarHBondContact N-OG1 2.87Å
238	V	87.8	Confident	93.1	Very high	55 Å²	55	46.2 Å²	46.2	33%	0.333	25%	0.253	S	S	.	.			trans	-97.3	22.6	-171.2	-72	0	0	0	0	114.2	D236	D236-V238 HydrophobicContact CB-CG1 3.93Å; D236-V238 HydrophobicContact CB-CG2 4.38Å
239	D	68.4	Low	93.1	Very high	140 Å²	140	45.7 Å²	45.7	75%	0.749	25%	0.249	S	C	*	.			trans	-65.2	152.2	-174	-77.8	-22	0	0	0	113.3	G241	D239-G241 PolarHBondContact O-N 2.84Å
240	E	66.2	Low	93.1	Very high	182 Å²	182	43 Å²	43	85%	0.85	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	99.8	-176	-61.6	-179.4	-176.3	0	0	111.8
241	G	82.5	Confident	93.1	Very high	23 Å²	23	38.6 Å²	38.6	24%	0.237	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	170	-25.1	175.8	0	0	0	0	0	115.4	D239 Y243	D239-G241 PolarHBondContact O-N 2.84Å; G241-Y243 WeakPolarHBondContact O-CE2 3.37Å
242	L	92.6	Very high	93.1	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.115	18%	0.183	C	C	.	.			trans	-115.5	144.6	175.7	-57	176.9	0	0	0	110.9	L154 Q155 F180 D183 V304	L154-L242 HydrophobicContact CB-CD2 4.45Å; L154-L242 HydrophobicContact CD2-CD2 4.43Å; Q155-L242 HydrophobicContact CG-CD2 3.9Å; F180-L242 HydrophobicContact CB-CD1 4.16Å; F180-L242 HydrophobicContact CD2-CD1 3.76Å; F180-L242 HydrophobicContact CD2-CD2 3.58Å; F180-L242 HydrophobicContact CD2-CG 4.35Å; F180-L242 HydrophobicContact CE2-CD2 3.88Å; F180-L242 HydrophobicContact CG-CD1 4.34Å; F180-L242 HydrophobicContact CG-CD2 4.18Å; D183-L242 HydrophobicContact CB-CD1 3.93Å; D183-L242 HydrophobicContact CB-CG 4.42Å; L242-V304 HydrophobicContact CB-CB 3.7Å; L242-V304 HydrophobicContact CB-CG1 3.92Å; L242-V304 HydrophobicContact CB-CG2 4.39Å; L242-V304 HydrophobicContact CD1-CB 4.34Å; L242-V304 HydrophobicContact CD1-CG1 4.44Å; L242-V304 WeakPolarHBondContact CD1-O 3.34Å
243	Y	94.5	Very high	93	Very high	22 Å²	22	35.3 Å²	35.3	9%	0.086	18%	0.179	C	C	.	.			trans	-137.6	150.2	-165.5	-63	-81.6	0	0	0	110	L153 Q155 G241 F245 A248 L281 V285 Y289 D299	L153-Y243 HydrophobicContact CD2-CE2 3.88Å; Q155-Y243 PolarHBondContact NE2-O 2.85Å; Q155-Y243 PolarHBondContact OE1-O 3.42Å; G241-Y243 WeakPolarHBondContact O-CE2 3.37Å; Y243-F245 HydrophobicContact CD2-CE2 4.1Å; Y243-F245 HydrophobicContact CD2-CZ 4.08Å; Y243-F245 HydrophobicContact CG-CE2 4.23Å; Y243-F245 AromaticContact CG-CZ 4Å; Y243-F245 HydrophobicContact CG-CZ 4Å; Y243-F245 PolarHBondContact O-N 3.01Å; Y243-A248 WeakPolarHBondContact O-CB 3.4Å; Y243-L281 HydrophobicContact CD1-CD2 4.31Å; Y243-L281 HydrophobicContact CE1-CD2 4.02Å; Y243-V285 HydrophobicContact CD1-CG1 3.45Å; Y243-V285 VanDerWaalsContact CD1-CG1 3.45Å; Y243-V285 HydrophobicContact CD2-CG1 4.11Å; Y243-V285 HydrophobicContact CD2-CG2 4.01Å; Y243-V285 HydrophobicContact CE1-CB 4.32Å; Y243-V285 HydrophobicContact CE1-CG1 3.5Å; Y243-V285 HydrophobicContact CE1-CG2 4.03Å; Y243-V285 HydrophobicContact CE2-CB 4.48Å; Y243-V285 HydrophobicContact CE2-CG1 4.17Å; Y243-V285 HydrophobicContact CE2-CG2 3.47Å; Y243-V285 VanDerWaalsContact CE2-CG2 3.47Å; Y243-V285 HydrophobicContact CG-CG1 3.77Å; Y243-V285 VanDerWaalsContact CZ-CG2 3.48Å; Y243-Y289 WeakPolarHBondContact CB-OH 3.5Å; Y243-Y289 HydrophobicContact CD1-CE2 4.33Å; Y243-D299 WeakPolarHBondContact CA-OD1 3.46Å; Y243-D299 WeakPolarHBondContact CD1-OD2 3.49Å
244	H	96	Very high	92.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.184	C	C	.	.			trans	-79.8	48.9	179.5	-67.3	77.3	0	0	0	112.7	C250 Y264 V266 Y289 G294 I295 L298 D299 V304	H244-C250 VanDerWaalsContact CD2-SG 3.56Å; H244-Y264 PolarHBondContact CD2-OH 2.75Å; H244-Y264 PolarHBondContact NE2-OH 3.06Å; H244-V266 HydrophobicContact CB-CG2 4.3Å; H244-Y289 PolarHBondContact N-OH 2.65Å; H244-G294 CarbonylContact O-C 3.25Å; H244-G294 WeakPolarHBondContact O-CA 3.3Å; H244-I295 HydrophobicContact CB-CB 4.34Å; H244-I295 VanDerWaalsContact CB-O 3.25Å; H244-I295 WeakPolarHBondContact CB-O 3.3Å; H244-I295 PolarHBondContact O-N 3.25Å; H244-L298 HydrophobicContact CB-CB 4.42Å; H244-L298 VanDerWaalsContact CE1-C 3.43Å; H244-L298 PolarHBondContact CE1-O 3.02Å; H244-D299 IonicContact CG-OD1 3.57Å; H244-D299 PolarHBondContact N-OD1 3.44Å; H244-D299 PolarHBondContact ND1-N 3.01Å; H244-D299 IonicContact ND1-OD1 3.91Å; H244-D299 PolarHBondContact ND1-OD1 3.39Å; H244-V304 VanDerWaalsContact CE1-CG2 3.49Å; H244-V304 WeakPolarHBondContact CE1-CG2 3.26Å
245	F	96.7	Very high	92.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-60.5	161.7	171.6	-59.7	-47	0	0	0	111.3	Q155 L156 Y243 G247 A248 V266 V285 H288 Y289 V292	Q155-F245 HydrophobicContact CB-CD2 4.22Å; Q155-F245 HydrophobicContact CB-CE2 4.43Å; L156-F245 HydrophobicContact CD2-CD2 3.93Å; L156-F245 HydrophobicContact CD2-CE2 3.65Å; L156-F245 HydrophobicContact CD2-CZ 4.42Å; L156-F245 HydrophobicContact CG-CE2 4.38Å; Y243-F245 HydrophobicContact CD2-CE2 4.1Å; Y243-F245 HydrophobicContact CD2-CZ 4.08Å; Y243-F245 HydrophobicContact CG-CE2 4.23Å; Y243-F245 AromaticContact CG-CZ 4Å; Y243-F245 HydrophobicContact CG-CZ 4Å; Y243-F245 PolarHBondContact O-N 3.01Å; F245-G247 PolarHBondContact O-N 2.67Å; F245-A248 WeakPolarHBondContact O-CB 3.24Å; F245-A248 PolarHBondContact O-N 3.36Å; F245-V266 WeakPolarHBondContact O-CB 3.42Å; F245-V266 WeakPolarHBondContact O-CG1 3.41Å; F245-V285 HydrophobicContact CE1-CG1 4.08Å; F245-V285 HydrophobicContact CZ-CB 4.48Å; F245-V285 HydrophobicContact CZ-CG1 3.91Å; F245-H288 AromaticContact CD1-CD2 3.57Å; F245-H288 AromaticContact CD2-CD2 3.68Å; F245-H288 HydrophobicContact CE1-CB 3.92Å; F245-H288 AromaticContact CE1-CD2 3.62Å; F245-H288 AromaticContact CE2-CD2 3.73Å; F245-H288 AromaticContact CG-CD2 3.6Å; F245-H288 HydrophobicContact CZ-CB 3.95Å; F245-H288 AromaticContact CZ-CD2 3.7Å; F245-Y289 AromaticContact CD1-CD1 3.71Å; F245-Y289 HydrophobicContact CD1-CD1 3.71Å; F245-Y289 HydrophobicContact CD1-CD2 4.06Å; F245-Y289 AromaticContact CD1-CE1 3.55Å; F245-Y289 HydrophobicContact CD1-CE1 3.55Å; F245-Y289 AromaticContact CD1-CE2 3.91Å; F245-Y289 HydrophobicContact CD1-CE2 3.91Å; F245-Y289 AromaticContact CD1-CG 3.94Å; F245-Y289 HydrophobicContact CD1-CG 3.94Å; F245-Y289 AromaticContact CD1-CZ 3.63Å; F245-Y289 HydrophobicContact CE1-CD1 4.07Å; F245-Y289 AromaticContact CE1-CD2 3.55Å; F245-Y289 HydrophobicContact CE1-CD2 3.55Å; F245-Y289 HydrophobicContact CE1-CE1 4.03Å; F245-Y289 AromaticContact CE1-CE2 3.49Å; F245-Y289 HydrophobicContact CE1-CE2 3.49Å; F245-Y289 VanDerWaalsContact CE1-CE2 3.49Å; F245-Y289 AromaticContact CE1-CG 3.82Å; F245-Y289 HydrophobicContact CE1-CG 3.82Å; F245-Y289 AromaticContact CE1-CZ 3.73Å; F245-Y289 HydrophobicContact CZ-CE2 4.42Å; F245-V292 HydrophobicContact CB-CG2 4.15Å; F245-V292 HydrophobicContact CD1-CG2 4.48Å
246	D	97.9	Very high	92.5	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.112	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	127.8	168.9	-170.4	49.6	0	0	0	110.7	R268 V292 G293 Q307 M312 R316	D246-R268 PolarHBondContact OD1-N 2.92Å; D246-V292 HydrophobicContact CB-CG2 4.44Å; D246-V292 VanDerWaalsContact CB-O 3.24Å; D246-V292 WeakPolarHBondContact CB-O 3.39Å; D246-G293 PolarHBondContact N-O 2.96Å; D246-Q307 PolarHBondContact O-NE2 2.66Å; D246-M312 WeakPolarHBondContact OD1-CE 3.1Å; D246-M312 WeakPolarHBondContact OD2-CE 3.47Å; D246-R316 IonicContact OD1-NH2 2.67Å; D246-R316 IonicContact OD2-CZ 2.62Å; D246-R316 IonicContact OD2-NH2 3.8Å; D246-R316 PolarHBondContact OD2-NH2 3.05Å
247	G	98.4	Very high	92.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	3.9	-174.2	0	0	0	0	0	116.4	F245 V266 Q307 V308 M312	F245-G247 PolarHBondContact O-N 2.67Å; G247-V266 WeakPolarHBondContact CA-O 3.46Å; G247-V266 PolarHBondContact N-O 3.3Å; G247-Q307 VanDerWaalsContact C-NE2 3.28Å; G247-Q307 PolarHBondContact O-NE2 3.42Å; G247-V308 WeakPolarHBondContact O-CG2 3.5Å; G247-V308 PolarHBondContact O-N 2.86Å; G247-M312 VanDerWaalsContact CA-SD 3.53Å
248	A	98.2	Very high	92.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	137.3	172.5	0	0	0	0	0	110.7	Y243 F245 I265 V266 V304	Y243-A248 WeakPolarHBondContact O-CB 3.4Å; F245-A248 WeakPolarHBondContact O-CB 3.24Å; F245-A248 PolarHBondContact O-N 3.36Å; A248-I265 WeakPolarHBondContact O-CA 3.43Å; A248-V266 HydrophobicContact CB-CB 4.37Å; A248-V266 HydrophobicContact CB-CG2 4Å; A248-V266 PolarHBondContact O-N 2.91Å; A248-V304 HydrophobicContact CB-CG1 4.21Å
249	V	98.5	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.6	180	-167.9	0	0	0	0	108.9	M177 F263 Y264 I265 F305 G306 V308	M177-V249 HydrophobicContact CB-CG2 4.39Å; M177-V249 HydrophobicContact CE-CG1 4.28Å; M177-V249 HydrophobicContact SD-CB 4.37Å; M177-V249 HydrophobicContact SD-CG1 4.08Å; M177-V249 HydrophobicContact SD-CG2 3.83Å; V249-F263 HydrophobicContact CG1-CD2 4.21Å; V249-Y264 WeakPolarHBondContact CA-O 3.25Å; V249-I265 HydrophobicContact CG1-CG1 4.31Å; V249-I265 HydrophobicContact CG2-CG1 4.22Å; V249-F305 HydrophobicContact CB-CZ 4.48Å; V249-F305 HydrophobicContact CG1-CE1 3.83Å; V249-F305 HydrophobicContact CG1-CE2 4.2Å; V249-F305 HydrophobicContact CG1-CZ 3.57Å; V249-F305 WeakPolarHBondContact O-CD1 3.12Å; V249-F305 PolarHBondContact O-N 3.23Å; V249-G306 PolarHBondContact N-O 3.12Å; V249-G306 PolarHBondContact O-N 2.96Å; V249-G306 VanDerWaalsContact O-N 3.1Å; V249-V308 HydrophobicContact CG2-CG2 4.01Å
250	C	98.5	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.6	-165	-43.6	0	0	0	0	111.1	H244 F263 Y264 T303	H244-C250 VanDerWaalsContact CD2-SG 3.56Å; C250-F263 CarbonylContact O-C 3.2Å; C250-F263 WeakPolarHBondContact O-CA 3.43Å; C250-F263 WeakPolarHBondContact O-CB 3.41Å; C250-Y264 HydrophobicContact CB-CD1 4.23Å; C250-Y264 HydrophobicContact CB-CD2 3.89Å; C250-Y264 HydrophobicContact CB-CE1 3.71Å; C250-Y264 HydrophobicContact CB-CE2 3.33Å; C250-Y264 HydrophobicContact CB-CG 4.31Å; C250-Y264 WeakPolarHBondContact CB-OH 3.32Å; C250-Y264 PolarHBondContact N-O 3.29Å; C250-Y264 PolarHBondContact O-N 3.43Å; C250-Y264 VanDerWaalsContact SG-CE2 3.51Å; C250-T303 CarbonylContact C-O 3.54Å; C250-T303 WeakPolarHBondContact CA-O 3.26Å
251	L	98.2	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.7	172.4	-63.9	179.1	0	0	0	111.1	A187 F234 N259 Y264 T303 F305	A187-L251 HydrophobicContact CB-CD1 3.52Å; A187-L251 HydrophobicContact CB-CG 4.22Å; F234-L251 HydrophobicContact CE2-CD1 3.84Å; F234-L251 HydrophobicContact CZ-CD1 3.57Å; L251-N259 WeakPolarHBondContact CB-OD1 3.42Å; L251-N259 HydrophobicContact CD1-CB 3.89Å; L251-Y264 WeakPolarHBondContact O-CE1 3.13Å; L251-T303 HydrophobicContact CD1-CG2 4.29Å; L251-T303 PolarHBondContact N-O 3.38Å; L251-F305 HydrophobicContact CD2-CD1 4.05Å; L251-F305 HydrophobicContact CD2-CE1 3.76Å; L251-F305 HydrophobicContact CG-CD1 3.98Å; L251-F305 HydrophobicContact CG-CE1 4.15Å
252	G	97	Very high	96.7	Very high	5 Å²	5	22.1 Å²	22.1	5%	0.052	13%	0.127	C	C	.	.			trans	-81.7	140.4	166	0	0	0	0	0	110.2	Q262	G252-Q262 PolarHBondContact N-O 3.36Å
253	N	95.3	Very high	97	Very high	21 Å²	21	21.1 Å²	21.1	11%	0.112	12%	0.121	C	C	.	.			trans	-141.8	166.8	178.2	70.9	37.6	0	0	0	111.3	D236 G255 Y302	D236-N253 PolarHBondContact OD1-ND2 2.87Å; N253-G255 VanDerWaalsContact CG-O 3.25Å; N253-G255 PolarHBondContact OD1-N 2.87Å; N253-G255 VanDerWaalsContact OD1-N 3.08Å; N253-G255 PolarHBondContact OD1-O 2.86Å; N253-Y302 VanDerWaalsContact OD1-CE1 3.26Å; N253-Y302 WeakPolarHBondContact OD1-CE1 3.5Å
254	H	92.5	Very high	97.2	Very high	110 Å²	110	20.6 Å²	20.6	51%	0.509	12%	0.12	S	C	.	.	S	Bend	trans	-99.7	24.5	177.2	-60.2	-88.9	0	0	0	112.1	Y233 T258	Y233-H254 AromaticContact CZ-CD2 3.97Å; Y233-H254 PolarHBondContact OH-CD2 3.3Å; H254-T258 VanDerWaalsContact C-OG1 3.3Å; H254-T258 WeakPolarHBondContact CA-OG1 3.43Å; H254-T258 PolarHBondContact N-OG1 3.5Å
255	G	94.1	Very high	97.4	Very high	24 Å²	24	20.6 Å²	20.6	25%	0.247	12%	0.119	C	C	.	.	S	Bend	trans	124.6	175.2	-169.5	0	0	0	0	0	112.2	N253 N257 T258	N253-G255 VanDerWaalsContact CG-O 3.25Å; N253-G255 PolarHBondContact OD1-N 2.87Å; N253-G255 VanDerWaalsContact OD1-N 3.08Å; N253-G255 PolarHBondContact OD1-O 2.86Å; G255-N257 PolarHBondContact O-N 2.98Å; G255-T258 PolarHBondContact N-OG1 2.76Å; G255-T258 PolarHBondContact O-N 3.31Å; G255-T258 PolarHBondContact O-OG1 3.41Å
256	P	96	Very high	97.4	Very high	106 Å²	106	20.5 Å²	20.5	69%	0.688	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	134.4	-175	-26.4	34.6	0	0	0	112.6	D236 T258	D236-P256 WeakPolarHBondContact OD2-CA 3.25Å; P256-T258 VanDerWaalsContact C-N 3.29Å; P256-T258 PolarHBondContact O-N 2.89Å
257	N	96.5	Very high	97.5	Very high	86 Å²	86	20 Å²	20	46%	0.46	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	32.4	176.4	-50.5	-58.2	0	0	0	114.8	F234 E235 D236 G255	F234-N257 CarbonylContact O-C 3.1Å; E235-N257 WeakPolarHBondContact CA-OD1 3.39Å; E235-N257 HydrophobicContact CB-CB 4.2Å; E235-N257 WeakPolarHBondContact CB-OD1 3.49Å; D236-N257 PolarHBondContact N-OD1 3.36Å; D236-N257 PolarHBondContact OD2-N 2.81Å; G255-N257 PolarHBondContact O-N 2.98Å
258	T	97.5	Very high	97.5	Very high	32 Å²	32	21.7 Å²	21.7	20%	0.196	12%	0.122	C	C	.	.			trans	-116.2	38.9	175.3	61.3	0	0	0	0	112.5	Y233 H254 G255 P256	Y233-T258 VanDerWaalsContact CD1-C 3.43Å; Y233-T258 WeakPolarHBondContact CD1-O 3.31Å; Y233-T258 HydrophobicContact CD2-CG2 4.47Å; Y233-T258 WeakPolarHBondContact CE1-O 3.37Å; H254-T258 VanDerWaalsContact C-OG1 3.3Å; H254-T258 WeakPolarHBondContact CA-OG1 3.43Å; H254-T258 PolarHBondContact N-OG1 3.5Å; G255-T258 PolarHBondContact N-OG1 2.76Å; G255-T258 PolarHBondContact O-N 3.31Å; G255-T258 PolarHBondContact O-OG1 3.41Å; P256-T258 VanDerWaalsContact C-N 3.29Å; P256-T258 PolarHBondContact O-N 2.89Å
259	N	98	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-72.3	130.3	177.6	-67.1	-50.8	0	0	0	110.6	Y233 F234 E235 D236 L251	Y233-N259 CarbonylContact C-O 3.45Å; Y233-N259 VanDerWaalsContact CA-O 3.23Å; Y233-N259 WeakPolarHBondContact CA-O 3.38Å; F234-N259 HydrophobicContact CD1-CB 3.99Å; F234-N259 WeakPolarHBondContact CD1-O 3.5Å; F234-N259 HydrophobicContact CD2-CB 3.94Å; F234-N259 HydrophobicContact CE1-CB 3.68Å; F234-N259 VanDerWaalsContact CE1-O 3.24Å; F234-N259 WeakPolarHBondContact CE1-O 3.39Å; F234-N259 HydrophobicContact CE2-CB 3.64Å; F234-N259 HydrophobicContact CG-CB 4.11Å; F234-N259 HydrophobicContact CZ-CB 3.5Å; F234-N259 PolarHBondContact N-O 3.29Å; F234-N259 WeakPolarHBondContact O-CB 3.25Å; F234-N259 PolarHBondContact O-N 3.2Å; F234-N259 VanDerWaalsContact O-N 3.09Å; E235-N259 PolarHBondContact O-ND2 2.85Å; D236-N259 WeakPolarHBondContact CA-ND2 3.4Å; D236-N259 PolarHBondContact N-ND2 3.47Å; D236-N259 PolarHBondContact OD1-ND2 3.36Å; D236-N259 PolarHBondContact OD1-OD1 2.82Å; L251-N259 WeakPolarHBondContact CB-OD1 3.42Å; L251-N259 HydrophobicContact CD1-CB 3.89Å
260	G	98.1	Very high	97.3	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	16%	0.162	C	C	.	.			trans	-127.7	-118.9	178.2	0	0	0	0	0	111.4	N190 E225 T227	N190-G260 PolarHBondContact ND2-O 2.94Å; E225-G260 WeakPolarHBondContact O-CA 3.44Å; T227-G260 CarbonylContact O-C 3.53Å
261	N	98.2	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-103.8	-10.3	174.9	60.8	81.6	0	0	0	114.3	L194 F199 Y200 G217 A218 D224 E225 T227 F263	L194-N261 HydrophobicContact CD1-CB 3.56Å; F199-N261 HydrophobicContact CD1-CB 4.22Å; F199-N261 HydrophobicContact CE1-CB 3.46Å; F199-N261 VanDerWaalsContact CE1-CB 3.46Å; F199-N261 VanDerWaalsContact CE1-CG 3.43Å; F199-N261 WeakPolarHBondContact CE1-OD1 3.4Å; F199-N261 HydrophobicContact CZ-CB 3.82Å; F199-N261 VanDerWaalsContact CZ-CG 3.46Å; Y200-N261 HydrophobicContact CE1-CB 4.4Å; Y200-N261 VanDerWaalsContact CE1-O 3.31Å; Y200-N261 WeakPolarHBondContact CE1-O 3.49Å; Y200-N261 PolarHBondContact OH-O 3.34Å; Y200-N261 VanDerWaalsContact OH-O 3.04Å; G217-N261 WeakPolarHBondContact CA-OD1 3.27Å; A218-N261 WeakPolarHBondContact CB-OD1 3.46Å; A218-N261 PolarHBondContact N-OD1 2.76Å; D224-N261 PolarHBondContact O-ND2 2.75Å; E225-N261 PolarHBondContact O-N 2.84Å; E225-N261 PolarHBondContact O-ND2 3.21Å; E225-N261 VanDerWaalsContact O-ND2 3.13Å; T227-N261 WeakPolarHBondContact O-CB 3.14Å; T227-N261 PolarHBondContact O-N 3.42Å; T227-N261 PolarHBondContact O-ND2 2.66Å; N261-F263 PolarHBondContact O-N 3.08Å
262	Q	98.5	Very high	96.4	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.056	18%	0.183	C	C	.	.			trans	-68.1	136.9	179.8	-67.6	-178.8	5.6	0	0	111	Q215 G216 A218 L219 G252	Q215-Q262 VanDerWaalsContact NE2-OE1 3.13Å; G216-Q262 WeakPolarHBondContact O-CA 3.43Å; A218-Q262 PolarHBondContact O-NE2 3.35Å; L219-Q262 HydrophobicContact CG-CG 4.42Å; G252-Q262 PolarHBondContact N-O 3.36Å
263	F	98.7	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.5	174.4	76	-81.1	0	0	0	110.1	I168 W191 Y200 F205 Q215 G216 V249 C250 N261 F305 I335	I168-F263 HydrophobicContact CD1-CE2 4.47Å; W191-F263 AromaticContact NE1-CD1 3.37Å; W191-F263 AromaticContact NE1-CD2 3.86Å; W191-F263 AromaticContact NE1-CE1 3.78Å; W191-F263 AromaticContact NE1-CG 3.41Å; Y200-F263 HydrophobicContact CD1-CD1 4.34Å; Y200-F263 AromaticContact CD1-CE1 3.86Å; Y200-F263 HydrophobicContact CD1-CE1 3.86Å; Y200-F263 AromaticContact CE1-CD1 3.87Å; Y200-F263 HydrophobicContact CE1-CD1 3.87Å; Y200-F263 AromaticContact CE1-CE1 3.87Å; Y200-F263 HydrophobicContact CE1-CE1 3.87Å; Y200-F263 HydrophobicContact CG-CE1 4.45Å; F205-F263 AromaticContact CE1-CE2 3.99Å; F205-F263 HydrophobicContact CE1-CE2 3.99Å; F205-F263 HydrophobicContact CE1-CZ 4.01Å; F205-F263 HydrophobicContact CZ-CZ 4.47Å; Q215-F263 WeakPolarHBondContact CA-O 3.33Å; Q215-F263 WeakPolarHBondContact CG-O 3.11Å; G216-F263 PolarHBondContact N-O 2.93Å; G216-F263 PolarHBondContact O-N 2.95Å; V249-F263 HydrophobicContact CG1-CD2 4.21Å; C250-F263 CarbonylContact O-C 3.2Å; C250-F263 WeakPolarHBondContact O-CA 3.43Å; C250-F263 WeakPolarHBondContact O-CB 3.41Å; N261-F263 PolarHBondContact O-N 3.08Å; F263-F305 HydrophobicContact CB-CE1 4.32Å; F263-F305 HydrophobicContact CB-CZ 4.48Å; F263-I335 HydrophobicContact CE1-CD1 4.28Å; F263-I335 HydrophobicContact CZ-CD1 3.89Å
264	Y	98.8	Very high	94.8	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.5	174.3	62.1	-96.2	0	0	0	112.2	V213 I214 H244 V249 C250 L251 V266 L298 Y302	V213-Y264 HydrophobicContact CB-CD2 4.1Å; V213-Y264 HydrophobicContact CB-CG 4.34Å; V213-Y264 HydrophobicContact CG1-CD2 3.52Å; V213-Y264 HydrophobicContact CG1-CE2 4.04Å; V213-Y264 HydrophobicContact CG1-CG 4.15Å; I214-Y264 CarbonylContact O-C 3.48Å; I214-Y264 WeakPolarHBondContact O-CA 3.48Å; I214-Y264 WeakPolarHBondContact O-CB 3.21Å; H244-Y264 PolarHBondContact CD2-OH 2.75Å; H244-Y264 PolarHBondContact NE2-OH 3.06Å; V249-Y264 WeakPolarHBondContact CA-O 3.25Å; C250-Y264 HydrophobicContact CB-CD1 4.23Å; C250-Y264 HydrophobicContact CB-CD2 3.89Å; C250-Y264 HydrophobicContact CB-CE1 3.71Å; C250-Y264 HydrophobicContact CB-CE2 3.33Å; C250-Y264 HydrophobicContact CB-CG 4.31Å; C250-Y264 WeakPolarHBondContact CB-OH 3.32Å; C250-Y264 PolarHBondContact N-O 3.29Å; C250-Y264 PolarHBondContact O-N 3.43Å; C250-Y264 VanDerWaalsContact SG-CE2 3.51Å; L251-Y264 WeakPolarHBondContact O-CE1 3.13Å; Y264-V266 HydrophobicContact CD2-CG2 4.31Å; Y264-V266 HydrophobicContact CE2-CG2 4.06Å; Y264-L298 HydrophobicContact CE2-CD1 4.39Å; Y264-Y302 HydrophobicContact CE1-CD1 4.38Å; Y264-Y302 WeakPolarHBondContact OH-CB 3.38Å
265	I	98.8	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.4	170.2	-54.3	179.5	0	0	0	107.1	I175 F205 V213 I214 A248 V249 E267 V308 V315	I175-I265 HydrophobicContact CD1-CD1 4.18Å; I175-I265 HydrophobicContact CG2-CD1 4.31Å; F205-I265 HydrophobicContact CE1-CD1 4.48Å; F205-I265 HydrophobicContact CZ-CD1 4.48Å; V213-I265 VanDerWaalsContact CA-O 3.29Å; V213-I265 WeakPolarHBondContact CA-O 3.47Å; I214-I265 HydrophobicContact CD1-CB 4.36Å; I214-I265 HydrophobicContact CD1-CD1 4.28Å; I214-I265 HydrophobicContact CG1-CB 3.84Å; I214-I265 HydrophobicContact CG1-CG1 4.39Å; I214-I265 PolarHBondContact N-O 3.13Å; I214-I265 PolarHBondContact O-N 3.33Å; A248-I265 WeakPolarHBondContact O-CA 3.43Å; V249-I265 HydrophobicContact CG1-CG1 4.31Å; V249-I265 HydrophobicContact CG2-CG1 4.22Å; I265-E267 PolarHBondContact O-N 3.27Å; I265-V308 HydrophobicContact CD1-CG2 4.25Å; I265-V308 HydrophobicContact CG2-CG2 3.74Å; I265-V315 HydrophobicContact CD1-CG2 4.45Å; I265-V315 HydrophobicContact CG2-CG1 3.98Å; I265-V315 HydrophobicContact CG2-CG2 4.15Å
266	V	98.7	Very high	93.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.5	174.8	177.4	0	0	0	0	109.5	H244 F245 G247 A248 Y264 I295	H244-V266 HydrophobicContact CB-CG2 4.3Å; F245-V266 WeakPolarHBondContact O-CB 3.42Å; F245-V266 WeakPolarHBondContact O-CG1 3.41Å; G247-V266 WeakPolarHBondContact CA-O 3.46Å; G247-V266 PolarHBondContact N-O 3.3Å; A248-V266 HydrophobicContact CB-CB 4.37Å; A248-V266 HydrophobicContact CB-CG2 4Å; A248-V266 PolarHBondContact O-N 2.91Å; Y264-V266 HydrophobicContact CD2-CG2 4.31Å; Y264-V266 HydrophobicContact CE2-CG2 4.06Å; V266-I295 HydrophobicContact CB-CD1 4.48Å; V266-I295 HydrophobicContact CG1-CD1 3.8Å; V266-I295 HydrophobicContact CG1-CG1 3.84Å; V266-I295 HydrophobicContact CG2-CD1 4.18Å
267	E	98.4	Very high	92.8	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.042	19%	0.189	C	C	.	.			trans	-128.3	86.6	174.5	-166	-73.7	126.2	0	0	107.5	D211 F212 I265 V315 R316 A319	D211-E267 CarbonylContact C-O 3.58Å; D211-E267 WeakPolarHBondContact CA-O 3.5Å; D211-E267 PolarHBondContact N-O 3.18Å; D211-E267 PolarHBondContact N-OE2 2.79Å; D211-E267 VanDerWaalsContact N-OE2 3.14Å; F212-E267 CarbonylContact C-O 3.59Å; F212-E267 PolarHBondContact N-O 3.14Å; F212-E267 PolarHBondContact O-N 2.92Å; I265-E267 PolarHBondContact O-N 3.27Å; E267-V315 HydrophobicContact CB-CG1 3.89Å; E267-V315 HydrophobicContact CG-CG1 3.84Å; E267-R316 HydrophobicContact CG-CG 4.05Å; E267-R316 WeakPolarHBondContact OE1-CG 3.37Å; E267-R316 IonicContact OE1-NE 3.59Å; E267-A319 HydrophobicContact CB-CB 4.18Å; E267-A319 HydrophobicContact CG-CB 3.7Å; E267-A319 WeakPolarHBondContact OE2-CB 3.46Å
268	R	98	Very high	92.1	Very high	36 Å²	36	39.6 Å²	39.6	14%	0.136	19%	0.191	C	C	.	.			trans	-155.7	96.6	177.2	-168.8	-178.7	178.9	-177.6	3.7	109.1	D211 D246 H270 G293 G294 I295 E297	D211-R268 HydrophobicContact CB-CG 4.41Å; D211-R268 WeakPolarHBondContact O-CD 3.45Å; D211-R268 VanDerWaalsContact O-CG 3.28Å; D211-R268 WeakPolarHBondContact O-CG 3.38Å; D246-R268 PolarHBondContact OD1-N 2.92Å; R268-H270 WeakPolarHBondContact CG-O 3.34Å; R268-H270 PolarHBondContact NE-NE2 3.11Å; R268-H270 PolarHBondContact O-N 2.66Å; R268-H270 VanDerWaalsContact O-N 3.16Å; R268-G293 CarbonylContact O-C 3.51Å; R268-G293 WeakPolarHBondContact O-CA 2.85Å; R268-G294 WeakPolarHBondContact CD-O 3.5Å; R268-G294 PolarHBondContact O-N 3.5Å; R268-I295 HydrophobicContact CB-CG1 4.39Å; R268-E297 IonicContact NH1-OE1 3.73Å; R268-E297 PolarHBondContact NH1-OE1 3.37Å
269	N	96.7	Very high	91.3	Very high	89 Å²	89	40.4 Å²	40.4	48%	0.476	19%	0.193	S	C	.	.			trans	-82.3	16.2	-175	69.1	-2.8	0	0	0	115	V292	N269-V292 CarbonylContact C-O 3.54Å; N269-V292 WeakPolarHBondContact CA-O 3.43Å
270	H	96.2	Very high	90.4	Very high	77 Å²	77	44 Å²	44	36%	0.356	21%	0.212	S	C	.	.			trans	-145.2	168.7	-179.6	67	-89.6	0	0	0	110.1	D211 R268 G293	D211-H270 IonicContact OD1-CE1 3.92Å; D211-H270 PolarHBondContact OD1-CE1 3.13Å; D211-H270 VanDerWaalsContact OD1-CE1 3.28Å; D211-H270 IonicContact OD1-ND1 3.56Å; R268-H270 WeakPolarHBondContact CG-O 3.34Å; R268-H270 PolarHBondContact NE-NE2 3.11Å; R268-H270 PolarHBondContact O-N 2.66Å; R268-H270 VanDerWaalsContact O-N 3.16Å; H270-G293 WeakPolarHBondContact O-CA 3.5Å
271	I	92.5	Very high	89.8	Confident	21 Å²	21	44.2 Å²	44.2	11%	0.108	21%	0.213	C	C	.	.			trans	-130.1	148.8	179.6	-160	64.4	0	0	0	110.5	N273 L276 Y289 G294 P296	I271-N273 PolarHBondContact O-N 3.26Å; I271-L276 HydrophobicContact CG1-CB 4.46Å; I271-L276 HydrophobicContact CG1-CD1 4.27Å; I271-L276 HydrophobicContact CG1-CD2 4.23Å; I271-Y289 HydrophobicContact CD1-CD1 4.07Å; I271-G294 WeakPolarHBondContact CD1-O 3.36Å; I271-P296 HydrophobicContact CD1-CG 3.53Å
272	D	85.3	Confident	89.1	Confident	64 Å²	64	44.7 Å²	44.7	34%	0.342	22%	0.216	S	C	.	.			trans	-80.5	100	163.4	-172.2	-8.9	0	0	0	109.5	D274 Q275 L276	D272-D274 PolarHBondContact O-N 3.17Å; D272-D274 WeakPolarHBondContact OD1-CA 3.48Å; D272-D274 WeakPolarHBondContact OD1-CB 3.44Å; D272-D274 PolarHBondContact OD1-N 2.86Å; D272-Q275 HydrophobicContact CB-CB 4.23Å; D272-Q275 HydrophobicContact CB-CG 3.92Å; D272-Q275 VanDerWaalsContact CG-CG 3.48Å; D272-Q275 PolarHBondContact O-N 3.03Å; D272-Q275 WeakPolarHBondContact OD2-CG 3.28Å; D272-L276 PolarHBondContact O-N 3.33Å; D272-L276 VanDerWaalsContact O-N 3.16Å
273	N	81.9	Confident	88.4	Confident	103 Å²	103	47.3 Å²	47.3	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-59.5	-26.4	177.6	-72.1	-65.6	0	0	0	112.6	I271 Q275	I271-N273 PolarHBondContact O-N 3.26Å; N273-Q275 PolarHBondContact O-N 3.5Å
274	D	77.2	Confident	87.7	Confident	115 Å²	115	51.2 Å²	51.2	62%	0.615	25%	0.245	S	C	*	.	H	α-helix	trans	-77.4	-4.1	178.9	-67.9	-20.4	0	0	0	112.9	D272 Y277	D272-D274 PolarHBondContact O-N 3.17Å; D272-D274 WeakPolarHBondContact OD1-CA 3.48Å; D272-D274 WeakPolarHBondContact OD1-CB 3.44Å; D272-D274 PolarHBondContact OD1-N 2.86Å; D274-Y277 WeakPolarHBondContact O-CE1 3.25Å; D274-Y277 VanDerWaalsContact O-CZ 3.32Å; D274-Y277 PolarHBondContact O-OH 3.03Å
275	Q	78.3	Confident	87.3	Confident	84 Å²	84	50.7 Å²	50.7	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-114.3	-33.3	177.9	-58.8	-69.4	-20.5	0	0	111.9	D272 N273 Y277 R278	D272-Q275 HydrophobicContact CB-CB 4.23Å; D272-Q275 HydrophobicContact CB-CG 3.92Å; D272-Q275 VanDerWaalsContact CG-CG 3.48Å; D272-Q275 PolarHBondContact O-N 3.03Å; D272-Q275 WeakPolarHBondContact OD2-CG 3.28Å; N273-Q275 PolarHBondContact O-N 3.5Å; Q275-Y277 PolarHBondContact O-N 3.42Å; Q275-Y277 VanDerWaalsContact O-N 3.09Å; Q275-R278 VanDerWaalsContact O-CB 3.25Å; Q275-R278 WeakPolarHBondContact O-CB 3.49Å; Q275-R278 PolarHBondContact O-N 3.5Å
276	L	84.9	Confident	86.8	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-30.2	-173.6	-169.1	63	0	0	0	113.4	I271 D272 R278 M279 L281 R286 Y289 E290 P296	I271-L276 HydrophobicContact CG1-CB 4.46Å; I271-L276 HydrophobicContact CG1-CD1 4.27Å; I271-L276 HydrophobicContact CG1-CD2 4.23Å; D272-L276 PolarHBondContact O-N 3.33Å; D272-L276 VanDerWaalsContact O-N 3.16Å; L276-R278 VanDerWaalsContact C-N 3.27Å; L276-R278 PolarHBondContact O-N 3Å; L276-M279 PolarHBondContact O-N 2.96Å; L276-L281 HydrophobicContact CD1-CD1 3.65Å; L276-R286 HydrophobicContact CD2-CG 3.65Å; L276-R286 HydrophobicContact CG-CG 3.97Å; L276-R286 PolarHBondContact O-NH2 2.87Å; L276-Y289 HydrophobicContact CD1-CD2 4.27Å; L276-Y289 HydrophobicContact CD1-CG 4.26Å; L276-E290 HydrophobicContact CD2-CG 3.69Å; L276-P296 HydrophobicContact CD1-CB 4.26Å; L276-P296 HydrophobicContact CD1-CG 4.11Å
277	Y	77.8	Confident	86.3	Confident	41 Å²	41	53.5 Å²	53.5	16%	0.161	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21	176.6	69.7	-99.7	0	0	0	114	H88 L90 D274 Q275 M279	H88-Y277 HydrophobicContact CB-CD2 3.85Å; H88-Y277 HydrophobicContact CB-CG 4.15Å; L90-Y277 HydrophobicContact CD2-CD2 3.75Å; L90-Y277 HydrophobicContact CD2-CE2 3.69Å; D274-Y277 WeakPolarHBondContact O-CE1 3.25Å; D274-Y277 VanDerWaalsContact O-CZ 3.32Å; D274-Y277 PolarHBondContact O-OH 3.03Å; Q275-Y277 PolarHBondContact O-N 3.42Å; Q275-Y277 VanDerWaalsContact O-N 3.09Å; Y277-M279 PolarHBondContact O-N 3.16Å
278	R	81.9	Confident	86	Confident	131 Å²	131	55.3 Å²	55.3	49%	0.494	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.5	179.8	-61.3	-176.8	168.8	142.9	7.1	112.1	L90 Q275 L276	L90-R278 HydrophobicContact CD2-CG 4.49Å; Q275-R278 VanDerWaalsContact O-CB 3.25Å; Q275-R278 WeakPolarHBondContact O-CB 3.49Å; Q275-R278 PolarHBondContact O-N 3.5Å; L276-R278 VanDerWaalsContact C-N 3.27Å; L276-R278 PolarHBondContact O-N 3Å
279	M	81	Confident	85.8	Confident	49 Å²	49	53.6 Å²	53.6	24%	0.241	26%	0.262	C	S	.	.	S	Bend	trans	-96	138.3	179.6	-65.4	-173.3	67.4	0	0	112	L276 Y277 L281 R286 P296 D299	L276-M279 PolarHBondContact O-N 2.96Å; Y277-M279 PolarHBondContact O-N 3.16Å; M279-L281 VanDerWaalsContact C-N 3.33Å; M279-L281 HydrophobicContact CB-CD1 4.16Å; M279-L281 HydrophobicContact CB-CG 3.9Å; M279-L281 HydrophobicContact CE-CD2 4.16Å; M279-L281 PolarHBondContact O-N 3.38Å; M279-L281 VanDerWaalsContact O-N 3.12Å; M279-R286 PolarHBondContact O-NH2 3.05Å; M279-P296 HydrophobicContact CE-CB 4.12Å; M279-P296 WeakPolarHBondContact CE-O 3.26Å; M279-P296 HydrophobicContact SD-CB 3.55Å; M279-P296 VanDerWaalsContact SD-CB 3.55Å; M279-P296 HydrophobicContact SD-CG 4.12Å; M279-P296 VanDerWaalsContact SD-O 3.33Å; M279-D299 HydrophobicContact CE-CB 3.96Å
280	N	79.2	Confident	85.6	Confident	76 Å²	76	54.3 Å²	54.3	41%	0.406	26%	0.263	S	S	.	.			trans	-84.1	78.3	173.1	-165.4	17.3	0	0	0	110.1	T119 D143	T119-N280 VanDerWaalsContact CB-OD1 3.25Å; T119-N280 WeakPolarHBondContact CB-OD1 3.41Å; T119-N280 PolarHBondContact OG1-OD1 3.47Å; D143-N280 PolarHBondContact OD2-ND2 3.19Å
281	L	85.4	Confident	85.5	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	28%	0.277	C	S	.	.			trans	-102.6	141.6	179.5	-64	173.2	0	0	0	111.1	R110 Y243 L276 M279 H283 V285 R286 Y289 P296	R110-L281 PolarHBondContact NH2-O 2.74Å; Y243-L281 HydrophobicContact CD1-CD2 4.31Å; Y243-L281 HydrophobicContact CE1-CD2 4.02Å; L276-L281 HydrophobicContact CD1-CD1 3.65Å; M279-L281 VanDerWaalsContact C-N 3.33Å; M279-L281 HydrophobicContact CB-CD1 4.16Å; M279-L281 HydrophobicContact CB-CG 3.9Å; M279-L281 HydrophobicContact CE-CD2 4.16Å; M279-L281 PolarHBondContact O-N 3.38Å; M279-L281 VanDerWaalsContact O-N 3.12Å; L281-H283 PolarHBondContact O-N 2.91Å; L281-V285 HydrophobicContact CB-CB 4.46Å; L281-V285 HydrophobicContact CB-CG1 4.22Å; L281-V285 HydrophobicContact CD1-CG1 4.35Å; L281-V285 HydrophobicContact CD2-CG1 4.09Å; L281-V285 HydrophobicContact CG-CG1 4.45Å; L281-R286 HydrophobicContact CB-CB 4.45Å; L281-Y289 HydrophobicContact CD1-CD2 3.78Å; L281-Y289 HydrophobicContact CD1-CE2 3.93Å; L281-P296 HydrophobicContact CD1-CB 4.36Å
282	P	84.1	Confident	85.6	Confident	10 Å²	10	55.5 Å²	55.5	7%	0.065	28%	0.284	C	S	.	.			trans	-47.6	140.4	167	-18.9	24.1	0	0	0	111.4	E117 I146 N150 K284 V285 R286	E117-P282 VanDerWaalsContact OE1-CA 3.25Å; E117-P282 WeakPolarHBondContact OE1-CA 3.39Å; I146-P282 VanDerWaalsContact CD1-CA 3.47Å; I146-P282 HydrophobicContact CD1-CB 3.87Å; I146-P282 HydrophobicContact CD1-CG 3.69Å; N150-P282 HydrophobicContact CB-CB 4.34Å; P282-K284 PolarHBondContact O-N 2.82Å; P282-K284 VanDerWaalsContact O-N 3.13Å; P282-V285 HydrophobicContact CB-CB 4.22Å; P282-V285 HydrophobicContact CB-CG2 3.88Å; P282-V285 HydrophobicContact CG-CB 4.28Å; P282-V285 HydrophobicContact CG-CG2 3.77Å; P282-V285 WeakPolarHBondContact O-CA 3.42Å; P282-V285 WeakPolarHBondContact O-CB 3.43Å; P282-V285 PolarHBondContact O-N 3.23Å; P282-R286 PolarHBondContact O-N 3.37Å
283	H	82.5	Confident	86.1	Confident	66 Å²	66	52.5 Å²	52.5	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-51.6	-43	-176.9	178.1	57.8	0	0	0	112.4	E117 Y148 L281 V285 R286 S287	E117-H283 VanDerWaalsContact CD-N 3.34Å; E117-H283 PolarHBondContact OE1-N 3.28Å; E117-H283 WeakPolarHBondContact OE2-CB 3.17Å; E117-H283 PolarHBondContact OE2-N 3.42Å; Y148-H283 HydrophobicContact CD2-CB 4.32Å; Y148-H283 HydrophobicContact CE2-CB 4.04Å; L281-H283 PolarHBondContact O-N 2.91Å; H283-V285 PolarHBondContact O-N 3.03Å; H283-R286 WeakPolarHBondContact O-CB 3.25Å; H283-R286 PolarHBondContact O-N 3.23Å; H283-S287 PolarHBondContact O-N 2.84Å; H283-S287 PolarHBondContact O-OG 3.47Å
284	K	84.2	Confident	86.8	Confident	83 Å²	83	47.6 Å²	47.6	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-35.7	176.9	-70.7	-148.9	-166.3	151	0	114.4	N150 L153 P282 H288	N150-K284 WeakPolarHBondContact O-CD 3.49Å; N150-K284 VanDerWaalsContact O-CE 3.3Å; N150-K284 WeakPolarHBondContact O-CE 3.14Å; N150-K284 PolarHBondContact O-NZ 3.15Å; L153-K284 HydrophobicContact CD1-CB 3.84Å; P282-K284 PolarHBondContact O-N 2.82Å; P282-K284 VanDerWaalsContact O-N 3.13Å; K284-H288 WeakPolarHBondContact O-CB 3.48Å; K284-H288 PolarHBondContact O-N 3.13Å
285	V	89.4	Confident	87.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-45.5	176.9	170.7	0	0	0	0	109.2	L153 Y243 F245 L281 P282 H283 S287 H288 Y289	L153-V285 HydrophobicContact CD1-CG2 3.77Å; L153-V285 HydrophobicContact CD2-CG2 3.5Å; L153-V285 HydrophobicContact CG-CG2 4.31Å; Y243-V285 HydrophobicContact CD1-CG1 3.45Å; Y243-V285 VanDerWaalsContact CD1-CG1 3.45Å; Y243-V285 HydrophobicContact CD2-CG1 4.11Å; Y243-V285 HydrophobicContact CD2-CG2 4.01Å; Y243-V285 HydrophobicContact CE1-CB 4.32Å; Y243-V285 HydrophobicContact CE1-CG1 3.5Å; Y243-V285 HydrophobicContact CE1-CG2 4.03Å; Y243-V285 HydrophobicContact CE2-CB 4.48Å; Y243-V285 HydrophobicContact CE2-CG1 4.17Å; Y243-V285 HydrophobicContact CE2-CG2 3.47Å; Y243-V285 VanDerWaalsContact CE2-CG2 3.47Å; Y243-V285 HydrophobicContact CG-CG1 3.77Å; Y243-V285 VanDerWaalsContact CZ-CG2 3.48Å; F245-V285 HydrophobicContact CE1-CG1 4.08Å; F245-V285 HydrophobicContact CZ-CB 4.48Å; F245-V285 HydrophobicContact CZ-CG1 3.91Å; L281-V285 HydrophobicContact CB-CB 4.46Å; L281-V285 HydrophobicContact CB-CG1 4.22Å; L281-V285 HydrophobicContact CD1-CG1 4.35Å; L281-V285 HydrophobicContact CD2-CG1 4.09Å; L281-V285 HydrophobicContact CG-CG1 4.45Å; P282-V285 HydrophobicContact CB-CB 4.22Å; P282-V285 HydrophobicContact CB-CG2 3.88Å; P282-V285 HydrophobicContact CG-CB 4.28Å; P282-V285 HydrophobicContact CG-CG2 3.77Å; P282-V285 WeakPolarHBondContact O-CA 3.42Å; P282-V285 WeakPolarHBondContact O-CB 3.43Å; P282-V285 PolarHBondContact O-N 3.23Å; H283-V285 PolarHBondContact O-N 3.03Å; V285-S287 PolarHBondContact O-N 3.32Å; V285-H288 WeakPolarHBondContact O-CB 3.42Å; V285-H288 PolarHBondContact O-N 2.9Å; V285-H288 VanDerWaalsContact O-N 3.13Å; V285-Y289 HydrophobicContact CG1-CD2 3.84Å; V285-Y289 HydrophobicContact CG1-CE2 3.67Å; V285-Y289 WeakPolarHBondContact O-CD2 3.5Å; V285-Y289 PolarHBondContact O-N 3.01Å
286	R	88.6	Confident	88.4	Confident	16 Å²	16	38.3 Å²	38.3	6%	0.06	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-51.6	173.9	-179.9	175.8	-65.1	-172.5	-3.4	111.7	L276 M279 L281 P282 H283 H288 Y289 E290	L276-R286 HydrophobicContact CD2-CG 3.65Å; L276-R286 HydrophobicContact CG-CG 3.97Å; L276-R286 PolarHBondContact O-NH2 2.87Å; M279-R286 PolarHBondContact O-NH2 3.05Å; L281-R286 HydrophobicContact CB-CB 4.45Å; P282-R286 PolarHBondContact O-N 3.37Å; H283-R286 WeakPolarHBondContact O-CB 3.25Å; H283-R286 PolarHBondContact O-N 3.23Å; R286-H288 PolarHBondContact O-N 3.33Å; R286-Y289 WeakPolarHBondContact O-CB 3.44Å; R286-Y289 PolarHBondContact O-N 2.89Å; R286-Y289 VanDerWaalsContact O-N 3.14Å; R286-E290 WeakPolarHBondContact CG-OE1 3.48Å; R286-E290 WeakPolarHBondContact O-CG 3.44Å; R286-E290 PolarHBondContact O-N 2.8Å
287	S	88.3	Confident	88.7	Confident	43 Å²	43	42.6 Å²	42.6	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-28.7	178.4	-62.9	0	0	0	0	112.8	H283 V285 A291	H283-S287 PolarHBondContact O-N 2.84Å; H283-S287 PolarHBondContact O-OG 3.47Å; V285-S287 PolarHBondContact O-N 3.32Å; S287-A291 WeakPolarHBondContact O-CB 3.48Å; S287-A291 PolarHBondContact O-N 2.79Å
288	H	91.7	Very high	89.5	Confident	48 Å²	48	41.6 Å²	41.6	22%	0.222	21%	0.213	C	C	.	.	H	α-helix	trans	-72.2	-45	173.3	-161.9	70.6	0	0	0	112	L156 F245 K284 V285 R286 E290 A291 V292	L156-H288 HydrophobicContact CD1-CB 3.95Å; L156-H288 WeakPolarHBondContact CD2-CD2 3.44Å; L156-H288 VanDerWaalsContact CD2-CE1 3.41Å; L156-H288 WeakPolarHBondContact CD2-CE1 3.37Å; L156-H288 WeakPolarHBondContact CD2-NE2 3.41Å; F245-H288 AromaticContact CD1-CD2 3.57Å; F245-H288 AromaticContact CD2-CD2 3.68Å; F245-H288 HydrophobicContact CE1-CB 3.92Å; F245-H288 AromaticContact CE1-CD2 3.62Å; F245-H288 AromaticContact CE2-CD2 3.73Å; F245-H288 AromaticContact CG-CD2 3.6Å; F245-H288 HydrophobicContact CZ-CB 3.95Å; F245-H288 AromaticContact CZ-CD2 3.7Å; K284-H288 WeakPolarHBondContact O-CB 3.48Å; K284-H288 PolarHBondContact O-N 3.13Å; V285-H288 WeakPolarHBondContact O-CB 3.42Å; V285-H288 PolarHBondContact O-N 2.9Å; V285-H288 VanDerWaalsContact O-N 3.13Å; R286-H288 PolarHBondContact O-N 3.33Å; H288-E290 VanDerWaalsContact C-N 3.28Å; H288-E290 PolarHBondContact O-N 3.46Å; H288-A291 WeakPolarHBondContact O-CA 3.36Å; H288-A291 WeakPolarHBondContact O-CB 3.45Å; H288-A291 PolarHBondContact O-N 3.3Å; H288-V292 VanDerWaalsContact CE1-CG1 3.47Å; H288-V292 WeakPolarHBondContact CE1-CG1 3.4Å; H288-V292 WeakPolarHBondContact NE2-CG2 3.48Å; H288-V292 WeakPolarHBondContact O-CG2 3.2Å; H288-V292 PolarHBondContact O-N 3.21Å
289	Y	94.3	Very high	90	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-54.5	-43.1	171.2	-86.2	-64.2	0	0	0	112.6	Y243 H244 F245 I271 L276 L281 V285 R286 A291 G293 P296 D299	Y243-Y289 WeakPolarHBondContact CB-OH 3.5Å; Y243-Y289 HydrophobicContact CD1-CE2 4.33Å; H244-Y289 PolarHBondContact N-OH 2.65Å; F245-Y289 AromaticContact CD1-CD1 3.71Å; F245-Y289 HydrophobicContact CD1-CD1 3.71Å; F245-Y289 HydrophobicContact CD1-CD2 4.06Å; F245-Y289 AromaticContact CD1-CE1 3.55Å; F245-Y289 HydrophobicContact CD1-CE1 3.55Å; F245-Y289 AromaticContact CD1-CE2 3.91Å; F245-Y289 HydrophobicContact CD1-CE2 3.91Å; F245-Y289 AromaticContact CD1-CG 3.94Å; F245-Y289 HydrophobicContact CD1-CG 3.94Å; F245-Y289 AromaticContact CD1-CZ 3.63Å; F245-Y289 HydrophobicContact CE1-CD1 4.07Å; F245-Y289 AromaticContact CE1-CD2 3.55Å; F245-Y289 HydrophobicContact CE1-CD2 3.55Å; F245-Y289 HydrophobicContact CE1-CE1 4.03Å; F245-Y289 AromaticContact CE1-CE2 3.49Å; F245-Y289 HydrophobicContact CE1-CE2 3.49Å; F245-Y289 VanDerWaalsContact CE1-CE2 3.49Å; F245-Y289 AromaticContact CE1-CG 3.82Å; F245-Y289 HydrophobicContact CE1-CG 3.82Å; F245-Y289 AromaticContact CE1-CZ 3.73Å; F245-Y289 HydrophobicContact CZ-CE2 4.42Å; I271-Y289 HydrophobicContact CD1-CD1 4.07Å; L276-Y289 HydrophobicContact CD1-CD2 4.27Å; L276-Y289 HydrophobicContact CD1-CG 4.26Å; L281-Y289 HydrophobicContact CD1-CD2 3.78Å; L281-Y289 HydrophobicContact CD1-CE2 3.93Å; V285-Y289 HydrophobicContact CG1-CD2 3.84Å; V285-Y289 HydrophobicContact CG1-CE2 3.67Å; V285-Y289 WeakPolarHBondContact O-CD2 3.5Å; V285-Y289 PolarHBondContact O-N 3.01Å; R286-Y289 WeakPolarHBondContact O-CB 3.44Å; R286-Y289 PolarHBondContact O-N 2.89Å; R286-Y289 VanDerWaalsContact O-N 3.14Å; Y289-A291 PolarHBondContact O-N 3.44Å; Y289-G293 VanDerWaalsContact CD1-O 3.28Å; Y289-G293 WeakPolarHBondContact CD1-O 3.19Å; Y289-G293 VanDerWaalsContact O-CA 3.26Å; Y289-G293 WeakPolarHBondContact O-CA 3.42Å; Y289-G293 PolarHBondContact O-N 3.05Å; Y289-P296 HydrophobicContact CD1-CB 4.27Å; Y289-P296 HydrophobicContact CD1-CG 4.49Å; Y289-P296 HydrophobicContact CD2-CB 4.25Å; Y289-P296 HydrophobicContact CE1-CB 3.87Å; Y289-P296 HydrophobicContact CE1-CG 4.39Å; Y289-P296 HydrophobicContact CE2-CB 3.86Å; Y289-P296 HydrophobicContact CG-CB 4.46Å; Y289-D299 PolarHBondContact OH-OD1 3.08Å; Y289-D299 PolarHBondContact OH-OD2 3.31Å
290	E	93.4	Very high	90.4	Very high	103 Å²	103	36.8 Å²	36.8	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-32.9	175.3	-70.1	165	179	0	0	112.2	L276 R286 H288	L276-E290 HydrophobicContact CD2-CG 3.69Å; R286-E290 WeakPolarHBondContact CG-OE1 3.48Å; R286-E290 WeakPolarHBondContact O-CG 3.44Å; R286-E290 PolarHBondContact O-N 2.8Å; H288-E290 VanDerWaalsContact C-N 3.28Å; H288-E290 PolarHBondContact O-N 3.46Å
291	A	93.9	Very high	91	Very high	79 Å²	79	41.2 Å²	41.2	65%	0.653	22%	0.222	S	C	*	.	H	α-helix	trans	-85.2	-35.4	-176.6	0	0	0	0	0	114	S287 H288 Y289	S287-A291 WeakPolarHBondContact O-CB 3.48Å; S287-A291 PolarHBondContact O-N 2.79Å; H288-A291 WeakPolarHBondContact O-CA 3.36Å; H288-A291 WeakPolarHBondContact O-CB 3.45Å; H288-A291 PolarHBondContact O-N 3.3Å; Y289-A291 PolarHBondContact O-N 3.44Å
292	V	94.7	Very high	91.6	Very high	44 Å²	44	44.3 Å²	44.3	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-119.7	-14.8	-172.1	-48.9	0	0	0	0	114.4	F245 D246 N269 H288	F245-V292 HydrophobicContact CB-CG2 4.15Å; F245-V292 HydrophobicContact CD1-CG2 4.48Å; D246-V292 HydrophobicContact CB-CG2 4.44Å; D246-V292 VanDerWaalsContact CB-O 3.24Å; D246-V292 WeakPolarHBondContact CB-O 3.39Å; N269-V292 CarbonylContact C-O 3.54Å; N269-V292 WeakPolarHBondContact CA-O 3.43Å; H288-V292 VanDerWaalsContact CE1-CG1 3.47Å; H288-V292 WeakPolarHBondContact CE1-CG1 3.4Å; H288-V292 WeakPolarHBondContact NE2-CG2 3.48Å; H288-V292 WeakPolarHBondContact O-CG2 3.2Å; H288-V292 PolarHBondContact O-N 3.21Å
293	G	96.4	Very high	92.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	23%	0.231	C	C	.	.			trans	81.4	-162.4	-170.4	0	0	0	0	0	113.6	D246 R268 H270 Y289	D246-G293 PolarHBondContact N-O 2.96Å; R268-G293 CarbonylContact O-C 3.51Å; R268-G293 WeakPolarHBondContact O-CA 2.85Å; H270-G293 WeakPolarHBondContact O-CA 3.5Å; Y289-G293 VanDerWaalsContact CD1-O 3.28Å; Y289-G293 WeakPolarHBondContact CD1-O 3.19Å; Y289-G293 VanDerWaalsContact O-CA 3.26Å; Y289-G293 WeakPolarHBondContact O-CA 3.42Å; Y289-G293 PolarHBondContact O-N 3.05Å
294	G	96.4	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	127.7	-170.7	-177.7	0	0	0	0	0	112.7	H244 R268 I271 P296	H244-G294 CarbonylContact O-C 3.25Å; H244-G294 WeakPolarHBondContact O-CA 3.3Å; R268-G294 WeakPolarHBondContact CD-O 3.5Å; R268-G294 PolarHBondContact O-N 3.5Å; I271-G294 WeakPolarHBondContact CD1-O 3.36Å; G294-P296 WeakPolarHBondContact O-CD 3.23Å
295	I	95.6	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.			trans	-123.6	71.2	-173.6	-48.4	164.6	0	0	0	109.8	F212 V213 H244 V266 R268 E297 L298	F212-I295 HydrophobicContact CD2-CD1 3.34Å; F212-I295 HydrophobicContact CD2-CG1 4.09Å; F212-I295 HydrophobicContact CD2-CG2 4.3Å; F212-I295 HydrophobicContact CE2-CD1 3.62Å; F212-I295 HydrophobicContact CE2-CG1 4.4Å; F212-I295 HydrophobicContact CE2-CG2 3.92Å; F212-I295 HydrophobicContact CG-CD1 4.13Å; F212-I295 VanDerWaalsContact O-CD1 3.31Å; F212-I295 WeakPolarHBondContact O-CD1 3.4Å; V213-I295 HydrophobicContact CG1-CD1 3.8Å; H244-I295 HydrophobicContact CB-CB 4.34Å; H244-I295 VanDerWaalsContact CB-O 3.25Å; H244-I295 WeakPolarHBondContact CB-O 3.3Å; H244-I295 PolarHBondContact O-N 3.25Å; V266-I295 HydrophobicContact CB-CD1 4.48Å; V266-I295 HydrophobicContact CG1-CD1 3.8Å; V266-I295 HydrophobicContact CG1-CG1 3.84Å; V266-I295 HydrophobicContact CG2-CD1 4.18Å; R268-I295 HydrophobicContact CB-CG1 4.39Å; I295-E297 HydrophobicContact CG2-CG 3.66Å; I295-E297 WeakPolarHBondContact CG2-OE1 3.09Å; I295-E297 PolarHBondContact O-N 2.93Å; I295-E297 VanDerWaalsContact O-N 3.12Å; I295-L298 HydrophobicContact CB-CD1 4.02Å; I295-L298 HydrophobicContact CB-CG 4.2Å; I295-L298 HydrophobicContact CD1-CD1 4Å; I295-L298 HydrophobicContact CG2-CB 4.43Å; I295-L298 HydrophobicContact CG2-CD1 3.7Å; I295-L298 HydrophobicContact CG2-CG 3.56Å; I295-L298 PolarHBondContact O-N 3.08Å
296	P	93.7	Very high	93.9	Very high	4 Å²	4	37 Å²	37	3%	0.026	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.3	-26.5	-173.7	31.8	-41	0	0	0	112	I271 L276 M279 L281 Y289 G294 L298 D299	I271-P296 HydrophobicContact CD1-CG 3.53Å; L276-P296 HydrophobicContact CD1-CB 4.26Å; L276-P296 HydrophobicContact CD1-CG 4.11Å; M279-P296 HydrophobicContact CE-CB 4.12Å; M279-P296 WeakPolarHBondContact CE-O 3.26Å; M279-P296 HydrophobicContact SD-CB 3.55Å; M279-P296 VanDerWaalsContact SD-CB 3.55Å; M279-P296 HydrophobicContact SD-CG 4.12Å; M279-P296 VanDerWaalsContact SD-O 3.33Å; L281-P296 HydrophobicContact CD1-CB 4.36Å; Y289-P296 HydrophobicContact CD1-CB 4.27Å; Y289-P296 HydrophobicContact CD1-CG 4.49Å; Y289-P296 HydrophobicContact CD2-CB 4.25Å; Y289-P296 HydrophobicContact CE1-CB 3.87Å; Y289-P296 HydrophobicContact CE1-CG 4.39Å; Y289-P296 HydrophobicContact CE2-CB 3.86Å; Y289-P296 HydrophobicContact CG-CB 4.46Å; G294-P296 WeakPolarHBondContact O-CD 3.23Å; P296-L298 PolarHBondContact O-N 2.62Å; P296-D299 VanDerWaalsContact O-CB 3.25Å; P296-D299 WeakPolarHBondContact O-CB 3.3Å; P296-D299 VanDerWaalsContact O-CG 3.31Å; P296-D299 PolarHBondContact O-N 3.46Å
297	E	91.2	Very high	94.3	Very high	93 Å²	93	37.2 Å²	37.2	44%	0.435	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-59.4	-16	175.7	61.6	-90.4	-143.8	0	0	114.9	R268 I295 R301	R268-E297 IonicContact NH1-OE1 3.73Å; R268-E297 PolarHBondContact NH1-OE1 3.37Å; I295-E297 HydrophobicContact CG2-CG 3.66Å; I295-E297 WeakPolarHBondContact CG2-OE1 3.09Å; I295-E297 PolarHBondContact O-N 2.93Å; I295-E297 VanDerWaalsContact O-N 3.12Å; E297-R301 WeakPolarHBondContact O-CD 3.3Å; E297-R301 PolarHBondContact O-NE 3.43Å
298	L	93.7	Very high	94.8	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.11	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-91.1	-10.7	173.5	-58.3	-178.4	0	0	0	113.7	F212 H244 Y264 I295 P296 G300 R301 Y302	F212-L298 HydrophobicContact CE2-CD1 4.23Å; F212-L298 HydrophobicContact CZ-CD1 4.35Å; H244-L298 HydrophobicContact CB-CB 4.42Å; H244-L298 VanDerWaalsContact CE1-C 3.43Å; H244-L298 PolarHBondContact CE1-O 3.02Å; Y264-L298 HydrophobicContact CE2-CD1 4.39Å; I295-L298 HydrophobicContact CB-CD1 4.02Å; I295-L298 HydrophobicContact CB-CG 4.2Å; I295-L298 HydrophobicContact CD1-CD1 4Å; I295-L298 HydrophobicContact CG2-CB 4.43Å; I295-L298 HydrophobicContact CG2-CD1 3.7Å; I295-L298 HydrophobicContact CG2-CG 3.56Å; I295-L298 PolarHBondContact O-N 3.08Å; P296-L298 PolarHBondContact O-N 2.62Å; L298-G300 PolarHBondContact O-N 2.92Å; L298-R301 WeakPolarHBondContact O-CB 3.47Å; L298-R301 PolarHBondContact O-N 3.42Å; L298-Y302 HydrophobicContact CB-CD2 4.01Å; L298-Y302 HydrophobicContact CD2-CD2 3.89Å; L298-Y302 HydrophobicContact CD2-CE2 3.58Å; L298-Y302 HydrophobicContact CG-CD2 4.37Å; L298-Y302 PolarHBondContact O-N 2.7Å
299	D	92.1	Very high	95.1	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.123	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	136.3	178.7	-66.5	-20.8	0	0	0	111.7	Y243 H244 M279 Y289 P296 R301	Y243-D299 WeakPolarHBondContact CA-OD1 3.46Å; Y243-D299 WeakPolarHBondContact CD1-OD2 3.49Å; H244-D299 IonicContact CG-OD1 3.57Å; H244-D299 PolarHBondContact N-OD1 3.44Å; H244-D299 PolarHBondContact ND1-N 3.01Å; H244-D299 IonicContact ND1-OD1 3.91Å; H244-D299 PolarHBondContact ND1-OD1 3.39Å; M279-D299 HydrophobicContact CE-CB 3.96Å; Y289-D299 PolarHBondContact OH-OD1 3.08Å; Y289-D299 PolarHBondContact OH-OD2 3.31Å; P296-D299 VanDerWaalsContact O-CB 3.25Å; P296-D299 WeakPolarHBondContact O-CB 3.3Å; P296-D299 VanDerWaalsContact O-CG 3.31Å; P296-D299 PolarHBondContact O-N 3.46Å; D299-R301 PolarHBondContact O-N 3.06Å
300	G	89.6	Confident	95.2	Very high	55 Å²	55	41.9 Å²	41.9	57%	0.567	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	8.6	-175.9	0	0	0	0	0	114.5	L298	L298-G300 PolarHBondContact O-N 2.92Å
301	R	92.9	Very high	95.4	Very high	170 Å²	170	37.9 Å²	37.9	64%	0.642	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-32.9	178.2	-57.4	-177.3	179	-78.4	-3.2	114	E297 L298 D299	E297-R301 WeakPolarHBondContact O-CD 3.3Å; E297-R301 PolarHBondContact O-NE 3.43Å; L298-R301 WeakPolarHBondContact O-CB 3.47Å; L298-R301 PolarHBondContact O-N 3.42Å; D299-R301 PolarHBondContact O-N 3.06Å
302	Y	96.5	Very high	95.6	Very high	71 Å²	71	35.6 Å²	35.6	28%	0.278	18%	0.184	S	C	.	.	S	Bend	trans	-127.1	146.9	-178.3	-63.8	-91.4	0	0	0	110.7	N253 Y264 L298 V304	N253-Y302 VanDerWaalsContact OD1-CE1 3.26Å; N253-Y302 WeakPolarHBondContact OD1-CE1 3.5Å; Y264-Y302 HydrophobicContact CE1-CD1 4.38Å; Y264-Y302 WeakPolarHBondContact OH-CB 3.38Å; L298-Y302 HydrophobicContact CB-CD2 4.01Å; L298-Y302 HydrophobicContact CD2-CD2 3.89Å; L298-Y302 HydrophobicContact CD2-CE2 3.58Å; L298-Y302 HydrophobicContact CG-CD2 4.37Å; L298-Y302 PolarHBondContact O-N 2.7Å; Y302-V304 PolarHBondContact O-N 3.36Å
303	T	97.5	Very high	95.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.201	C	C	.	.			trans	-75.2	106.5	-179.4	-57.7	0	0	0	0	110	A184 A187 D236 E237 C250 L251	A184-T303 HydrophobicContact CB-CG2 4.16Å; A187-T303 HydrophobicContact CB-CG2 3.64Å; D236-T303 WeakPolarHBondContact CA-OG1 3.35Å; E237-T303 HydrophobicContact CB-CG2 3.79Å; E237-T303 PolarHBondContact N-OG1 2.87Å; C250-T303 CarbonylContact C-O 3.54Å; C250-T303 WeakPolarHBondContact CA-O 3.26Å; L251-T303 HydrophobicContact CD1-CG2 4.29Å; L251-T303 PolarHBondContact N-O 3.38Å
304	V	97.6	Very high	95.9	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.2	165.6	-175.4	0	0	0	0	107.7	L242 H244 A248 Y302	L242-V304 HydrophobicContact CB-CB 3.7Å; L242-V304 HydrophobicContact CB-CG1 3.92Å; L242-V304 HydrophobicContact CB-CG2 4.39Å; L242-V304 HydrophobicContact CD1-CB 4.34Å; L242-V304 HydrophobicContact CD1-CG1 4.44Å; L242-V304 WeakPolarHBondContact CD1-O 3.34Å; H244-V304 VanDerWaalsContact CE1-CG2 3.49Å; H244-V304 WeakPolarHBondContact CE1-CG2 3.26Å; A248-V304 HydrophobicContact CB-CG1 4.21Å; Y302-V304 PolarHBondContact O-N 3.36Å
305	F	96.9	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-5.3	-178.9	75	-89.9	0	0	0	114	M177 V179 F180 A184 A187 V188 W191 V249 L251 F263	M177-F305 HydrophobicContact CE-CE2 3.88Å; M177-F305 HydrophobicContact CE-CZ 4.47Å; V179-F305 WeakPolarHBondContact CA-O 3.44Å; F180-F305 PolarHBondContact N-O 2.82Å; A184-F305 HydrophobicContact CB-CB 3.81Å; A187-F305 HydrophobicContact CB-CB 3.79Å; A187-F305 HydrophobicContact CB-CG 4.27Å; V188-F305 HydrophobicContact CG2-CB 4Å; V188-F305 HydrophobicContact CG2-CD2 4.08Å; W191-F305 HydrophobicContact CB-CE2 3.99Å; W191-F305 HydrophobicContact CB-CZ 4.05Å; W191-F305 AromaticContact CD1-CZ 3.62Å; W191-F305 AromaticContact CD2-CE2 3.74Å; W191-F305 HydrophobicContact CD2-CE2 3.74Å; W191-F305 AromaticContact CD2-CZ 3.82Å; W191-F305 HydrophobicContact CD2-CZ 3.82Å; W191-F305 HydrophobicContact CE3-CE2 4.01Å; W191-F305 AromaticContact CG-CE2 3.73Å; W191-F305 HydrophobicContact CG-CE2 3.73Å; W191-F305 AromaticContact CG-CZ 3.55Å; W191-F305 HydrophobicContact CG-CZ 3.55Å; W191-F305 AromaticContact NE1-CZ 3.91Å; V249-F305 HydrophobicContact CB-CZ 4.48Å; V249-F305 HydrophobicContact CG1-CE1 3.83Å; V249-F305 HydrophobicContact CG1-CE2 4.2Å; V249-F305 HydrophobicContact CG1-CZ 3.57Å; V249-F305 WeakPolarHBondContact O-CD1 3.12Å; V249-F305 PolarHBondContact O-N 3.23Å; L251-F305 HydrophobicContact CD2-CD1 4.05Å; L251-F305 HydrophobicContact CD2-CE1 3.76Å; L251-F305 HydrophobicContact CG-CD1 3.98Å; L251-F305 HydrophobicContact CG-CE1 4.15Å; F263-F305 HydrophobicContact CB-CE1 4.32Å; F263-F305 HydrophobicContact CB-CZ 4.48Å
306	G	97.2	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	174.8	178.6	0	0	0	0	0	113.8	R178 V249	R178-G306 CarbonylContact O-C 3.47Å; R178-G306 WeakPolarHBondContact O-CA 3.29Å; V249-G306 PolarHBondContact N-O 3.12Å; V249-G306 PolarHBondContact O-N 2.96Å; V249-G306 VanDerWaalsContact O-N 3.1Å
307	Q	97.8	Very high	96.4	Very high	20 Å²	20	46.9 Å²	46.9	9%	0.093	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	125.8	177.7	179.7	65.1	51.2	0	0	109.3	Q155 M177 R178 F180 D246 G247 I309	Q155-Q307 HydrophobicContact CB-CG 4.43Å; Q155-Q307 HydrophobicContact CG-CB 4.17Å; Q155-Q307 HydrophobicContact CG-CG 4.46Å; M177-Q307 CarbonylContact C-O 3.58Å; M177-Q307 VanDerWaalsContact CA-O 3.25Å; M177-Q307 WeakPolarHBondContact CA-O 3.36Å; M177-Q307 WeakPolarHBondContact CB-O 3.16Å; R178-Q307 PolarHBondContact N-O 2.79Å; R178-Q307 PolarHBondContact O-N 3.39Å; F180-Q307 HydrophobicContact CE2-CB 3.92Å; F180-Q307 HydrophobicContact CZ-CB 3.64Å; D246-Q307 PolarHBondContact O-NE2 2.66Å; G247-Q307 VanDerWaalsContact C-NE2 3.28Å; G247-Q307 PolarHBondContact O-NE2 3.42Å; Q307-I309 PolarHBondContact O-N 3.25Å
308	V	98.4	Very high	96.7	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.9	169.7	179.3	0	0	0	0	109.1	I175 M177 G247 V249 I265 E310 M312	I175-V308 HydrophobicContact CG2-CB 4.35Å; I175-V308 HydrophobicContact CG2-CG1 3.75Å; I175-V308 HydrophobicContact CG2-CG2 3.64Å; M177-V308 HydrophobicContact CB-CG2 4.42Å; G247-V308 WeakPolarHBondContact O-CG2 3.5Å; G247-V308 PolarHBondContact O-N 2.86Å; V249-V308 HydrophobicContact CG2-CG2 4.01Å; I265-V308 HydrophobicContact CD1-CG2 4.25Å; I265-V308 HydrophobicContact CG2-CG2 3.74Å; V308-E310 VanDerWaalsContact CG1-O 3.28Å; V308-E310 WeakPolarHBondContact CG1-O 3.16Å; V308-M312 HydrophobicContact CB-CG 4.31Å; V308-M312 HydrophobicContact CB-SD 3.9Å; V308-M312 HydrophobicContact CG1-CG 3.75Å; V308-M312 HydrophobicContact CG1-SD 3.78Å; V308-M312 HydrophobicContact CG2-SD 4.39Å
309	I	96.6	Very high	96.9	Very high	61 Å²	61	41.6 Å²	41.6	31%	0.313	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-23.3	177.5	60.2	166.3	0	0	0	113	P159 L165 T176 R178 Q307	P159-I309 HydrophobicContact CG-CD1 3.75Å; L165-I309 HydrophobicContact CD1-CD1 3.66Å; L165-I309 HydrophobicContact CD2-CD1 4.01Å; L165-I309 HydrophobicContact CG-CD1 4.5Å; T176-I309 HydrophobicContact CG2-CD1 4.14Å; T176-I309 HydrophobicContact CG2-CG1 4.02Å; T176-I309 WeakPolarHBondContact O-CG1 3.39Å; T176-I309 PolarHBondContact O-N 2.83Å; R178-I309 HydrophobicContact CG-CD1 4.18Å; R178-I309 HydrophobicContact CG-CG2 3.69Å; Q307-I309 PolarHBondContact O-N 3.25Å
310	E	97.2	Very high	97.2	Very high	122 Å²	122	44.4 Å²	44.4	57%	0.57	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.8	173	-57.8	175.4	173.9	0	0	109.1	T176 V308	T176-E310 PolarHBondContact N-O 2.87Å; T176-E310 PolarHBondContact O-N 2.94Å; V308-E310 VanDerWaalsContact CG1-O 3.28Å; V308-E310 WeakPolarHBondContact CG1-O 3.16Å
311	G	98.2	Very high	97.6	Very high	19 Å²	19	43.5 Å²	43.5	20%	0.196	22%	0.218	C	C	.	.			trans	89	15.1	-179.9	0	0	0	0	0	114.8	S313 V314 V315	G311-S313 PolarHBondContact O-N 2.92Å; G311-S313 VanDerWaalsContact O-N 3.16Å; G311-V314 WeakPolarHBondContact O-CA 3.44Å; G311-V314 VanDerWaalsContact O-CB 3.28Å; G311-V314 WeakPolarHBondContact O-CB 3.37Å; G311-V314 PolarHBondContact O-N 3.03Å; G311-V315 PolarHBondContact O-N 2.84Å; G311-V315 VanDerWaalsContact O-N 3.12Å
312	M	98.4	Very high	97.8	Very high	31 Å²	31	42.4 Å²	42.4	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-17.8	172.7	-82.8	-57.2	-60.7	0	0	113.8	D246 G247 V308 V315 R316	D246-M312 WeakPolarHBondContact OD1-CE 3.1Å; D246-M312 WeakPolarHBondContact OD2-CE 3.47Å; G247-M312 VanDerWaalsContact CA-SD 3.53Å; V308-M312 HydrophobicContact CB-CG 4.31Å; V308-M312 HydrophobicContact CB-SD 3.9Å; V308-M312 HydrophobicContact CG1-CG 3.75Å; V308-M312 HydrophobicContact CG1-SD 3.78Å; V308-M312 HydrophobicContact CG2-SD 4.39Å; M312-V315 HydrophobicContact CE-CB 4.27Å; M312-V315 HydrophobicContact CE-CG1 4.15Å; M312-V315 HydrophobicContact SD-CB 4.12Å; M312-V315 HydrophobicContact SD-CG1 4.32Å; M312-V315 HydrophobicContact SD-CG2 3.96Å; M312-R316 VanDerWaalsContact O-CG 3.28Å; M312-R316 WeakPolarHBondContact O-CG 3.26Å; M312-R316 PolarHBondContact O-N 2.92Å; M312-R316 PolarHBondContact O-NH1 3.48Å
313	S	98.4	Very high	97.9	Very high	89 Å²	89	41.3 Å²	41.3	62%	0.622	22%	0.221	S	C	*	.	H	α-helix	trans	-70	-36	167.9	54.2	0	0	0	0	112.1	G311 R316 E317	G311-S313 PolarHBondContact O-N 2.92Å; G311-S313 VanDerWaalsContact O-N 3.16Å; S313-R316 PolarHBondContact O-N 3.4Å; S313-E317 PolarHBondContact O-N 3.08Å
314	V	98.7	Very high	97.9	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-43.5	175.2	-177.1	0	0	0	0	109.9	A172 I175 G311 R316 E317 I318	A172-V314 HydrophobicContact CB-CG1 3.84Å; I175-V314 HydrophobicContact CD1-CG1 4.32Å; I175-V314 HydrophobicContact CG1-CB 4.06Å; I175-V314 HydrophobicContact CG1-CG1 4.03Å; G311-V314 WeakPolarHBondContact O-CA 3.44Å; G311-V314 VanDerWaalsContact O-CB 3.28Å; G311-V314 WeakPolarHBondContact O-CB 3.37Å; G311-V314 PolarHBondContact O-N 3.03Å; V314-R316 VanDerWaalsContact C-N 3.27Å; V314-R316 PolarHBondContact O-N 2.83Å; V314-E317 WeakPolarHBondContact O-CB 3.06Å; V314-E317 PolarHBondContact O-N 2.98Å; V314-I318 HydrophobicContact CG1-CD1 4.01Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.38Å; V314-I318 PolarHBondContact O-N 3.05Å
315	V	98.7	Very high	97.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.4	-45.4	174.1	177.1	0	0	0	0	110.9	I175 I214 I265 E267 G311 M312 I318 A319	I175-V315 HydrophobicContact CD1-CG2 3.73Å; I175-V315 HydrophobicContact CG1-CG2 4Å; I175-V315 HydrophobicContact CG2-CG2 4.2Å; I214-V315 HydrophobicContact CD1-CB 4.29Å; I214-V315 HydrophobicContact CD1-CG1 3.83Å; I214-V315 HydrophobicContact CD1-CG2 4.35Å; I214-V315 HydrophobicContact CG1-CG1 4.19Å; I265-V315 HydrophobicContact CD1-CG2 4.45Å; I265-V315 HydrophobicContact CG2-CG1 3.98Å; I265-V315 HydrophobicContact CG2-CG2 4.15Å; E267-V315 HydrophobicContact CB-CG1 3.89Å; E267-V315 HydrophobicContact CG-CG1 3.84Å; G311-V315 PolarHBondContact O-N 2.84Å; G311-V315 VanDerWaalsContact O-N 3.12Å; M312-V315 HydrophobicContact CE-CB 4.27Å; M312-V315 HydrophobicContact CE-CG1 4.15Å; M312-V315 HydrophobicContact SD-CB 4.12Å; M312-V315 HydrophobicContact SD-CG1 4.32Å; M312-V315 HydrophobicContact SD-CG2 3.96Å; V315-I318 PolarHBondContact O-N 2.96Å; V315-A319 WeakPolarHBondContact O-CB 3.43Å; V315-A319 PolarHBondContact O-N 3.03Å
316	R	98.3	Very high	97.8	Very high	79 Å²	79	57.7 Å²	57.7	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-40.8	177.5	-75.6	175	178.1	98.1	9.2	113.4	D246 E267 M312 S313 V314 I318 A319 S320	D246-R316 IonicContact OD1-NH2 2.67Å; D246-R316 IonicContact OD2-CZ 2.62Å; D246-R316 IonicContact OD2-NH2 3.8Å; D246-R316 PolarHBondContact OD2-NH2 3.05Å; E267-R316 HydrophobicContact CG-CG 4.05Å; E267-R316 WeakPolarHBondContact OE1-CG 3.37Å; E267-R316 IonicContact OE1-NE 3.59Å; M312-R316 VanDerWaalsContact O-CG 3.28Å; M312-R316 WeakPolarHBondContact O-CG 3.26Å; M312-R316 PolarHBondContact O-N 2.92Å; M312-R316 PolarHBondContact O-NH1 3.48Å; S313-R316 PolarHBondContact O-N 3.4Å; V314-R316 VanDerWaalsContact C-N 3.27Å; V314-R316 PolarHBondContact O-N 2.83Å; R316-I318 VanDerWaalsContact C-N 3.32Å; R316-A319 PolarHBondContact O-N 3.11Å; R316-S320 VanDerWaalsContact O-CB 3.28Å; R316-S320 WeakPolarHBondContact O-CB 3.23Å; R316-S320 PolarHBondContact O-N 3.07Å; R316-S320 PolarHBondContact O-OG 2.89Å
317	E	98	Very high	97.8	Very high	105 Å²	105	60.7 Å²	60.7	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-47.3	175.1	-175.3	175.6	158.1	0	0	110.4	A172 S313 V314 A319 S320	A172-E317 HydrophobicContact CB-CG 4.5Å; S313-E317 PolarHBondContact O-N 3.08Å; V314-E317 WeakPolarHBondContact O-CB 3.06Å; V314-E317 PolarHBondContact O-N 2.98Å; E317-A319 PolarHBondContact O-N 2.98Å; E317-S320 PolarHBondContact O-N 3.39Å; E317-S320 PolarHBondContact O-OG 2.9Å
318	I	98.4	Very high	97.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-45.2	176.5	-63	165.6	0	0	0	111.1	A172 I175 F205 V208 I214 V314 V315 R316 S320 Q321 I333	A172-I318 HydrophobicContact CB-CG1 4.35Å; I175-I318 HydrophobicContact CD1-CD1 4.25Å; F205-I318 HydrophobicContact CB-CG2 3.95Å; F205-I318 HydrophobicContact CD2-CD1 3.85Å; F205-I318 HydrophobicContact CD2-CG2 4.04Å; F205-I318 HydrophobicContact CE2-CD1 3.78Å; F205-I318 HydrophobicContact CG-CG2 4.1Å; V208-I318 HydrophobicContact CG1-CG2 3.85Å; I214-I318 HydrophobicContact CB-CG2 4.12Å; I214-I318 HydrophobicContact CD1-CB 4.14Å; I214-I318 HydrophobicContact CD1-CD1 4.07Å; I214-I318 HydrophobicContact CD1-CG2 3.98Å; I214-I318 HydrophobicContact CG2-CB 4.25Å; I214-I318 HydrophobicContact CG2-CG2 3.78Å; V314-I318 HydrophobicContact CG1-CD1 4.01Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.38Å; V314-I318 PolarHBondContact O-N 3.05Å; V315-I318 PolarHBondContact O-N 2.96Å; R316-I318 VanDerWaalsContact C-N 3.32Å; I318-S320 PolarHBondContact O-N 3.02Å; I318-Q321 WeakPolarHBondContact O-CG 3.21Å; I318-Q321 PolarHBondContact O-N 3.39Å; I318-Q321 PolarHBondContact O-NE2 3.11Å; I318-I333 HydrophobicContact CD1-CG2 3.99Å; I318-I333 HydrophobicContact CG1-CB 4.06Å; I318-I333 HydrophobicContact CG1-CG1 4.14Å; I318-I333 HydrophobicContact CG1-CG2 3.9Å
319	A	98.2	Very high	97.7	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-22.4	-180	0	0	0	0	0	113.7	I214 E267 V315 R316 E317 Q321	I214-A319 HydrophobicContact CG2-CB 3.66Å; E267-A319 HydrophobicContact CB-CB 4.18Å; E267-A319 HydrophobicContact CG-CB 3.7Å; E267-A319 WeakPolarHBondContact OE2-CB 3.46Å; V315-A319 WeakPolarHBondContact O-CB 3.43Å; V315-A319 PolarHBondContact O-N 3.03Å; R316-A319 PolarHBondContact O-N 3.11Å; E317-A319 PolarHBondContact O-N 2.98Å; A319-Q321 VanDerWaalsContact C-N 3.33Å
320	S	97.3	Very high	97.8	Very high	81 Å²	81	62.6 Å²	62.6	57%	0.566	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.6	-177.5	73.6	0	0	0	0	114.8	R316 E317 I318	R316-S320 VanDerWaalsContact O-CB 3.28Å; R316-S320 WeakPolarHBondContact O-CB 3.23Å; R316-S320 PolarHBondContact O-N 3.07Å; R316-S320 PolarHBondContact O-OG 2.89Å; E317-S320 PolarHBondContact O-N 3.39Å; E317-S320 PolarHBondContact O-OG 2.9Å; I318-S320 PolarHBondContact O-N 3.02Å
321	Q	97.8	Very high	97.8	Very high	36 Å²	36	62.9 Å²	62.9	17%	0.168	35%	0.345	C	S	.	.	S	Bend	trans	-64	146.4	179.9	-68.2	174.7	86.4	0	0	111.7	V208 I318 A319 P329 N331	V208-Q321 HydrophobicContact CG2-CB 4.37Å; I318-Q321 WeakPolarHBondContact O-CG 3.21Å; I318-Q321 PolarHBondContact O-N 3.39Å; I318-Q321 PolarHBondContact O-NE2 3.11Å; A319-Q321 VanDerWaalsContact C-N 3.33Å; Q321-P329 HydrophobicContact CB-CB 3.97Å; Q321-N331 PolarHBondContact OE1-O 2.97Å
322	E	97.8	Very high	97.7	Very high	147 Å²	147	64.8 Å²	64.8	69%	0.687	35%	0.354	S	S	*	.			trans	-66.4	137.2	168.7	-171	176.7	-171.1	0	0	109.8	P329 L330	E322-P329 CarbonylContact O-C 3.53Å; E322-P329 WeakPolarHBondContact O-CA 3.45Å; E322-L330 HydrophobicContact CB-CD1 4.13Å; E322-L330 HydrophobicContact CB-CG 4.49Å; E322-L330 HydrophobicContact CG-CD1 3.67Å; E322-L330 HydrophobicContact CG-CG 4.33Å; E322-L330 PolarHBondContact O-N 3.13Å
323	T	98.1	Very high	97.7	Very high	49 Å²	49	64.6 Å²	64.6	30%	0.301	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-120	160	-176.8	59.7	0	0	0	0	112.6	V208 A328	V208-T323 HydrophobicContact CG2-CG2 3.37Å; V208-T323 WeakPolarHBondContact O-CG2 3.36Å; T323-A328 CarbonylContact C-O 3.59Å; T323-A328 WeakPolarHBondContact CA-O 3.42Å; T323-A328 WeakPolarHBondContact CB-O 3.31Å
324	D	97.4	Very high	97.6	Very high	65 Å²	65	65 Å²	65	35%	0.348	34%	0.344	S	S	.	.			trans	-77.1	-176.2	163.2	75.2	4	0	0	0	112.1	N326 D327 A328 L330	D324-N326 PolarHBondContact O-N 2.94Å; D324-N326 VanDerWaalsContact O-N 3.15Å; D324-N326 WeakPolarHBondContact OD1-CA 3.34Å; D324-N326 WeakPolarHBondContact OD1-CB 3.33Å; D324-N326 PolarHBondContact OD1-N 3.31Å; D324-D327 PolarHBondContact O-N 3.04Å; D324-D327 PolarHBondContact OD1-N 2.99Å; D324-A328 PolarHBondContact N-O 3.44Å; D324-A328 WeakPolarHBondContact OD1-CB 3.28Å; D324-A328 PolarHBondContact OD1-N 2.96Å; D324-L330 HydrophobicContact CB-CD2 4.29Å
325	D	96.8	Very high	97.6	Very high	167 Å²	167	64.4 Å²	64.4	89%	0.893	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.9	-180	-67.6	-25	0	0	0	114.1
326	N	95.4	Very high	97.6	Very high	117 Å²	117	69 Å²	69	63%	0.626	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	14.9	177.7	-58.2	-65.1	0	0	0	112.5	D324 A328	D324-N326 PolarHBondContact O-N 2.94Å; D324-N326 VanDerWaalsContact O-N 3.15Å; D324-N326 WeakPolarHBondContact OD1-CA 3.34Å; D324-N326 WeakPolarHBondContact OD1-CB 3.33Å; D324-N326 PolarHBondContact OD1-N 3.31Å; N326-A328 PolarHBondContact O-N 3.24Å
327	D	97.6	Very high	97.6	Very high	63 Å²	63	72.3 Å²	72.3	34%	0.337	37%	0.374	S	S	.	.	S	Bend	trans	63.3	19.1	-175.8	-53.5	-54.7	0	0	0	113.2	R207 V208 I209 D324	R207-D327 CarbonylContact C-O 3.54Å; R207-D327 WeakPolarHBondContact CA-O 3.33Å; R207-D327 HydrophobicContact CG-CB 3.76Å; V208-D327 PolarHBondContact N-O 3.24Å; I209-D327 HydrophobicContact CD1-CB 4.22Å; I209-D327 HydrophobicContact CG1-CB 3.75Å; D324-D327 PolarHBondContact O-N 3.04Å; D324-D327 PolarHBondContact OD1-N 2.99Å
328	A	97.3	Very high	97.7	Very high	29 Å²	29	67.7 Å²	67.7	24%	0.24	35%	0.353	C	S	.	.			trans	-86.3	129.2	176.5	0	0	0	0	0	110.3	A206 T323 D324 N326	A206-A328 WeakPolarHBondContact O-CA 3.47Å; A206-A328 WeakPolarHBondContact O-CB 3.32Å; T323-A328 CarbonylContact C-O 3.59Å; T323-A328 WeakPolarHBondContact CA-O 3.42Å; T323-A328 WeakPolarHBondContact CB-O 3.31Å; D324-A328 PolarHBondContact N-O 3.44Å; D324-A328 WeakPolarHBondContact OD1-CB 3.28Å; D324-A328 PolarHBondContact OD1-N 2.96Å; N326-A328 PolarHBondContact O-N 3.24Å
329	P	97.7	Very high	97.6	Very high	8 Å²	8	69.3 Å²	69.3	5%	0.052	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-65.4	139.5	-178.1	24.6	-31.8	0	0	0	111.9	F205 V208 Q321 E322 N331 P332	F205-P329 WeakPolarHBondContact O-CG 3.43Å; V208-P329 HydrophobicContact CG1-CG 4.26Å; V208-P329 HydrophobicContact CG2-CB 3.94Å; V208-P329 HydrophobicContact CG2-CG 4.23Å; Q321-P329 HydrophobicContact CB-CB 3.97Å; E322-P329 CarbonylContact O-C 3.53Å; E322-P329 WeakPolarHBondContact O-CA 3.45Å; P329-N331 PolarHBondContact O-N 3.46Å; P329-P332 HydrophobicContact CG-CB 4Å; P329-P332 HydrophobicContact CG-CG 4.17Å; P329-P332 WeakPolarHBondContact O-CD 3.25Å; P329-P332 VanDerWaalsContact O-CG 3.3Å; P329-P332 WeakPolarHBondContact O-CG 3.28Å
330	L	97.7	Very high	97.6	Very high	91 Å²	91	71.4 Å²	71.4	48%	0.476	37%	0.371	S	S	.	.	S	Bend	trans	-67.7	-24.9	178.2	-61.6	-176	0	0	0	113	E322 D324	E322-L330 HydrophobicContact CB-CD1 4.13Å; E322-L330 HydrophobicContact CB-CG 4.49Å; E322-L330 HydrophobicContact CG-CD1 3.67Å; E322-L330 HydrophobicContact CG-CG 4.33Å; E322-L330 PolarHBondContact O-N 3.13Å; D324-L330 HydrophobicContact CB-CD2 4.29Å
331	N	96.9	Very high	97.4	Very high	128 Å²	128	74.1 Å²	74.1	68%	0.684	37%	0.373	S	S	*	.	S	Bend	trans	-127.9	66.1	178	-63.6	-77.4	0	0	0	111.5	Q321 P329 I333	Q321-N331 PolarHBondContact OE1-O 2.97Å; P329-N331 PolarHBondContact O-N 3.46Å; N331-I333 PolarHBondContact O-N 3.17Å
332	P	96.4	Very high	97.1	Very high	59 Å²	59	79.9 Å²	79.9	38%	0.383	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.1	123.8	-165.5	-20.7	28	0	0	0	114.7	P204 P329	P204-P332 HydrophobicContact CB-CB 3.57Å; P204-P332 HydrophobicContact CG-CB 4.46Å; P329-P332 HydrophobicContact CG-CB 4Å; P329-P332 HydrophobicContact CG-CG 4.17Å; P329-P332 WeakPolarHBondContact O-CD 3.25Å; P329-P332 VanDerWaalsContact O-CG 3.3Å; P329-P332 WeakPolarHBondContact O-CG 3.28Å
333	I	98	Very high	96.1	Very high	28 Å²	28	75.5 Å²	75.5	14%	0.144	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-71.9	125.8	168.5	-63.2	-61.8	0	0	0	110.1	D171 A172 P204 F205 I318 N331	D171-I333 HydrophobicContact CB-CD1 4.05Å; D171-I333 HydrophobicContact CB-CG2 4.21Å; A172-I333 HydrophobicContact CB-CD1 4.12Å; A172-I333 HydrophobicContact CB-CG1 4.33Å; A172-I333 HydrophobicContact CB-CG2 4.07Å; P204-I333 WeakPolarHBondContact CA-O 3.18Å; F205-I333 PolarHBondContact N-O 3.11Å; F205-I333 VanDerWaalsContact N-O 3.1Å; I318-I333 HydrophobicContact CD1-CG2 3.99Å; I318-I333 HydrophobicContact CG1-CB 4.06Å; I318-I333 HydrophobicContact CG1-CG1 4.14Å; I318-I333 HydrophobicContact CG1-CG2 3.9Å; N331-I333 PolarHBondContact O-N 3.17Å
334	K	98.2	Very high	94.5	Very high	98 Å²	98	84 Å²	84	43%	0.426	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-96.4	147.3	-179.2	-61.5	178.2	179	-175.3	0	112.2	T170 D171 T203 P204 Q336	T170-K334 WeakPolarHBondContact CA-O 3.39Å; T170-K334 WeakPolarHBondContact CB-O 3.3Å; D171-K334 PolarHBondContact N-O 3.02Å; D171-K334 WeakPolarHBondContact OD2-CB 3.43Å; D171-K334 PolarHBondContact OD2-N 2.99Å; T203-K334 WeakPolarHBondContact O-CA 3.5Å; P204-K334 HydrophobicContact CB-CG 4.44Å; K334-Q336 PolarHBondContact O-N 3.31Å
335	I	98.6	Very high	92.4	Very high	0 Å²	0	89 Å²	89	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	115.6	163.6	-60.4	168.9	0	0	0	106.5	I168 E169 G202 T203 F205 F263 I338	I168-I335 HydrophobicContact CG2-CD1 4.49Å; I168-I335 HydrophobicContact CG2-CG1 4.08Å; I168-I335 HydrophobicContact CG2-CG2 3.94Å; E169-I335 CarbonylContact O-C 3.36Å; G202-I335 WeakPolarHBondContact CA-O 3.4Å; G202-I335 PolarHBondContact N-O 2.85Å; T203-I335 PolarHBondContact O-N 3.27Å; F205-I335 HydrophobicContact CD2-CG1 4.46Å; F205-I335 HydrophobicContact CE2-CD1 4.44Å; F205-I335 HydrophobicContact CE2-CG1 3.95Å; F205-I335 HydrophobicContact CZ-CD1 4.31Å; F205-I335 HydrophobicContact CZ-CG1 4.25Å; F263-I335 HydrophobicContact CE1-CD1 4.28Å; F263-I335 HydrophobicContact CZ-CD1 3.89Å; I335-I338 HydrophobicContact CG2-CD1 4.2Å; I335-I338 HydrophobicContact CG2-CG1 3.77Å
336	Q	98.4	Very high	90.3	Very high	96 Å²	96	88 Å²	88	45%	0.449	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-43.5	176.7	-66.7	-58.6	-38.1	0	0	111	E169 D171 K334	E169-Q336 HydrophobicContact CB-CB 4.48Å; E169-Q336 PolarHBondContact O-N 2.78Å; D171-Q336 PolarHBondContact OD1-NE2 3.5Å; K334-Q336 PolarHBondContact O-N 3.31Å
337	R	98.2	Very high	87.5	Confident	148 Å²	148	95.4 Å²	95.4	56%	0.558	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.6	148.5	-179.8	-163.6	176.4	180	174.1	1.6	111.8	E169 D201 T339	E169-R337 PolarHBondContact N-O 3.44Å; E169-R337 PolarHBondContact O-N 2.89Å; D201-R337 WeakPolarHBondContact OD1-CA 3.3Å; R337-T339 HydrophobicContact CG-CG2 3.91Å
338	I	98.6	Very high	87	Confident	9 Å²	9	97.1 Å²	97.1	5%	0.046	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125	166.4	-58	178.9	0	0	0	110.7	C166 L167 I168 W191 A195 Y200 D201 I335 F340	C166-I338 WeakPolarHBondContact SG-CG2 3.2Å; L167-I338 WeakPolarHBondContact O-CA 3.45Å; I168-I338 HydrophobicContact CG1-CG1 4.31Å; I168-I338 HydrophobicContact CG2-CG1 4.29Å; W191-I338 HydrophobicContact CH2-CD1 3.89Å; W191-I338 HydrophobicContact CH2-CG2 3.72Å; W191-I338 HydrophobicContact CZ2-CD1 3.72Å; W191-I338 HydrophobicContact CZ3-CG2 4.15Å; A195-I338 HydrophobicContact CB-CB 4Å; A195-I338 HydrophobicContact CB-CD1 4.06Å; A195-I338 HydrophobicContact CB-CG2 3.79Å; Y200-I338 HydrophobicContact CD2-CD1 3.73Å; Y200-I338 HydrophobicContact CG-CD1 4.04Å; D201-I338 PolarHBondContact OD1-N 2.62Å; I335-I338 HydrophobicContact CG2-CD1 4.2Å; I335-I338 HydrophobicContact CG2-CG1 3.77Å; I338-F340 HydrophobicContact CG2-CE2 4.2Å; I338-F340 HydrophobicContact CG2-CZ 4.13Å
339	T	98	Very high	86.4	Confident	34 Å²	34	100.6 Å²	100.6	21%	0.209	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.5	179.6	66.3	0	0	0	0	112.8	C166 L167 R337	C166-T339 CarbonylContact C-O 3.12Å; C166-T339 WeakPolarHBondContact CA-O 3.46Å; L167-T339 PolarHBondContact N-O 3.04Å; L167-T339 PolarHBondContact O-N 3.32Å; R337-T339 HydrophobicContact CG-CG2 3.91Å
340	F	97	Very high	85.8	Confident	46 Å²	46	105.8 Å²	105.8	20%	0.202	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.9	-178.9	-60.8	-90.1	0	0	0	109.8	E164 L165 C166 W191 R192 A195 K196 I338	E164-F340 HydrophobicContact CG-CB 4.12Å; E164-F340 WeakPolarHBondContact OE1-CB 3.2Å; L165-F340 CarbonylContact O-C 3.39Å; L165-F340 VanDerWaalsContact O-CA 3.31Å; L165-F340 WeakPolarHBondContact O-CA 3.43Å; C166-F340 HydrophobicContact CB-CD1 4.14Å; C166-F340 HydrophobicContact CB-CE1 3.94Å; W191-F340 HydrophobicContact CZ3-CE1 4.24Å; W191-F340 AromaticContact CZ3-CZ 3.99Å; W191-F340 HydrophobicContact CZ3-CZ 3.99Å; R192-F340 HydrophobicContact CB-CE1 4.26Å; R192-F340 HydrophobicContact CB-CZ 4Å; R192-F340 HydrophobicContact CG-CD1 4.46Å; R192-F340 HydrophobicContact CG-CE1 3.77Å; R192-F340 HydrophobicContact CG-CE2 3.97Å; R192-F340 HydrophobicContact CG-CZ 3.52Å; A195-F340 HydrophobicContact CB-CE2 4.25Å; A195-F340 HydrophobicContact CB-CZ 4.17Å; K196-F340 HydrophobicContact CG-CD2 4.26Å; K196-F340 HydrophobicContact CG-CE2 3.92Å; I338-F340 HydrophobicContact CG2-CE2 4.2Å; I338-F340 HydrophobicContact CG2-CZ 4.13Å
341	K	94	Very high	85.1	Confident	138 Å²	138	106.6 Å²	106.6	60%	0.6	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	132.3	-173.9	-175	-180	178.8	-177.3	0	111.2	L165 L167	L165-K341 PolarHBondContact N-O 3.27Å; L165-K341 PolarHBondContact O-N 3.16Å; L167-K341 HydrophobicContact CD1-CB 4.05Å
342	R	91.7	Very high	84.4	Confident	158 Å²	158	105.3 Å²	105.3	60%	0.596	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.6	170.5	-66.9	-176.8	-179.5	-147.8	0.3	110.6	E164 R344	E164-R342 HydrophobicContact CB-CG 3.89Å; E164-R342 HydrophobicContact CG-CG 4.11Å; E164-R342 IonicContact OE2-CZ 3.12Å; E164-R342 IonicContact OE2-NE 3.6Å; E164-R342 PolarHBondContact OE2-NE 3.48Å; E164-R342 IonicContact OE2-NH2 2.89Å; R342-R344 PolarHBondContact O-N 3.19Å
343	I	75.5	Confident	83.6	Confident	55 Å²	55	108.4 Å²	108.4	28%	0.282	47%	0.47	S	S	.	.			trans	-73.5	113.3	169.6	-60.8	-176.5	0	0	0	108.1	N162 E163 L165 I346	N162-I343 WeakPolarHBondContact CA-O 3.34Å; N162-I343 PolarHBondContact N-O 3.02Å; E163-I343 PolarHBondContact O-N 3.46Å; L165-I343 HydrophobicContact CD1-CD1 3.22Å; L165-I343 HydrophobicContact CD1-CG1 3.68Å; L165-I343 HydrophobicContact CG-CD1 4.13Å; L165-I343 HydrophobicContact CG-CG1 4.22Å; I343-I346 HydrophobicContact CG2-CG1 4.22Å
344	R	65.1	Low	82.5	Confident	227 Å²	227	114.1 Å²	114.1	86%	0.857	49%	0.493	S	S	*	.			trans	-74.3	124.6	162.3	-68	-174.6	-179.9	-176.4	0.5	107	R342	R342-R344 PolarHBondContact O-N 3.19Å
345	K	53.4	Low	81.3	Confident	170 Å²	170	115.4 Å²	115.4	74%	0.739	50%	0.498	S	S	*	.			trans	-1.6	117.1	-177.8	-76.8	-174.4	174.7	-177	0	115	K347	K345-K347 PolarHBondContact O-N 3.17Å; K345-K347 VanDerWaalsContact O-N 3.16Å
346	I	52.2	Low	79.9	Confident	147 Å²	147	125 Å²	125	75%	0.754	54%	0.54	S	S	*	.			trans	-54.3	120.9	156.4	-57.8	169.7	0	0	0	105.7	I343	I343-I346 HydrophobicContact CG2-CG1 4.22Å
347	K	36.6	Very low	78.2	Confident	272 Å²	272	127.6 Å²	127.6	100%	1.183	55%	0.548	S	S	*	.			trans	-61.1	0	-177.7	-96.4	-175.4	175	-179.5	0	111.7	K345	K345-K347 PolarHBondContact O-N 3.17Å; K345-K347 VanDerWaalsContact O-N 3.16Å

Retrieved 347 of 347 residues in 230.5 ms (Link to these results)

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