A0A087X1U0_HUMAN Loading...

Tryptase beta 2

AlphaFold DB , UniProt , Accession A0A087X1U0, Species HUMAN (Homo sapiens, Human), Gene TPSB2, Length 292 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	44.2	Very low	47.2	Very low	243 Å²	243	154.5 Å²	154.5	100%	1.197	85%	0.853	S	S	*	*				0	88.3	0	-66.4	-81.5	-169.4	0	0	107.2
2	L	43.8	Very low	47.5	Very low	168 Å²	168	155.1 Å²	155.1	88%	0.88	85%	0.852	S	S	*	*			trans	-96.3	97.5	-174.9	-169.7	75.7	0	0	0	107.5
3	N	42.1	Very low	47.8	Very low	157 Å²	157	149.8 Å²	149.8	84%	0.84	84%	0.841	S	S	*	*			trans	-95.4	107.9	178.3	-95.6	-5	0	0	0	110.1	L5	N3-L5 PolarHBondContact O-N 3.25Å
4	L	44.9	Very low	47.9	Very low	150 Å²	150	147.3 Å²	147.3	79%	0.785	84%	0.839	S	S	*	*			trans	-74.9	106.5	172.8	-142.4	82.9	0	0	0	108.5	L6	L4-L6 PolarHBondContact O-N 3.23Å
5	L	49.7	Very low	48	Very low	165 Å²	165	151.5 Å²	151.5	86%	0.864	84%	0.836	S	S	*	*			trans	-86.2	101.2	171.4	-92.4	148.6	0	0	0	109	N3 L7	N3-L5 PolarHBondContact O-N 3.25Å; L5-L7 PolarHBondContact O-N 3.34Å
6	L	48.3	Very low	48.1	Very low	159 Å²	159	148.1 Å²	148.1	83%	0.832	83%	0.833	S	S	*	*			trans	-70.4	110.4	169.3	-89.2	141.3	0	0	0	109.6	L4 A8	L4-L6 PolarHBondContact O-N 3.23Å; L6-A8 PolarHBondContact O-N 3.43Å
7	L	49.3	Very low	48.1	Very low	164 Å²	164	151.2 Å²	151.2	86%	0.859	83%	0.831	S	S	*	*			trans	-75.6	101.6	167.2	-88.8	151.1	0	0	0	109.3	L5 L9	L5-L7 PolarHBondContact O-N 3.34Å; L7-L9 PolarHBondContact O-N 2.91Å
8	A	49.5	Very low	48.4	Very low	97 Å²	97	148 Å²	148	80%	0.802	83%	0.827	S	S	*	*			trans	-82.3	104.9	166	0	0	0	0	0	109.2	L6	L6-A8 PolarHBondContact O-N 3.43Å
9	L	48.7	Very low	48.5	Very low	153 Å²	153	144.6 Å²	144.6	80%	0.801	82%	0.82	S	S	*	*			trans	-76.3	121.3	168	-89.1	149.7	0	0	0	109	L7 V11	L7-L9 PolarHBondContact O-N 2.91Å; L9-V11 PolarHBondContact O-N 2.99Å
10	P	47.8	Very low	48.4	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	82%	0.818	S	S	*	*			trans	-73.1	115.5	170.8	29	-29.9	0	0	0	108.7	L12	P10-L12 PolarHBondContact O-N 3.12Å
11	V	51.2	Low	48.4	Very low	135 Å²	135	140.7 Å²	140.7	82%	0.818	81%	0.813	S	S	*	*			trans	-68.4	101.5	166.9	178.2	0	0	0	0	107.2	L9 A13	L9-V11 PolarHBondContact O-N 2.99Å; V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 3.15Å
12	L	50.2	Low	48.4	Very low	161 Å²	161	135 Å²	135	84%	0.843	80%	0.795	S	S	*	*			trans	-69.4	91.9	165.7	-81.3	160.7	0	0	0	107.9	P10 S14	P10-L12 PolarHBondContact O-N 3.12Å; L12-S14 PolarHBondContact O-N 2.77Å
13	A	52.2	Low	48.2	Very low	86 Å²	86	130.2 Å²	130.2	71%	0.711	79%	0.785	S	S	*	*			trans	-68.3	98.3	166.9	0	0	0	0	0	108.4	V11 R15	V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 3.15Å; A13-R15 PolarHBondContact O-N 2.99Å
14	S	49	Very low	48.2	Very low	115 Å²	115	132 Å²	132	80%	0.804	79%	0.788	S	S	*	*			trans	-60.4	107.7	167.8	-61.8	0	0	0	0	108.5	L12 A16	L12-S14 PolarHBondContact O-N 2.77Å; S14-A16 VanDerWaalsContact C-N 3.31Å; S14-A16 PolarHBondContact O-N 3.23Å
15	R	48.9	Very low	47.8	Very low	211 Å²	211	129.1 Å²	129.1	80%	0.796	79%	0.787	S	S	*	*			trans	-64.4	99.1	162.3	-79.1	-173.6	174.5	176.4	-0.4	106.7	A13 Y17	A13-R15 PolarHBondContact O-N 2.99Å; R15-Y17 VanDerWaalsContact C-N 3.3Å; R15-Y17 PolarHBondContact O-N 3.49Å
16	A	49.9	Very low	47.4	Very low	96 Å²	96	129.1 Å²	129.1	79%	0.793	79%	0.787	S	S	*	*			trans	-62.3	100.1	162.2	0	0	0	0	0	106.6	S14 A18	S14-A16 VanDerWaalsContact C-N 3.31Å; S14-A16 PolarHBondContact O-N 3.23Å; A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 2.75Å
17	Y	47.7	Very low	46.8	Very low	202 Å²	202	129.6 Å²	129.6	79%	0.792	79%	0.785	S	S	*	*			trans	-65.5	99.9	160.6	-81.4	-55.1	0	0	0	106.1	R15 A19	R15-Y17 VanDerWaalsContact C-N 3.3Å; R15-Y17 PolarHBondContact O-N 3.49Å; Y17-A19 PolarHBondContact O-N 3.5Å
18	A	53.1	Low	46.5	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	78%	0.779	S	S	*	*			trans	-57.5	109.9	162.8	0	0	0	0	0	106.2	A16	A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 2.75Å
19	A	51.2	Low	45.7	Very low	83 Å²	83	129 Å²	129	69%	0.686	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-54.1	136.5	167.3	0	0	0	0	0	107.1	Y17 A21	Y17-A19 PolarHBondContact O-N 3.5Å; A19-A21 PolarHBondContact O-N 3.34Å
20	P	45.9	Very low	45.5	Very low	121 Å²	121	121.8 Å²	121.8	79%	0.786	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-54.2	133.8	171.6	-12.3	23.5	0	0	0	107.3
21	A	49.7	Very low	46.3	Very low	86 Å²	86	116.6 Å²	116.6	71%	0.711	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-47	135.1	170.3	0	0	0	0	0	108.1	A19 G23	A19-A21 PolarHBondContact O-N 3.34Å; A21-G23 PolarHBondContact O-N 2.86Å
22	P	43.8	Very low	47.7	Very low	125 Å²	125	110.7 Å²	110.7	81%	0.812	65%	0.649	S	S	*	*			trans	-57.3	108.5	178.2	23.8	-31.7	0	0	0	106.5	Q24	P22-Q24 PolarHBondContact O-N 3.29Å
23	G	38.5	Very low	48.9	Very low	66 Å²	66	105.3 Å²	105.3	68%	0.68	63%	0.632	S	S	*	*			trans	-52.1	131.4	172.7	0	0	0	0	0	106.3	A21 A25	A21-G23 PolarHBondContact O-N 2.86Å; G23-A25 VanDerWaalsContact C-N 3.27Å; G23-A25 PolarHBondContact O-N 2.78Å
24	Q	42.3	Very low	50.5	Low	194 Å²	194	102 Å²	102	91%	0.907	61%	0.606	S	S	*	*			trans	-50.5	98.4	178.1	-72.3	178	-31	0	0	108.1	P22 L26	P22-Q24 PolarHBondContact O-N 3.29Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-L26 PolarHBondContact O-N 2.85Å
25	A	37.8	Very low	52.7	Low	90 Å²	90	102.3 Å²	102.3	74%	0.744	60%	0.595	S	S	*	*			trans	-60.4	105.1	165	0	0	0	0	0	103.5	G23 Q27	G23-A25 VanDerWaalsContact C-N 3.27Å; G23-A25 PolarHBondContact O-N 2.78Å; A25-Q27 PolarHBondContact O-N 3.08Å
26	L	40.2	Very low	55	Low	165 Å²	165	96.7 Å²	96.7	86%	0.864	58%	0.578	S	S	*	*			trans	-49.6	103.4	166.4	-87.4	158.1	0	0	0	105.4	Q24 R28	Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-L26 PolarHBondContact O-N 2.85Å; L26-R28 PolarHBondContact O-N 2.92Å
27	Q	35.9	Very low	57.3	Low	170 Å²	170	92.2 Å²	92.2	79%	0.794	54%	0.541	S	S	*	.			trans	-52	117.9	-175.4	-158.9	169.8	-2.5	0	0	106.1	A25 V29	A25-Q27 PolarHBondContact O-N 3.08Å; Q27-V29 HydrophobicContact CB-CG2 3.88Å; Q27-V29 HydrophobicContact CG-CG2 3.85Å; Q27-V29 WeakPolarHBondContact O-CG2 3.49Å; Q27-V29 PolarHBondContact O-N 3.13Å; Q27-V29 VanDerWaalsContact O-N 3.13Å
28	R	43.7	Very low	59.7	Low	195 Å²	195	85.5 Å²	85.5	74%	0.736	52%	0.522	S	S	*	.			trans	-65.3	113.8	168.7	-68.5	-174.9	-178.6	-166.9	3.3	105.1	L26 D164	L26-R28 PolarHBondContact O-N 2.92Å; R28-D164 IonicContact NH1-OD2 3.77Å; R28-D164 PolarHBondContact NH1-OD2 3.16Å
29	V	33	Very low	61.8	Low	54 Å²	54	87.4 Å²	87.4	33%	0.327	51%	0.509	S	S	.	.			trans	-126.6	139.8	178	-165.8	0	0	0	0	105.3	Q27 K176	Q27-V29 HydrophobicContact CB-CG2 3.88Å; Q27-V29 HydrophobicContact CG-CG2 3.85Å; Q27-V29 WeakPolarHBondContact O-CG2 3.49Å; Q27-V29 PolarHBondContact O-N 3.13Å; Q27-V29 VanDerWaalsContact O-N 3.13Å; V29-K176 HydrophobicContact CG1-CD 4.26Å; V29-K176 PolarHBondContact O-NZ 3.42Å
30	G	43.8	Very low	63.9	Low	0 Å²	0	88.2 Å²	88.2	0%	0	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-169	-158.2	0	0	0	0	0	124.5	K176	G30-K176 VanDerWaalsContact C-CD 3.44Å; G30-K176 WeakPolarHBondContact O-CD 3.02Å; G30-K176 WeakPolarHBondContact O-CE 3.39Å; G30-K176 PolarHBondContact O-NZ 3.26Å
31	I	64.9	Low	66.4	Low	0 Å²	0	86.4 Å²	86.4	0%	0	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	105.9	-134.8	-73.1	-96	0	0	0	105.9	G33 G34 V157 K176 V178 D218 D223	I31-G33 PolarHBondContact O-N 3.26Å; I31-G34 PolarHBondContact O-N 3.08Å; I31-V157 HydrophobicContact CG2-CG1 4.42Å; I31-K176 HydrophobicContact CB-CB 4.02Å; I31-K176 HydrophobicContact CG1-CB 3.71Å; I31-V178 HydrophobicContact CG2-CB 3.4Å; I31-V178 VanDerWaalsContact CG2-CB 3.4Å; I31-V178 HydrophobicContact CG2-CG1 3.07Å; I31-D218 CarbonylContact C-O 3.6Å; I31-D218 WeakPolarHBondContact CG2-O 3.16Å; I31-D223 HydrophobicContact CD1-CB 4.28Å; I31-D223 WeakPolarHBondContact CD1-OD1 3.37Å; I31-D223 WeakPolarHBondContact CD1-OD2 3.48Å
32	V	79	Confident	68.8	Low	12 Å²	12	82.5 Å²	82.5	7%	0.073	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	115.7	-161	-170.5	0	0	0	0	112.1	G34 R216 R217 D218 C220 C248 A249	V32-G34 PolarHBondContact O-N 3.18Å; V32-R216 CarbonylContact C-O 3.55Å; V32-R217 WeakPolarHBondContact O-CA 3.46Å; V32-D218 HydrophobicContact CB-CB 4.37Å; V32-D218 PolarHBondContact N-O 2.99Å; V32-D218 PolarHBondContact O-N 2.04Å; V32-C220 HydrophobicContact CG2-CB 4.48Å; V32-C248 HydrophobicContact CG2-CB 3.83Å; V32-A249 HydrophobicContact CB-CB 3.97Å; V32-A249 HydrophobicContact CG1-CB 3.59Å; V32-A249 HydrophobicContact CG2-CB 4.19Å
33	G	75.9	Confident	71.4	Confident	48 Å²	48	77 Å²	77	50%	0.495	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	20.5	-178.4	0	0	0	0	0	118.1	I31 R216	I31-G33 PolarHBondContact O-N 3.26Å; G33-R216 VanDerWaalsContact CA-O 3.26Å; G33-R216 WeakPolarHBondContact CA-O 3.33Å
34	G	86.2	Confident	74.2	Confident	16 Å²	16	74.4 Å²	74.4	17%	0.165	39%	0.39	C	S	.	.			trans	-91.1	-175.7	174.4	0	0	0	0	0	115	I31 V32 K176 Q177	I31-G34 PolarHBondContact O-N 3.08Å; V32-G34 PolarHBondContact O-N 3.18Å; G34-K176 PolarHBondContact O-NZ 3.21Å; G34-Q177 VanDerWaalsContact CA-O 3.27Å; G34-Q177 WeakPolarHBondContact CA-O 3.45Å
35	Q	94.9	Very high	76.9	Confident	121 Å²	121	65.2 Å²	65.2	57%	0.565	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	165.5	176.4	62.9	177.7	58.2	0	0	110.9	A37 K176 Q177	Q35-A37 PolarHBondContact O-N 3.49Å; Q35-K176 WeakPolarHBondContact O-CA 3.45Å; Q35-K176 VanDerWaalsContact O-CE 3.3Å; Q35-K176 WeakPolarHBondContact O-CE 3.46Å; Q35-Q177 HydrophobicContact CG-CG 4.15Å; Q35-Q177 PolarHBondContact N-O 2.68Å; Q35-Q177 PolarHBondContact O-N 2.92Å
36	E	97.8	Very high	79.8	Confident	94 Å²	94	61 Å²	61	44%	0.439	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	136.2	170.2	176.6	170.4	177.4	0	0	110.4	Q93 H94 P174	E36-Q93 PolarHBondContact OE1-NE2 2.87Å; E36-H94 IonicContact OE1-NE2 2.69Å; E36-P174 HydrophobicContact CB-CB 4.46Å; E36-P174 HydrophobicContact CG-CB 3.84Å
37	A	98.2	Very high	82.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.008	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-78.1	136.9	178.3	0	0	0	0	0	110.9	Q35 Q93 L175 Q177	Q35-A37 PolarHBondContact O-N 3.49Å; A37-Q93 PolarHBondContact O-NE2 3.07Å; A37-Q93 PolarHBondContact O-OE1 3.03Å; A37-L175 HydrophobicContact CB-CB 4.37Å; A37-L175 HydrophobicContact CB-CD2 4.1Å; A37-L175 HydrophobicContact CB-CG 3.98Å; A37-L175 WeakPolarHBondContact CB-O 3.44Å; A37-L175 PolarHBondContact N-O 2.94Å; A37-Q177 VanDerWaalsContact CA-OE1 3.31Å; A37-Q177 HydrophobicContact CB-CB 4.21Å; A37-Q177 HydrophobicContact CB-CG 4.09Å
38	P	97.9	Very high	85.6	Confident	61 Å²	61	45 Å²	45	40%	0.396	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-60.9	148	170.7	-22.2	33	0	0	0	112.1	S40 K41 R91	P38-S40 PolarHBondContact O-N 3.02Å; P38-S40 VanDerWaalsContact O-N 3.08Å; P38-K41 HydrophobicContact CB-CG 4.09Å; P38-K41 HydrophobicContact CG-CG 4.07Å; P38-K41 WeakPolarHBondContact O-CB 3.38Å; P38-K41 PolarHBondContact O-N 2.98Å; P38-R91 PolarHBondContact O-NH2 2.86Å
39	R	97.2	Very high	88.2	Confident	134 Å²	134	35.7 Å²	35.7	51%	0.506	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.4	177.1	-72.3	-176.6	177	-91.2	1.9	114.3	K41 Q93 H136	R39-K41 VanDerWaalsContact C-N 3.31Å; R39-Q93 HydrophobicContact CG-CB 4.25Å; R39-Q93 HydrophobicContact CG-CG 4.09Å; R39-H136 PolarHBondContact O-CE1 3.25Å; R39-H136 PolarHBondContact O-ND1 2.9Å
40	S	96.1	Very high	91.3	Very high	100 Å²	100	35.4 Å²	35.4	70%	0.699	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1	179.4	57.1	0	0	0	0	114.3	P38	P38-S40 PolarHBondContact O-N 3.02Å; P38-S40 VanDerWaalsContact O-N 3.08Å
41	K	98.1	Very high	93.8	Very high	83 Å²	83	42 Å²	42	36%	0.361	22%	0.221	S	C	.	.	S	Bend	trans	-107.2	149.7	-176.7	-68.4	-71.9	-173.4	177.8	0	111.9	P38 R39 R91	P38-K41 HydrophobicContact CB-CG 4.09Å; P38-K41 HydrophobicContact CG-CG 4.07Å; P38-K41 WeakPolarHBondContact O-CB 3.38Å; P38-K41 PolarHBondContact O-N 2.98Å; R39-K41 VanDerWaalsContact C-N 3.31Å; K41-R91 PolarHBondContact O-NE 2.88Å; K41-R91 PolarHBondContact O-NH2 3.18Å
42	W	98.6	Very high	95.1	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.015	25%	0.247	C	C	.	.			trans	60.7	50.8	173.6	-31.7	118.2	0	0	0	114.1	W44 Q45 R91 W156 T158 L175 Q177 V229 W236	W42-W44 HydrophobicContact CE3-CH2 4.43Å; W42-W44 AromaticContact CE3-CZ2 3.69Å; W42-W44 HydrophobicContact CE3-CZ2 3.69Å; W42-W44 HydrophobicContact CZ3-CZ2 4.21Å; W42-W44 PolarHBondContact O-N 3.01Å; W42-Q45 HydrophobicContact CB-CB 4.25Å; W42-Q45 VanDerWaalsContact O-CB 3.31Å; W42-Q45 WeakPolarHBondContact O-CB 3.24Å; W42-Q45 PolarHBondContact O-N 3.39Å; W42-R91 VanDerWaalsContact O-CD 3.28Å; W42-R91 WeakPolarHBondContact O-CD 3.27Å; W42-W156 HydrophobicContact CH2-CB 3.73Å; W42-W156 HydrophobicContact CH2-CD2 4.22Å; W42-W156 AromaticContact CH2-CG 3.73Å; W42-W156 HydrophobicContact CH2-CG 3.73Å; W42-W156 HydrophobicContact CZ2-CB 4.13Å; W42-W156 HydrophobicContact CZ2-CD2 4.19Å; W42-W156 HydrophobicContact CZ2-CE3 4.36Å; W42-W156 HydrophobicContact CZ2-CG 4.11Å; W42-W156 HydrophobicContact CZ3-CB 4.4Å; W42-T158 HydrophobicContact CB-CG2 4.39Å; W42-T158 VanDerWaalsContact CD1-CG2 3.5Å; W42-T158 HydrophobicContact CD2-CG2 3.71Å; W42-T158 HydrophobicContact CE3-CG2 4.49Å; W42-T158 HydrophobicContact CG-CG2 3.61Å; W42-T158 HydrophobicContact CZ2-CG2 4.37Å; W42-L175 HydrophobicContact CB-CD2 4.42Å; W42-Q177 HydrophobicContact CZ2-CB 4.36Å; W42-V229 HydrophobicContact CE3-CG2 4Å; W42-V229 HydrophobicContact CH2-CG2 4.4Å; W42-V229 HydrophobicContact CZ3-CG2 3.58Å; W42-W236 AromaticContact CH2-CH2 3.98Å; W42-W236 HydrophobicContact CH2-CH2 3.98Å; W42-W236 HydrophobicContact CH2-CZ2 4.12Å; W42-W236 HydrophobicContact CH2-CZ3 4.34Å; W42-W236 HydrophobicContact CZ3-CD2 4.26Å; W42-W236 HydrophobicContact CZ3-CE3 4.27Å; W42-W236 HydrophobicContact CZ3-CH2 4.18Å; W42-W236 HydrophobicContact CZ3-CZ2 4.16Å; W42-W236 HydrophobicContact CZ3-CZ3 4.24Å
43	P	98.6	Very high	95.8	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.058	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.2	-175.4	27.8	-34.8	0	0	0	114.4	H136 V137 H138	P43-H136 VanDerWaalsContact CA-O 3.26Å; P43-H136 WeakPolarHBondContact CA-O 3.33Å; P43-H136 WeakPolarHBondContact CB-O 3.3Å; P43-V137 WeakPolarHBondContact O-CA 3.35Å; P43-H138 CarbonylContact C-O 3.54Å; P43-H138 WeakPolarHBondContact CG-CD2 3.35Å; P43-H138 WeakPolarHBondContact CG-CE1 3.3Å; P43-H138 WeakPolarHBondContact CG-NE2 3.42Å; P43-H138 PolarHBondContact O-N 3.22Å; P43-H138 VanDerWaalsContact O-N 3.16Å
44	W	98.9	Very high	96.8	Very high	12 Å²	12	60.7 Å²	60.7	5%	0.045	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-12.9	174.3	47.3	80.9	0	0	0	114	W42 V46 S62 L63 H138 V140 V229 W236	W42-W44 HydrophobicContact CE3-CH2 4.43Å; W42-W44 AromaticContact CE3-CZ2 3.69Å; W42-W44 HydrophobicContact CE3-CZ2 3.69Å; W42-W44 HydrophobicContact CZ3-CZ2 4.21Å; W42-W44 PolarHBondContact O-N 3.01Å; W44-V46 PolarHBondContact O-N 3.42Å; W44-S62 CarbonylContact O-C 3.59Å; W44-S62 WeakPolarHBondContact O-CA 3.06Å; W44-L63 PolarHBondContact O-N 3.43Å; W44-H138 WeakPolarHBondContact CA-O 3.42Å; W44-H138 VanDerWaalsContact CB-O 3.3Å; W44-H138 WeakPolarHBondContact CB-O 3.16Å; W44-H138 AromaticContact CE3-CE1 3.95Å; W44-H138 AromaticContact CZ3-CE1 3.85Å; W44-H138 PolarHBondContact N-O 3.48Å; W44-V140 HydrophobicContact CB-CB 3.79Å; W44-V140 HydrophobicContact CB-CG1 4.29Å; W44-V140 HydrophobicContact CD2-CB 3.58Å; W44-V140 HydrophobicContact CD2-CG2 3.86Å; W44-V140 HydrophobicContact CE3-CB 3.93Å; W44-V140 HydrophobicContact CE3-CG2 4.23Å; W44-V140 HydrophobicContact CG-CB 3.52Å; W44-V140 HydrophobicContact CG-CG1 4.3Å; W44-V140 HydrophobicContact CG-CG2 4.17Å; W44-V140 HydrophobicContact CZ2-CG2 4.23Å; W44-V229 HydrophobicContact CZ2-CB 4.42Å; W44-V229 HydrophobicContact CZ2-CG1 3.99Å; W44-V229 HydrophobicContact CZ2-CG2 4.2Å; W44-W236 HydrophobicContact CH2-CB 3.51Å; W44-W236 AromaticContact CH2-CD1 3.82Å; W44-W236 AromaticContact CH2-CG 3.7Å; W44-W236 HydrophobicContact CH2-CG 3.7Å; W44-W236 HydrophobicContact CZ2-CB 4Å; W44-W236 HydrophobicContact CZ2-CG 4.25Å; W44-W236 HydrophobicContact CZ3-CB 4.38Å
45	Q	98.9	Very high	97.3	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	131.5	-178.2	179	71.3	55.8	0	0	109.6	W42 G61 R91 T158 W160 L175 P227	W42-Q45 HydrophobicContact CB-CB 4.25Å; W42-Q45 VanDerWaalsContact O-CB 3.31Å; W42-Q45 WeakPolarHBondContact O-CB 3.24Å; W42-Q45 PolarHBondContact O-N 3.39Å; Q45-G61 PolarHBondContact NE2-O 3.05Å; Q45-R91 WeakPolarHBondContact O-CA 3.39Å; Q45-R91 WeakPolarHBondContact O-CB 3.32Å; Q45-R91 PolarHBondContact O-N 2.04Å; Q45-T158 PolarHBondContact OE1-O 3.19Å; Q45-T158 PolarHBondContact OE1-OG1 2.79Å; Q45-W160 HydrophobicContact CG-CE3 4.45Å; Q45-W160 HydrophobicContact CG-CH2 3.53Å; Q45-W160 HydrophobicContact CG-CZ2 4.49Å; Q45-W160 HydrophobicContact CG-CZ3 3.5Å; Q45-L175 HydrophobicContact CB-CD2 4.35Å; Q45-L175 HydrophobicContact CG-CD1 3.81Å; Q45-L175 HydrophobicContact CG-CD2 4.15Å; Q45-P227 VanDerWaalsContact OE1-CD 3.31Å
46	V	98.9	Very high	97.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	159.2	170.8	-47.6	0	0	0	0	111	W44 L48 G60 G61 L63 V69 V88 Q89 L90	W44-V46 PolarHBondContact O-N 3.42Å; V46-L48 HydrophobicContact CG2-CD2 4.38Å; V46-G60 WeakPolarHBondContact O-CA 3.29Å; V46-G61 VanDerWaalsContact CG2-C 3.43Å; V46-G61 VanDerWaalsContact CG2-CA 3.48Å; V46-G61 PolarHBondContact N-O 2.76Å; V46-G61 PolarHBondContact O-N 3.03Å; V46-G61 VanDerWaalsContact O-N 3.08Å; V46-L63 HydrophobicContact CG1-CB 4.29Å; V46-V69 HydrophobicContact CG1-CG2 4.32Å; V46-V69 HydrophobicContact CG2-CB 4.48Å; V46-V69 HydrophobicContact CG2-CG1 3.49Å; V46-V69 VanDerWaalsContact CG2-CG1 3.49Å; V46-V69 HydrophobicContact CG2-CG2 4.12Å; V46-V88 HydrophobicContact CB-CG1 4.02Å; V46-V88 HydrophobicContact CG1-CG1 4.36Å; V46-V88 HydrophobicContact CG2-CG1 4.18Å; V46-Q89 CarbonylContact C-O 3.59Å; V46-Q89 VanDerWaalsContact CA-O 3.3Å; V46-Q89 WeakPolarHBondContact CA-O 3.34Å; V46-Q89 WeakPolarHBondContact CB-O 3.35Å; V46-L90 HydrophobicContact CG1-CD2 3.97Å
47	S	98.9	Very high	97.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.2	175	175.6	0	0	0	0	108.5	R49 H57 Q89 L95	S47-R49 WeakPolarHBondContact OG-CD 3.09Å; S47-R49 PolarHBondContact OG-NE 3.28Å; S47-H57 PolarHBondContact OG-ND1 3.31Å; S47-Q89 PolarHBondContact N-O 3.15Å; S47-Q89 PolarHBondContact O-N 2.81Å; S47-L95 WeakPolarHBondContact OG-CD2 3.26Å
48	L	98.8	Very high	97.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.2	170.8	-54.9	-170.2	0	0	0	109.3	V46 F58 C59 T71 C75 L86 V88 L125	V46-L48 HydrophobicContact CG2-CD2 4.38Å; L48-F58 HydrophobicContact CB-CD1 4.33Å; L48-F58 HydrophobicContact CB-CE1 3.63Å; L48-F58 HydrophobicContact CB-CE2 4.49Å; L48-F58 HydrophobicContact CB-CZ 3.73Å; L48-F58 HydrophobicContact CD1-CZ 4.29Å; L48-F58 WeakPolarHBondContact O-CD1 3.46Å; L48-F58 PolarHBondContact O-N 2.98Å; L48-C59 HydrophobicContact CB-CB 4.18Å; L48-C59 WeakPolarHBondContact CB-O 3.4Å; L48-C59 HydrophobicContact CD1-CB 4.01Å; L48-C59 HydrophobicContact CG-CB 4.32Å; L48-C59 PolarHBondContact N-O 3.01Å; L48-T71 HydrophobicContact CD1-CG2 4.03Å; L48-T71 WeakPolarHBondContact CD1-OG1 3.44Å; L48-C75 HydrophobicContact CD1-CB 4.44Å; L48-L86 HydrophobicContact CB-CD1 4.35Å; L48-V88 HydrophobicContact CD2-CG2 3.79Å; L48-L125 HydrophobicContact CD1-CD1 3.94Å; L48-L125 HydrophobicContact CD2-CD1 3.44Å; L48-L125 VanDerWaalsContact CD2-CD1 3.44Å; L48-L125 HydrophobicContact CG-CD1 4.36Å
49	R	98.6	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.8	-175.2	-54.3	-58.2	-165.3	69.4	10.3	110.8	S47 W55 M56 L86 R87 Q89 Y96 D99 L101	S47-R49 WeakPolarHBondContact OG-CD 3.09Å; S47-R49 PolarHBondContact OG-NE 3.28Å; R49-W55 HydrophobicContact CB-CB 4.09Å; R49-W55 HydrophobicContact CB-CE3 4.11Å; R49-W55 WeakPolarHBondContact CD-O 3.48Å; R49-W55 PolarHBondContact NH1-O 2.84Å; R49-M56 CarbonylContact C-O 3.55Å; R49-M56 VanDerWaalsContact CA-O 3.27Å; R49-M56 WeakPolarHBondContact CA-O 3.34Å; R49-L86 WeakPolarHBondContact O-CA 3.48Å; R49-R87 HydrophobicContact CB-CB 4.29Å; R49-R87 PolarHBondContact N-O 3.16Å; R49-R87 PolarHBondContact O-N 3.38Å; R49-Q89 HydrophobicContact CG-CB 4.45Å; R49-Y96 VanDerWaalsContact NH1-CD1 3.32Å; R49-D99 IonicContact CZ-OD1 3.8Å; R49-D99 IonicContact CZ-OD2 2.73Å; R49-D99 IonicContact NH1-OD1 3.72Å; R49-D99 IonicContact NH1-OD2 3.4Å; R49-D99 PolarHBondContact NH1-OD2 3.31Å; R49-D99 VanDerWaalsContact NH2-CG 3.34Å; R49-D99 IonicContact NH2-OD1 3.6Å; R49-D99 PolarHBondContact NH2-OD1 2.93Å; R49-D99 IonicContact NH2-OD2 3.11Å; R49-D99 PolarHBondContact NH2-OD2 2.92Å; R49-L101 HydrophobicContact CG-CD2 3.96Å
50	V	97.4	Very high	97.7	Very high	47 Å²	47	49.6 Å²	49.6	29%	0.285	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.6	173.8	65.9	0	0	0	0	109.9	D52 W55 M56 F58 A85	V50-D52 PolarHBondContact O-N 2.93Å; V50-W55 CarbonylContact O-C 3.58Å; V50-W55 WeakPolarHBondContact O-CA 3.27Å; V50-M56 HydrophobicContact CG1-CB 4.41Å; V50-M56 HydrophobicContact CG1-CE 4.28Å; V50-M56 PolarHBondContact N-O 3.26Å; V50-M56 PolarHBondContact O-N 3.35Å; V50-F58 HydrophobicContact CB-CD1 3.7Å; V50-F58 HydrophobicContact CB-CE1 3.95Å; V50-F58 HydrophobicContact CB-CG 4.47Å; V50-F58 HydrophobicContact CG1-CB 4.36Å; V50-F58 HydrophobicContact CG1-CD1 3.87Å; V50-F58 HydrophobicContact CG1-CG 4.34Å; V50-A85 CarbonylContact C-O 3.5Å; V50-A85 VanDerWaalsContact CA-O 3.3Å; V50-A85 WeakPolarHBondContact CA-O 3.19Å
51	R	95.6	Very high	97.8	Very high	138 Å²	138	44.9 Å²	44.9	52%	0.521	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	113.5	175.4	-173.8	127.8	58.3	88.8	2.1	110.7	W55 A84 A85	R51-W55 HydrophobicContact CB-CE3 4.14Å; R51-W55 HydrophobicContact CB-CH2 3.9Å; R51-W55 HydrophobicContact CB-CZ2 4.4Å; R51-W55 HydrophobicContact CB-CZ3 3.75Å; R51-W55 HydrophobicContact CG-CH2 4.45Å; R51-A84 PolarHBondContact NE-O 2.8Å; R51-A84 PolarHBondContact NH2-O 3.27Å; R51-A85 HydrophobicContact CB-CB 4.37Å; R51-A85 PolarHBondContact N-O 3.02Å
52	D	92.6	Very high	97.8	Very high	101 Å²	101	40.9 Å²	40.9	54%	0.54	18%	0.175	S	C	.	.	S	Bend	trans	-133.2	-142.5	168.6	-168.9	-8.9	0	0	0	108	V50 Y54	V50-D52 PolarHBondContact O-N 2.93Å; D52-Y54 CarbonylContact C-O 3.53Å; D52-Y54 PolarHBondContact N-O 3.25Å; D52-Y54 VanDerWaalsContact N-O 3.08Å; D52-Y54 PolarHBondContact O-N 2.86Å; D52-Y54 VanDerWaalsContact O-N 3.13Å
53	R	94.4	Very high	97.8	Very high	237 Å²	237	40.7 Å²	40.7	89%	0.894	18%	0.175	S	C	*	.	S	Bend	trans	-54.6	-27.2	170.3	-58.8	-173	-169.6	-166.1	2.7	113
54	Y	95.9	Very high	97.9	Very high	116 Å²	116	40.9 Å²	40.9	46%	0.455	18%	0.175	S	C	.	.	S	Bend	trans	-146.2	176.9	168.6	63.6	-79.9	0	0	0	108.2	D52 M56 Y96	D52-Y54 CarbonylContact C-O 3.53Å; D52-Y54 PolarHBondContact N-O 3.25Å; D52-Y54 VanDerWaalsContact N-O 3.08Å; D52-Y54 PolarHBondContact O-N 2.86Å; D52-Y54 VanDerWaalsContact O-N 3.13Å; Y54-M56 VanDerWaalsContact C-N 3.31Å; Y54-M56 HydrophobicContact CD2-CB 4.29Å; Y54-M56 HydrophobicContact CE2-CB 3.8Å; Y54-M56 HydrophobicContact CE2-CG 4.07Å; Y54-M56 PolarHBondContact O-N 3.03Å; Y54-Y96 HydrophobicContact CD2-CD1 4.22Å; Y54-Y96 HydrophobicContact CD2-CE1 4.07Å; Y54-Y96 HydrophobicContact CE2-CD1 4.16Å; Y54-Y96 AromaticContact CE2-CE1 3.68Å; Y54-Y96 HydrophobicContact CE2-CE1 3.68Å; Y54-Y96 HydrophobicContact CE2-CE2 4.2Å; Y54-Y96 AromaticContact CE2-CZ 3.68Å
55	W	98.1	Very high	97.8	Very high	63 Å²	63	42.4 Å²	42.4	24%	0.239	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	81.5	175.2	-74.2	103.9	0	0	0	111	R49 V50 R51 R87 Y96 L101	R49-W55 HydrophobicContact CB-CB 4.09Å; R49-W55 HydrophobicContact CB-CE3 4.11Å; R49-W55 WeakPolarHBondContact CD-O 3.48Å; R49-W55 PolarHBondContact NH1-O 2.84Å; V50-W55 CarbonylContact O-C 3.58Å; V50-W55 WeakPolarHBondContact O-CA 3.27Å; R51-W55 HydrophobicContact CB-CE3 4.14Å; R51-W55 HydrophobicContact CB-CH2 3.9Å; R51-W55 HydrophobicContact CB-CZ2 4.4Å; R51-W55 HydrophobicContact CB-CZ3 3.75Å; R51-W55 HydrophobicContact CG-CH2 4.45Å; W55-R87 HydrophobicContact CD2-CG 4.12Å; W55-R87 HydrophobicContact CE3-CB 4.02Å; W55-R87 HydrophobicContact CE3-CG 3.73Å; W55-R87 HydrophobicContact CH2-CB 4.42Å; W55-R87 HydrophobicContact CH2-CG 3.34Å; W55-R87 HydrophobicContact CZ2-CG 3.75Å; W55-R87 HydrophobicContact CZ3-CB 3.94Å; W55-R87 HydrophobicContact CZ3-CG 3.33Å; W55-Y96 WeakPolarHBondContact O-CE1 3.4Å; W55-L101 HydrophobicContact CB-CD1 3.54Å; W55-L101 HydrophobicContact CD2-CD1 3.72Å; W55-L101 HydrophobicContact CG-CD1 3.19Å
56	M	98.3	Very high	97.8	Very high	55 Å²	55	44.1 Å²	44.1	27%	0.271	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.2	-171.3	-175.3	174.5	67.8	0	0	111.8	R49 V50 Y54	R49-M56 CarbonylContact C-O 3.55Å; R49-M56 VanDerWaalsContact CA-O 3.27Å; R49-M56 WeakPolarHBondContact CA-O 3.34Å; V50-M56 HydrophobicContact CG1-CB 4.41Å; V50-M56 HydrophobicContact CG1-CE 4.28Å; V50-M56 PolarHBondContact N-O 3.26Å; V50-M56 PolarHBondContact O-N 3.35Å; Y54-M56 VanDerWaalsContact C-N 3.31Å; Y54-M56 HydrophobicContact CD2-CB 4.29Å; Y54-M56 HydrophobicContact CE2-CB 3.8Å; Y54-M56 HydrophobicContact CE2-CG 4.07Å; Y54-M56 PolarHBondContact O-N 3.03Å
57	H	98.5	Very high	97.8	Very high	16 Å²	16	46.5 Å²	46.5	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.3	170.5	172.8	65.9	0	0	0	110.9	S47 C59 L95 Y96 G222	S47-H57 PolarHBondContact OG-ND1 3.31Å; H57-C59 PolarHBondContact CE1-O 2.92Å; H57-C59 PolarHBondContact ND1-O 3.27Å; H57-C59 VanDerWaalsContact ND1-O 3.17Å; H57-L95 HydrophobicContact CB-CD1 3.6Å; H57-L95 HydrophobicContact CB-CD2 4.45Å; H57-Y96 WeakPolarHBondContact CB-OH 3.45Å; H57-Y96 PolarHBondContact N-OH 2.97Å; H57-Y96 VanDerWaalsContact N-OH 3.09Å; H57-G222 PolarHBondContact NE2-O 3.01Å
58	F	98.2	Very high	97.8	Very high	54 Å²	54	46.9 Å²	46.9	24%	0.237	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	-23.2	176.4	74.7	-85.2	0	0	0	113.9	L48 V50 C75 L86	L48-F58 HydrophobicContact CB-CD1 4.33Å; L48-F58 HydrophobicContact CB-CE1 3.63Å; L48-F58 HydrophobicContact CB-CE2 4.49Å; L48-F58 HydrophobicContact CB-CZ 3.73Å; L48-F58 HydrophobicContact CD1-CZ 4.29Å; L48-F58 WeakPolarHBondContact O-CD1 3.46Å; L48-F58 PolarHBondContact O-N 2.98Å; V50-F58 HydrophobicContact CB-CD1 3.7Å; V50-F58 HydrophobicContact CB-CE1 3.95Å; V50-F58 HydrophobicContact CB-CG 4.47Å; V50-F58 HydrophobicContact CG1-CB 4.36Å; V50-F58 HydrophobicContact CG1-CD1 3.87Å; V50-F58 HydrophobicContact CG1-CG 4.34Å; F58-C75 HydrophobicContact CE2-CB 3.96Å; F58-C75 VanDerWaalsContact CE2-O 3.26Å; F58-C75 WeakPolarHBondContact CE2-O 3.17Å; F58-L86 HydrophobicContact CE1-CD1 3.81Å; F58-L86 HydrophobicContact CZ-CD1 3.81Å
59	C	98.8	Very high	97.8	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.8	176.3	-84.5	0	0	0	0	111.1	L48 H57 C75 S224	L48-C59 HydrophobicContact CB-CB 4.18Å; L48-C59 WeakPolarHBondContact CB-O 3.4Å; L48-C59 HydrophobicContact CD1-CB 4.01Å; L48-C59 HydrophobicContact CG-CB 4.32Å; L48-C59 PolarHBondContact N-O 3.01Å; H57-C59 PolarHBondContact CE1-O 2.92Å; H57-C59 PolarHBondContact ND1-O 3.27Å; H57-C59 VanDerWaalsContact ND1-O 3.17Å; C59-C75 HydrophobicContact CB-CB 3.73Å; C59-C75 WeakPolarHBondContact CB-SG 3.33Å; C59-C75 WeakPolarHBondContact SG-CB 3.28Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 2.9Å; C59-S224 CarbonylContact C-O 3.59Å; C59-S224 WeakPolarHBondContact CB-O 3.35Å
60	G	98.9	Very high	97.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-178.3	167	0	0	0	0	0	113.7	V46 T71 S224 G225	V46-G60 WeakPolarHBondContact O-CA 3.29Å; G60-T71 PolarHBondContact O-OG1 3.3Å; G60-S224 PolarHBondContact N-O 2.95Å; G60-G225 CarbonylContact O-C 3.45Å
61	G	98.9	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	-179.2	174.3	0	0	0	0	0	110.5	Q45 V46 L70 G225	Q45-G61 PolarHBondContact NE2-O 3.05Å; V46-G61 VanDerWaalsContact CG2-C 3.43Å; V46-G61 VanDerWaalsContact CG2-CA 3.48Å; V46-G61 PolarHBondContact N-O 2.76Å; V46-G61 PolarHBondContact O-N 3.03Å; V46-G61 VanDerWaalsContact O-N 3.08Å; G61-L70 CarbonylContact C-O 3.51Å; G61-L70 VanDerWaalsContact CA-O 3.3Å; G61-L70 WeakPolarHBondContact CA-O 3.46Å; G61-G225 VanDerWaalsContact CA-O 3.25Å; G61-G225 WeakPolarHBondContact CA-O 2.99Å
62	S	98.9	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.1	177.6	46.1	0	0	0	0	111.3	W44 I64 V69 L70 Q238	W44-S62 CarbonylContact O-C 3.59Å; W44-S62 WeakPolarHBondContact O-CA 3.06Å; S62-I64 PolarHBondContact O-N 3.29Å; S62-V69 CarbonylContact O-C 3.44Å; S62-V69 VanDerWaalsContact O-CA 3.29Å; S62-V69 WeakPolarHBondContact O-CA 3.23Å; S62-L70 PolarHBondContact N-O 3.48Å; S62-L70 PolarHBondContact O-N 2.88Å; S62-L70 PolarHBondContact OG-O 3.35Å; S62-Q238 PolarHBondContact OG-NE2 2.89Å; S62-Q238 PolarHBondContact OG-OE1 2.77Å
63	L	98.9	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.8	171.9	-167.4	74.8	0	0	0	108.9	W44 V46 H65 V69 L90 L127 V131 V137 T139 V140	W44-L63 PolarHBondContact O-N 3.43Å; V46-L63 HydrophobicContact CG1-CB 4.29Å; L63-H65 WeakPolarHBondContact CD1-O 3.22Å; L63-H65 WeakPolarHBondContact CG-O 3.44Å; L63-V69 HydrophobicContact CD1-CG2 4.12Å; L63-L90 HydrophobicContact CD1-CD2 4.44Å; L63-L127 HydrophobicContact CD1-CD1 4.39Å; L63-V131 HydrophobicContact CD1-CG2 4.16Å; L63-V131 HydrophobicContact CD2-CG2 3.58Å; L63-V137 HydrophobicContact CD2-CG1 4.22Å; L63-T139 HydrophobicContact CD2-CG2 4.34Å; L63-T139 HydrophobicContact CG-CG2 4.32Å; L63-T139 CarbonylContact O-C 3.58Å; L63-T139 WeakPolarHBondContact O-CA 3.24Å; L63-V140 PolarHBondContact O-N 3Å
64	I	98.7	Very high	98.5	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.067	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-17.7	-179.7	56.3	160.9	0	0	0	112.3	S62 W68 L70 L124 V140 L142 I267 V271	S62-I64 PolarHBondContact O-N 3.29Å; I64-W68 HydrophobicContact CG1-CB 4.14Å; I64-W68 WeakPolarHBondContact CG1-O 3.48Å; I64-W68 PolarHBondContact N-O 3.18Å; I64-L70 HydrophobicContact CD1-CB 3.91Å; I64-L70 HydrophobicContact CG1-CB 4.14Å; I64-L70 HydrophobicContact CG2-CB 3.85Å; I64-L70 HydrophobicContact CG2-CD2 4.31Å; I64-L124 HydrophobicContact CD1-CD2 3.76Å; I64-V140 HydrophobicContact CG2-CG1 3.74Å; I64-L142 HydrophobicContact CD1-CD1 4.46Å; I64-L142 HydrophobicContact CG2-CD2 3.94Å; I64-L142 HydrophobicContact CG2-CG 4.49Å; I64-I267 HydrophobicContact CD1-CG2 3.86Å; I64-V271 HydrophobicContact CD1-CG1 4.31Å; I64-V271 HydrophobicContact CD1-CG2 3.93Å
65	H	98.6	Very high	98.6	Very high	43 Å²	43	19.8 Å²	19.8	20%	0.199	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156	172.2	-176.8	-93.9	0	0	0	108.2	L63 Q67 W68 V271	L63-H65 WeakPolarHBondContact CD1-O 3.22Å; L63-H65 WeakPolarHBondContact CG-O 3.44Å; H65-Q67 PolarHBondContact ND1-N 3.31Å; H65-Q67 VanDerWaalsContact ND1-N 3.18Å; H65-Q67 PolarHBondContact O-N 3.33Å; H65-W68 HydrophobicContact CB-CB 3.81Å; H65-W68 HydrophobicContact CB-CG 4.16Å; H65-W68 AromaticContact CG-CD1 3.75Å; H65-W68 PolarHBondContact N-O 3.43Å; H65-W68 AromaticContact ND1-CD1 3.49Å; H65-W68 PolarHBondContact O-N 3.14Å; H65-W68 VanDerWaalsContact O-O 3.13Å; H65-V271 HydrophobicContact CB-CG1 3.69Å
66	P	98.3	Very high	98.6	Very high	36 Å²	36	17 Å²	17	23%	0.234	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-26.9	174.7	-33.3	38	0	0	0	115.4	P130 V131 V133	P66-P130 HydrophobicContact CB-CB 4.18Å; P66-P130 CarbonylContact O-C 3.57Å; P66-P130 WeakPolarHBondContact O-CA 3.33Å; P66-V131 WeakPolarHBondContact O-CG2 3.45Å; P66-V131 PolarHBondContact O-N 2.81Å; P66-V133 HydrophobicContact CG-CG1 4.33Å
67	Q	98.5	Very high	98.4	Very high	52 Å²	52	14.7 Å²	14.7	24%	0.243	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	1.7	179.9	-156.7	174.4	-16.6	0	0	113.8	H65 E126 L127 P130	H65-Q67 PolarHBondContact ND1-N 3.31Å; H65-Q67 VanDerWaalsContact ND1-N 3.18Å; H65-Q67 PolarHBondContact O-N 3.33Å; Q67-E126 HydrophobicContact CG-CG 4.16Å; Q67-E126 WeakPolarHBondContact O-CA 3.43Å; Q67-L127 HydrophobicContact CG-CB 4.24Å; Q67-L127 VanDerWaalsContact CG-O 3.23Å; Q67-L127 WeakPolarHBondContact CG-O 3.29Å; Q67-L127 PolarHBondContact NE2-O 3.08Å; Q67-L127 PolarHBondContact O-N 3.35Å; Q67-P130 HydrophobicContact CB-CB 4.27Å
68	W	98.9	Very high	97.8	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.027	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.7	-174.7	-61.8	91.5	0	0	0	113.1	I64 H65 I108 L124 L125 E126 Y270 V271	I64-W68 HydrophobicContact CG1-CB 4.14Å; I64-W68 WeakPolarHBondContact CG1-O 3.48Å; I64-W68 PolarHBondContact N-O 3.18Å; H65-W68 HydrophobicContact CB-CB 3.81Å; H65-W68 HydrophobicContact CB-CG 4.16Å; H65-W68 AromaticContact CG-CD1 3.75Å; H65-W68 PolarHBondContact N-O 3.43Å; H65-W68 AromaticContact ND1-CD1 3.49Å; H65-W68 PolarHBondContact O-N 3.14Å; H65-W68 VanDerWaalsContact O-O 3.13Å; W68-I108 HydrophobicContact CH2-CD1 3.72Å; W68-I108 HydrophobicContact CZ3-CD1 3.74Å; W68-I108 HydrophobicContact CZ3-CG1 4.49Å; W68-L124 HydrophobicContact CE3-CB 3.9Å; W68-L124 HydrophobicContact CE3-CD1 4.47Å; W68-L124 HydrophobicContact CE3-CD2 4.49Å; W68-L124 HydrophobicContact CZ3-CB 3.85Å; W68-L124 HydrophobicContact CZ3-CD1 4.32Å; W68-L125 WeakPolarHBondContact CA-O 3.41Å; W68-E126 HydrophobicContact CD2-CB 4.37Å; W68-E126 HydrophobicContact CD2-CG 4.34Å; W68-E126 HydrophobicContact CE3-CB 4.01Å; W68-E126 HydrophobicContact CE3-CG 4.46Å; W68-E126 HydrophobicContact CH2-CB 3.98Å; W68-E126 HydrophobicContact CH2-CG 4.16Å; W68-E126 HydrophobicContact CZ2-CB 4.29Å; W68-E126 HydrophobicContact CZ2-CG 3.97Å; W68-E126 WeakPolarHBondContact CZ2-OE1 3.45Å; W68-E126 HydrophobicContact CZ3-CB 3.82Å; W68-E126 HydrophobicContact CZ3-CG 4.38Å; W68-Y270 WeakPolarHBondContact CZ2-O 3.34Å; W68-V271 HydrophobicContact CB-CG1 4.22Å; W68-V271 HydrophobicContact CB-CG2 3.97Å; W68-V271 HydrophobicContact CD2-CG2 3.8Å; W68-V271 HydrophobicContact CE3-CG2 4.12Å; W68-V271 HydrophobicContact CG-CB 4.4Å; W68-V271 HydrophobicContact CG-CG1 4.1Å; W68-V271 HydrophobicContact CG-CG2 3.74Å
69	V	98.9	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.6	170.4	171	0	0	0	0	109.4	V46 S62 L63 V88 L124 L125 L127	V46-V69 HydrophobicContact CG1-CG2 4.32Å; V46-V69 HydrophobicContact CG2-CB 4.48Å; V46-V69 HydrophobicContact CG2-CG1 3.49Å; V46-V69 VanDerWaalsContact CG2-CG1 3.49Å; V46-V69 HydrophobicContact CG2-CG2 4.12Å; S62-V69 CarbonylContact O-C 3.44Å; S62-V69 VanDerWaalsContact O-CA 3.29Å; S62-V69 WeakPolarHBondContact O-CA 3.23Å; L63-V69 HydrophobicContact CD1-CG2 4.12Å; V69-V88 HydrophobicContact CG2-CG1 4.13Å; V69-L124 WeakPolarHBondContact O-CA 3.29Å; V69-L125 HydrophobicContact CB-CB 4.19Å; V69-L125 HydrophobicContact CG1-CD1 4.27Å; V69-L125 PolarHBondContact N-O 2.81Å; V69-L125 PolarHBondContact O-N 3.14Å; V69-L127 HydrophobicContact CG2-CD2 4.43Å
70	L	98.9	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	168.7	-179.4	63	0	0	0	109.8	G61 S62 I64 I122 A123 L124 L142 V241 V260 I267	G61-L70 CarbonylContact C-O 3.51Å; G61-L70 VanDerWaalsContact CA-O 3.3Å; G61-L70 WeakPolarHBondContact CA-O 3.46Å; S62-L70 PolarHBondContact N-O 3.48Å; S62-L70 PolarHBondContact O-N 2.88Å; S62-L70 PolarHBondContact OG-O 3.35Å; I64-L70 HydrophobicContact CD1-CB 3.91Å; I64-L70 HydrophobicContact CG1-CB 4.14Å; I64-L70 HydrophobicContact CG2-CB 3.85Å; I64-L70 HydrophobicContact CG2-CD2 4.31Å; L70-I122 HydrophobicContact CD1-CD1 3.74Å; L70-I122 HydrophobicContact CD1-CG1 3.5Å; L70-I122 VanDerWaalsContact CD1-CG1 3.5Å; L70-A123 WeakPolarHBondContact CD1-O 3.36Å; L70-L124 HydrophobicContact CD1-CD2 3.99Å; L70-L142 HydrophobicContact CD2-CD2 4.33Å; L70-V241 HydrophobicContact CD2-CG2 3.97Å; L70-V241 HydrophobicContact CG-CG2 4.07Å; L70-V260 HydrophobicContact CD2-CG2 4.45Å; L70-I267 HydrophobicContact CD1-CD1 4.38Å; L70-I267 HydrophobicContact CD2-CD1 4.3Å
71	T	98.9	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	-178.2	179.6	-168.8	0	0	0	0	110.7	L48 G60 A123 L125 G225	L48-T71 HydrophobicContact CD1-CG2 4.03Å; L48-T71 WeakPolarHBondContact CD1-OG1 3.44Å; G60-T71 PolarHBondContact O-OG1 3.3Å; T71-A123 HydrophobicContact CG2-CB 4.05Å; T71-A123 PolarHBondContact N-O 3.11Å; T71-A123 PolarHBondContact O-N 3.21Å; T71-L125 HydrophobicContact CG2-CD1 4.18Å; T71-L125 HydrophobicContact CG2-CD2 4.36Å; T71-L125 HydrophobicContact CG2-CG 4.06Å; T71-G225 WeakPolarHBondContact OG1-CA 3.4Å
72	A	98.9	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.			trans	-84.2	145.1	175.6	0	0	0	0	0	110.2	C75 G225 V241	A72-C75 WeakPolarHBondContact O-CB 3.3Å; A72-C75 PolarHBondContact O-N 3.28Å; A72-G225 VanDerWaalsContact N-CA 3.28Å; A72-V241 HydrophobicContact CB-CG1 4.05Å
73	A	98.8	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-66.4	-38.5	179.6	0	0	0	0	0	112.5	C75 V76 G77 V109 F113 D121 A123	A73-C75 PolarHBondContact O-N 2.9Å; A73-C75 VanDerWaalsContact O-N 3.08Å; A73-V76 CarbonylContact O-C 3.54Å; A73-V76 PolarHBondContact O-N 3.2Å; A73-G77 PolarHBondContact O-N 3.15Å; A73-V109 HydrophobicContact CB-CG1 3.78Å; A73-F113 HydrophobicContact CB-CB 3.98Å; A73-F113 HydrophobicContact CB-CD1 3.47Å; A73-F113 VanDerWaalsContact CB-CD1 3.47Å; A73-F113 HydrophobicContact CB-CD2 3.55Å; A73-F113 HydrophobicContact CB-CE1 3.78Å; A73-F113 HydrophobicContact CB-CE2 3.85Å; A73-F113 HydrophobicContact CB-CG 3.34Å; A73-F113 HydrophobicContact CB-CZ 3.97Å; A73-D121 WeakPolarHBondContact CA-OD1 3.17Å; A73-D121 WeakPolarHBondContact CB-OD1 3.37Å; A73-D121 PolarHBondContact N-OD1 3.25Å; A73-A123 HydrophobicContact CB-CB 4.39Å
74	H	98.3	Very high	94.7	Very high	60 Å²	60	41.5 Å²	41.5	28%	0.278	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-63.3	-17.8	-179.3	77	-99.5	0	0	0	113.3	V76 F113 D121 S224 S243	H74-V76 VanDerWaalsContact C-N 3.3Å; H74-F113 VanDerWaalsContact CA-CZ 3.45Å; H74-F113 HydrophobicContact CB-CE1 4.44Å; H74-F113 HydrophobicContact CB-CE2 4.19Å; H74-F113 HydrophobicContact CB-CZ 3.55Å; H74-D121 IonicContact CE1-OD2 3.78Å; H74-D121 PolarHBondContact CE1-OD2 2.98Å; H74-D121 IonicContact CG-OD1 3.82Å; H74-D121 IonicContact CG-OD2 3.07Å; H74-D121 PolarHBondContact N-OD1 3.18Å; H74-D121 VanDerWaalsContact ND1-CG 3.32Å; H74-D121 IonicContact ND1-OD1 3.18Å; H74-D121 PolarHBondContact ND1-OD1 3.07Å; H74-D121 IonicContact ND1-OD2 3.51Å; H74-D121 PolarHBondContact ND1-OD2 2.94Å; H74-S224 VanDerWaalsContact CE1-CB 3.45Å; H74-S224 WeakPolarHBondContact CE1-CB 3.07Å; H74-S224 PolarHBondContact CE1-OG 2.69Å; H74-S224 VanDerWaalsContact CE1-OG 3.28Å; H74-S224 WeakPolarHBondContact NE2-CB 3.1Å; H74-S224 PolarHBondContact NE2-OG 3.02Å; H74-S243 PolarHBondContact CE1-O 2.73Å
75	C	98.1	Very high	94.6	Very high	10 Å²	10	42.2 Å²	42.2	7%	0.068	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.8	-32.3	171.6	-67.4	0	0	0	0	111.9	L48 F58 C59 A72 A73	L48-C75 HydrophobicContact CD1-CB 4.44Å; F58-C75 HydrophobicContact CE2-CB 3.96Å; F58-C75 VanDerWaalsContact CE2-O 3.26Å; F58-C75 WeakPolarHBondContact CE2-O 3.17Å; C59-C75 HydrophobicContact CB-CB 3.73Å; C59-C75 WeakPolarHBondContact CB-SG 3.33Å; C59-C75 WeakPolarHBondContact SG-CB 3.28Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 2.9Å; A72-C75 WeakPolarHBondContact O-CB 3.3Å; A72-C75 PolarHBondContact O-N 3.28Å; A73-C75 PolarHBondContact O-N 2.9Å; A73-C75 VanDerWaalsContact O-N 3.08Å
76	V	97.7	Very high	94.6	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.024	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	10.8	-168	-63.5	0	0	0	0	113.9	A73 H74 K81 L86 I107 V109 A123 L125	A73-V76 CarbonylContact O-C 3.54Å; A73-V76 PolarHBondContact O-N 3.2Å; H74-V76 VanDerWaalsContact C-N 3.3Å; V76-K81 VanDerWaalsContact O-CG 3.32Å; V76-K81 WeakPolarHBondContact O-CG 3.28Å; V76-L86 HydrophobicContact CG1-CD2 4.18Å; V76-I107 HydrophobicContact CB-CG2 4Å; V76-I107 HydrophobicContact CG2-CG2 3.72Å; V76-V109 HydrophobicContact CG2-CG2 3.92Å; V76-A123 HydrophobicContact CG2-CB 3.72Å; V76-L125 HydrophobicContact CG1-CD2 4.25Å; V76-L125 HydrophobicContact CG2-CD2 4.48Å
77	G	93.3	Very high	94.6	Very high	8 Å²	8	41.8 Å²	41.8	8%	0.082	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-155.9	-174.3	-179.1	0	0	0	0	0	111.9	A73 D79	A73-G77 PolarHBondContact O-N 3.15Å; G77-D79 VanDerWaalsContact C-N 3.34Å
78	P	86.4	Confident	94.6	Very high	69 Å²	69	39.3 Å²	39.3	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	cis	-74.6	-20.6	2.4	30.7	-35.3	0	0	0	113.5	F113 Y114	P78-F113 HydrophobicContact CB-CD1 4.35Å; P78-F113 HydrophobicContact CB-CE1 4.3Å; P78-Y114 HydrophobicContact CB-CD2 4.48Å; P78-Y114 HydrophobicContact CG-CD2 4.46Å
79	D	86.7	Confident	94.6	Very high	118 Å²	118	39.4 Å²	39.4	63%	0.631	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	140.8	177.3	-59.9	-41.7	0	0	0	111.7	G77 K81	G77-D79 VanDerWaalsContact C-N 3.34Å; D79-K81 PolarHBondContact O-N 2.92Å
80	V	80.5	Confident	94.6	Very high	146 Å²	146	40.7 Å²	40.7	89%	0.885	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	121.5	177.5	-179.2	0	0	0	0	109.8
81	K	83.5	Confident	94.6	Very high	99 Å²	99	40.9 Å²	40.9	43%	0.43	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-89.6	142.8	175.2	-57.6	-64	-179.5	-172.7	0	110.6	V76 D79 L83 I107	V76-K81 VanDerWaalsContact O-CG 3.32Å; V76-K81 WeakPolarHBondContact O-CG 3.28Å; D79-K81 PolarHBondContact O-N 2.92Å; K81-L83 PolarHBondContact O-N 2.86Å; K81-I107 HydrophobicContact CB-CD1 4.18Å
82	D	91.1	Very high	94.5	Very high	107 Å²	107	42.3 Å²	42.3	57%	0.572	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-66.9	117.7	167.5	179.5	6.8	0	0	0	109.8	A84 A85	D82-A84 PolarHBondContact O-N 3.21Å; D82-A84 VanDerWaalsContact OD1-CB 3.31Å; D82-A84 WeakPolarHBondContact OD1-CB 3.5Å; D82-A84 PolarHBondContact OD1-N 3.17Å; D82-A85 HydrophobicContact CB-CB 4.34Å; D82-A85 WeakPolarHBondContact O-CB 3.31Å; D82-A85 PolarHBondContact O-N 2.96Å
83	L	92.3	Very high	94.5	Very high	60 Å²	60	42.5 Å²	42.5	31%	0.314	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.3	176.3	-69.2	171.5	0	0	0	112.2	K81 A85 L86 R87 V104 S105 I107	K81-L83 PolarHBondContact O-N 2.86Å; L83-A85 PolarHBondContact O-N 2.88Å; L83-L86 PolarHBondContact O-N 3.46Å; L83-L86 VanDerWaalsContact O-N 3.17Å; L83-R87 PolarHBondContact O-NH1 2.82Å; L83-V104 HydrophobicContact CD2-CB 4.37Å; L83-V104 HydrophobicContact CD2-CG1 3.95Å; L83-S105 WeakPolarHBondContact CD1-O 3.3Å; L83-I107 HydrophobicContact CD2-CB 4.49Å; L83-I107 HydrophobicContact CD2-CD1 3.54Å; L83-I107 HydrophobicContact CD2-CG1 3.58Å
84	A	93.7	Very high	94.5	Very high	39 Å²	39	44.4 Å²	44.4	32%	0.322	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-68.6	-17.7	176.7	0	0	0	0	0	112.7	R51 D82	R51-A84 PolarHBondContact NE-O 2.8Å; R51-A84 PolarHBondContact NH2-O 3.27Å; D82-A84 PolarHBondContact O-N 3.21Å; D82-A84 VanDerWaalsContact OD1-CB 3.31Å; D82-A84 WeakPolarHBondContact OD1-CB 3.5Å; D82-A84 PolarHBondContact OD1-N 3.17Å
85	A	95.8	Very high	94.5	Very high	29 Å²	29	41.8 Å²	41.8	24%	0.24	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-94.4	-0.4	176.1	0	0	0	0	0	113.3	V50 R51 D82 L83	V50-A85 CarbonylContact C-O 3.5Å; V50-A85 VanDerWaalsContact CA-O 3.3Å; V50-A85 WeakPolarHBondContact CA-O 3.19Å; R51-A85 HydrophobicContact CB-CB 4.37Å; R51-A85 PolarHBondContact N-O 3.02Å; D82-A85 HydrophobicContact CB-CB 4.34Å; D82-A85 WeakPolarHBondContact O-CB 3.31Å; D82-A85 PolarHBondContact O-N 2.96Å; L83-A85 PolarHBondContact O-N 2.88Å
86	L	98.3	Very high	94.5	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.8	-179.2	-177.4	64	0	0	0	111.8	L48 R49 F58 V76 L83 V104 I107 L125	L48-L86 HydrophobicContact CB-CD1 4.35Å; R49-L86 WeakPolarHBondContact O-CA 3.48Å; F58-L86 HydrophobicContact CE1-CD1 3.81Å; F58-L86 HydrophobicContact CZ-CD1 3.81Å; V76-L86 HydrophobicContact CG1-CD2 4.18Å; L83-L86 PolarHBondContact O-N 3.46Å; L83-L86 VanDerWaalsContact O-N 3.17Å; L86-V104 HydrophobicContact CD2-CB 4.45Å; L86-V104 HydrophobicContact CD2-CG1 4.42Å; L86-V104 HydrophobicContact CD2-CG2 4.16Å; L86-V104 HydrophobicContact CG-CG2 4.18Å; L86-I107 HydrophobicContact CD2-CD1 3.8Å; L86-I107 HydrophobicContact CD2-CG1 4.09Å; L86-L125 HydrophobicContact CD2-CD1 4.35Å; L86-L125 HydrophobicContact CD2-CD2 4.19Å
87	R	98.6	Very high	94.5	Very high	62 Å²	62	51.2 Å²	51.2	23%	0.234	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.3	169.6	-66.6	-68.8	178.9	-105.5	11.1	111	R49 W55 L83 L101 L102	R49-R87 HydrophobicContact CB-CB 4.29Å; R49-R87 PolarHBondContact N-O 3.16Å; R49-R87 PolarHBondContact O-N 3.38Å; W55-R87 HydrophobicContact CD2-CG 4.12Å; W55-R87 HydrophobicContact CE3-CB 4.02Å; W55-R87 HydrophobicContact CE3-CG 3.73Å; W55-R87 HydrophobicContact CH2-CB 4.42Å; W55-R87 HydrophobicContact CH2-CG 3.34Å; W55-R87 HydrophobicContact CZ2-CG 3.75Å; W55-R87 HydrophobicContact CZ3-CB 3.94Å; W55-R87 HydrophobicContact CZ3-CG 3.33Å; L83-R87 PolarHBondContact O-NH1 2.82Å; R87-L101 HydrophobicContact CB-CB 4Å; R87-L101 HydrophobicContact CB-CD1 4.5Å; R87-L101 HydrophobicContact CG-CB 4.13Å; R87-L102 WeakPolarHBondContact CA-O 3.23Å; R87-L102 VanDerWaalsContact CD-O 3.29Å; R87-L102 WeakPolarHBondContact CD-O 3.39Å
88	V	98.8	Very high	94.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.4	173.3	173.5	0	0	0	0	109.1	V46 L48 V69 L90 L102 V104 L125 L127	V46-V88 HydrophobicContact CB-CG1 4.02Å; V46-V88 HydrophobicContact CG1-CG1 4.36Å; V46-V88 HydrophobicContact CG2-CG1 4.18Å; L48-V88 HydrophobicContact CD2-CG2 3.79Å; V69-V88 HydrophobicContact CG2-CG1 4.13Å; V88-L90 HydrophobicContact CG1-CD2 4.43Å; V88-L102 HydrophobicContact CB-CB 4.42Å; V88-L102 PolarHBondContact N-O 3.14Å; V88-L102 WeakPolarHBondContact O-CB 3.47Å; V88-L102 PolarHBondContact O-N 2.84Å; V88-V104 HydrophobicContact CG2-CG2 3.71Å; V88-L125 HydrophobicContact CG2-CD1 4.11Å; V88-L127 HydrophobicContact CB-CD2 3.9Å; V88-L127 HydrophobicContact CG1-CD2 4.21Å; V88-L127 HydrophobicContact CG2-CD2 3.83Å
89	Q	98.8	Very high	95.2	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.2	166.7	171.5	59.3	52	0	0	108.4	V46 S47 R49 D99 Q100 L101	V46-Q89 CarbonylContact C-O 3.59Å; V46-Q89 VanDerWaalsContact CA-O 3.3Å; V46-Q89 WeakPolarHBondContact CA-O 3.34Å; V46-Q89 WeakPolarHBondContact CB-O 3.35Å; S47-Q89 PolarHBondContact N-O 3.15Å; S47-Q89 PolarHBondContact O-N 2.81Å; R49-Q89 HydrophobicContact CG-CB 4.45Å; Q89-D99 VanDerWaalsContact OE1-CA 3.28Å; Q89-Q100 PolarHBondContact OE1-O 3.44Å; Q89-L101 HydrophobicContact CB-CD2 4.08Å
90	L	98.7	Very high	95.7	Very high	27 Å²	27	57.6 Å²	57.6	14%	0.141	29%	0.286	C	S	.	.			trans	-69.4	176.6	175.5	-59.3	-180	0	0	0	111.4	V46 L63 V88 E92 L102 V131 V137	V46-L90 HydrophobicContact CG1-CD2 3.97Å; L63-L90 HydrophobicContact CD1-CD2 4.44Å; V88-L90 HydrophobicContact CG1-CD2 4.43Å; L90-E92 PolarHBondContact O-N 3.38Å; L90-E92 VanDerWaalsContact O-N 3.1Å; L90-L102 HydrophobicContact CD1-CD1 3.89Å; L90-L102 HydrophobicContact CD2-CD1 3.99Å; L90-L102 HydrophobicContact CG-CD1 3.75Å; L90-V131 HydrophobicContact CD1-CB 3.92Å; L90-V131 HydrophobicContact CD1-CG1 3.69Å; L90-V131 HydrophobicContact CD1-CG2 4.28Å; L90-V131 HydrophobicContact CD2-CG1 4.19Å; L90-V131 HydrophobicContact CG-CG1 4.45Å; L90-V137 HydrophobicContact CB-CG1 4.16Å; L90-V137 HydrophobicContact CB-CG2 4.3Å; L90-V137 HydrophobicContact CD1-CG1 3.72Å; L90-V137 HydrophobicContact CD2-CG1 4.48Å; L90-V137 HydrophobicContact CG-CG1 4.34Å
91	R	98.5	Very high	96.6	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.011	26%	0.255	C	S	.	.	S	Bend	trans	-47	120.5	-180	173.6	62.8	172.4	86.7	-5.5	110.6	P38 K41 W42 Q45 H136 V137 L175	P38-R91 PolarHBondContact O-NH2 2.86Å; K41-R91 PolarHBondContact O-NE 2.88Å; K41-R91 PolarHBondContact O-NH2 3.18Å; W42-R91 VanDerWaalsContact O-CD 3.28Å; W42-R91 WeakPolarHBondContact O-CD 3.27Å; Q45-R91 WeakPolarHBondContact O-CA 3.39Å; Q45-R91 WeakPolarHBondContact O-CB 3.32Å; Q45-R91 PolarHBondContact O-N 2.04Å; R91-H136 PolarHBondContact O-NE2 2.82Å; R91-V137 HydrophobicContact CB-CG2 4.31Å; R91-L175 VanDerWaalsContact CZ-CD2 3.48Å; R91-L175 VanDerWaalsContact NE-CD2 3.3Å
92	E	98.2	Very high	97.3	Very high	31 Å²	31	49.6 Å²	49.6	15%	0.145	24%	0.243	C	C	.	.			trans	-140.2	155.8	172.1	-98.6	-55.2	155.3	0	0	110.3	L90 W160	L90-E92 PolarHBondContact O-N 3.38Å; L90-E92 VanDerWaalsContact O-N 3.1Å; E92-W160 WeakPolarHBondContact O-CZ2 3.31Å
93	Q	98.2	Very high	97.6	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.014	23%	0.228	C	C	.	.	S	Bend	trans	-74.4	-38.3	-177	-171.3	60.5	28.6	0	0	112	E36 A37 R39 P174 L175	E36-Q93 PolarHBondContact OE1-NE2 2.87Å; A37-Q93 PolarHBondContact O-NE2 3.07Å; A37-Q93 PolarHBondContact O-OE1 3.03Å; R39-Q93 HydrophobicContact CG-CB 4.25Å; R39-Q93 HydrophobicContact CG-CG 4.09Å; Q93-P174 CarbonylContact O-C 3.4Å; Q93-P174 WeakPolarHBondContact O-CA 3.47Å; Q93-L175 PolarHBondContact O-N 3.35Å
94	H	98.6	Very high	97.9	Very high	41 Å²	41	43.8 Å²	43.8	19%	0.19	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-132.6	134.4	-174.6	-62.1	105.3	0	0	0	108.8	E36 Y97 P172 F173	E36-H94 IonicContact OE1-NE2 2.69Å; H94-Y97 HydrophobicContact CB-CD2 3.73Å; H94-Y97 HydrophobicContact CB-CE2 4.32Å; H94-Y97 HydrophobicContact CB-CG 4.49Å; H94-P172 VanDerWaalsContact CB-O 3.3Å; H94-P172 WeakPolarHBondContact CB-O 3.47Å; H94-P172 PolarHBondContact CD2-O 2.99Å; H94-P172 VanDerWaalsContact CD2-O 3.25Å; H94-F173 WeakPolarHBondContact CA-O 3.3Å
95	L	98.6	Very high	98.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	144.1	175.3	-62.9	174.9	0	0	0	110.8	S47 H57 Y97 W160 F173	S47-L95 WeakPolarHBondContact OG-CD2 3.26Å; H57-L95 HydrophobicContact CB-CD1 3.6Å; H57-L95 HydrophobicContact CB-CD2 4.45Å; L95-Y97 VanDerWaalsContact C-N 3.28Å; L95-Y97 WeakPolarHBondContact O-CD2 3.47Å; L95-Y97 PolarHBondContact O-N 3.08Å; L95-W160 HydrophobicContact CD1-CB 3.63Å; L95-W160 HydrophobicContact CD1-CD2 4.35Å; L95-W160 HydrophobicContact CD1-CG 3.73Å; L95-W160 HydrophobicContact CD2-CD2 3.77Å; L95-W160 HydrophobicContact CD2-CE3 4.18Å; L95-W160 HydrophobicContact CD2-CG 4Å; L95-W160 HydrophobicContact CD2-CZ2 4.24Å; L95-W160 HydrophobicContact CG-CB 4.24Å; L95-W160 HydrophobicContact CG-CD2 4.07Å; L95-W160 HydrophobicContact CG-CG 3.77Å; L95-F173 HydrophobicContact CB-CB 3.88Å; L95-F173 HydrophobicContact CB-CG 4.5Å; L95-F173 HydrophobicContact CD1-CB 4.17Å; L95-F173 HydrophobicContact CG-CB 4.17Å; L95-F173 PolarHBondContact N-O 3.42Å
96	Y	98.4	Very high	98.2	Very high	63 Å²	63	47.7 Å²	47.7	25%	0.247	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-17.4	167.8	-36.3	-58	0	0	0	117	R49 Y54 W55 H57 D99 F173	R49-Y96 VanDerWaalsContact NH1-CD1 3.32Å; Y54-Y96 HydrophobicContact CD2-CD1 4.22Å; Y54-Y96 HydrophobicContact CD2-CE1 4.07Å; Y54-Y96 HydrophobicContact CE2-CD1 4.16Å; Y54-Y96 AromaticContact CE2-CE1 3.68Å; Y54-Y96 HydrophobicContact CE2-CE1 3.68Å; Y54-Y96 HydrophobicContact CE2-CE2 4.2Å; Y54-Y96 AromaticContact CE2-CZ 3.68Å; W55-Y96 WeakPolarHBondContact O-CE1 3.4Å; H57-Y96 WeakPolarHBondContact CB-OH 3.45Å; H57-Y96 PolarHBondContact N-OH 2.97Å; H57-Y96 VanDerWaalsContact N-OH 3.09Å; Y96-D99 WeakPolarHBondContact CA-OD1 3.45Å; Y96-D99 WeakPolarHBondContact CA-OD2 3.39Å; Y96-D99 PolarHBondContact N-OD1 2.93Å; Y96-D99 VanDerWaalsContact N-OD1 3.07Å; Y96-F173 AromaticContact CD2-CD2 3.65Å; Y96-F173 HydrophobicContact CD2-CD2 3.65Å; Y96-F173 AromaticContact CD2-CE2 3.8Å; Y96-F173 HydrophobicContact CD2-CE2 3.8Å; Y96-F173 HydrophobicContact CD2-CG 4.37Å; Y96-F173 AromaticContact CE2-CD2 3.76Å; Y96-F173 HydrophobicContact CE2-CD2 3.76Å; Y96-F173 AromaticContact CE2-CE2 3.88Å; Y96-F173 HydrophobicContact CE2-CE2 3.88Å; Y96-F173 HydrophobicContact CE2-CG 4.09Å; Y96-F173 HydrophobicContact CE2-CZ 4.31Å
97	Y	97.3	Very high	98.3	Very high	150 Å²	150	49.2 Å²	49.2	59%	0.588	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-34.5	-175	-73.6	-93	0	0	0	114.3	H94 L95 P172	H94-Y97 HydrophobicContact CB-CD2 3.73Å; H94-Y97 HydrophobicContact CB-CE2 4.32Å; H94-Y97 HydrophobicContact CB-CG 4.49Å; L95-Y97 VanDerWaalsContact C-N 3.28Å; L95-Y97 WeakPolarHBondContact O-CD2 3.47Å; L95-Y97 PolarHBondContact O-N 3.08Å; Y97-P172 HydrophobicContact CE2-CB 3.91Å
98	Q	97.1	Very high	98.2	Very high	125 Å²	125	47 Å²	47	58%	0.584	22%	0.223	S	C	*	.	S	Bend	trans	-134.7	43.5	-176.1	-61.7	-175.3	22.8	0	0	110.3	Q100	Q98-Q100 PolarHBondContact O-N 2.79Å
99	D	97.6	Very high	98.2	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	24%	0.236	S	C	.	.			trans	-69.3	130.8	-173.6	-79.9	0.4	0	0	0	112.1	R49 Q89 Y96 L101	R49-D99 IonicContact CZ-OD1 3.8Å; R49-D99 IonicContact CZ-OD2 2.73Å; R49-D99 IonicContact NH1-OD1 3.72Å; R49-D99 IonicContact NH1-OD2 3.4Å; R49-D99 PolarHBondContact NH1-OD2 3.31Å; R49-D99 VanDerWaalsContact NH2-CG 3.34Å; R49-D99 IonicContact NH2-OD1 3.6Å; R49-D99 PolarHBondContact NH2-OD1 2.93Å; R49-D99 IonicContact NH2-OD2 3.11Å; R49-D99 PolarHBondContact NH2-OD2 2.92Å; Q89-D99 VanDerWaalsContact OE1-CA 3.28Å; Y96-D99 WeakPolarHBondContact CA-OD1 3.45Å; Y96-D99 WeakPolarHBondContact CA-OD2 3.39Å; Y96-D99 PolarHBondContact N-OD1 2.93Å; Y96-D99 VanDerWaalsContact N-OD1 3.07Å; D99-L101 HydrophobicContact CB-CD2 4.21Å; D99-L101 HydrophobicContact CB-CG 4.36Å
100	Q	97.7	Very high	98.2	Very high	147 Å²	147	49.4 Å²	49.4	69%	0.687	24%	0.237	S	C	*	.			trans	-128	90	165.1	-175.4	-178.9	-7.6	0	0	107.5	Q89 Q98 L102	Q89-Q100 PolarHBondContact OE1-O 3.44Å; Q98-Q100 PolarHBondContact O-N 2.79Å; Q100-L102 PolarHBondContact O-N 3.05Å
101	L	98.5	Very high	98.2	Very high	45 Å²	45	53.4 Å²	53.4	24%	0.236	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-78.1	120.5	-171.8	-59.4	-177.9	0	0	0	111.5	R49 W55 R87 Q89 D99	R49-L101 HydrophobicContact CG-CD2 3.96Å; W55-L101 HydrophobicContact CB-CD1 3.54Å; W55-L101 HydrophobicContact CD2-CD1 3.72Å; W55-L101 HydrophobicContact CG-CD1 3.19Å; R87-L101 HydrophobicContact CB-CB 4Å; R87-L101 HydrophobicContact CB-CD1 4.5Å; R87-L101 HydrophobicContact CG-CB 4.13Å; Q89-L101 HydrophobicContact CB-CD2 4.08Å; D99-L101 HydrophobicContact CB-CD2 4.21Å; D99-L101 HydrophobicContact CB-CG 4.36Å
102	L	98.6	Very high	98.2	Very high	32 Å²	32	59.7 Å²	59.7	17%	0.168	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.1	179.3	-55	-177.9	0	0	0	110.8	R87 V88 L90 Q100 L127 V131	R87-L102 WeakPolarHBondContact CA-O 3.23Å; R87-L102 VanDerWaalsContact CD-O 3.29Å; R87-L102 WeakPolarHBondContact CD-O 3.39Å; V88-L102 HydrophobicContact CB-CB 4.42Å; V88-L102 PolarHBondContact N-O 3.14Å; V88-L102 WeakPolarHBondContact O-CB 3.47Å; V88-L102 PolarHBondContact O-N 2.84Å; L90-L102 HydrophobicContact CD1-CD1 3.89Å; L90-L102 HydrophobicContact CD2-CD1 3.99Å; L90-L102 HydrophobicContact CG-CD1 3.75Å; Q100-L102 PolarHBondContact O-N 3.05Å; L102-L127 HydrophobicContact CB-CD2 4.45Å; L102-L127 HydrophobicContact CD1-CD1 4.13Å; L102-V131 HydrophobicContact CD1-CG1 3.55Å
103	P	98.4	Very high	98.2	Very high	39 Å²	39	59.1 Å²	59.1	25%	0.253	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	151.2	172.6	30	-33.2	0	0	0	112.1	E128	P103-E128 HydrophobicContact CB-CB 4.28Å; P103-E128 WeakPolarHBondContact CB-OE2 3.27Å; P103-E128 HydrophobicContact CG-CB 3.79Å; P103-E128 WeakPolarHBondContact CG-OE2 3.27Å; P103-E128 PolarHBondContact O-N 2.92Å; P103-E128 VanDerWaalsContact O-N 3.15Å
104	V	98.5	Very high	98.1	Very high	7 Å²	7	66.4 Å²	66.4	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.6	177.1	178.9	0	0	0	0	107.7	L83 L86 V88 R106 I107 L125 E126	L83-V104 HydrophobicContact CD2-CB 4.37Å; L83-V104 HydrophobicContact CD2-CG1 3.95Å; L86-V104 HydrophobicContact CD2-CB 4.45Å; L86-V104 HydrophobicContact CD2-CG1 4.42Å; L86-V104 HydrophobicContact CD2-CG2 4.16Å; L86-V104 HydrophobicContact CG-CG2 4.18Å; V88-V104 HydrophobicContact CG2-CG2 3.71Å; V104-R106 WeakPolarHBondContact CG1-O 3.29Å; V104-I107 HydrophobicContact CG1-CG1 4.27Å; V104-L125 HydrophobicContact CG1-CB 4.08Å; V104-E126 WeakPolarHBondContact CA-O 3.34Å; V104-E126 WeakPolarHBondContact CG1-O 3.34Å
105	S	97.9	Very high	98	Very high	51 Å²	51	66.7 Å²	66.7	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-27.7	179.3	57.8	0	0	0	0	112.4	L83 E126 L127	L83-S105 WeakPolarHBondContact CD1-O 3.3Å; S105-E126 PolarHBondContact N-O 2.86Å; S105-E126 PolarHBondContact OG-O 2.95Å; S105-L127 PolarHBondContact OG-O 2.85Å
106	R	97.9	Very high	98	Very high	98 Å²	98	67 Å²	67	37%	0.37	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	137.6	-177.9	-172.7	167.1	52.6	159.5	-6.8	112.3	V104 I108 L125 E126	V104-R106 WeakPolarHBondContact CG1-O 3.29Å; R106-I108 HydrophobicContact CG-CD1 4.37Å; R106-I108 HydrophobicContact CG-CG1 3.87Å; R106-L125 WeakPolarHBondContact O-CA 3.45Å; R106-E126 HydrophobicContact CB-CB 3.95Å; R106-E126 IonicContact CZ-OE2 3.25Å; R106-E126 PolarHBondContact N-O 2.86Å; R106-E126 IonicContact NE-OE2 3.82Å; R106-E126 PolarHBondContact NE-OE2 3.11Å; R106-E126 VanDerWaalsContact NH2-CD 3.26Å; R106-E126 IonicContact NH2-OE1 2.71Å; R106-E126 PolarHBondContact NH2-OE1 2.83Å; R106-E126 IonicContact NH2-OE2 3.07Å; R106-E126 PolarHBondContact NH2-OE2 3.05Å; R106-E126 PolarHBondContact O-N 3.45Å
107	I	98.5	Very high	97.9	Very high	40 Å²	40	68.8 Å²	68.8	21%	0.205	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.1	168	-64.2	163.2	0	0	0	107.7	V76 K81 L83 L86 V104 V109 L125	V76-I107 HydrophobicContact CB-CG2 4Å; V76-I107 HydrophobicContact CG2-CG2 3.72Å; K81-I107 HydrophobicContact CB-CD1 4.18Å; L83-I107 HydrophobicContact CD2-CB 4.49Å; L83-I107 HydrophobicContact CD2-CD1 3.54Å; L83-I107 HydrophobicContact CD2-CG1 3.58Å; L86-I107 HydrophobicContact CD2-CD1 3.8Å; L86-I107 HydrophobicContact CD2-CG1 4.09Å; V104-I107 HydrophobicContact CG1-CG1 4.27Å; I107-V109 HydrophobicContact CG2-CG2 4.03Å; I107-L125 HydrophobicContact CB-CD2 4.31Å; I107-L125 HydrophobicContact CG1-CD2 3.76Å; I107-L125 HydrophobicContact CG2-CD2 4.17Å
108	I	98.4	Very high	97.8	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.087	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	100	175.9	-45.8	-178.1	0	0	0	108	W68 R106 A123 L124 W266 Y270	W68-I108 HydrophobicContact CH2-CD1 3.72Å; W68-I108 HydrophobicContact CZ3-CD1 3.74Å; W68-I108 HydrophobicContact CZ3-CG1 4.49Å; R106-I108 HydrophobicContact CG-CD1 4.37Å; R106-I108 HydrophobicContact CG-CG1 3.87Å; I108-A123 CarbonylContact O-C 3.47Å; I108-A123 VanDerWaalsContact O-CA 3.24Å; I108-A123 WeakPolarHBondContact O-CA 3.42Å; I108-L124 HydrophobicContact CB-CB 4.25Å; I108-L124 PolarHBondContact N-O 3.31Å; I108-L124 PolarHBondContact O-N 3.3Å; I108-W266 HydrophobicContact CG2-CZ2 3.91Å; I108-Y270 HydrophobicContact CD1-CD1 3.44Å; I108-Y270 VanDerWaalsContact CD1-CD1 3.44Å; I108-Y270 HydrophobicContact CD1-CD2 4.32Å; I108-Y270 HydrophobicContact CD1-CE1 3.75Å; I108-Y270 HydrophobicContact CD1-CG 3.75Å; I108-Y270 HydrophobicContact CG2-CD2 4.43Å; I108-Y270 HydrophobicContact CG2-CE1 4.18Å; I108-Y270 HydrophobicContact CG2-CE2 3.92Å
109	V	98.6	Very high	97.9	Very high	43 Å²	43	59.8 Å²	59.8	26%	0.261	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139.9	172.4	173.6	0	0	0	0	109	A73 V76 I107 F113 A123	A73-V109 HydrophobicContact CB-CG1 3.78Å; V76-V109 HydrophobicContact CG2-CG2 3.92Å; I107-V109 HydrophobicContact CG2-CG2 4.03Å; V109-F113 HydrophobicContact CG1-CB 3.88Å; V109-F113 HydrophobicContact CG1-CD1 3.84Å; V109-F113 HydrophobicContact CG1-CG 4.2Å; V109-A123 HydrophobicContact CG2-CB 4.27Å
110	H	98.6	Very high	97.9	Very high	16 Å²	16	57.3 Å²	57.3	7%	0.074	29%	0.291	C	S	.	.			trans	-59.6	131.2	175.4	-167.6	-85.2	0	0	0	110.7	Q112 F113 A120 I122 Y263 W266	H110-Q112 PolarHBondContact CE1-OE1 2.84Å; H110-Q112 PolarHBondContact ND1-N 3.1Å; H110-Q112 PolarHBondContact O-N 3.17Å; H110-Q112 VanDerWaalsContact O-N 3.08Å; H110-F113 VanDerWaalsContact O-CB 3.24Å; H110-F113 WeakPolarHBondContact O-CB 3.21Å; H110-F113 PolarHBondContact O-N 2.67Å; H110-A120 HydrophobicContact CB-CB 4.37Å; H110-A120 WeakPolarHBondContact ND1-CB 3.3Å; H110-I122 HydrophobicContact CB-CG2 3.7Å; H110-I122 WeakPolarHBondContact CB-O 3.08Å; H110-I122 PolarHBondContact N-O 3.06Å; H110-I122 VanDerWaalsContact N-O 3.1Å; H110-Y263 AromaticContact CD2-CD1 3.65Å; H110-Y263 AromaticContact CD2-CE1 3.86Å; H110-Y263 AromaticContact CE1-CE1 3.77Å; H110-Y263 AromaticContact NE2-CD1 3.54Å; H110-Y263 AromaticContact NE2-CE1 3.57Å; H110-W266 HydrophobicContact CB-CZ2 4.16Å; H110-W266 AromaticContact CD2-CD1 3.59Å; H110-W266 AromaticContact CD2-CD2 3.55Å; H110-W266 AromaticContact CD2-CE2 3.66Å; H110-W266 AromaticContact CD2-CG 3.53Å; H110-W266 AromaticContact CD2-NE1 3.65Å; H110-W266 AromaticContact NE2-CD1 3.9Å; H110-W266 AromaticContact NE2-CG 3.92Å
111	P	97.8	Very high	98	Very high	111 Å²	111	50.3 Å²	50.3	72%	0.721	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17	-170.5	25.6	-36	0	0	0	114.6
112	Q	98.2	Very high	98	Very high	134 Å²	134	48.1 Å²	48.1	63%	0.626	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.3	175.5	-63.9	179.5	-31	0	0	113.4	H110 A120	H110-Q112 PolarHBondContact CE1-OE1 2.84Å; H110-Q112 PolarHBondContact ND1-N 3.1Å; H110-Q112 PolarHBondContact O-N 3.17Å; H110-Q112 VanDerWaalsContact O-N 3.08Å; Q112-A120 HydrophobicContact CB-CB 3.73Å
113	F	98.4	Very high	98	Very high	19 Å²	19	46.6 Å²	46.6	8%	0.083	24%	0.239	C	C	.	.			trans	-74.8	135.4	-178.9	179.4	-107.4	0	0	0	111.9	A73 H74 P78 V109 H110 A120 D121	A73-F113 HydrophobicContact CB-CB 3.98Å; A73-F113 HydrophobicContact CB-CD1 3.47Å; A73-F113 VanDerWaalsContact CB-CD1 3.47Å; A73-F113 HydrophobicContact CB-CD2 3.55Å; A73-F113 HydrophobicContact CB-CE1 3.78Å; A73-F113 HydrophobicContact CB-CE2 3.85Å; A73-F113 HydrophobicContact CB-CG 3.34Å; A73-F113 HydrophobicContact CB-CZ 3.97Å; H74-F113 VanDerWaalsContact CA-CZ 3.45Å; H74-F113 HydrophobicContact CB-CE1 4.44Å; H74-F113 HydrophobicContact CB-CE2 4.19Å; H74-F113 HydrophobicContact CB-CZ 3.55Å; P78-F113 HydrophobicContact CB-CD1 4.35Å; P78-F113 HydrophobicContact CB-CE1 4.3Å; V109-F113 HydrophobicContact CG1-CB 3.88Å; V109-F113 HydrophobicContact CG1-CD1 3.84Å; V109-F113 HydrophobicContact CG1-CG 4.2Å; H110-F113 VanDerWaalsContact O-CB 3.24Å; H110-F113 WeakPolarHBondContact O-CB 3.21Å; H110-F113 PolarHBondContact O-N 2.67Å; F113-A120 HydrophobicContact CB-CB 4.39Å; F113-A120 WeakPolarHBondContact CB-O 3.47Å; F113-D121 HydrophobicContact CD2-CB 4.05Å; F113-D121 HydrophobicContact CE2-CB 3.88Å; F113-D121 WeakPolarHBondContact CE2-OD1 3.08Å
114	Y	96.5	Very high	98	Very high	157 Å²	157	44.8 Å²	44.8	62%	0.616	23%	0.227	S	C	*	.	S	Bend	trans	-138.6	-49.3	165.6	-174	-112.7	0	0	0	111.2	P78 I118	P78-Y114 HydrophobicContact CB-CD2 4.48Å; P78-Y114 HydrophobicContact CG-CD2 4.46Å; Y114-I118 HydrophobicContact CD1-CD1 4.02Å
115	T	97.6	Very high	98.1	Very high	47 Å²	47	44.4 Å²	44.4	29%	0.288	23%	0.225	S	C	.	.			trans	-136.8	155.7	170.7	66.9	0	0	0	0	110.3	Q117 I118 G119	T115-Q117 VanDerWaalsContact C-N 3.26Å; T115-Q117 PolarHBondContact O-N 3.45Å; T115-I118 PolarHBondContact O-N 2.88Å; T115-I118 WeakPolarHBondContact OG1-CD1 3.44Å; T115-I118 VanDerWaalsContact OG1-CG1 3.3Å; T115-I118 WeakPolarHBondContact OG1-CG1 3.22Å; T115-I118 PolarHBondContact OG1-N 2.99Å; T115-G119 PolarHBondContact O-N 2.86Å
116	A	96.7	Very high	98.1	Very high	10 Å²	10	43.6 Å²	43.6	8%	0.083	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-59.8	-36.9	-179.4	0	0	0	0	0	112.6	I118 G119 D121 M209 W244	A116-I118 PolarHBondContact O-N 3.32Å; A116-G119 PolarHBondContact O-N 3.07Å; A116-G119 VanDerWaalsContact O-N 3.08Å; A116-D121 HydrophobicContact CB-CB 4.44Å; A116-M209 WeakPolarHBondContact O-CE 3.32Å; A116-W244 HydrophobicContact CB-CB 3.88Å; A116-W244 HydrophobicContact CB-CG 3.99Å; A116-W244 PolarHBondContact O-NE1 3.3Å
117	Q	96.3	Very high	98.1	Very high	101 Å²	101	39 Å²	39	47%	0.472	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-71.3	-13.9	176.3	-56.4	80.7	1.3	0	0	113.1	T115 R206 W244	T115-Q117 VanDerWaalsContact C-N 3.26Å; T115-Q117 PolarHBondContact O-N 3.45Å; Q117-R206 PolarHBondContact O-NH1 3.46Å; Q117-R206 PolarHBondContact O-NH2 2.97Å; Q117-W244 HydrophobicContact CB-CZ2 4.37Å; Q117-W244 HydrophobicContact CG-CD2 4.08Å; Q117-W244 HydrophobicContact CG-CE3 3.95Å; Q117-W244 HydrophobicContact CG-CH2 4.07Å; Q117-W244 HydrophobicContact CG-CZ2 4.19Å; Q117-W244 HydrophobicContact CG-CZ3 3.95Å
118	I	96.8	Very high	98.1	Very high	83 Å²	83	42.5 Å²	42.5	43%	0.426	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-87.7	-17.9	170.9	-69.9	170.2	0	0	0	111.5	Y114 T115 A116 R206	Y114-I118 HydrophobicContact CD1-CD1 4.02Å; T115-I118 PolarHBondContact O-N 2.88Å; T115-I118 WeakPolarHBondContact OG1-CD1 3.44Å; T115-I118 VanDerWaalsContact OG1-CG1 3.3Å; T115-I118 WeakPolarHBondContact OG1-CG1 3.22Å; T115-I118 PolarHBondContact OG1-N 2.99Å; A116-I118 PolarHBondContact O-N 3.32Å; I118-R206 PolarHBondContact O-NH1 2.81Å
119	G	98.1	Very high	98.1	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.031	24%	0.241	C	C	.	.	S	Bend	trans	92.3	-167.5	-179.1	0	0	0	0	0	111.9	T115 A116 D121 D208	T115-G119 PolarHBondContact O-N 2.86Å; A116-G119 PolarHBondContact O-N 3.07Å; A116-G119 VanDerWaalsContact O-N 3.08Å; G119-D121 PolarHBondContact O-N 3.48Å; G119-D121 VanDerWaalsContact O-N 3.15Å; G119-D208 WeakPolarHBondContact CA-OD2 3.4Å
120	A	98.6	Very high	98	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.025	25%	0.249	C	C	.	.			trans	54.1	27.4	-171	0	0	0	0	0	114	H110 Q112 F113 I122 D208 Y263	H110-A120 HydrophobicContact CB-CB 4.37Å; H110-A120 WeakPolarHBondContact ND1-CB 3.3Å; Q112-A120 HydrophobicContact CB-CB 3.73Å; F113-A120 HydrophobicContact CB-CB 4.39Å; F113-A120 WeakPolarHBondContact CB-O 3.47Å; A120-I122 PolarHBondContact O-N 3.42Å; A120-D208 PolarHBondContact N-OD2 3.09Å; A120-Y263 WeakPolarHBondContact CA-OH 3.03Å; A120-Y263 HydrophobicContact CB-CE1 4.34Å; A120-Y263 PolarHBondContact N-OH 3.26Å
121	D	98.8	Very high	98	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	C	.	.			trans	-78.6	69.9	-178.4	-174.1	24.3	0	0	0	111.5	A73 H74 F113 A116 G119 S243 T258	A73-D121 WeakPolarHBondContact CA-OD1 3.17Å; A73-D121 WeakPolarHBondContact CB-OD1 3.37Å; A73-D121 PolarHBondContact N-OD1 3.25Å; H74-D121 IonicContact CE1-OD2 3.78Å; H74-D121 PolarHBondContact CE1-OD2 2.98Å; H74-D121 IonicContact CG-OD1 3.82Å; H74-D121 IonicContact CG-OD2 3.07Å; H74-D121 PolarHBondContact N-OD1 3.18Å; H74-D121 VanDerWaalsContact ND1-CG 3.32Å; H74-D121 IonicContact ND1-OD1 3.18Å; H74-D121 PolarHBondContact ND1-OD1 3.07Å; H74-D121 IonicContact ND1-OD2 3.51Å; H74-D121 PolarHBondContact ND1-OD2 2.94Å; F113-D121 HydrophobicContact CD2-CB 4.05Å; F113-D121 HydrophobicContact CE2-CB 3.88Å; F113-D121 WeakPolarHBondContact CE2-OD1 3.08Å; A116-D121 HydrophobicContact CB-CB 4.44Å; G119-D121 PolarHBondContact O-N 3.48Å; G119-D121 VanDerWaalsContact O-N 3.15Å; D121-S243 WeakPolarHBondContact CB-OG 3.35Å; D121-S243 WeakPolarHBondContact OD2-CA 3.2Å; D121-S243 WeakPolarHBondContact OD2-CB 3.26Å; D121-S243 PolarHBondContact OD2-OG 2.64Å; D121-T258 PolarHBondContact O-OG1 2.76Å
122	I	98.9	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.			trans	-146.4	138.1	-177.2	-160.8	169	0	0	0	110.8	L70 H110 A120 T258 Y263 W266 I267	L70-I122 HydrophobicContact CD1-CD1 3.74Å; L70-I122 HydrophobicContact CD1-CG1 3.5Å; L70-I122 VanDerWaalsContact CD1-CG1 3.5Å; H110-I122 HydrophobicContact CB-CG2 3.7Å; H110-I122 WeakPolarHBondContact CB-O 3.08Å; H110-I122 PolarHBondContact N-O 3.06Å; H110-I122 VanDerWaalsContact N-O 3.1Å; A120-I122 PolarHBondContact O-N 3.42Å; I122-T258 HydrophobicContact CB-CG2 4.15Å; I122-T258 HydrophobicContact CD1-CG2 4.48Å; I122-Y263 HydrophobicContact CD1-CD2 4.2Å; I122-Y263 HydrophobicContact CD1-CG 4.17Å; I122-Y263 HydrophobicContact CG2-CD1 4.07Å; I122-Y263 HydrophobicContact CG2-CD2 4.24Å; I122-Y263 HydrophobicContact CG2-CE1 4.46Å; I122-Y263 HydrophobicContact CG2-CG 3.97Å; I122-W266 HydrophobicContact CD1-CZ3 4.45Å; I122-W266 HydrophobicContact CG1-CZ3 4.14Å; I122-W266 HydrophobicContact CG2-CE3 4.2Å; I122-W266 HydrophobicContact CG2-CH2 4.37Å; I122-W266 HydrophobicContact CG2-CZ3 3.9Å; I122-I267 HydrophobicContact CD1-CD1 4.14Å
123	A	98.9	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155	178.3	0	0	0	0	0	111.7	L70 T71 A73 V76 I108 V109	L70-A123 WeakPolarHBondContact CD1-O 3.36Å; T71-A123 HydrophobicContact CG2-CB 4.05Å; T71-A123 PolarHBondContact N-O 3.11Å; T71-A123 PolarHBondContact O-N 3.21Å; A73-A123 HydrophobicContact CB-CB 4.39Å; V76-A123 HydrophobicContact CG2-CB 3.72Å; I108-A123 CarbonylContact O-C 3.47Å; I108-A123 VanDerWaalsContact O-CA 3.24Å; I108-A123 WeakPolarHBondContact O-CA 3.42Å; V109-A123 HydrophobicContact CG2-CB 4.27Å
124	L	98.9	Very high	97.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.4	172.7	-67.8	167.8	0	0	0	109.7	I64 W68 V69 L70 I108 W266 Y270 V271	I64-L124 HydrophobicContact CD1-CD2 3.76Å; W68-L124 HydrophobicContact CE3-CB 3.9Å; W68-L124 HydrophobicContact CE3-CD1 4.47Å; W68-L124 HydrophobicContact CE3-CD2 4.49Å; W68-L124 HydrophobicContact CZ3-CB 3.85Å; W68-L124 HydrophobicContact CZ3-CD1 4.32Å; V69-L124 WeakPolarHBondContact O-CA 3.29Å; L70-L124 HydrophobicContact CD1-CD2 3.99Å; I108-L124 HydrophobicContact CB-CB 4.25Å; I108-L124 PolarHBondContact N-O 3.31Å; I108-L124 PolarHBondContact O-N 3.3Å; L124-W266 HydrophobicContact CB-CH2 4.3Å; L124-W266 HydrophobicContact CD1-CE3 4.42Å; L124-W266 HydrophobicContact CD1-CH2 3.85Å; L124-W266 HydrophobicContact CD1-CZ2 4.41Å; L124-W266 HydrophobicContact CD1-CZ3 3.86Å; L124-W266 HydrophobicContact CG-CH2 3.67Å; L124-W266 HydrophobicContact CG-CZ3 3.74Å; L124-Y270 HydrophobicContact CD1-CD2 3.84Å; L124-Y270 HydrophobicContact CD1-CG 4.21Å; L124-V271 HydrophobicContact CD1-CG2 3.98Å; L124-V271 HydrophobicContact CD2-CG2 3.9Å
125	L	98.8	Very high	97.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.5	169.4	-45.8	177	0	0	0	108.1	L48 W68 V69 T71 V76 L86 V88 V104 R106 I107	L48-L125 HydrophobicContact CD1-CD1 3.94Å; L48-L125 HydrophobicContact CD2-CD1 3.44Å; L48-L125 VanDerWaalsContact CD2-CD1 3.44Å; L48-L125 HydrophobicContact CG-CD1 4.36Å; W68-L125 WeakPolarHBondContact CA-O 3.41Å; V69-L125 HydrophobicContact CB-CB 4.19Å; V69-L125 HydrophobicContact CG1-CD1 4.27Å; V69-L125 PolarHBondContact N-O 2.81Å; V69-L125 PolarHBondContact O-N 3.14Å; T71-L125 HydrophobicContact CG2-CD1 4.18Å; T71-L125 HydrophobicContact CG2-CD2 4.36Å; T71-L125 HydrophobicContact CG2-CG 4.06Å; V76-L125 HydrophobicContact CG1-CD2 4.25Å; V76-L125 HydrophobicContact CG2-CD2 4.48Å; L86-L125 HydrophobicContact CD2-CD1 4.35Å; L86-L125 HydrophobicContact CD2-CD2 4.19Å; V88-L125 HydrophobicContact CG2-CD1 4.11Å; V104-L125 HydrophobicContact CG1-CB 4.08Å; R106-L125 WeakPolarHBondContact O-CA 3.45Å; I107-L125 HydrophobicContact CB-CD2 4.31Å; I107-L125 HydrophobicContact CG1-CD2 3.76Å; I107-L125 HydrophobicContact CG2-CD2 4.17Å
126	E	98.7	Very high	97.3	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.154	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.4	169.7	-165.6	171.7	-149.3	0	0	108.7	Q67 W68 V104 S105 R106	Q67-E126 HydrophobicContact CG-CG 4.16Å; Q67-E126 WeakPolarHBondContact O-CA 3.43Å; W68-E126 HydrophobicContact CD2-CB 4.37Å; W68-E126 HydrophobicContact CD2-CG 4.34Å; W68-E126 HydrophobicContact CE3-CB 4.01Å; W68-E126 HydrophobicContact CE3-CG 4.46Å; W68-E126 HydrophobicContact CH2-CB 3.98Å; W68-E126 HydrophobicContact CH2-CG 4.16Å; W68-E126 HydrophobicContact CZ2-CB 4.29Å; W68-E126 HydrophobicContact CZ2-CG 3.97Å; W68-E126 WeakPolarHBondContact CZ2-OE1 3.45Å; W68-E126 HydrophobicContact CZ3-CB 3.82Å; W68-E126 HydrophobicContact CZ3-CG 4.38Å; V104-E126 WeakPolarHBondContact CA-O 3.34Å; V104-E126 WeakPolarHBondContact CG1-O 3.34Å; S105-E126 PolarHBondContact N-O 2.86Å; S105-E126 PolarHBondContact OG-O 2.95Å; R106-E126 HydrophobicContact CB-CB 3.95Å; R106-E126 IonicContact CZ-OE2 3.25Å; R106-E126 PolarHBondContact N-O 2.86Å; R106-E126 IonicContact NE-OE2 3.82Å; R106-E126 PolarHBondContact NE-OE2 3.11Å; R106-E126 VanDerWaalsContact NH2-CD 3.26Å; R106-E126 IonicContact NH2-OE1 2.71Å; R106-E126 PolarHBondContact NH2-OE1 2.83Å; R106-E126 IonicContact NH2-OE2 3.07Å; R106-E126 PolarHBondContact NH2-OE2 3.05Å; R106-E126 PolarHBondContact O-N 3.45Å
127	L	98.7	Very high	97.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.4	174.3	-56.6	177.2	0	0	0	109.2	L63 Q67 V69 V88 L102 S105 E129 V131	L63-L127 HydrophobicContact CD1-CD1 4.39Å; Q67-L127 HydrophobicContact CG-CB 4.24Å; Q67-L127 VanDerWaalsContact CG-O 3.23Å; Q67-L127 WeakPolarHBondContact CG-O 3.29Å; Q67-L127 PolarHBondContact NE2-O 3.08Å; Q67-L127 PolarHBondContact O-N 3.35Å; V69-L127 HydrophobicContact CG2-CD2 4.43Å; V88-L127 HydrophobicContact CB-CD2 3.9Å; V88-L127 HydrophobicContact CG1-CD2 4.21Å; V88-L127 HydrophobicContact CG2-CD2 3.83Å; L102-L127 HydrophobicContact CB-CD2 4.45Å; L102-L127 HydrophobicContact CD1-CD1 4.13Å; S105-L127 PolarHBondContact OG-O 2.85Å; L127-E129 WeakPolarHBondContact CB-O 3.44Å; L127-E129 PolarHBondContact O-N 3.18Å; L127-V131 HydrophobicContact CD1-CG1 3.63Å
128	E	98.3	Very high	97.4	Very high	114 Å²	114	47.7 Å²	47.7	53%	0.533	26%	0.262	S	S	.	.	S	Bend	trans	-61.7	-36.8	175.8	-163.9	168.8	178.8	0	0	111.5	P103	P103-E128 HydrophobicContact CB-CB 4.28Å; P103-E128 WeakPolarHBondContact CB-OE2 3.27Å; P103-E128 HydrophobicContact CG-CB 3.79Å; P103-E128 WeakPolarHBondContact CG-OE2 3.27Å; P103-E128 PolarHBondContact O-N 2.92Å; P103-E128 VanDerWaalsContact O-N 3.15Å
129	E	97.5	Very high	97.5	Very high	142 Å²	142	44.2 Å²	44.2	66%	0.664	25%	0.245	S	C	*	.	S	Bend	trans	-126.8	142.9	178	-67.3	-66.1	164.7	0	0	110.9	L127	L127-E129 WeakPolarHBondContact CB-O 3.44Å; L127-E129 PolarHBondContact O-N 3.18Å
130	P	97.9	Very high	97.5	Very high	66 Å²	66	44.3 Å²	44.3	43%	0.429	25%	0.245	S	C	.	.			trans	-69	141.3	174.3	29.8	-34.3	0	0	0	111.3	P66 Q67	P66-P130 HydrophobicContact CB-CB 4.18Å; P66-P130 CarbonylContact O-C 3.57Å; P66-P130 WeakPolarHBondContact O-CA 3.33Å; Q67-P130 HydrophobicContact CB-CB 4.27Å
131	V	97.1	Very high	97.5	Very high	15 Å²	15	47.3 Å²	47.3	9%	0.091	26%	0.263	C	S	.	.			trans	-84.3	141	178.2	-49.5	0	0	0	0	111.7	L63 P66 L90 L102 L127 V133	L63-V131 HydrophobicContact CD1-CG2 4.16Å; L63-V131 HydrophobicContact CD2-CG2 3.58Å; P66-V131 WeakPolarHBondContact O-CG2 3.45Å; P66-V131 PolarHBondContact O-N 2.81Å; L90-V131 HydrophobicContact CD1-CB 3.92Å; L90-V131 HydrophobicContact CD1-CG1 3.69Å; L90-V131 HydrophobicContact CD1-CG2 4.28Å; L90-V131 HydrophobicContact CD2-CG1 4.19Å; L90-V131 HydrophobicContact CG-CG1 4.45Å; L102-V131 HydrophobicContact CD1-CG1 3.55Å; L127-V131 HydrophobicContact CD1-CG1 3.63Å; V131-V133 PolarHBondContact O-N 3.4Å
132	N	95.3	Very high	97.5	Very high	156 Å²	156	48.9 Å²	48.9	83%	0.834	27%	0.271	S	S	*	.			trans	-75.4	112.3	171	-69.9	-41.4	0	0	0	109.9
133	V	94.1	Very high	97.4	Very high	71 Å²	71	49.1 Å²	49.1	43%	0.43	27%	0.273	S	S	.	.			trans	-70.7	145.3	177.8	-62.7	0	0	0	0	111.5	P66 V131 V137 H138	P66-V133 HydrophobicContact CG-CG1 4.33Å; V131-V133 PolarHBondContact O-N 3.4Å; V133-V137 CarbonylContact C-O 3.46Å; V133-V137 VanDerWaalsContact CA-O 3.29Å; V133-V137 WeakPolarHBondContact CA-O 3.3Å; V133-H138 HydrophobicContact CB-CB 4.31Å
134	S	95.2	Very high	97.4	Very high	55 Å²	55	52.4 Å²	52.4	39%	0.385	29%	0.294	S	S	.	.			trans	-146.9	-175.9	-177.7	69.4	0	0	0	0	110.7	H136 V137	S134-H136 PolarHBondContact O-N 3.17Å; S134-H136 PolarHBondContact OG-N 2.96Å; S134-V137 PolarHBondContact N-O 3.27Å; S134-V137 CarbonylContact O-C 3.54Å; S134-V137 VanDerWaalsContact O-O 3.11Å; S134-V137 PolarHBondContact OG-N 2.82Å; S134-V137 VanDerWaalsContact OG-N 3.13Å
135	S	93.9	Very high	97.3	Very high	118 Å²	118	56.2 Å²	56.2	83%	0.825	33%	0.326	S	S	*	.	S	Bend	trans	-66.8	-24.7	172.3	55.8	0	0	0	0	113.5
136	H	95.6	Very high	97.2	Very high	54 Å²	54	61 Å²	61	25%	0.25	36%	0.359	C	S	.	.	S	Bend	trans	-93.4	-28.2	179.5	-168.6	59.1	0	0	0	113.1	R39 P43 R91 S134	R39-H136 PolarHBondContact O-CE1 3.25Å; R39-H136 PolarHBondContact O-ND1 2.9Å; P43-H136 VanDerWaalsContact CA-O 3.26Å; P43-H136 WeakPolarHBondContact CA-O 3.33Å; P43-H136 WeakPolarHBondContact CB-O 3.3Å; R91-H136 PolarHBondContact O-NE2 2.82Å; S134-H136 PolarHBondContact O-N 3.17Å; S134-H136 PolarHBondContact OG-N 2.96Å
137	V	97.4	Very high	97.2	Very high	17 Å²	17	61.1 Å²	61.1	10%	0.103	36%	0.36	C	S	.	.	S	Bend	trans	-131.6	111	-178.2	-180	0	0	0	0	109.5	P43 L63 L90 R91 V133 S134	P43-V137 WeakPolarHBondContact O-CA 3.35Å; L63-V137 HydrophobicContact CD2-CG1 4.22Å; L90-V137 HydrophobicContact CB-CG1 4.16Å; L90-V137 HydrophobicContact CB-CG2 4.3Å; L90-V137 HydrophobicContact CD1-CG1 3.72Å; L90-V137 HydrophobicContact CD2-CG1 4.48Å; L90-V137 HydrophobicContact CG-CG1 4.34Å; R91-V137 HydrophobicContact CB-CG2 4.31Å; V133-V137 CarbonylContact C-O 3.46Å; V133-V137 VanDerWaalsContact CA-O 3.29Å; V133-V137 WeakPolarHBondContact CA-O 3.3Å; S134-V137 PolarHBondContact N-O 3.27Å; S134-V137 CarbonylContact O-C 3.54Å; S134-V137 VanDerWaalsContact O-O 3.11Å; S134-V137 PolarHBondContact OG-N 2.82Å; S134-V137 VanDerWaalsContact OG-N 3.13Å
138	H	97.6	Very high	97.1	Very high	70 Å²	70	65.5 Å²	65.5	32%	0.324	39%	0.387	S	S	.	.			trans	-155.8	167.6	174.7	69.5	74	0	0	0	111.4	P43 W44 V133	P43-H138 CarbonylContact C-O 3.54Å; P43-H138 WeakPolarHBondContact CG-CD2 3.35Å; P43-H138 WeakPolarHBondContact CG-CE1 3.3Å; P43-H138 WeakPolarHBondContact CG-NE2 3.42Å; P43-H138 PolarHBondContact O-N 3.22Å; P43-H138 VanDerWaalsContact O-N 3.16Å; W44-H138 WeakPolarHBondContact CA-O 3.42Å; W44-H138 VanDerWaalsContact CB-O 3.3Å; W44-H138 WeakPolarHBondContact CB-O 3.16Å; W44-H138 AromaticContact CE3-CE1 3.95Å; W44-H138 AromaticContact CZ3-CE1 3.85Å; W44-H138 PolarHBondContact N-O 3.48Å; V133-H138 HydrophobicContact CB-CB 4.31Å
139	T	98.5	Very high	97.1	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.1	149.6	-174.1	64.9	0	0	0	0	112.8	L63 K274	L63-T139 HydrophobicContact CD2-CG2 4.34Å; L63-T139 HydrophobicContact CG-CG2 4.32Å; L63-T139 CarbonylContact O-C 3.58Å; L63-T139 WeakPolarHBondContact O-CA 3.24Å; T139-K274 PolarHBondContact OG1-NZ 3.04Å
140	V	98.6	Very high	97.1	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-80.9	156.2	161.7	66.3	0	0	0	0	110.4	W44 L63 I64 V229 Q238	W44-V140 HydrophobicContact CB-CB 3.79Å; W44-V140 HydrophobicContact CB-CG1 4.29Å; W44-V140 HydrophobicContact CD2-CB 3.58Å; W44-V140 HydrophobicContact CD2-CG2 3.86Å; W44-V140 HydrophobicContact CE3-CB 3.93Å; W44-V140 HydrophobicContact CE3-CG2 4.23Å; W44-V140 HydrophobicContact CG-CB 3.52Å; W44-V140 HydrophobicContact CG-CG1 4.3Å; W44-V140 HydrophobicContact CG-CG2 4.17Å; W44-V140 HydrophobicContact CZ2-CG2 4.23Å; L63-V140 PolarHBondContact O-N 3Å; I64-V140 HydrophobicContact CG2-CG1 3.74Å; V140-V229 HydrophobicContact CG2-CG1 3.95Å; V140-Q238 HydrophobicContact CG1-CB 4.26Å; V140-Q238 HydrophobicContact CG2-CB 3.98Å
141	T	98.4	Very high	97.1	Very high	66 Å²	66	56 Å²	56	41%	0.405	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-91.3	131.7	176.6	-53	0	0	0	0	109.3	T235 L237 Q238	T141-T235 HydrophobicContact CG2-CG2 4.48Å; T141-L237 HydrophobicContact CG2-CD2 3.6Å; T141-L237 WeakPolarHBondContact O-CA 3.09Å; T141-Q238 PolarHBondContact O-N 3.13Å
142	L	98.6	Very high	97.1	Very high	33 Å²	33	59.1 Å²	59.1	17%	0.173	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-79.3	145	170.8	-62.7	179	0	0	0	110	I64 L70 V260 L264 I267	I64-L142 HydrophobicContact CD1-CD1 4.46Å; I64-L142 HydrophobicContact CG2-CD2 3.94Å; I64-L142 HydrophobicContact CG2-CG 4.49Å; L70-L142 HydrophobicContact CD2-CD2 4.33Å; L142-V260 HydrophobicContact CD2-CG1 3.89Å; L142-L264 HydrophobicContact CB-CD2 4.06Å; L142-L264 HydrophobicContact CD1-CD2 4.37Å; L142-I267 HydrophobicContact CD1-CD1 4.44Å; L142-I267 HydrophobicContact CD1-CG2 3.77Å
143	P	98.1	Very high	97.1	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.039	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-71.7	158.1	-179	28.2	-33.8	0	0	0	112.8	E147 F149 L237 Q238 V260 T261 L264	P143-E147 HydrophobicContact CB-CB 4.07Å; P143-E147 HydrophobicContact CB-CG 4.42Å; P143-F149 HydrophobicContact CB-CE2 4.07Å; P143-F149 HydrophobicContact CB-CZ 3.7Å; P143-F149 HydrophobicContact CG-CE2 4.08Å; P143-F149 HydrophobicContact CG-CZ 3.98Å; P143-L237 HydrophobicContact CB-CB 4.37Å; P143-L237 HydrophobicContact CB-CD1 4.23Å; P143-Q238 WeakPolarHBondContact CD-O 3.42Å; P143-V260 HydrophobicContact CG-CB 4.42Å; P143-V260 HydrophobicContact CG-CG1 4.07Å; P143-T261 HydrophobicContact CB-CG2 3.95Å; P143-T261 HydrophobicContact CG-CG2 3.55Å; P143-L264 VanDerWaalsContact O-CD1 3.27Å; P143-L264 WeakPolarHBondContact O-CD1 3.1Å
144	P	97.4	Very high	97.1	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-66.9	151.4	161.1	31.6	-33.6	0	0	0	109.9	S146 E147 T261	P144-S146 PolarHBondContact O-N 2.74Å; P144-E147 HydrophobicContact CG-CB 4.13Å; P144-E147 WeakPolarHBondContact O-CB 3.16Å; P144-E147 PolarHBondContact O-N 3Å; P144-T261 WeakPolarHBondContact O-CG2 3.39Å
145	A	97.2	Very high	97.3	Very high	79 Å²	79	50 Å²	50	65%	0.653	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.8	-179.3	0	0	0	0	0	113.8	E147 L264	A145-E147 VanDerWaalsContact C-N 3.32Å; A145-L264 HydrophobicContact CB-CD1 3.98Å
146	S	97	Very high	97.5	Very high	102 Å²	102	47 Å²	47	71%	0.713	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.7	177.8	60.5	0	0	0	0	114.5	P144	P144-S146 PolarHBondContact O-N 2.74Å
147	E	98	Very high	97.7	Very high	34 Å²	34	44.5 Å²	44.5	16%	0.159	29%	0.287	C	S	.	.			trans	-74.7	129.7	-179.3	-175.1	55.5	-108.4	0	0	110.9	P143 P144 A145 F149 M153	P143-E147 HydrophobicContact CB-CB 4.07Å; P143-E147 HydrophobicContact CB-CG 4.42Å; P144-E147 HydrophobicContact CG-CB 4.13Å; P144-E147 WeakPolarHBondContact O-CB 3.16Å; P144-E147 PolarHBondContact O-N 3Å; A145-E147 VanDerWaalsContact C-N 3.32Å; E147-F149 HydrophobicContact CB-CE2 4.23Å; E147-F149 HydrophobicContact CB-CZ 4.3Å; E147-F149 HydrophobicContact CG-CD1 3.87Å; E147-F149 HydrophobicContact CG-CD2 3.96Å; E147-F149 HydrophobicContact CG-CE1 3.55Å; E147-F149 HydrophobicContact CG-CE2 3.64Å; E147-F149 HydrophobicContact CG-CG 4.08Å; E147-F149 HydrophobicContact CG-CZ 3.45Å; E147-F149 VanDerWaalsContact CG-CZ 3.45Å; E147-F149 PolarHBondContact OE1-N 3.17Å; E147-M153 WeakPolarHBondContact OE1-CE 3.14Å
148	T	96.8	Very high	97.8	Very high	93 Å²	93	43.7 Å²	43.7	57%	0.571	28%	0.282	S	S	*	.			trans	-108	-20.4	-172.8	58	0	0	0	0	113.2	R259	T148-R259 PolarHBondContact O-NH1 2.89Å
149	F	98.2	Very high	97.8	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	27%	0.267	C	S	.	.			trans	53.4	66.2	-175.5	-54	-76.8	0	0	0	113.6	P143 E147 M153 I182 L210 C230 V232 L237 A239 T261	P143-F149 HydrophobicContact CB-CE2 4.07Å; P143-F149 HydrophobicContact CB-CZ 3.7Å; P143-F149 HydrophobicContact CG-CE2 4.08Å; P143-F149 HydrophobicContact CG-CZ 3.98Å; E147-F149 HydrophobicContact CB-CE2 4.23Å; E147-F149 HydrophobicContact CB-CZ 4.3Å; E147-F149 HydrophobicContact CG-CD1 3.87Å; E147-F149 HydrophobicContact CG-CD2 3.96Å; E147-F149 HydrophobicContact CG-CE1 3.55Å; E147-F149 HydrophobicContact CG-CE2 3.64Å; E147-F149 HydrophobicContact CG-CG 4.08Å; E147-F149 HydrophobicContact CG-CZ 3.45Å; E147-F149 VanDerWaalsContact CG-CZ 3.45Å; E147-F149 PolarHBondContact OE1-N 3.17Å; F149-M153 HydrophobicContact CB-SD 4.29Å; F149-M153 HydrophobicContact CD1-SD 3.88Å; F149-I182 VanDerWaalsContact O-CG2 3.23Å; F149-I182 WeakPolarHBondContact O-CG2 3.38Å; F149-L210 HydrophobicContact CB-CD1 4.27Å; F149-L210 HydrophobicContact CD2-CD1 4.35Å; F149-C230 HydrophobicContact CD1-CB 3.75Å; F149-C230 HydrophobicContact CE1-CB 3.87Å; F149-V232 HydrophobicContact CE1-CG2 4.3Å; F149-L237 HydrophobicContact CE1-CB 4.23Å; F149-L237 HydrophobicContact CZ-CB 4.26Å; F149-A239 HydrophobicContact CB-CB 4.43Å; F149-A239 HydrophobicContact CD1-CB 3.63Å; F149-A239 HydrophobicContact CD2-CB 3.63Å; F149-A239 HydrophobicContact CE1-CB 3.58Å; F149-A239 VanDerWaalsContact CE2-CA 3.48Å; F149-A239 HydrophobicContact CE2-CB 3.59Å; F149-A239 HydrophobicContact CG-CB 3.62Å; F149-A239 VanDerWaalsContact CZ-CA 3.46Å; F149-A239 HydrophobicContact CZ-CB 3.53Å; F149-T261 HydrophobicContact CE2-CG2 4.25Å
150	P	98.1	Very high	97.8	Very high	59 Å²	59	40.2 Å²	40.2	38%	0.383	27%	0.265	S	S	.	.			trans	-68.9	163.8	-179.4	29.4	-37.3	0	0	0	113.5	M153	P150-M153 HydrophobicContact CG-CE 4.24Å; P150-M153 HydrophobicContact CG-CG 4.37Å; P150-M153 PolarHBondContact O-N 2.79Å
151	P	98.2	Very high	97.7	Very high	61 Å²	61	40.1 Å²	40.1	40%	0.396	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	147.7	169.2	-25.7	34.3	0	0	0	113	M153 E184	P151-M153 VanDerWaalsContact C-N 3.32Å; P151-E184 HydrophobicContact CG-CG 3.62Å
152	G	96.4	Very high	97.6	Very high	80 Å²	80	37.2 Å²	37.2	83%	0.825	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	-13.8	-177.1	0	0	0	0	0	114.5
153	M	95.6	Very high	97.4	Very high	40 Å²	40	36 Å²	36	20%	0.197	24%	0.241	C	C	.	.			trans	-62.9	140.3	173.7	-82.6	-160.9	170.4	0	0	112.7	E147 F149 P150 P151 C155 V232	E147-M153 WeakPolarHBondContact OE1-CE 3.14Å; F149-M153 HydrophobicContact CB-SD 4.29Å; F149-M153 HydrophobicContact CD1-SD 3.88Å; P150-M153 HydrophobicContact CG-CE 4.24Å; P150-M153 HydrophobicContact CG-CG 4.37Å; P150-M153 PolarHBondContact O-N 2.79Å; P151-M153 VanDerWaalsContact C-N 3.32Å; M153-C155 PolarHBondContact O-N 2.85Å; M153-V232 HydrophobicContact CE-CG2 4.07Å; M153-V232 HydrophobicContact SD-CG2 4.22Å
154	P	95.4	Very high	97.1	Very high	50 Å²	50	37.3 Å²	37.3	33%	0.325	25%	0.248	S	C	.	.			trans	-78.9	91	177	32.1	-34	0	0	0	110.8	K231	P154-K231 HydrophobicContact CG-CB 4.2Å; P154-K231 PolarHBondContact O-N 2.89Å
155	C	98.5	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.3	-179.9	-53	0	0	0	0	112.6	M153 K179 V180 I182 L228 V229 C230	M153-C155 PolarHBondContact O-N 2.85Å; C155-K179 WeakPolarHBondContact O-CA 3.42Å; C155-K179 WeakPolarHBondContact O-CG 3.43Å; C155-V180 PolarHBondContact O-N 2.95Å; C155-V180 VanDerWaalsContact O-N 3.14Å; C155-I182 HydrophobicContact CB-CD1 3.91Å; C155-I182 HydrophobicContact CB-CG1 4.19Å; C155-I182 WeakPolarHBondContact SG-CG1 3.44Å; C155-L228 HydrophobicContact CB-CD1 3.99Å; C155-V229 CarbonylContact C-O 3.55Å; C155-V229 VanDerWaalsContact CA-O 3.22Å; C155-V229 WeakPolarHBondContact CA-O 3.3Å; C155-C230 HydrophobicContact CB-CB 4.12Å; C155-C230 WeakPolarHBondContact CB-SG 3.06Å; C155-C230 WeakPolarHBondContact SG-CB 3.46Å; C155-C230 CovalentContact SG-SG 2.04Å; C155-C230 PolarHBondContact SG-SG 3.03Å
156	W	98.8	Very high	96.4	Very high	56 Å²	56	40 Å²	40	21%	0.212	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.7	-179.7	-67.7	78.3	0	0	0	110.2	W42 Q177 V178 K179 V229 W236	W42-W156 HydrophobicContact CH2-CB 3.73Å; W42-W156 HydrophobicContact CH2-CD2 4.22Å; W42-W156 AromaticContact CH2-CG 3.73Å; W42-W156 HydrophobicContact CH2-CG 3.73Å; W42-W156 HydrophobicContact CZ2-CB 4.13Å; W42-W156 HydrophobicContact CZ2-CD2 4.19Å; W42-W156 HydrophobicContact CZ2-CE3 4.36Å; W42-W156 HydrophobicContact CZ2-CG 4.11Å; W42-W156 HydrophobicContact CZ3-CB 4.4Å; W156-Q177 HydrophobicContact CE3-CB 3.99Å; W156-Q177 HydrophobicContact CE3-CG 4.07Å; W156-Q177 HydrophobicContact CZ3-CB 4.3Å; W156-Q177 HydrophobicContact CZ3-CG 3.89Å; W156-V178 VanDerWaalsContact CA-O 3.29Å; W156-V178 WeakPolarHBondContact CA-O 3.47Å; W156-K179 HydrophobicContact CD2-CB 3.94Å; W156-K179 HydrophobicContact CD2-CG 4.47Å; W156-K179 HydrophobicContact CE3-CB 4.05Å; W156-K179 VanDerWaalsContact CE3-N 3.35Å; W156-K179 HydrophobicContact CH2-CB 3.91Å; W156-K179 HydrophobicContact CZ2-CB 3.8Å; W156-K179 HydrophobicContact CZ2-CD 4.36Å; W156-K179 HydrophobicContact CZ2-CG 4.3Å; W156-K179 HydrophobicContact CZ3-CB 4.01Å; W156-V229 HydrophobicContact CB-CG2 4.32Å; W156-V229 PolarHBondContact N-O 3.2Å; W156-V229 PolarHBondContact O-N 3.08Å; W156-W236 AromaticContact CD1-CH2 3.59Å; W156-W236 AromaticContact CD1-CZ3 3.8Å; W156-W236 AromaticContact NE1-CH2 3.98Å
157	V	98.7	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.9	167.7	63.1	0	0	0	0	109.1	I31 Q177 V178 V180 L228 V242 Y257	I31-V157 HydrophobicContact CG2-CG1 4.42Å; V157-Q177 WeakPolarHBondContact O-CA 3.2Å; V157-V178 HydrophobicContact CG1-CG1 3.53Å; V157-V178 PolarHBondContact N-O 2.93Å; V157-V178 PolarHBondContact O-N 2.84Å; V157-V180 HydrophobicContact CG1-CG1 3.88Å; V157-V180 HydrophobicContact CG1-CG2 4.43Å; V157-L228 HydrophobicContact CB-CD1 4.26Å; V157-V242 HydrophobicContact CG2-CG2 3.56Å; V157-Y257 HydrophobicContact CB-CE1 4.4Å; V157-Y257 HydrophobicContact CG2-CE1 3.94Å
158	T	98.8	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.5	-173.5	50.2	0	0	0	0	111.6	W42 Q45 K176 Q177	W42-T158 HydrophobicContact CB-CG2 4.39Å; W42-T158 VanDerWaalsContact CD1-CG2 3.5Å; W42-T158 HydrophobicContact CD2-CG2 3.71Å; W42-T158 HydrophobicContact CE3-CG2 4.49Å; W42-T158 HydrophobicContact CG-CG2 3.61Å; W42-T158 HydrophobicContact CZ2-CG2 4.37Å; Q45-T158 PolarHBondContact OE1-O 3.19Å; Q45-T158 PolarHBondContact OE1-OG1 2.79Å; T158-K176 VanDerWaalsContact CA-O 3.27Å; T158-K176 WeakPolarHBondContact CA-O 3.41Å; T158-Q177 HydrophobicContact CG2-CB 3.75Å
159	G	98.5	Very high	96.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-177.1	179.8	0	0	0	0	0	114	K176 D223	G159-K176 PolarHBondContact N-O 3.31Å; G159-K176 PolarHBondContact O-N 2.77Å; G159-D223 VanDerWaalsContact CA-OD1 3.25Å; G159-D223 WeakPolarHBondContact CA-OD1 3.42Å
160	W	98.5	Very high	96.1	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.03	26%	0.255	C	S	.	.	S	Bend	trans	-120.8	21	178	-62.7	-88.6	0	0	0	112.1	Q45 E92 L95 L169 F173 L175 D223	Q45-W160 HydrophobicContact CG-CE3 4.45Å; Q45-W160 HydrophobicContact CG-CH2 3.53Å; Q45-W160 HydrophobicContact CG-CZ2 4.49Å; Q45-W160 HydrophobicContact CG-CZ3 3.5Å; E92-W160 WeakPolarHBondContact O-CZ2 3.31Å; L95-W160 HydrophobicContact CD1-CB 3.63Å; L95-W160 HydrophobicContact CD1-CD2 4.35Å; L95-W160 HydrophobicContact CD1-CG 3.73Å; L95-W160 HydrophobicContact CD2-CD2 3.77Å; L95-W160 HydrophobicContact CD2-CE3 4.18Å; L95-W160 HydrophobicContact CD2-CG 4Å; L95-W160 HydrophobicContact CD2-CZ2 4.24Å; L95-W160 HydrophobicContact CG-CB 4.24Å; L95-W160 HydrophobicContact CG-CD2 4.07Å; L95-W160 HydrophobicContact CG-CG 3.77Å; W160-L169 HydrophobicContact CB-CD2 3.95Å; W160-L169 HydrophobicContact CG-CD2 4.41Å; W160-F173 PolarHBondContact NE1-O 3.19Å; W160-L175 HydrophobicContact CD2-CD1 3.87Å; W160-L175 HydrophobicContact CE3-CD1 4.11Å; W160-L175 HydrophobicContact CG-CD1 4.49Å; W160-L175 HydrophobicContact CH2-CD1 4.06Å; W160-L175 HydrophobicContact CZ2-CB 3.91Å; W160-L175 HydrophobicContact CZ2-CD1 3.8Å; W160-L175 HydrophobicContact CZ2-CD2 4.46Å; W160-L175 HydrophobicContact CZ2-CG 4.26Å; W160-L175 HydrophobicContact CZ3-CD1 4.2Å; W160-L175 VanDerWaalsContact NE1-N 3.18Å; W160-D223 PolarHBondContact N-OD1 3.22Å
161	G	96.4	Very high	96	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	26%	0.264	C	S	.	.			trans	-72	-172.5	177	0	0	0	0	0	113.4	Q221 D223	G161-Q221 CarbonylContact C-O 3.56Å; G161-Q221 WeakPolarHBondContact CA-O 3.46Å; G161-D223 VanDerWaalsContact CA-OD1 3.31Å; G161-D223 WeakPolarHBondContact CA-OD1 3.48Å; G161-D223 PolarHBondContact N-OD1 3.09Å
162	D	96.8	Very high	96	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.032	26%	0.263	C	S	.	.			trans	-59.4	149.3	-176.4	-71.4	-2	0	0	0	111.9	E167 R168 C220 Q221	D162-E167 CarbonylContact C-O 3.33Å; D162-E167 VanDerWaalsContact CA-O 3.24Å; D162-E167 WeakPolarHBondContact CA-O 3.25Å; D162-E167 VanDerWaalsContact CB-O 3.27Å; D162-E167 WeakPolarHBondContact CB-O 3.37Å; D162-R168 WeakPolarHBondContact OD1-CD 3.45Å; D162-R168 IonicContact OD1-CZ 2.79Å; D162-R168 IonicContact OD1-NE 3.76Å; D162-R168 PolarHBondContact OD1-NE 2.79Å; D162-R168 VanDerWaalsContact OD1-NE 3.07Å; D162-R168 IonicContact OD2-NE 2.68Å; D162-C220 HydrophobicContact CB-CB 4.14Å; D162-C220 WeakPolarHBondContact O-CB 3.26Å; D162-Q221 PolarHBondContact N-O 2.83Å
163	V	93.2	Very high	96.1	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	23%	0.234	C	C	.	.	S	Bend	trans	-89.5	-23.3	-174.1	-48	0	0	0	0	113.8	E167 L169	V163-E167 HydrophobicContact CG2-CB 3.61Å; V163-E167 HydrophobicContact CG2-CG 3.38Å; V163-E167 WeakPolarHBondContact CG2-O 3.44Å; V163-E167 WeakPolarHBondContact CG2-OE1 3.27Å; V163-E167 PolarHBondContact N-O 2.88Å; V163-L169 HydrophobicContact CG1-CB 4.26Å; V163-L169 HydrophobicContact CG1-CD1 3.92Å
164	D	92.3	Very high	96.2	Very high	33 Å²	33	44.2 Å²	44.2	18%	0.176	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-159.8	179	174	-151.7	-31.8	0	0	0	106.4	R28 D166 E167	R28-D164 IonicContact NH1-OD2 3.77Å; R28-D164 PolarHBondContact NH1-OD2 3.16Å; D164-D166 PolarHBondContact O-N 3.22Å; D164-E167 HydrophobicContact CB-CB 4.1Å; D164-E167 PolarHBondContact O-N 2.95Å; D164-E167 VanDerWaalsContact O-N 3.11Å
165	N	88.4	Confident	96.4	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	123.5	176.8	-64.7	-93.8	0	0	0	110.4	E167 G247 C248 Q250	N165-E167 PolarHBondContact O-N 2.91Å; N165-E167 VanDerWaalsContact O-N 3.13Å; N165-G247 VanDerWaalsContact OD1-CA 3.3Å; N165-G247 WeakPolarHBondContact OD1-CA 3.24Å; N165-C248 PolarHBondContact ND2-O 3.31Å; N165-C248 PolarHBondContact OD1-N 3.33Å; N165-Q250 PolarHBondContact ND2-NE2 3.22Å
166	D	91.9	Very high	96.4	Very high	155 Å²	155	41.9 Å²	41.9	83%	0.829	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	16.3	-179.1	-55.6	-54.4	0	0	0	115.1	D164	D164-D166 PolarHBondContact O-N 3.22Å
167	E	94.6	Very high	96.4	Very high	99 Å²	99	39.7 Å²	39.7	46%	0.463	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-110.2	106.6	178.9	-161.8	-175.2	162	0	0	110.5	D162 V163 D164 N165	D162-E167 CarbonylContact C-O 3.33Å; D162-E167 VanDerWaalsContact CA-O 3.24Å; D162-E167 WeakPolarHBondContact CA-O 3.25Å; D162-E167 VanDerWaalsContact CB-O 3.27Å; D162-E167 WeakPolarHBondContact CB-O 3.37Å; V163-E167 HydrophobicContact CG2-CB 3.61Å; V163-E167 HydrophobicContact CG2-CG 3.38Å; V163-E167 WeakPolarHBondContact CG2-O 3.44Å; V163-E167 WeakPolarHBondContact CG2-OE1 3.27Å; V163-E167 PolarHBondContact N-O 2.88Å; D164-E167 HydrophobicContact CB-CB 4.1Å; D164-E167 PolarHBondContact O-N 2.95Å; D164-E167 VanDerWaalsContact O-N 3.11Å; N165-E167 PolarHBondContact O-N 2.91Å; N165-E167 VanDerWaalsContact O-N 3.13Å
168	R	95.3	Very high	96.3	Very high	176 Å²	176	39.9 Å²	39.9	66%	0.664	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-69.2	149.1	-177.6	-67.7	-81.2	151	147.3	6.7	112.2	D162 P170	D162-R168 WeakPolarHBondContact OD1-CD 3.45Å; D162-R168 IonicContact OD1-CZ 2.79Å; D162-R168 IonicContact OD1-NE 3.76Å; D162-R168 PolarHBondContact OD1-NE 2.79Å; D162-R168 VanDerWaalsContact OD1-NE 3.07Å; D162-R168 IonicContact OD2-NE 2.68Å; R168-P170 WeakPolarHBondContact O-CD 3.41Å
169	L	96.4	Very high	96.3	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.052	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-57.2	119.7	169.4	-174.3	70.2	0	0	0	110.9	W160 V163 F173 P174 K176	W160-L169 HydrophobicContact CB-CD2 3.95Å; W160-L169 HydrophobicContact CG-CD2 4.41Å; V163-L169 HydrophobicContact CG1-CB 4.26Å; V163-L169 HydrophobicContact CG1-CD1 3.92Å; L169-F173 HydrophobicContact CD2-CB 4.13Å; L169-F173 VanDerWaalsContact O-CD1 3.26Å; L169-F173 WeakPolarHBondContact O-CD1 3.25Å; L169-F173 VanDerWaalsContact O-CE1 3.3Å; L169-F173 WeakPolarHBondContact O-CE1 3.36Å; L169-P174 WeakPolarHBondContact CD2-O 3.31Å; L169-K176 HydrophobicContact CD1-CD 3.78Å; L169-K176 HydrophobicContact CD1-CG 3.99Å
170	P	96.8	Very high	96.3	Very high	69 Å²	69	44.4 Å²	44.4	45%	0.448	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-71.8	154.2	179.7	27.4	-34.5	0	0	0	111.9	R168 F173	R168-P170 WeakPolarHBondContact O-CD 3.41Å; P170-F173 PolarHBondContact O-N 2.68Å
171	P	97.3	Very high	96.3	Very high	88 Å²	88	46.8 Å²	46.8	57%	0.571	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	141.1	164.7	-21.4	29	0	0	0	111	F173	P171-F173 VanDerWaalsContact C-N 3.33Å; P171-F173 VanDerWaalsContact CA-N 3.31Å; P171-F173 HydrophobicContact CB-CD2 4.45Å; P171-F173 HydrophobicContact CB-CE2 3.99Å; P171-F173 HydrophobicContact CB-CZ 4.06Å; P171-F173 HydrophobicContact CG-CE1 4.01Å; P171-F173 HydrophobicContact CG-CE2 3.95Å; P171-F173 HydrophobicContact CG-CZ 3.53Å
172	P	97.6	Very high	96.4	Very high	56 Å²	56	47.2 Å²	47.2	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88	23.4	12.8	36.2	-37	0	0	0	114.4	H94 Y97	H94-P172 VanDerWaalsContact CB-O 3.3Å; H94-P172 WeakPolarHBondContact CB-O 3.47Å; H94-P172 PolarHBondContact CD2-O 2.99Å; H94-P172 VanDerWaalsContact CD2-O 3.25Å; Y97-P172 HydrophobicContact CE2-CB 3.91Å
173	F	98	Very high	96.4	Very high	50 Å²	50	48.8 Å²	48.8	22%	0.219	25%	0.252	C	S	.	.			trans	57.9	52.8	178.9	-43.2	-73.5	0	0	0	113.7	H94 L95 Y96 W160 L169 P170 P171	H94-F173 WeakPolarHBondContact CA-O 3.3Å; L95-F173 HydrophobicContact CB-CB 3.88Å; L95-F173 HydrophobicContact CB-CG 4.5Å; L95-F173 HydrophobicContact CD1-CB 4.17Å; L95-F173 HydrophobicContact CG-CB 4.17Å; L95-F173 PolarHBondContact N-O 3.42Å; Y96-F173 AromaticContact CD2-CD2 3.65Å; Y96-F173 HydrophobicContact CD2-CD2 3.65Å; Y96-F173 AromaticContact CD2-CE2 3.8Å; Y96-F173 HydrophobicContact CD2-CE2 3.8Å; Y96-F173 HydrophobicContact CD2-CG 4.37Å; Y96-F173 AromaticContact CE2-CD2 3.76Å; Y96-F173 HydrophobicContact CE2-CD2 3.76Å; Y96-F173 AromaticContact CE2-CE2 3.88Å; Y96-F173 HydrophobicContact CE2-CE2 3.88Å; Y96-F173 HydrophobicContact CE2-CG 4.09Å; Y96-F173 HydrophobicContact CE2-CZ 4.31Å; W160-F173 PolarHBondContact NE1-O 3.19Å; L169-F173 HydrophobicContact CD2-CB 4.13Å; L169-F173 VanDerWaalsContact O-CD1 3.26Å; L169-F173 WeakPolarHBondContact O-CD1 3.25Å; L169-F173 VanDerWaalsContact O-CE1 3.3Å; L169-F173 WeakPolarHBondContact O-CE1 3.36Å; P170-F173 PolarHBondContact O-N 2.68Å; P171-F173 VanDerWaalsContact C-N 3.33Å; P171-F173 VanDerWaalsContact CA-N 3.31Å; P171-F173 HydrophobicContact CB-CD2 4.45Å; P171-F173 HydrophobicContact CB-CE2 3.99Å; P171-F173 HydrophobicContact CB-CZ 4.06Å; P171-F173 HydrophobicContact CG-CE1 4.01Å; P171-F173 HydrophobicContact CG-CE2 3.95Å; P171-F173 HydrophobicContact CG-CZ 3.53Å
174	P	98.5	Very high	96.7	Very high	13 Å²	13	53.2 Å²	53.2	8%	0.084	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-68.8	143.6	-178.9	30.1	-35.3	0	0	0	111.7	E36 Q93 L169 K176	E36-P174 HydrophobicContact CB-CB 4.46Å; E36-P174 HydrophobicContact CG-CB 3.84Å; Q93-P174 CarbonylContact O-C 3.4Å; Q93-P174 WeakPolarHBondContact O-CA 3.47Å; L169-P174 WeakPolarHBondContact CD2-O 3.31Å; P174-K176 VanDerWaalsContact O-CG 3.28Å; P174-K176 WeakPolarHBondContact O-CG 3.41Å; P174-K176 PolarHBondContact O-N 3.4Å
175	L	98.7	Very high	97	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.			trans	-60.3	129.7	170.3	177.3	63.2	0	0	0	109.4	A37 W42 Q45 R91 Q93 W160	A37-L175 HydrophobicContact CB-CB 4.37Å; A37-L175 HydrophobicContact CB-CD2 4.1Å; A37-L175 HydrophobicContact CB-CG 3.98Å; A37-L175 WeakPolarHBondContact CB-O 3.44Å; A37-L175 PolarHBondContact N-O 2.94Å; W42-L175 HydrophobicContact CB-CD2 4.42Å; Q45-L175 HydrophobicContact CB-CD2 4.35Å; Q45-L175 HydrophobicContact CG-CD1 3.81Å; Q45-L175 HydrophobicContact CG-CD2 4.15Å; R91-L175 VanDerWaalsContact CZ-CD2 3.48Å; R91-L175 VanDerWaalsContact NE-CD2 3.3Å; Q93-L175 PolarHBondContact O-N 3.35Å; W160-L175 HydrophobicContact CD2-CD1 3.87Å; W160-L175 HydrophobicContact CE3-CD1 4.11Å; W160-L175 HydrophobicContact CG-CD1 4.49Å; W160-L175 HydrophobicContact CH2-CD1 4.06Å; W160-L175 HydrophobicContact CZ2-CB 3.91Å; W160-L175 HydrophobicContact CZ2-CD1 3.8Å; W160-L175 HydrophobicContact CZ2-CD2 4.46Å; W160-L175 HydrophobicContact CZ2-CG 4.26Å; W160-L175 HydrophobicContact CZ3-CD1 4.2Å; W160-L175 VanDerWaalsContact NE1-N 3.18Å
176	K	98.3	Very high	97.5	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	153.8	-177.5	-63.8	-132	57.8	-163.7	0	111.6	V29 G30 I31 G34 Q35 T158 G159 L169 P174	V29-K176 HydrophobicContact CG1-CD 4.26Å; V29-K176 PolarHBondContact O-NZ 3.42Å; G30-K176 VanDerWaalsContact C-CD 3.44Å; G30-K176 WeakPolarHBondContact O-CD 3.02Å; G30-K176 WeakPolarHBondContact O-CE 3.39Å; G30-K176 PolarHBondContact O-NZ 3.26Å; I31-K176 HydrophobicContact CB-CB 4.02Å; I31-K176 HydrophobicContact CG1-CB 3.71Å; G34-K176 PolarHBondContact O-NZ 3.21Å; Q35-K176 WeakPolarHBondContact O-CA 3.45Å; Q35-K176 VanDerWaalsContact O-CE 3.3Å; Q35-K176 WeakPolarHBondContact O-CE 3.46Å; T158-K176 VanDerWaalsContact CA-O 3.27Å; T158-K176 WeakPolarHBondContact CA-O 3.41Å; G159-K176 PolarHBondContact N-O 3.31Å; G159-K176 PolarHBondContact O-N 2.77Å; L169-K176 HydrophobicContact CD1-CD 3.78Å; L169-K176 HydrophobicContact CD1-CG 3.99Å; P174-K176 VanDerWaalsContact O-CG 3.28Å; P174-K176 WeakPolarHBondContact O-CG 3.41Å; P174-K176 PolarHBondContact O-N 3.4Å
177	Q	98.5	Very high	97.8	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143	176.2	65.8	174.7	72.6	0	0	110.8	G34 Q35 A37 W42 W156 V157 T158	G34-Q177 VanDerWaalsContact CA-O 3.27Å; G34-Q177 WeakPolarHBondContact CA-O 3.45Å; Q35-Q177 HydrophobicContact CG-CG 4.15Å; Q35-Q177 PolarHBondContact N-O 2.68Å; Q35-Q177 PolarHBondContact O-N 2.92Å; A37-Q177 VanDerWaalsContact CA-OE1 3.31Å; A37-Q177 HydrophobicContact CB-CB 4.21Å; A37-Q177 HydrophobicContact CB-CG 4.09Å; W42-Q177 HydrophobicContact CZ2-CB 4.36Å; W156-Q177 HydrophobicContact CE3-CB 3.99Å; W156-Q177 HydrophobicContact CE3-CG 4.07Å; W156-Q177 HydrophobicContact CZ3-CB 4.3Å; W156-Q177 HydrophobicContact CZ3-CG 3.89Å; V157-Q177 WeakPolarHBondContact O-CA 3.2Å; T158-Q177 HydrophobicContact CG2-CB 3.75Å
178	V	98	Very high	98	Very high	4 Å²	4	47 Å²	47	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.3	168.8	76.9	0	0	0	0	111.4	I31 W156 V157 V180 R217	I31-V178 HydrophobicContact CG2-CB 3.4Å; I31-V178 VanDerWaalsContact CG2-CB 3.4Å; I31-V178 HydrophobicContact CG2-CG1 3.07Å; W156-V178 VanDerWaalsContact CA-O 3.29Å; W156-V178 WeakPolarHBondContact CA-O 3.47Å; V157-V178 HydrophobicContact CG1-CG1 3.53Å; V157-V178 PolarHBondContact N-O 2.93Å; V157-V178 PolarHBondContact O-N 2.84Å; V178-V180 HydrophobicContact CG1-CG1 3.8Å; V178-R217 HydrophobicContact CG2-CB 3.82Å; V178-R217 HydrophobicContact CG2-CG 3.7Å
179	K	98.4	Very high	98.1	Very high	93 Å²	93	39.7 Å²	39.7	40%	0.404	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.8	173.9	-171.7	-175.3	179.6	-177.2	0	109.8	C155 W156 R217	C155-K179 WeakPolarHBondContact O-CA 3.42Å; C155-K179 WeakPolarHBondContact O-CG 3.43Å; W156-K179 HydrophobicContact CD2-CB 3.94Å; W156-K179 HydrophobicContact CD2-CG 4.47Å; W156-K179 HydrophobicContact CE3-CB 4.05Å; W156-K179 VanDerWaalsContact CE3-N 3.35Å; W156-K179 HydrophobicContact CH2-CB 3.91Å; W156-K179 HydrophobicContact CZ2-CB 3.8Å; W156-K179 HydrophobicContact CZ2-CD 4.36Å; W156-K179 HydrophobicContact CZ2-CG 4.3Å; W156-K179 HydrophobicContact CZ3-CB 4.01Å; K179-R217 WeakPolarHBondContact O-CD 3.45Å; K179-R217 PolarHBondContact O-NH1 2.86Å
180	V	98.1	Very high	98.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140	179.2	-69.2	0	0	0	0	111.5	C155 V157 V178 A212 R217 L228	C155-V180 PolarHBondContact O-N 2.95Å; C155-V180 VanDerWaalsContact O-N 3.14Å; V157-V180 HydrophobicContact CG1-CG1 3.88Å; V157-V180 HydrophobicContact CG1-CG2 4.43Å; V178-V180 HydrophobicContact CG1-CG1 3.8Å; V180-A212 HydrophobicContact CB-CB 3.98Å; V180-A212 HydrophobicContact CG2-CB 3.63Å; V180-R217 HydrophobicContact CG1-CB 4.42Å; V180-L228 HydrophobicContact CG2-CD1 3.48Å; V180-L228 VanDerWaalsContact CG2-CD1 3.48Å
181	P	98	Very high	98.3	Very high	57 Å²	57	41.6 Å²	41.6	37%	0.37	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-76	134.4	168.6	31.4	-32.7	0	0	0	110.2	A212 G213 N214	P181-A212 CarbonylContact O-C 3.52Å; P181-A212 WeakPolarHBondContact O-CA 3.47Å; P181-G213 PolarHBondContact O-N 2.65Å; P181-N214 WeakPolarHBondContact CG-ND2 3.47Å
182	I	98.7	Very high	98.4	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145.5	169.8	-56.4	-56.5	0	0	0	110.3	F149 C155 L210 A212 L228	F149-I182 VanDerWaalsContact O-CG2 3.23Å; F149-I182 WeakPolarHBondContact O-CG2 3.38Å; C155-I182 HydrophobicContact CB-CD1 3.91Å; C155-I182 HydrophobicContact CB-CG1 4.19Å; C155-I182 WeakPolarHBondContact SG-CG1 3.44Å; I182-L210 HydrophobicContact CD1-CD2 4.09Å; I182-A212 HydrophobicContact CD1-CB 3.73Å; I182-L228 HydrophobicContact CD1-CD2 4Å
183	M	98.4	Very high	98.4	Very high	39 Å²	39	35.3 Å²	35.3	19%	0.192	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.4	175.4	-172.4	174.5	-62.2	0	0	110.3	I187 C188 K191 C211 P254	M183-I187 HydrophobicContact CG-CB 4.06Å; M183-I187 HydrophobicContact CG-CG2 4Å; M183-I187 HydrophobicContact SD-CB 4.38Å; M183-I187 HydrophobicContact SD-CG2 3.88Å; M183-C188 HydrophobicContact CG-CB 4.16Å; M183-C188 HydrophobicContact SD-CB 3.91Å; M183-K191 HydrophobicContact CE-CD 3.93Å; M183-K191 HydrophobicContact SD-CD 3.76Å; M183-C211 HydrophobicContact CB-CB 4.11Å; M183-C211 PolarHBondContact N-O 3.23Å; M183-P254 HydrophobicContact CE-CG 3.93Å; M183-P254 HydrophobicContact SD-CG 3.85Å
184	E	98.5	Very high	98.4	Very high	100 Å²	100	37.3 Å²	37.3	47%	0.467	19%	0.194	S	C	.	.			trans	-63.7	141.5	174.3	-66	-179.5	-127.1	0	0	111	P151 H186 I187 C188	P151-E184 HydrophobicContact CG-CG 3.62Å; E184-H186 VanDerWaalsContact C-N 3.29Å; E184-H186 PolarHBondContact O-N 2.6Å; E184-H186 IonicContact OE2-CE1 3.18Å; E184-H186 PolarHBondContact OE2-CE1 2.97Å; E184-H186 IonicContact OE2-ND1 3.76Å; E184-I187 HydrophobicContact CB-CG1 4.26Å; E184-I187 PolarHBondContact O-N 3.18Å; E184-I187 VanDerWaalsContact O-N 3.1Å; E184-C188 PolarHBondContact O-N 3.08Å
185	N	98.6	Very high	98.2	Very high	24 Å²	24	40.7 Å²	40.7	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-55	-43.4	-174.7	-77.7	32.5	0	0	0	112.4	I187 C188 D189 V205 R206 M209 R259	N185-I187 PolarHBondContact O-N 3.31Å; N185-C188 WeakPolarHBondContact O-CB 3.05Å; N185-C188 PolarHBondContact O-N 2.97Å; N185-D189 VanDerWaalsContact O-CB 3.26Å; N185-D189 WeakPolarHBondContact O-CB 2.92Å; N185-D189 PolarHBondContact O-N 3.44Å; N185-V205 HydrophobicContact CB-CG1 4.26Å; N185-R206 PolarHBondContact ND2-O 2.89Å; N185-M209 PolarHBondContact ND2-O 2.74Å; N185-M209 PolarHBondContact OD1-O 3.38Å; N185-R259 PolarHBondContact OD1-NH2 3.35Å
186	H	98.4	Very high	98.1	Very high	108 Å²	108	42.4 Å²	42.4	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-34.3	-178.3	74.6	-89.8	0	0	0	113.1	E184 A190	E184-H186 VanDerWaalsContact C-N 3.29Å; E184-H186 PolarHBondContact O-N 2.6Å; E184-H186 IonicContact OE2-CE1 3.18Å; E184-H186 PolarHBondContact OE2-CE1 2.97Å; E184-H186 IonicContact OE2-ND1 3.76Å; H186-A190 WeakPolarHBondContact O-CB 3.39Å; H186-A190 PolarHBondContact O-N 2.83Å
187	I	98.5	Very high	97.9	Very high	76 Å²	76	54 Å²	54	39%	0.39	29%	0.291	S	S	.	.	H	α-helix	trans	-71	-40	174.5	-58.4	-61.6	0	0	0	110.4	M183 E184 N185 K191	M183-I187 HydrophobicContact CG-CB 4.06Å; M183-I187 HydrophobicContact CG-CG2 4Å; M183-I187 HydrophobicContact SD-CB 4.38Å; M183-I187 HydrophobicContact SD-CG2 3.88Å; E184-I187 HydrophobicContact CB-CG1 4.26Å; E184-I187 PolarHBondContact O-N 3.18Å; E184-I187 VanDerWaalsContact O-N 3.1Å; N185-I187 PolarHBondContact O-N 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.48Å; I187-K191 PolarHBondContact O-N 2.73Å
188	C	98.6	Very high	97.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-45.8	176.9	-171.9	0	0	0	0	111.5	M183 E184 N185 K191 Y192 V205 C211	M183-C188 HydrophobicContact CG-CB 4.16Å; M183-C188 HydrophobicContact SD-CB 3.91Å; E184-C188 PolarHBondContact O-N 3.08Å; N185-C188 WeakPolarHBondContact O-CB 3.05Å; N185-C188 PolarHBondContact O-N 2.97Å; C188-K191 WeakPolarHBondContact O-CA 3.31Å; C188-K191 WeakPolarHBondContact O-CB 3.13Å; C188-K191 PolarHBondContact O-N 3.15Å; C188-K191 VanDerWaalsContact O-N 3.09Å; C188-Y192 WeakPolarHBondContact O-CD2 3.38Å; C188-Y192 PolarHBondContact O-N 3.1Å; C188-V205 HydrophobicContact CB-CG2 4.35Å; C188-C211 HydrophobicContact CB-CB 3.48Å; C188-C211 VanDerWaalsContact CB-CB 3.48Å; C188-C211 WeakPolarHBondContact CB-SG 2.94Å; C188-C211 WeakPolarHBondContact SG-CB 3.31Å; C188-C211 CovalentContact SG-SG 2.03Å; C188-C211 PolarHBondContact SG-SG 2.81Å
189	D	98.7	Very high	97.7	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.112	32%	0.321	C	S	.	.	H	α-helix	trans	-57.5	-50.8	175.8	-169	62.9	0	0	0	111	N185 K191 Y192 H193 I204 V205	N185-D189 VanDerWaalsContact O-CB 3.26Å; N185-D189 WeakPolarHBondContact O-CB 2.92Å; N185-D189 PolarHBondContact O-N 3.44Å; D189-K191 PolarHBondContact O-N 2.82Å; D189-Y192 PolarHBondContact O-N 2.9Å; D189-H193 PolarHBondContact O-N 3.38Å; D189-H193 VanDerWaalsContact O-N 3.14Å; D189-H193 PolarHBondContact O-ND1 3.09Å; D189-H193 IonicContact OD1-CE1 3.69Å; D189-H193 IonicContact OD2-CE1 3.75Å; D189-H193 PolarHBondContact OD2-CE1 2.89Å; D189-H193 IonicContact OD2-ND1 3.65Å; D189-I204 WeakPolarHBondContact OD1-CA 3.28Å; D189-I204 PolarHBondContact OD1-N 3.44Å; D189-V205 HydrophobicContact CB-CB 4.02Å; D189-V205 HydrophobicContact CB-CG2 4.21Å; D189-V205 PolarHBondContact OD1-N 2.54Å
190	A	98.5	Very high	97.4	Very high	56 Å²	56	59.9 Å²	59.9	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-57.7	-34.9	175.4	0	0	0	0	0	112.6	H186 H193	H186-A190 WeakPolarHBondContact O-CB 3.39Å; H186-A190 PolarHBondContact O-N 2.83Å; A190-H193 PolarHBondContact O-N 3.08Å
191	K	98.5	Very high	97.3	Very high	64 Å²	64	66.7 Å²	66.7	28%	0.278	37%	0.373	S	S	.	.	H	α-helix	trans	-68.6	-40	174.6	-80.1	-176.2	173	-62	0	112.9	M183 I187 C188 D189 H193 L194 N252 R253 P254	M183-K191 HydrophobicContact CE-CD 3.93Å; M183-K191 HydrophobicContact SD-CD 3.76Å; I187-K191 WeakPolarHBondContact O-CG 3.48Å; I187-K191 PolarHBondContact O-N 2.73Å; C188-K191 WeakPolarHBondContact O-CA 3.31Å; C188-K191 WeakPolarHBondContact O-CB 3.13Å; C188-K191 PolarHBondContact O-N 3.15Å; C188-K191 VanDerWaalsContact O-N 3.09Å; D189-K191 PolarHBondContact O-N 2.82Å; K191-H193 PolarHBondContact O-N 2.83Å; K191-L194 WeakPolarHBondContact O-CB 3.43Å; K191-L194 PolarHBondContact O-N 2.87Å; K191-L194 VanDerWaalsContact O-N 3.12Å; K191-N252 CarbonylContact C-O 3.45Å; K191-N252 HydrophobicContact CB-CB 4.24Å; K191-N252 PolarHBondContact NZ-OD1 3.35Å; K191-N252 VanDerWaalsContact O-O 3.14Å; K191-R253 PolarHBondContact O-NH1 3.14Å; K191-P254 HydrophobicContact CD-CG 4.45Å
192	Y	98.3	Very high	97.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-30.8	176.4	-94.8	-96.1	0	0	0	112.3	C188 D189 L194 I204 V205 W244 G245 E246 R253 P254 I256	C188-Y192 WeakPolarHBondContact O-CD2 3.38Å; C188-Y192 PolarHBondContact O-N 3.1Å; D189-Y192 PolarHBondContact O-N 2.9Å; Y192-L194 VanDerWaalsContact C-N 3.31Å; Y192-L194 PolarHBondContact O-N 2.96Å; Y192-I204 HydrophobicContact CD1-CG2 4.04Å; Y192-I204 HydrophobicContact CG-CG2 4.21Å; Y192-V205 HydrophobicContact CD2-CG2 4.14Å; Y192-W244 HydrophobicContact CE1-CH2 4.24Å; Y192-W244 AromaticContact CE1-CZ3 3.92Å; Y192-W244 HydrophobicContact CE1-CZ3 3.92Å; Y192-G245 WeakPolarHBondContact OH-CA 3.24Å; Y192-E246 HydrophobicContact CE1-CB 4.27Å; Y192-E246 HydrophobicContact CE1-CG 4.04Å; Y192-R253 HydrophobicContact CE1-CB 4.45Å; Y192-R253 PolarHBondContact O-NH1 3.03Å; Y192-R253 PolarHBondContact O-NH2 3.07Å; Y192-P254 VanDerWaalsContact CE2-O 3.31Å; Y192-P254 WeakPolarHBondContact CE2-O 3.34Å; Y192-P254 PolarHBondContact OH-O 2.97Å; Y192-I256 HydrophobicContact CD2-CD1 4.36Å; Y192-I256 HydrophobicContact CE1-CD1 4.05Å; Y192-I256 HydrophobicContact CE2-CD1 3.65Å; Y192-I256 HydrophobicContact CE2-CG1 4.04Å; Y192-I256 VanDerWaalsContact CZ-CD1 3.48Å
193	H	98.4	Very high	97.1	Very high	12 Å²	12	73 Å²	73	6%	0.056	40%	0.398	C	S	.	.	H	α-helix	trans	-70.7	-22.8	174	-70.8	85.4	0	0	0	113.8	D189 A190 K191 G195 A196 G199 D200 V202	D189-H193 PolarHBondContact O-N 3.38Å; D189-H193 VanDerWaalsContact O-N 3.14Å; D189-H193 PolarHBondContact O-ND1 3.09Å; D189-H193 IonicContact OD1-CE1 3.69Å; D189-H193 IonicContact OD2-CE1 3.75Å; D189-H193 PolarHBondContact OD2-CE1 2.89Å; D189-H193 IonicContact OD2-ND1 3.65Å; A190-H193 PolarHBondContact O-N 3.08Å; K191-H193 PolarHBondContact O-N 2.83Å; H193-G195 PolarHBondContact O-N 3.25Å; H193-A196 PolarHBondContact O-N 2.89Å; H193-G199 PolarHBondContact NE2-O 3.29Å; H193-D200 IonicContact CD2-OD1 3.69Å; H193-D200 IonicContact CG-OD1 2.73Å; H193-V202 PolarHBondContact CE1-O 2.79Å; H193-V202 PolarHBondContact NE2-O 2.8Å; H193-V202 VanDerWaalsContact NE2-O 3.08Å
194	L	97.5	Very high	97.1	Very high	92 Å²	92	72.4 Å²	72.4	48%	0.482	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	115.1	178	-63.2	175.4	0	0	0	110.5	K191 Y192 A196 N252 R253	K191-L194 WeakPolarHBondContact O-CB 3.43Å; K191-L194 PolarHBondContact O-N 2.87Å; K191-L194 VanDerWaalsContact O-N 3.12Å; Y192-L194 VanDerWaalsContact C-N 3.31Å; Y192-L194 PolarHBondContact O-N 2.96Å; L194-A196 VanDerWaalsContact C-N 3.31Å; L194-N252 HydrophobicContact CB-CB 4.41Å; L194-N252 HydrophobicContact CD1-CB 4.19Å; L194-R253 PolarHBondContact O-NH1 3.2Å; L194-R253 PolarHBondContact O-NH2 3.09Å
195	G	94.6	Very high	97.1	Very high	84 Å²	84	67.7 Å²	67.7	87%	0.866	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	11	-178.5	0	0	0	0	0	114.7	H193	H193-G195 PolarHBondContact O-N 3.25Å
196	A	95.9	Very high	97.1	Very high	36 Å²	36	70.7 Å²	70.7	30%	0.298	38%	0.383	S	S	.	.			trans	-97.2	157.8	174.2	0	0	0	0	0	111.5	H193 L194	H193-A196 PolarHBondContact O-N 2.89Å; L194-A196 VanDerWaalsContact C-N 3.31Å
197	Y	95.7	Very high	97.1	Very high	244 Å²	244	69.7 Å²	69.7	96%	0.957	38%	0.381	S	S	*	.	S	Bend	trans	-87.2	-11.6	171.7	-63.4	-71.7	0	0	0	113.1	G199	Y197-G199 PolarHBondContact O-N 3.1Å
198	T	95.3	Very high	97.2	Very high	59 Å²	59	66.6 Å²	66.6	36%	0.362	37%	0.365	S	S	.	.	S	Bend	trans	-61.4	129.9	175.9	-49.5	0	0	0	0	109.4	V202 I204	T198-V202 HydrophobicContact CG2-CB 3.75Å; T198-V202 HydrophobicContact CG2-CG1 3.91Å; T198-I204 HydrophobicContact CG2-CD1 4.18Å; T198-I204 HydrophobicContact CG2-CG1 4.18Å
199	G	95.1	Very high	97.2	Very high	34 Å²	34	66.7 Å²	66.7	35%	0.351	37%	0.366	S	S	.	.			trans	-66.1	143.7	176.6	0	0	0	0	0	111.4	H193 Y197 D201 V202	H193-G199 PolarHBondContact NE2-O 3.29Å; Y197-G199 PolarHBondContact O-N 3.1Å; G199-D201 PolarHBondContact O-N 3.44Å; G199-V202 WeakPolarHBondContact O-CB 3.32Å; G199-V202 PolarHBondContact O-N 2.03Å
200	D	93.3	Very high	97.2	Very high	138 Å²	138	65.8 Å²	65.8	74%	0.738	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.2	-176.4	-63.3	-36.1	0	0	0	114	H193	H193-D200 IonicContact CD2-OD1 3.69Å; H193-D200 IonicContact CG-OD1 2.73Å
201	D	95	Very high	97.2	Very high	145 Å²	145	63.1 Å²	63.1	78%	0.775	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-14	174.5	63.2	-51.6	0	0	0	113.5	G199 R203	G199-D201 PolarHBondContact O-N 3.44Å; D201-R203 PolarHBondContact O-N 3.23Å
202	V	96.9	Very high	97.2	Very high	80 Å²	80	60 Å²	60	49%	0.485	33%	0.326	S	S	.	.	S	Bend	trans	-95.9	95.9	-179.6	-177.4	0	0	0	0	110	H193 T198 G199 I204	H193-V202 PolarHBondContact CE1-O 2.79Å; H193-V202 PolarHBondContact NE2-O 2.8Å; H193-V202 VanDerWaalsContact NE2-O 3.08Å; T198-V202 HydrophobicContact CG2-CB 3.75Å; T198-V202 HydrophobicContact CG2-CG1 3.91Å; G199-V202 WeakPolarHBondContact O-CB 3.32Å; G199-V202 PolarHBondContact O-N 2.03Å; V202-I204 PolarHBondContact O-N 2.77Å
203	R	97.4	Very high	97.2	Very high	121 Å²	121	60.1 Å²	60.1	46%	0.457	33%	0.327	S	S	.	.			trans	-57.1	123.7	-179.5	-175.8	174.9	-87.3	-168.5	-17.2	112.7	D201 V205 D207	D201-R203 PolarHBondContact O-N 3.23Å; R203-V205 WeakPolarHBondContact CD-O 3.14Å; R203-V205 WeakPolarHBondContact CG-O 3.26Å; R203-D207 IonicContact CZ-OD1 3.63Å; R203-D207 IonicContact NH1-OD1 3.84Å; R203-D207 PolarHBondContact NH1-OD1 3.18Å; R203-D207 IonicContact NH1-OD2 3.45Å; R203-D207 PolarHBondContact NH1-OD2 2.81Å; R203-D207 IonicContact NH2-OD1 3.22Å
204	I	98.3	Very high	97	Very high	26 Å²	26	61.8 Å²	61.8	13%	0.133	34%	0.336	C	S	.	.	S	Bend	trans	-93.1	-48	176.4	-62.6	172.5	0	0	0	109.9	D189 Y192 T198 V202 W244	D189-I204 WeakPolarHBondContact OD1-CA 3.28Å; D189-I204 PolarHBondContact OD1-N 3.44Å; Y192-I204 HydrophobicContact CD1-CG2 4.04Å; Y192-I204 HydrophobicContact CG-CG2 4.21Å; T198-I204 HydrophobicContact CG2-CD1 4.18Å; T198-I204 HydrophobicContact CG2-CG1 4.18Å; V202-I204 PolarHBondContact O-N 2.77Å; I204-W244 HydrophobicContact CG2-CH2 3.79Å; I204-W244 HydrophobicContact CG2-CZ2 4.47Å
205	V	98.6	Very high	96.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	33%	0.334	C	S	.	.	S	Bend	trans	-92.4	106.5	178.4	-176.9	0	0	0	0	109.3	N185 C188 D189 Y192 R203 M209 I256	N185-V205 HydrophobicContact CB-CG1 4.26Å; C188-V205 HydrophobicContact CB-CG2 4.35Å; D189-V205 HydrophobicContact CB-CB 4.02Å; D189-V205 HydrophobicContact CB-CG2 4.21Å; D189-V205 PolarHBondContact OD1-N 2.54Å; Y192-V205 HydrophobicContact CD2-CG2 4.14Å; R203-V205 WeakPolarHBondContact CD-O 3.14Å; R203-V205 WeakPolarHBondContact CG-O 3.26Å; V205-M209 HydrophobicContact CG1-CB 4.24Å; V205-I256 HydrophobicContact CG2-CD1 3.98Å
206	R	98.5	Very high	96.8	Very high	87 Å²	87	65.2 Å²	65.2	33%	0.328	32%	0.324	S	S	.	.			trans	-80.2	168.2	-177.3	-65.1	-152.9	-170.5	72.2	8.1	113.6	Q117 I118 N185 D208 M209	Q117-R206 PolarHBondContact O-NH1 3.46Å; Q117-R206 PolarHBondContact O-NH2 2.97Å; I118-R206 PolarHBondContact O-NH1 2.81Å; N185-R206 PolarHBondContact ND2-O 2.89Å; R206-D208 VanDerWaalsContact C-N 3.29Å; R206-D208 WeakPolarHBondContact CB-OD1 3.4Å; R206-D208 PolarHBondContact O-N 2.8Å; R206-M209 HydrophobicContact CB-CE 4.15Å; R206-M209 HydrophobicContact CB-CG 4.21Å; R206-M209 HydrophobicContact CB-SD 4.09Å; R206-M209 HydrophobicContact CG-CE 4.28Å; R206-M209 PolarHBondContact N-SD 2.96Å; R206-M209 VanDerWaalsContact N-SD 3.45Å; R206-M209 VanDerWaalsContact O-CB 3.32Å; R206-M209 WeakPolarHBondContact O-CB 3.4Å; R206-M209 PolarHBondContact O-N 3.28Å; R206-M209 VanDerWaalsContact O-N 3.09Å
207	D	98.5	Very high	96.7	Very high	87 Å²	87	68.6 Å²	68.6	47%	0.465	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.5	-176.5	-63.9	-32.9	0	0	0	113	R203 M209 R259 Y262	R203-D207 IonicContact CZ-OD1 3.63Å; R203-D207 IonicContact NH1-OD1 3.84Å; R203-D207 PolarHBondContact NH1-OD1 3.18Å; R203-D207 IonicContact NH1-OD2 3.45Å; R203-D207 PolarHBondContact NH1-OD2 2.81Å; R203-D207 IonicContact NH2-OD1 3.22Å; D207-M209 PolarHBondContact O-N 2.71Å; D207-R259 PolarHBondContact O-NE 2.85Å; D207-Y262 HydrophobicContact CB-CE2 4.45Å
208	D	98.8	Very high	96.7	Very high	11 Å²	11	57 Å²	57	6%	0.059	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	4.6	172.3	75.8	-51	0	0	0	113	G119 A120 R206 R259 Y262 Y263	G119-D208 WeakPolarHBondContact CA-OD2 3.4Å; A120-D208 PolarHBondContact N-OD2 3.09Å; R206-D208 VanDerWaalsContact C-N 3.29Å; R206-D208 WeakPolarHBondContact CB-OD1 3.4Å; R206-D208 PolarHBondContact O-N 2.8Å; D208-R259 VanDerWaalsContact O-CB 3.3Å; D208-R259 WeakPolarHBondContact O-CB 3.46Å; D208-R259 PolarHBondContact O-N 2.03Å; D208-Y262 HydrophobicContact CB-CD1 3.65Å; D208-Y262 HydrophobicContact CB-CD2 3.92Å; D208-Y262 HydrophobicContact CB-CE1 3.85Å; D208-Y262 HydrophobicContact CB-CE2 4.11Å; D208-Y262 HydrophobicContact CB-CG 3.69Å; D208-Y263 HydrophobicContact CB-CE2 3.82Å; D208-Y263 VanDerWaalsContact CB-OH 3.31Å; D208-Y263 WeakPolarHBondContact CB-OH 3.27Å; D208-Y263 VanDerWaalsContact CG-OH 3.31Å; D208-Y263 PolarHBondContact OD2-OH 3.08Å
209	M	98.9	Very high	96.7	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	164.1	177.4	-54.7	176.4	-179.9	0	0	111.6	A116 N185 V205 R206 D207 W244 I256 Y257 R259	A116-M209 WeakPolarHBondContact O-CE 3.32Å; N185-M209 PolarHBondContact ND2-O 2.74Å; N185-M209 PolarHBondContact OD1-O 3.38Å; V205-M209 HydrophobicContact CG1-CB 4.24Å; R206-M209 HydrophobicContact CB-CE 4.15Å; R206-M209 HydrophobicContact CB-CG 4.21Å; R206-M209 HydrophobicContact CB-SD 4.09Å; R206-M209 HydrophobicContact CG-CE 4.28Å; R206-M209 PolarHBondContact N-SD 2.96Å; R206-M209 VanDerWaalsContact N-SD 3.45Å; R206-M209 VanDerWaalsContact O-CB 3.32Å; R206-M209 WeakPolarHBondContact O-CB 3.4Å; R206-M209 PolarHBondContact O-N 3.28Å; R206-M209 VanDerWaalsContact O-N 3.09Å; D207-M209 PolarHBondContact O-N 2.71Å; M209-W244 HydrophobicContact CE-CZ2 4.5Å; M209-W244 HydrophobicContact SD-CZ2 4.21Å; M209-I256 HydrophobicContact CB-CG2 3.77Å; M209-I256 HydrophobicContact CG-CG2 4.04Å; M209-I256 HydrophobicContact SD-CG2 3.78Å; M209-Y257 CarbonylContact C-O 3.52Å; M209-Y257 VanDerWaalsContact CA-O 3.26Å; M209-Y257 WeakPolarHBondContact CA-O 3.47Å; M209-R259 PolarHBondContact O-NE 3.13Å; M209-R259 VanDerWaalsContact O-NE 3.11Å; M209-R259 PolarHBondContact O-NH2 3.18Å
210	L	98.8	Very high	96.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.7	178.6	178.2	155.6	0	0	0	109	F149 I182 L228 A239 Y257 R259	F149-L210 HydrophobicContact CB-CD1 4.27Å; F149-L210 HydrophobicContact CD2-CD1 4.35Å; I182-L210 HydrophobicContact CD1-CD2 4.09Å; L210-L228 HydrophobicContact CD2-CD2 3.39Å; L210-A239 HydrophobicContact CD1-CB 4.25Å; L210-Y257 HydrophobicContact CD2-CD2 4.37Å; L210-Y257 PolarHBondContact N-O 3.27Å; L210-Y257 PolarHBondContact O-N 2.8Å; L210-R259 HydrophobicContact CB-CB 4.36Å
211	C	98.8	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.2	-179.9	-71.3	0	0	0	0	113.5	M183 C188 P254 G255	M183-C211 HydrophobicContact CB-CB 4.11Å; M183-C211 PolarHBondContact N-O 3.23Å; C188-C211 HydrophobicContact CB-CB 3.48Å; C188-C211 VanDerWaalsContact CB-CB 3.48Å; C188-C211 WeakPolarHBondContact CB-SG 2.94Å; C188-C211 WeakPolarHBondContact SG-CB 3.31Å; C188-C211 CovalentContact SG-SG 2.03Å; C188-C211 PolarHBondContact SG-SG 2.81Å; C211-P254 HydrophobicContact CB-CB 4.46Å; C211-G255 WeakPolarHBondContact CA-O 3.39Å
212	A	98.6	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.1	170.1	0	0	0	0	0	111.5	V180 P181 I182 L228 G255 Y257	V180-A212 HydrophobicContact CB-CB 3.98Å; V180-A212 HydrophobicContact CG2-CB 3.63Å; P181-A212 CarbonylContact O-C 3.52Å; P181-A212 WeakPolarHBondContact O-CA 3.47Å; I182-A212 HydrophobicContact CD1-CB 3.73Å; A212-L228 HydrophobicContact CB-CD2 4.2Å; A212-G255 PolarHBondContact N-O 3.25Å; A212-G255 WeakPolarHBondContact O-CA 3.19Å; A212-G255 PolarHBondContact O-N 2.68Å; A212-Y257 HydrophobicContact CB-CD2 4.26Å; A212-Y257 HydrophobicContact CB-CE2 3.73Å
213	G	97.6	Very high	97	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	19%	0.189	C	C	.	.			trans	112.4	176.5	173.5	0	0	0	0	0	114.6	P181 R217	P181-G213 PolarHBondContact O-N 2.65Å; G213-R217 CarbonylContact C-O 3.5Å; G213-R217 WeakPolarHBondContact CA-O 3.26Å
214	N	95.4	Very high	97	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-159.9	-176.3	176.1	60.8	61.4	0	0	0	110	P181 R216 R217	P181-N214 WeakPolarHBondContact CG-ND2 3.47Å; N214-R216 PolarHBondContact O-N 3.19Å; N214-R216 WeakPolarHBondContact OD1-CA 3.35Å; N214-R216 PolarHBondContact OD1-N 2.98Å; N214-R217 PolarHBondContact N-O 3Å; N214-R217 CarbonylContact O-C 3.44Å; N214-R217 PolarHBondContact O-N 2.86Å; N214-R217 PolarHBondContact OD1-N 3Å
215	T	93.9	Very high	97	Very high	72 Å²	72	35.1 Å²	35.1	44%	0.442	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.4	-176.8	57	0	0	0	0	116.5	A249 P251	T215-A249 VanDerWaalsContact CA-O 3.25Å; T215-A249 WeakPolarHBondContact CA-O 3.44Å; T215-P251 HydrophobicContact CG2-CB 4.36Å; T215-P251 HydrophobicContact CG2-CG 4.24Å
216	R	92.9	Very high	97	Very high	176 Å²	176	35 Å²	35	66%	0.664	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-9.8	176.1	-61.6	-176.8	-67.6	-91.5	-0.6	113	V32 G33 N214	V32-R216 CarbonylContact C-O 3.55Å; G33-R216 VanDerWaalsContact CA-O 3.26Å; G33-R216 WeakPolarHBondContact CA-O 3.33Å; N214-R216 PolarHBondContact O-N 3.19Å; N214-R216 WeakPolarHBondContact OD1-CA 3.35Å; N214-R216 PolarHBondContact OD1-N 2.98Å
217	R	95.3	Very high	97.1	Very high	107 Å²	107	30.9 Å²	30.9	40%	0.404	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-147.3	104.8	-168	-63.3	-167.5	-174.6	166.2	0.5	109.8	V32 V178 K179 V180 G213 N214	V32-R217 WeakPolarHBondContact O-CA 3.46Å; V178-R217 HydrophobicContact CG2-CB 3.82Å; V178-R217 HydrophobicContact CG2-CG 3.7Å; K179-R217 WeakPolarHBondContact O-CD 3.45Å; K179-R217 PolarHBondContact O-NH1 2.86Å; V180-R217 HydrophobicContact CG1-CB 4.42Å; G213-R217 CarbonylContact C-O 3.5Å; G213-R217 WeakPolarHBondContact CA-O 3.26Å; N214-R217 PolarHBondContact N-O 3Å; N214-R217 CarbonylContact O-C 3.44Å; N214-R217 PolarHBondContact O-N 2.86Å; N214-R217 PolarHBondContact OD1-N 3Å
218	D	95.6	Very high	97.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.011	13%	0.128	C	C	.	.			trans	-156.8	162.3	-176.9	-152.9	-1.3	0	0	0	112	I31 V32 A249 G255	I31-D218 CarbonylContact C-O 3.6Å; I31-D218 WeakPolarHBondContact CG2-O 3.16Å; V32-D218 HydrophobicContact CB-CB 4.37Å; V32-D218 PolarHBondContact N-O 2.99Å; V32-D218 PolarHBondContact O-N 2.04Å; D218-A249 HydrophobicContact CB-CB 3.85Å; D218-A249 WeakPolarHBondContact OD2-CA 3.37Å; D218-A249 PolarHBondContact OD2-N 2.92Å; D218-G255 WeakPolarHBondContact OD1-CA 3.43Å
219	S	95	Very high	97.1	Very high	10 Å²	10	26.2 Å²	26.2	7%	0.07	13%	0.126	C	C	.	.			trans	-81.5	162.3	161.2	41.9	0	0	0	0	110.9	Y257	S219-Y257 PolarHBondContact OG-OH 3.27Å
220	C	96.3	Very high	97.1	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.061	13%	0.125	C	C	.	.			trans	-143.1	-175.7	-179	-155.6	0	0	0	0	112.7	V32 D162 G222 D223 C248	V32-C220 HydrophobicContact CG2-CB 4.48Å; D162-C220 HydrophobicContact CB-CB 4.14Å; D162-C220 WeakPolarHBondContact O-CB 3.26Å; C220-G222 PolarHBondContact O-N 2.82Å; C220-D223 PolarHBondContact N-OD2 2.88Å; C220-D223 VanDerWaalsContact O-CB 3.3Å; C220-D223 WeakPolarHBondContact O-CB 3.44Å; C220-D223 PolarHBondContact O-N 2.79Å; C220-C248 WeakPolarHBondContact CA-SG 3.03Å; C220-C248 HydrophobicContact CB-CB 3.82Å; C220-C248 WeakPolarHBondContact CB-SG 3.46Å; C220-C248 WeakPolarHBondContact SG-CB 3.49Å; C220-C248 CovalentContact SG-SG 2.03Å; C220-C248 PolarHBondContact SG-SG 3.44Å
221	Q	94.9	Very high	97	Very high	90 Å²	90	30.8 Å²	30.8	42%	0.421	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	133.2	179.6	-75.6	71.9	17.7	0	0	110.8	G161 D162 D223 C248	G161-Q221 CarbonylContact C-O 3.56Å; G161-Q221 WeakPolarHBondContact CA-O 3.46Å; D162-Q221 PolarHBondContact N-O 2.83Å; Q221-D223 VanDerWaalsContact C-N 3.35Å; Q221-C248 PolarHBondContact OE1-SG 2.97Å
222	G	95.8	Very high	96.9	Very high	15 Å²	15	31.8 Å²	31.8	16%	0.155	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-20.6	-173.5	0	0	0	0	0	114.4	H57 C220 S224	H57-G222 PolarHBondContact NE2-O 3.01Å; C220-G222 PolarHBondContact O-N 2.82Å; G222-S224 VanDerWaalsContact C-N 3.29Å
223	D	98.4	Very high	96.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.194	C	C	.	.			trans	-79.1	-15.5	171.7	-61	-45.2	0	0	0	112.8	I31 G159 W160 G161 C220 Q221 G225 G226 V242	I31-D223 HydrophobicContact CD1-CB 4.28Å; I31-D223 WeakPolarHBondContact CD1-OD1 3.37Å; I31-D223 WeakPolarHBondContact CD1-OD2 3.48Å; G159-D223 VanDerWaalsContact CA-OD1 3.25Å; G159-D223 WeakPolarHBondContact CA-OD1 3.42Å; W160-D223 PolarHBondContact N-OD1 3.22Å; G161-D223 VanDerWaalsContact CA-OD1 3.31Å; G161-D223 WeakPolarHBondContact CA-OD1 3.48Å; G161-D223 PolarHBondContact N-OD1 3.09Å; C220-D223 PolarHBondContact N-OD2 2.88Å; C220-D223 VanDerWaalsContact O-CB 3.3Å; C220-D223 WeakPolarHBondContact O-CB 3.44Å; C220-D223 PolarHBondContact O-N 2.79Å; Q221-D223 VanDerWaalsContact C-N 3.35Å; D223-G225 PolarHBondContact O-N 3.39Å; D223-G226 VanDerWaalsContact O-CA 3.31Å; D223-G226 WeakPolarHBondContact O-CA 3.34Å; D223-G226 PolarHBondContact O-N 2.96Å; D223-V242 HydrophobicContact CB-CG1 4.18Å; D223-V242 HydrophobicContact CB-CG2 4.4Å; D223-V242 WeakPolarHBondContact O-CB 2.97Å
224	S	98.6	Very high	96.5	Very high	17 Å²	17	42.2 Å²	42.2	12%	0.119	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.1	134.1	176	-71	0	0	0	0	113.3	C59 G60 H74 G222 G226	C59-S224 CarbonylContact C-O 3.59Å; C59-S224 WeakPolarHBondContact CB-O 3.35Å; G60-S224 PolarHBondContact N-O 2.95Å; H74-S224 VanDerWaalsContact CE1-CB 3.45Å; H74-S224 WeakPolarHBondContact CE1-CB 3.07Å; H74-S224 PolarHBondContact CE1-OG 2.69Å; H74-S224 VanDerWaalsContact CE1-OG 3.28Å; H74-S224 WeakPolarHBondContact NE2-CB 3.1Å; H74-S224 PolarHBondContact NE2-OG 3.02Å; G222-S224 VanDerWaalsContact C-N 3.29Å; S224-G226 PolarHBondContact O-N 3.34Å
225	G	98.8	Very high	96.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-16.2	-174	0	0	0	0	0	114.9	G60 G61 T71 A72 D223 V242	G60-G225 CarbonylContact O-C 3.45Å; G61-G225 VanDerWaalsContact CA-O 3.25Å; G61-G225 WeakPolarHBondContact CA-O 2.99Å; T71-G225 WeakPolarHBondContact OG1-CA 3.4Å; A72-G225 VanDerWaalsContact N-CA 3.28Å; D223-G225 PolarHBondContact O-N 3.39Å; G225-V242 PolarHBondContact N-O 3.45Å
226	G	98.8	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.			trans	-63	159	173	0	0	0	0	0	112.8	D223 S224 V242	D223-G226 VanDerWaalsContact O-CA 3.31Å; D223-G226 WeakPolarHBondContact O-CA 3.34Å; D223-G226 PolarHBondContact O-N 2.96Å; S224-G226 PolarHBondContact O-N 3.34Å; G226-V242 WeakPolarHBondContact O-CG2 3.49Å; G226-V242 PolarHBondContact O-N 2.78Å
227	P	98.9	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139	-174.1	34.8	-34.7	0	0	0	112.6	Q45 V229 Q238	Q45-P227 VanDerWaalsContact OE1-CD 3.31Å; P227-V229 HydrophobicContact CB-CG1 4.06Å; P227-Q238 HydrophobicContact CB-CG 4.03Å
228	L	98.9	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.3	156.4	175	67.3	0	0	0	108.2	C155 V157 V180 I182 L210 A212 Q238 A239 G240 Y257	C155-L228 HydrophobicContact CB-CD1 3.99Å; V157-L228 HydrophobicContact CB-CD1 4.26Å; V180-L228 HydrophobicContact CG2-CD1 3.48Å; V180-L228 VanDerWaalsContact CG2-CD1 3.48Å; I182-L228 HydrophobicContact CD1-CD2 4Å; L210-L228 HydrophobicContact CD2-CD2 3.39Å; A212-L228 HydrophobicContact CB-CD2 4.2Å; L228-Q238 CarbonylContact O-C 3.47Å; L228-A239 HydrophobicContact CD2-CB 4.47Å; L228-A239 HydrophobicContact CG-CB 4.46Å; L228-A239 PolarHBondContact O-N 3.24Å; L228-G240 PolarHBondContact N-O 2.72Å; L228-G240 PolarHBondContact O-N 3.23Å; L228-Y257 HydrophobicContact CB-CD1 3.68Å; L228-Y257 HydrophobicContact CB-CE1 3.81Å; L228-Y257 HydrophobicContact CB-CG 4.42Å; L228-Y257 HydrophobicContact CD1-CE1 4.48Å; L228-Y257 HydrophobicContact CD2-CD1 4Å; L228-Y257 HydrophobicContact CD2-CD2 4.11Å; L228-Y257 HydrophobicContact CD2-CE1 4.24Å; L228-Y257 HydrophobicContact CD2-CE2 4.38Å; L228-Y257 HydrophobicContact CD2-CG 3.95Å; L228-Y257 HydrophobicContact CG-CD1 4.4Å; L228-Y257 HydrophobicContact CG-CE1 4.41Å
229	V	98.9	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.1	-177.9	-65.1	0	0	0	0	112	W42 W44 V140 C155 W156 P227 W236 L237 Q238	W42-V229 HydrophobicContact CE3-CG2 4Å; W42-V229 HydrophobicContact CH2-CG2 4.4Å; W42-V229 HydrophobicContact CZ3-CG2 3.58Å; W44-V229 HydrophobicContact CZ2-CB 4.42Å; W44-V229 HydrophobicContact CZ2-CG1 3.99Å; W44-V229 HydrophobicContact CZ2-CG2 4.2Å; V140-V229 HydrophobicContact CG2-CG1 3.95Å; C155-V229 CarbonylContact C-O 3.55Å; C155-V229 VanDerWaalsContact CA-O 3.22Å; C155-V229 WeakPolarHBondContact CA-O 3.3Å; W156-V229 HydrophobicContact CB-CG2 4.32Å; W156-V229 PolarHBondContact N-O 3.2Å; W156-V229 PolarHBondContact O-N 3.08Å; P227-V229 HydrophobicContact CB-CG1 4.06Å; V229-W236 HydrophobicContact CB-CE3 4.08Å; V229-W236 HydrophobicContact CG2-CE3 3.88Å; V229-W236 HydrophobicContact CG2-CZ3 4.22Å; V229-L237 CarbonylContact C-O 3.57Å; V229-L237 VanDerWaalsContact CA-O 3.28Å; V229-L237 WeakPolarHBondContact CA-O 3.32Å; V229-Q238 HydrophobicContact CG1-CB 4.34Å
230	C	98.8	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.5	177.9	-59	0	0	0	0	110	F149 C155 L237	F149-C230 HydrophobicContact CD1-CB 3.75Å; F149-C230 HydrophobicContact CE1-CB 3.87Å; C155-C230 HydrophobicContact CB-CB 4.12Å; C155-C230 WeakPolarHBondContact CB-SG 3.06Å; C155-C230 WeakPolarHBondContact SG-CB 3.46Å; C155-C230 CovalentContact SG-SG 2.04Å; C155-C230 PolarHBondContact SG-SG 3.03Å; C230-L237 PolarHBondContact N-O 2.89Å; C230-L237 PolarHBondContact O-N 3.34Å
231	K	97.1	Very high	97.7	Very high	100 Å²	100	28.3 Å²	28.3	44%	0.435	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.9	177.2	-157.5	174.8	-173.7	-175.1	0	110.3	P154 G234 T235 W236	P154-K231 HydrophobicContact CG-CB 4.2Å; P154-K231 PolarHBondContact O-N 2.89Å; K231-G234 VanDerWaalsContact CE-O 3.24Å; K231-G234 WeakPolarHBondContact CE-O 3.13Å; K231-T235 CarbonylContact C-O 3.49Å; K231-T235 WeakPolarHBondContact CA-O 3.3Å; K231-W236 HydrophobicContact CB-CD2 4.28Å; K231-W236 HydrophobicContact CB-CE3 3.91Å; K231-W236 HydrophobicContact CB-CH2 3.97Å; K231-W236 HydrophobicContact CB-CZ2 4.32Å; K231-W236 HydrophobicContact CB-CZ3 3.75Å; K231-W236 HydrophobicContact CD-CH2 4.34Å; K231-W236 HydrophobicContact CD-CZ2 3.97Å; K231-W236 HydrophobicContact CG-CD2 4.32Å; K231-W236 HydrophobicContact CG-CE3 4.45Å; K231-W236 HydrophobicContact CG-CZ2 4.37Å
232	V	96.5	Very high	97.9	Very high	20 Å²	20	24.3 Å²	24.3	12%	0.121	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.5	179.7	-176.6	0	0	0	0	108.7	F149 M153 G234 T235 L237	F149-V232 HydrophobicContact CE1-CG2 4.3Å; M153-V232 HydrophobicContact CE-CG2 4.07Å; M153-V232 HydrophobicContact SD-CG2 4.22Å; V232-G234 PolarHBondContact O-N 3.45Å; V232-G234 VanDerWaalsContact O-N 3.08Å; V232-T235 PolarHBondContact N-O 3.05Å; V232-T235 PolarHBondContact O-N 2.72Å; V232-L237 HydrophobicContact CB-CD1 3.82Å; V232-L237 HydrophobicContact CB-CG 4.3Å; V232-L237 HydrophobicContact CG1-CD1 4.32Å; V232-L237 HydrophobicContact CG2-CD1 3.93Å; V232-L237 HydrophobicContact CG2-CG 4.41Å
233	N	94.3	Very high	98	Very high	167 Å²	167	23.8 Å²	23.8	89%	0.893	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	38.2	-179.6	-63	-17.6	0	0	0	114.4	T235	N233-T235 VanDerWaalsContact C-N 3.33Å; N233-T235 PolarHBondContact O-N 3.07Å
234	G	93.6	Very high	98	Very high	54 Å²	54	25.4 Å²	25.4	56%	0.557	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	-16.4	179.9	0	0	0	0	0	115.1	K231 V232	K231-G234 VanDerWaalsContact CE-O 3.24Å; K231-G234 WeakPolarHBondContact CE-O 3.13Å; V232-G234 PolarHBondContact O-N 3.45Å; V232-G234 VanDerWaalsContact O-N 3.08Å
235	T	96.3	Very high	97.9	Very high	68 Å²	68	25.9 Å²	25.9	42%	0.417	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.8	-176.4	-55.4	0	0	0	0	111.4	T141 K231 V232 N233 L237	T141-T235 HydrophobicContact CG2-CG2 4.48Å; K231-T235 CarbonylContact C-O 3.49Å; K231-T235 WeakPolarHBondContact CA-O 3.3Å; V232-T235 PolarHBondContact N-O 3.05Å; V232-T235 PolarHBondContact O-N 2.72Å; N233-T235 VanDerWaalsContact C-N 3.33Å; N233-T235 PolarHBondContact O-N 3.07Å; T235-L237 HydrophobicContact CG2-CD2 4.01Å
236	W	98.5	Very high	97.7	Very high	48 Å²	48	30.3 Å²	30.3	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.6	172.2	-68.6	105	0	0	0	110	W42 W44 W156 V229 K231	W42-W236 AromaticContact CH2-CH2 3.98Å; W42-W236 HydrophobicContact CH2-CH2 3.98Å; W42-W236 HydrophobicContact CH2-CZ2 4.12Å; W42-W236 HydrophobicContact CH2-CZ3 4.34Å; W42-W236 HydrophobicContact CZ3-CD2 4.26Å; W42-W236 HydrophobicContact CZ3-CE3 4.27Å; W42-W236 HydrophobicContact CZ3-CH2 4.18Å; W42-W236 HydrophobicContact CZ3-CZ2 4.16Å; W42-W236 HydrophobicContact CZ3-CZ3 4.24Å; W44-W236 HydrophobicContact CH2-CB 3.51Å; W44-W236 AromaticContact CH2-CD1 3.82Å; W44-W236 AromaticContact CH2-CG 3.7Å; W44-W236 HydrophobicContact CH2-CG 3.7Å; W44-W236 HydrophobicContact CZ2-CB 4Å; W44-W236 HydrophobicContact CZ2-CG 4.25Å; W44-W236 HydrophobicContact CZ3-CB 4.38Å; W156-W236 AromaticContact CD1-CH2 3.59Å; W156-W236 AromaticContact CD1-CZ3 3.8Å; W156-W236 AromaticContact NE1-CH2 3.98Å; V229-W236 HydrophobicContact CB-CE3 4.08Å; V229-W236 HydrophobicContact CG2-CE3 3.88Å; V229-W236 HydrophobicContact CG2-CZ3 4.22Å; K231-W236 HydrophobicContact CB-CD2 4.28Å; K231-W236 HydrophobicContact CB-CE3 3.91Å; K231-W236 HydrophobicContact CB-CH2 3.97Å; K231-W236 HydrophobicContact CB-CZ2 4.32Å; K231-W236 HydrophobicContact CB-CZ3 3.75Å; K231-W236 HydrophobicContact CD-CH2 4.34Å; K231-W236 HydrophobicContact CD-CZ2 3.97Å; K231-W236 HydrophobicContact CG-CD2 4.32Å; K231-W236 HydrophobicContact CG-CE3 4.45Å; K231-W236 HydrophobicContact CG-CZ2 4.37Å
237	L	98.8	Very high	97.4	Very high	14 Å²	14	31.6 Å²	31.6	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.9	174.6	-55.2	-176.6	0	0	0	109.4	T141 P143 F149 V229 C230 V232 T235 A239	T141-L237 HydrophobicContact CG2-CD2 3.6Å; T141-L237 WeakPolarHBondContact O-CA 3.09Å; P143-L237 HydrophobicContact CB-CB 4.37Å; P143-L237 HydrophobicContact CB-CD1 4.23Å; F149-L237 HydrophobicContact CE1-CB 4.23Å; F149-L237 HydrophobicContact CZ-CB 4.26Å; V229-L237 CarbonylContact C-O 3.57Å; V229-L237 VanDerWaalsContact CA-O 3.28Å; V229-L237 WeakPolarHBondContact CA-O 3.32Å; C230-L237 PolarHBondContact N-O 2.89Å; C230-L237 PolarHBondContact O-N 3.34Å; V232-L237 HydrophobicContact CB-CD1 3.82Å; V232-L237 HydrophobicContact CB-CG 4.3Å; V232-L237 HydrophobicContact CG1-CD1 4.32Å; V232-L237 HydrophobicContact CG2-CD1 3.93Å; V232-L237 HydrophobicContact CG2-CG 4.41Å; T235-L237 HydrophobicContact CG2-CD2 4.01Å; L237-A239 PolarHBondContact O-N 2.79Å
238	Q	98.9	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	105.3	173.5	-170.7	173.9	-13.8	0	0	110.2	S62 V140 T141 P143 P227 L228 V229 G240 V260	S62-Q238 PolarHBondContact OG-NE2 2.89Å; S62-Q238 PolarHBondContact OG-OE1 2.77Å; V140-Q238 HydrophobicContact CG1-CB 4.26Å; V140-Q238 HydrophobicContact CG2-CB 3.98Å; T141-Q238 PolarHBondContact O-N 3.13Å; P143-Q238 WeakPolarHBondContact CD-O 3.42Å; P227-Q238 HydrophobicContact CB-CG 4.03Å; L228-Q238 CarbonylContact O-C 3.47Å; V229-Q238 HydrophobicContact CG1-CB 4.34Å; Q238-G240 WeakPolarHBondContact CG-O 3.33Å; Q238-G240 PolarHBondContact NE2-O 2.69Å; Q238-V260 HydrophobicContact CG-CG2 4.2Å; Q238-V260 WeakPolarHBondContact O-CB 3.31Å
239	A	98.9	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-37.2	179.4	0	0	0	0	0	112.2	F149 L210 L228 L237 V260	F149-A239 HydrophobicContact CB-CB 4.43Å; F149-A239 HydrophobicContact CD1-CB 3.63Å; F149-A239 HydrophobicContact CD2-CB 3.63Å; F149-A239 HydrophobicContact CE1-CB 3.58Å; F149-A239 VanDerWaalsContact CE2-CA 3.48Å; F149-A239 HydrophobicContact CE2-CB 3.59Å; F149-A239 HydrophobicContact CG-CB 3.62Å; F149-A239 VanDerWaalsContact CZ-CA 3.46Å; F149-A239 HydrophobicContact CZ-CB 3.53Å; L210-A239 HydrophobicContact CD1-CB 4.25Å; L228-A239 HydrophobicContact CD2-CB 4.47Å; L228-A239 HydrophobicContact CG-CB 4.46Å; L228-A239 PolarHBondContact O-N 3.24Å; L237-A239 PolarHBondContact O-N 2.79Å; A239-V260 PolarHBondContact O-N 3.11Å; A239-V260 VanDerWaalsContact O-N 3.14Å
240	G	98.9	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	166.7	-173.1	0	0	0	0	0	114.7	L228 Q238 T258	L228-G240 PolarHBondContact N-O 2.72Å; L228-G240 PolarHBondContact O-N 3.23Å; Q238-G240 WeakPolarHBondContact CG-O 3.33Å; Q238-G240 PolarHBondContact NE2-O 2.69Å; G240-T258 CarbonylContact C-O 3.53Å; G240-T258 WeakPolarHBondContact CA-O 3.49Å
241	V	98.9	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.4	169.5	-179.7	0	0	0	0	107.2	L70 A72 S243 Y257 T258 V260	L70-V241 HydrophobicContact CD2-CG2 3.97Å; L70-V241 HydrophobicContact CG-CG2 4.07Å; A72-V241 HydrophobicContact CB-CG1 4.05Å; V241-S243 PolarHBondContact O-N 2.85Å; V241-Y257 CarbonylContact O-C 3.5Å; V241-Y257 WeakPolarHBondContact O-CA 3.46Å; V241-Y257 WeakPolarHBondContact O-CB 3.42Å; V241-T258 PolarHBondContact N-O 3.19Å; V241-T258 VanDerWaalsContact N-O 3.08Å; V241-T258 PolarHBondContact O-N 3.45Å; V241-V260 HydrophobicContact CG2-CG2 4.13Å
242	V	98.9	Very high	96.6	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	122.9	178	179.2	0	0	0	0	108.8	V157 D223 G225 G226 Y257	V157-V242 HydrophobicContact CG2-CG2 3.56Å; D223-V242 HydrophobicContact CB-CG1 4.18Å; D223-V242 HydrophobicContact CB-CG2 4.4Å; D223-V242 WeakPolarHBondContact O-CB 2.97Å; G225-V242 PolarHBondContact N-O 3.45Å; G226-V242 WeakPolarHBondContact O-CG2 3.49Å; G226-V242 PolarHBondContact O-N 2.78Å; V242-Y257 HydrophobicContact CB-CD1 4.35Å; V242-Y257 HydrophobicContact CB-CE1 4.26Å; V242-Y257 HydrophobicContact CG2-CD1 4.01Å; V242-Y257 HydrophobicContact CG2-CE1 3.56Å
243	S	98.7	Very high	96.6	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-69.6	-172.2	-179.4	0	0	0	0	111.7	H74 D121 V241 I256	H74-S243 PolarHBondContact CE1-O 2.73Å; D121-S243 WeakPolarHBondContact CB-OG 3.35Å; D121-S243 WeakPolarHBondContact OD2-CA 3.2Å; D121-S243 WeakPolarHBondContact OD2-CB 3.26Å; D121-S243 PolarHBondContact OD2-OG 2.64Å; V241-S243 PolarHBondContact O-N 2.85Å; S243-I256 WeakPolarHBondContact CB-O 3.42Å; S243-I256 PolarHBondContact N-O 3.15Å
244	W	98.5	Very high	96.8	Very high	35 Å²	35	30.9 Å²	30.9	13%	0.133	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	173.4	-176.3	68.6	-80	0	0	0	113.8	A116 Q117 Y192 I204 M209 I256	A116-W244 HydrophobicContact CB-CB 3.88Å; A116-W244 HydrophobicContact CB-CG 3.99Å; A116-W244 PolarHBondContact O-NE1 3.3Å; Q117-W244 HydrophobicContact CB-CZ2 4.37Å; Q117-W244 HydrophobicContact CG-CD2 4.08Å; Q117-W244 HydrophobicContact CG-CE3 3.95Å; Q117-W244 HydrophobicContact CG-CH2 4.07Å; Q117-W244 HydrophobicContact CG-CZ2 4.19Å; Q117-W244 HydrophobicContact CG-CZ3 3.95Å; Y192-W244 HydrophobicContact CE1-CH2 4.24Å; Y192-W244 AromaticContact CE1-CZ3 3.92Å; Y192-W244 HydrophobicContact CE1-CZ3 3.92Å; I204-W244 HydrophobicContact CG2-CH2 3.79Å; I204-W244 HydrophobicContact CG2-CZ2 4.47Å; M209-W244 HydrophobicContact CE-CZ2 4.5Å; M209-W244 HydrophobicContact SD-CZ2 4.21Å; W244-I256 HydrophobicContact CD2-CB 4.3Å; W244-I256 HydrophobicContact CD2-CD1 3.94Å; W244-I256 VanDerWaalsContact CE2-CD1 3.49Å; W244-I256 HydrophobicContact CE3-CD1 4.11Å; W244-I256 HydrophobicContact CG-CB 4.34Å; W244-I256 HydrophobicContact CH2-CD1 3.46Å; W244-I256 VanDerWaalsContact CH2-CD1 3.46Å; W244-I256 HydrophobicContact CZ2-CD1 3.25Å; W244-I256 HydrophobicContact CZ2-CG2 4.49Å; W244-I256 HydrophobicContact CZ3-CD1 3.88Å; W244-I256 PolarHBondContact N-O 3.2Å; W244-I256 WeakPolarHBondContact O-CA 3.47Å; W244-I256 WeakPolarHBondContact O-CB 3.4Å; W244-I256 PolarHBondContact O-N 3.34Å; W244-I256 VanDerWaalsContact O-O 3.11Å
245	G	96.1	Very high	97.1	Very high	27 Å²	27	28.4 Å²	28.4	28%	0.278	16%	0.161	S	C	.	.			trans	-174.8	160.6	172.1	0	0	0	0	0	110.6	Y192 G247	Y192-G245 WeakPolarHBondContact OH-CA 3.24Å; G245-G247 PolarHBondContact O-N 3.08Å
246	E	94.2	Very high	97.2	Very high	92 Å²	92	25.2 Å²	25.2	43%	0.43	14%	0.141	S	C	.	.	S	Bend	trans	-81.6	95.1	169.9	-79.4	179.6	-143.4	0	0	109.9	Y192 Q250 R253	Y192-E246 HydrophobicContact CE1-CB 4.27Å; Y192-E246 HydrophobicContact CE1-CG 4.04Å; E246-Q250 WeakPolarHBondContact O-CB 3.33Å; E246-Q250 VanDerWaalsContact O-CG 3.27Å; E246-Q250 WeakPolarHBondContact O-CG 3.3Å; E246-R253 HydrophobicContact CB-CB 4.11Å; E246-R253 HydrophobicContact CB-CG 3.79Å; E246-R253 VanDerWaalsContact CD-NE 3.34Å; E246-R253 IonicContact OE1-NE 3.46Å; E246-R253 WeakPolarHBondContact OE2-CD 3.26Å; E246-R253 IonicContact OE2-CZ 2.89Å; E246-R253 IonicContact OE2-NE 3.48Å; E246-R253 PolarHBondContact OE2-NE 2.77Å; E246-R253 IonicContact OE2-NH2 2.74Å
247	G	92.6	Very high	97.2	Very high	27 Å²	27	22.9 Å²	22.9	28%	0.278	13%	0.132	S	C	.	.	S	Bend	trans	66.3	-165.6	-169.6	0	0	0	0	0	112	N165 G245	N165-G247 VanDerWaalsContact OD1-CA 3.3Å; N165-G247 WeakPolarHBondContact OD1-CA 3.24Å; G245-G247 PolarHBondContact O-N 3.08Å
248	C	92.6	Very high	97.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	13%	0.13	C	C	.	.	S	Bend	trans	-117.1	128.8	177.5	-52.8	0	0	0	0	110.3	V32 N165 C220 Q221 Q250	V32-C248 HydrophobicContact CG2-CB 3.83Å; N165-C248 PolarHBondContact ND2-O 3.31Å; N165-C248 PolarHBondContact OD1-N 3.33Å; C220-C248 WeakPolarHBondContact CA-SG 3.03Å; C220-C248 HydrophobicContact CB-CB 3.82Å; C220-C248 WeakPolarHBondContact CB-SG 3.46Å; C220-C248 WeakPolarHBondContact SG-CB 3.49Å; C220-C248 CovalentContact SG-SG 2.03Å; C220-C248 PolarHBondContact SG-SG 3.44Å; Q221-C248 PolarHBondContact OE1-SG 2.97Å; C248-Q250 PolarHBondContact O-N 3.28Å
249	A	94.2	Very high	97.2	Very high	12 Å²	12	24.1 Å²	24.1	10%	0.099	14%	0.136	C	C	.	.	S	Bend	trans	53	35.7	179.3	0	0	0	0	0	113.8	V32 T215 D218	V32-A249 HydrophobicContact CB-CB 3.97Å; V32-A249 HydrophobicContact CG1-CB 3.59Å; V32-A249 HydrophobicContact CG2-CB 4.19Å; T215-A249 VanDerWaalsContact CA-O 3.25Å; T215-A249 WeakPolarHBondContact CA-O 3.44Å; D218-A249 HydrophobicContact CB-CB 3.85Å; D218-A249 WeakPolarHBondContact OD2-CA 3.37Å; D218-A249 PolarHBondContact OD2-N 2.92Å
250	Q	95.3	Very high	97.2	Very high	80 Å²	80	24.1 Å²	24.1	37%	0.374	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-78.3	149.1	-179.9	-68.7	-67.9	-12.1	0	0	111.4	N165 E246 C248 N252 R253	N165-Q250 PolarHBondContact ND2-NE2 3.22Å; E246-Q250 WeakPolarHBondContact O-CB 3.33Å; E246-Q250 VanDerWaalsContact O-CG 3.27Å; E246-Q250 WeakPolarHBondContact O-CG 3.3Å; C248-Q250 PolarHBondContact O-N 3.28Å; Q250-N252 PolarHBondContact O-N 3.3Å; Q250-R253 HydrophobicContact CB-CB 3.97Å; Q250-R253 HydrophobicContact CB-CG 4.19Å; Q250-R253 PolarHBondContact O-N 3.21Å; Q250-R253 VanDerWaalsContact O-N 3.15Å
251	P	96.2	Very high	97.2	Very high	81 Å²	81	25.2 Å²	25.2	53%	0.526	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	128.3	173.8	-25.1	34.8	0	0	0	111.7	T215 R253	T215-P251 HydrophobicContact CG2-CB 4.36Å; T215-P251 HydrophobicContact CG2-CG 4.24Å; P251-R253 PolarHBondContact O-N 3.07Å
252	N	97.4	Very high	97.2	Very high	64 Å²	64	31.7 Å²	31.7	34%	0.342	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	18.9	-179.2	-53.8	-49.8	0	0	0	115.7	K191 L194 Q250	K191-N252 CarbonylContact C-O 3.45Å; K191-N252 HydrophobicContact CB-CB 4.24Å; K191-N252 PolarHBondContact NZ-OD1 3.35Å; K191-N252 VanDerWaalsContact O-O 3.14Å; L194-N252 HydrophobicContact CB-CB 4.41Å; L194-N252 HydrophobicContact CD1-CB 4.19Å; Q250-N252 PolarHBondContact O-N 3.3Å
253	R	98.1	Very high	97.2	Very high	29 Å²	29	31.9 Å²	31.9	11%	0.109	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-126.9	75.7	174.2	-56.7	-63.3	-176.1	-95.1	1	110.6	K191 Y192 L194 E246 Q250 P251	K191-R253 PolarHBondContact O-NH1 3.14Å; Y192-R253 HydrophobicContact CE1-CB 4.45Å; Y192-R253 PolarHBondContact O-NH1 3.03Å; Y192-R253 PolarHBondContact O-NH2 3.07Å; L194-R253 PolarHBondContact O-NH1 3.2Å; L194-R253 PolarHBondContact O-NH2 3.09Å; E246-R253 HydrophobicContact CB-CB 4.11Å; E246-R253 HydrophobicContact CB-CG 3.79Å; E246-R253 VanDerWaalsContact CD-NE 3.34Å; E246-R253 IonicContact OE1-NE 3.46Å; E246-R253 WeakPolarHBondContact OE2-CD 3.26Å; E246-R253 IonicContact OE2-CZ 2.89Å; E246-R253 IonicContact OE2-NE 3.48Å; E246-R253 PolarHBondContact OE2-NE 2.77Å; E246-R253 IonicContact OE2-NH2 2.74Å; Q250-R253 HydrophobicContact CB-CB 3.97Å; Q250-R253 HydrophobicContact CB-CG 4.19Å; Q250-R253 PolarHBondContact O-N 3.21Å; Q250-R253 VanDerWaalsContact O-N 3.15Å; P251-R253 PolarHBondContact O-N 3.07Å
254	P	98.2	Very high	97.2	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.039	17%	0.169	C	C	.	.			trans	-59.7	151.2	172.4	-19.4	31.6	0	0	0	111.4	M183 K191 Y192 C211	M183-P254 HydrophobicContact CE-CG 3.93Å; M183-P254 HydrophobicContact SD-CG 3.85Å; K191-P254 HydrophobicContact CD-CG 4.45Å; Y192-P254 VanDerWaalsContact CE2-O 3.31Å; Y192-P254 WeakPolarHBondContact CE2-O 3.34Å; Y192-P254 PolarHBondContact OH-O 2.97Å; C211-P254 HydrophobicContact CB-CB 4.46Å
255	G	98.4	Very high	97.2	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	139.2	171.1	0	0	0	0	0	111.8	C211 A212 D218 Y257	C211-G255 WeakPolarHBondContact CA-O 3.39Å; A212-G255 PolarHBondContact N-O 3.25Å; A212-G255 WeakPolarHBondContact O-CA 3.19Å; A212-G255 PolarHBondContact O-N 2.68Å; D218-G255 WeakPolarHBondContact OD1-CA 3.43Å; G255-Y257 WeakPolarHBondContact O-CE2 3.36Å
256	I	98.9	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	-179.8	-60.4	171.4	0	0	0	109.1	Y192 V205 M209 S243 W244	Y192-I256 HydrophobicContact CD2-CD1 4.36Å; Y192-I256 HydrophobicContact CE1-CD1 4.05Å; Y192-I256 HydrophobicContact CE2-CD1 3.65Å; Y192-I256 HydrophobicContact CE2-CG1 4.04Å; Y192-I256 VanDerWaalsContact CZ-CD1 3.48Å; V205-I256 HydrophobicContact CG2-CD1 3.98Å; M209-I256 HydrophobicContact CB-CG2 3.77Å; M209-I256 HydrophobicContact CG-CG2 4.04Å; M209-I256 HydrophobicContact SD-CG2 3.78Å; S243-I256 WeakPolarHBondContact CB-O 3.42Å; S243-I256 PolarHBondContact N-O 3.15Å; W244-I256 HydrophobicContact CD2-CB 4.3Å; W244-I256 HydrophobicContact CD2-CD1 3.94Å; W244-I256 VanDerWaalsContact CE2-CD1 3.49Å; W244-I256 HydrophobicContact CE3-CD1 4.11Å; W244-I256 HydrophobicContact CG-CB 4.34Å; W244-I256 HydrophobicContact CH2-CD1 3.46Å; W244-I256 VanDerWaalsContact CH2-CD1 3.46Å; W244-I256 HydrophobicContact CZ2-CD1 3.25Å; W244-I256 HydrophobicContact CZ2-CG2 4.49Å; W244-I256 HydrophobicContact CZ3-CD1 3.88Å; W244-I256 PolarHBondContact N-O 3.2Å; W244-I256 WeakPolarHBondContact O-CA 3.47Å; W244-I256 WeakPolarHBondContact O-CB 3.4Å; W244-I256 PolarHBondContact O-N 3.34Å; W244-I256 VanDerWaalsContact O-O 3.11Å
257	Y	98.9	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.2	-176.1	-59.6	-103.3	0	0	0	109.1	V157 M209 L210 A212 S219 L228 V241 V242 G255 R259	V157-Y257 HydrophobicContact CB-CE1 4.4Å; V157-Y257 HydrophobicContact CG2-CE1 3.94Å; M209-Y257 CarbonylContact C-O 3.52Å; M209-Y257 VanDerWaalsContact CA-O 3.26Å; M209-Y257 WeakPolarHBondContact CA-O 3.47Å; L210-Y257 HydrophobicContact CD2-CD2 4.37Å; L210-Y257 PolarHBondContact N-O 3.27Å; L210-Y257 PolarHBondContact O-N 2.8Å; A212-Y257 HydrophobicContact CB-CD2 4.26Å; A212-Y257 HydrophobicContact CB-CE2 3.73Å; S219-Y257 PolarHBondContact OG-OH 3.27Å; L228-Y257 HydrophobicContact CB-CD1 3.68Å; L228-Y257 HydrophobicContact CB-CE1 3.81Å; L228-Y257 HydrophobicContact CB-CG 4.42Å; L228-Y257 HydrophobicContact CD1-CE1 4.48Å; L228-Y257 HydrophobicContact CD2-CD1 4Å; L228-Y257 HydrophobicContact CD2-CD2 4.11Å; L228-Y257 HydrophobicContact CD2-CE1 4.24Å; L228-Y257 HydrophobicContact CD2-CE2 4.38Å; L228-Y257 HydrophobicContact CD2-CG 3.95Å; L228-Y257 HydrophobicContact CG-CD1 4.4Å; L228-Y257 HydrophobicContact CG-CE1 4.41Å; V241-Y257 CarbonylContact O-C 3.5Å; V241-Y257 WeakPolarHBondContact O-CA 3.46Å; V241-Y257 WeakPolarHBondContact O-CB 3.42Å; V242-Y257 HydrophobicContact CB-CD1 4.35Å; V242-Y257 HydrophobicContact CB-CE1 4.26Å; V242-Y257 HydrophobicContact CG2-CD1 4.01Å; V242-Y257 HydrophobicContact CG2-CE1 3.56Å; G255-Y257 WeakPolarHBondContact O-CE2 3.36Å; Y257-R259 PolarHBondContact O-N 3Å
258	T	98.9	Very high	97.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128	168.8	-52.1	0	0	0	0	109.1	D121 I122 G240 V241 V260 Y263	D121-T258 PolarHBondContact O-OG1 2.76Å; I122-T258 HydrophobicContact CB-CG2 4.15Å; I122-T258 HydrophobicContact CD1-CG2 4.48Å; G240-T258 CarbonylContact C-O 3.53Å; G240-T258 WeakPolarHBondContact CA-O 3.49Å; V241-T258 PolarHBondContact N-O 3.19Å; V241-T258 VanDerWaalsContact N-O 3.08Å; V241-T258 PolarHBondContact O-N 3.45Å; T258-V260 PolarHBondContact O-N 3.07Å; T258-Y263 HydrophobicContact CG2-CD2 3.67Å; T258-Y263 HydrophobicContact CG2-CE2 3.46Å; T258-Y263 VanDerWaalsContact CG2-CE2 3.46Å
259	R	98.9	Very high	98.1	Very high	38 Å²	38	41.4 Å²	41.4	14%	0.143	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	110.3	-179.1	-179.9	-179.9	-63.6	-80.7	-5	110.2	T148 N185 D207 D208 M209 L210 Y257 T261 Y262	T148-R259 PolarHBondContact O-NH1 2.89Å; N185-R259 PolarHBondContact OD1-NH2 3.35Å; D207-R259 PolarHBondContact O-NE 2.85Å; D208-R259 VanDerWaalsContact O-CB 3.3Å; D208-R259 WeakPolarHBondContact O-CB 3.46Å; D208-R259 PolarHBondContact O-N 2.03Å; M209-R259 PolarHBondContact O-NE 3.13Å; M209-R259 VanDerWaalsContact O-NE 3.11Å; M209-R259 PolarHBondContact O-NH2 3.18Å; L210-R259 HydrophobicContact CB-CB 4.36Å; Y257-R259 PolarHBondContact O-N 3Å; R259-T261 VanDerWaalsContact C-N 3.3Å; R259-T261 VanDerWaalsContact CG-OG1 3.3Å; R259-T261 WeakPolarHBondContact CG-OG1 3.44Å; R259-T261 PolarHBondContact O-N 3.18Å; R259-Y262 WeakPolarHBondContact O-CB 3.05Å; R259-Y262 PolarHBondContact O-N 2.97Å; R259-Y262 VanDerWaalsContact O-N 3.14Å
260	V	98.9	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.6	-38.6	-175.6	172	0	0	0	0	112.3	L70 L142 P143 Q238 A239 V241 T258 Y262 Y263 L264 I267	L70-V260 HydrophobicContact CD2-CG2 4.45Å; L142-V260 HydrophobicContact CD2-CG1 3.89Å; P143-V260 HydrophobicContact CG-CB 4.42Å; P143-V260 HydrophobicContact CG-CG1 4.07Å; Q238-V260 HydrophobicContact CG-CG2 4.2Å; Q238-V260 WeakPolarHBondContact O-CB 3.31Å; A239-V260 PolarHBondContact O-N 3.11Å; A239-V260 VanDerWaalsContact O-N 3.14Å; V241-V260 HydrophobicContact CG2-CG2 4.13Å; T258-V260 PolarHBondContact O-N 3.07Å; V260-Y262 PolarHBondContact O-N 3.49Å; V260-Y263 PolarHBondContact O-N 3.03Å; V260-L264 HydrophobicContact CG1-CD2 4.14Å; V260-L264 PolarHBondContact O-N 3.46Å; V260-I267 HydrophobicContact CG1-CD1 4.3Å
261	T	98.8	Very high	98.4	Very high	23 Å²	23	40.8 Å²	40.8	14%	0.141	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.5	-179.7	47.6	0	0	0	0	113.4	P143 P144 F149 R259 Y263 L264	P143-T261 HydrophobicContact CB-CG2 3.95Å; P143-T261 HydrophobicContact CG-CG2 3.55Å; P144-T261 WeakPolarHBondContact O-CG2 3.39Å; F149-T261 HydrophobicContact CE2-CG2 4.25Å; R259-T261 VanDerWaalsContact C-N 3.3Å; R259-T261 VanDerWaalsContact CG-OG1 3.3Å; R259-T261 WeakPolarHBondContact CG-OG1 3.44Å; R259-T261 PolarHBondContact O-N 3.18Å; T261-Y263 VanDerWaalsContact C-N 3.29Å; T261-Y263 PolarHBondContact O-N 2.99Å; T261-L264 HydrophobicContact CG2-CD1 4.29Å
262	Y	98.8	Very high	98.3	Very high	136 Å²	136	40.5 Å²	40.5	53%	0.533	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-68.2	-29.3	179.1	-159.3	-82.6	0	0	0	112.5	D207 D208 R259 V260	D207-Y262 HydrophobicContact CB-CE2 4.45Å; D208-Y262 HydrophobicContact CB-CD1 3.65Å; D208-Y262 HydrophobicContact CB-CD2 3.92Å; D208-Y262 HydrophobicContact CB-CE1 3.85Å; D208-Y262 HydrophobicContact CB-CE2 4.11Å; D208-Y262 HydrophobicContact CB-CG 3.69Å; R259-Y262 WeakPolarHBondContact O-CB 3.05Å; R259-Y262 PolarHBondContact O-N 2.97Å; R259-Y262 VanDerWaalsContact O-N 3.14Å; V260-Y262 PolarHBondContact O-N 3.49Å
263	Y	98.8	Very high	97.6	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.035	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-110.3	11	-172.3	-64.6	-74.3	0	0	0	113.8	H110 A120 I122 D208 T258 V260 T261 D265 W266 I267	H110-Y263 AromaticContact CD2-CD1 3.65Å; H110-Y263 AromaticContact CD2-CE1 3.86Å; H110-Y263 AromaticContact CE1-CE1 3.77Å; H110-Y263 AromaticContact NE2-CD1 3.54Å; H110-Y263 AromaticContact NE2-CE1 3.57Å; A120-Y263 WeakPolarHBondContact CA-OH 3.03Å; A120-Y263 HydrophobicContact CB-CE1 4.34Å; A120-Y263 PolarHBondContact N-OH 3.26Å; I122-Y263 HydrophobicContact CD1-CD2 4.2Å; I122-Y263 HydrophobicContact CD1-CG 4.17Å; I122-Y263 HydrophobicContact CG2-CD1 4.07Å; I122-Y263 HydrophobicContact CG2-CD2 4.24Å; I122-Y263 HydrophobicContact CG2-CE1 4.46Å; I122-Y263 HydrophobicContact CG2-CG 3.97Å; D208-Y263 HydrophobicContact CB-CE2 3.82Å; D208-Y263 VanDerWaalsContact CB-OH 3.31Å; D208-Y263 WeakPolarHBondContact CB-OH 3.27Å; D208-Y263 VanDerWaalsContact CG-OH 3.31Å; D208-Y263 PolarHBondContact OD2-OH 3.08Å; T258-Y263 HydrophobicContact CG2-CD2 3.67Å; T258-Y263 HydrophobicContact CG2-CE2 3.46Å; T258-Y263 VanDerWaalsContact CG2-CE2 3.46Å; V260-Y263 PolarHBondContact O-N 3.03Å; T261-Y263 VanDerWaalsContact C-N 3.29Å; T261-Y263 PolarHBondContact O-N 2.99Å; Y263-D265 VanDerWaalsContact C-N 3.33Å; Y263-D265 PolarHBondContact O-N 2.88Å; Y263-W266 PolarHBondContact O-N 3.47Å; Y263-I267 WeakPolarHBondContact O-CG1 3.25Å; Y263-I267 PolarHBondContact O-N 3.45Å
264	L	98.6	Very high	96.3	Very high	10 Å²	10	49 Å²	49	5%	0.052	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-41.8	-176.6	-74.3	170.9	0	0	0	113.2	L142 P143 A145 V260 T261 W266 I267 H268	L142-L264 HydrophobicContact CB-CD2 4.06Å; L142-L264 HydrophobicContact CD1-CD2 4.37Å; P143-L264 VanDerWaalsContact O-CD1 3.27Å; P143-L264 WeakPolarHBondContact O-CD1 3.1Å; A145-L264 HydrophobicContact CB-CD1 3.98Å; V260-L264 HydrophobicContact CG1-CD2 4.14Å; V260-L264 PolarHBondContact O-N 3.46Å; T261-L264 HydrophobicContact CG2-CD1 4.29Å; L264-W266 VanDerWaalsContact C-N 3.34Å; L264-I267 PolarHBondContact O-N 3.12Å; L264-H268 WeakPolarHBondContact O-CB 3.46Å; L264-H268 VanDerWaalsContact O-CG 3.25Å; L264-H268 PolarHBondContact O-N 2.94Å; L264-H268 PolarHBondContact O-ND1 3.35Å
265	D	98.4	Very high	94.1	Very high	142 Å²	142	53.2 Å²	53.2	76%	0.759	26%	0.256	S	S	*	.	H	α-helix	trans	-65.1	-40.7	-180	-70.2	-19.2	0	0	0	111.4	Y263 H268 H269	Y263-D265 VanDerWaalsContact C-N 3.33Å; Y263-D265 PolarHBondContact O-N 2.88Å; D265-H268 PolarHBondContact O-N 3.27Å; D265-H269 PolarHBondContact O-N 3.38Å
266	W	98.8	Very high	91.4	Very high	31 Å²	31	61.2 Å²	61.2	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-43.2	174.1	175.6	85.5	0	0	0	111.6	I108 H110 I122 L124 Y263 L264 H268 H269 Y270	I108-W266 HydrophobicContact CG2-CZ2 3.91Å; H110-W266 HydrophobicContact CB-CZ2 4.16Å; H110-W266 AromaticContact CD2-CD1 3.59Å; H110-W266 AromaticContact CD2-CD2 3.55Å; H110-W266 AromaticContact CD2-CE2 3.66Å; H110-W266 AromaticContact CD2-CG 3.53Å; H110-W266 AromaticContact CD2-NE1 3.65Å; H110-W266 AromaticContact NE2-CD1 3.9Å; H110-W266 AromaticContact NE2-CG 3.92Å; I122-W266 HydrophobicContact CD1-CZ3 4.45Å; I122-W266 HydrophobicContact CG1-CZ3 4.14Å; I122-W266 HydrophobicContact CG2-CE3 4.2Å; I122-W266 HydrophobicContact CG2-CH2 4.37Å; I122-W266 HydrophobicContact CG2-CZ3 3.9Å; L124-W266 HydrophobicContact CB-CH2 4.3Å; L124-W266 HydrophobicContact CD1-CE3 4.42Å; L124-W266 HydrophobicContact CD1-CH2 3.85Å; L124-W266 HydrophobicContact CD1-CZ2 4.41Å; L124-W266 HydrophobicContact CD1-CZ3 3.86Å; L124-W266 HydrophobicContact CG-CH2 3.67Å; L124-W266 HydrophobicContact CG-CZ3 3.74Å; Y263-W266 PolarHBondContact O-N 3.47Å; L264-W266 VanDerWaalsContact C-N 3.34Å; W266-H268 PolarHBondContact O-N 3.35Å; W266-H269 WeakPolarHBondContact O-CB 3.3Å; W266-H269 PolarHBondContact O-N 2.96Å; W266-Y270 AromaticContact CD1-CE2 3.98Å; W266-Y270 HydrophobicContact CD2-CE2 4.44Å; W266-Y270 AromaticContact CE2-CE2 3.87Å; W266-Y270 HydrophobicContact CZ2-CE2 4.34Å; W266-Y270 AromaticContact NE1-CE2 3.56Å; W266-Y270 VanDerWaalsContact O-CD2 3.27Å; W266-Y270 WeakPolarHBondContact O-CD2 3.46Å
267	I	98.8	Very high	88.8	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-49.4	175.9	-65.8	166	0	0	0	110.1	I64 L70 I122 L142 V260 Y263 L264 H269 Y270 V271	I64-I267 HydrophobicContact CD1-CG2 3.86Å; L70-I267 HydrophobicContact CD1-CD1 4.38Å; L70-I267 HydrophobicContact CD2-CD1 4.3Å; I122-I267 HydrophobicContact CD1-CD1 4.14Å; L142-I267 HydrophobicContact CD1-CD1 4.44Å; L142-I267 HydrophobicContact CD1-CG2 3.77Å; V260-I267 HydrophobicContact CG1-CD1 4.3Å; Y263-I267 WeakPolarHBondContact O-CG1 3.25Å; Y263-I267 PolarHBondContact O-N 3.45Å; L264-I267 PolarHBondContact O-N 3.12Å; I267-H269 PolarHBondContact O-N 2.73Å; I267-Y270 PolarHBondContact O-N 3.13Å; I267-Y270 VanDerWaalsContact O-N 3.15Å; I267-V271 HydrophobicContact CG2-CB 4.18Å; I267-V271 HydrophobicContact CG2-CG2 3.97Å; I267-V271 WeakPolarHBondContact O-CB 3.27Å; I267-V271 WeakPolarHBondContact O-CG2 3.4Å; I267-V271 PolarHBondContact O-N 2.93Å
268	H	98.1	Very high	85.9	Confident	63 Å²	63	70.1 Å²	70.1	29%	0.292	37%	0.369	S	S	.	.	H	α-helix	trans	-71.9	-13.6	-177.2	-66.2	138.6	0	0	0	114.3	L264 D265 W266 Y270 K273	L264-H268 WeakPolarHBondContact O-CB 3.46Å; L264-H268 VanDerWaalsContact O-CG 3.25Å; L264-H268 PolarHBondContact O-N 2.94Å; L264-H268 PolarHBondContact O-ND1 3.35Å; D265-H268 PolarHBondContact O-N 3.27Å; W266-H268 PolarHBondContact O-N 3.35Å; H268-Y270 PolarHBondContact O-N 3.02Å; H268-K273 HydrophobicContact CB-CG 4.49Å; H268-K273 WeakPolarHBondContact ND1-CE 3.47Å
269	H	98.3	Very high	83	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.657	40%	0.399	S	S	*	.	H	α-helix	trans	-64.4	-32.3	169.9	-178.1	76.1	0	0	0	111.8	D265 W266 I267	D265-H269 PolarHBondContact O-N 3.38Å; W266-H269 WeakPolarHBondContact O-CB 3.3Å; W266-H269 PolarHBondContact O-N 2.96Å; I267-H269 PolarHBondContact O-N 2.73Å
270	Y	98.1	Very high	80.3	Confident	72 Å²	72	78 Å²	78	28%	0.282	43%	0.427	S	S	.	.	H	α-helix	trans	-107.2	-39.9	-178.6	-57.2	-77.7	0	0	0	113.2	W68 I108 L124 W266 I267 H268	W68-Y270 WeakPolarHBondContact CZ2-O 3.34Å; I108-Y270 HydrophobicContact CD1-CD1 3.44Å; I108-Y270 VanDerWaalsContact CD1-CD1 3.44Å; I108-Y270 HydrophobicContact CD1-CD2 4.32Å; I108-Y270 HydrophobicContact CD1-CE1 3.75Å; I108-Y270 HydrophobicContact CD1-CG 3.75Å; I108-Y270 HydrophobicContact CG2-CD2 4.43Å; I108-Y270 HydrophobicContact CG2-CE1 4.18Å; I108-Y270 HydrophobicContact CG2-CE2 3.92Å; L124-Y270 HydrophobicContact CD1-CD2 3.84Å; L124-Y270 HydrophobicContact CD1-CG 4.21Å; W266-Y270 AromaticContact CD1-CE2 3.98Å; W266-Y270 HydrophobicContact CD2-CE2 4.44Å; W266-Y270 AromaticContact CE2-CE2 3.87Å; W266-Y270 HydrophobicContact CZ2-CE2 4.34Å; W266-Y270 AromaticContact NE1-CE2 3.56Å; W266-Y270 VanDerWaalsContact O-CD2 3.27Å; W266-Y270 WeakPolarHBondContact O-CD2 3.46Å; I267-Y270 PolarHBondContact O-N 3.13Å; I267-Y270 VanDerWaalsContact O-N 3.15Å; H268-Y270 PolarHBondContact O-N 3.02Å
271	V	97.6	Very high	77.5	Confident	7 Å²	7	83.4 Å²	83.4	4%	0.042	46%	0.464	C	S	.	.	S	Bend	trans	-93.3	120.7	-173.7	-173.1	0	0	0	0	109.6	I64 H65 W68 L124 I267 K273	I64-V271 HydrophobicContact CD1-CG1 4.31Å; I64-V271 HydrophobicContact CD1-CG2 3.93Å; H65-V271 HydrophobicContact CB-CG1 3.69Å; W68-V271 HydrophobicContact CB-CG1 4.22Å; W68-V271 HydrophobicContact CB-CG2 3.97Å; W68-V271 HydrophobicContact CD2-CG2 3.8Å; W68-V271 HydrophobicContact CE3-CG2 4.12Å; W68-V271 HydrophobicContact CG-CB 4.4Å; W68-V271 HydrophobicContact CG-CG1 4.1Å; W68-V271 HydrophobicContact CG-CG2 3.74Å; L124-V271 HydrophobicContact CD1-CG2 3.98Å; L124-V271 HydrophobicContact CD2-CG2 3.9Å; I267-V271 HydrophobicContact CG2-CB 4.18Å; I267-V271 HydrophobicContact CG2-CG2 3.97Å; I267-V271 WeakPolarHBondContact O-CB 3.27Å; I267-V271 WeakPolarHBondContact O-CG2 3.4Å; I267-V271 PolarHBondContact O-N 2.93Å; V271-K273 PolarHBondContact O-N 2.93Å
272	P	93.8	Very high	74.6	Confident	74 Å²	74	92.1 Å²	92.1	48%	0.481	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-56.5	132.4	177.9	-25	34.2	0	0	0	111.8	K274	P272-K274 PolarHBondContact O-N 3.03Å
273	K	84.6	Confident	71.6	Confident	143 Å²	143	90.5 Å²	90.5	62%	0.622	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-64	136.2	167.9	-70.7	-174.4	179.5	-179.4	0	108.7	H268 V271	H268-K273 HydrophobicContact CB-CG 4.49Å; H268-K273 WeakPolarHBondContact ND1-CE 3.47Å; V271-K273 PolarHBondContact O-N 2.93Å
274	K	69.8	Low	68.7	Low	128 Å²	128	96.7 Å²	96.7	56%	0.557	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-59.3	135.3	166.5	-76.2	-177.2	-178.7	172.9	0	107.8	T139 P272 D276	T139-K274 PolarHBondContact OG1-NZ 3.04Å; P272-K274 PolarHBondContact O-N 3.03Å; K274-D276 PolarHBondContact O-N 2.97Å
275	P	53.2	Low	65.9	Low	96 Å²	96	106.9 Å²	106.9	62%	0.623	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.3	172.6	-14.8	25.4	0	0	0	108.7	G277 V278	P275-G277 PolarHBondContact O-N 3.48Å; P275-G277 VanDerWaalsContact O-N 3.15Å; P275-V278 HydrophobicContact CB-CG2 4.04Å
276	D	41.4	Very low	63	Low	169 Å²	169	105.3 Å²	105.3	90%	0.904	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	120.3	173.1	-69.9	-40.4	0	0	0	108.9	K274	K274-D276 PolarHBondContact O-N 2.97Å
277	G	43.3	Very low	60.2	Low	83 Å²	83	115.2 Å²	115.2	86%	0.856	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.1	6.1	169.5	0	0	0	0	0	117.9	P275	P275-G277 PolarHBondContact O-N 3.48Å; P275-G277 VanDerWaalsContact O-N 3.15Å
278	V	38.4	Very low	57.6	Low	104 Å²	104	120.9 Å²	120.9	63%	0.63	65%	0.649	S	S	*	*			trans	-97.2	104.6	173.9	-173.9	0	0	0	0	109.9	P275	P275-V278 HydrophobicContact CB-CG2 4.04Å
279	S	38.5	Very low	55.3	Low	94 Å²	94	123.7 Å²	123.7	66%	0.657	67%	0.673	S	S	*	*			trans	-57.5	146.7	163.9	-65.9	0	0	0	0	108.9	C281	S279-C281 PolarHBondContact O-N 3.04Å
280	P	42.3	Very low	52.9	Low	113 Å²	113	124.6 Å²	124.6	73%	0.734	68%	0.682	S	S	*	*			trans	-62.4	101	178.2	-6.9	19.6	0	0	0	108.2	W282	P280-W282 VanDerWaalsContact C-N 3.29Å; P280-W282 PolarHBondContact O-N 3Å
281	C	38.3	Very low	50.4	Low	113 Å²	113	129.6 Å²	129.6	76%	0.764	71%	0.713	S	S	*	*			trans	-67.8	100.7	160.9	-74.6	0	0	0	0	105.3	S279 P283	S279-C281 PolarHBondContact O-N 3.04Å; C281-P283 WeakPolarHBondContact O-CD 3.3Å
282	W	38.6	Very low	47.9	Very low	206 Å²	206	142.6 Å²	142.6	78%	0.78	77%	0.769	S	S	*	*			trans	-47.4	123.8	163.4	-62.1	94.2	0	0	0	107.8	P280 V284	P280-W282 VanDerWaalsContact C-N 3.29Å; P280-W282 PolarHBondContact O-N 3Å; W282-V284 PolarHBondContact O-N 3.06Å
283	P	36.9	Very low	45.6	Very low	102 Å²	102	146 Å²	146	66%	0.662	78%	0.783	S	S	*	*			trans	-64.6	105.4	169.4	-5.7	18.3	0	0	0	106.6	C281 W285	C281-P283 WeakPolarHBondContact O-CD 3.3Å; P283-W285 VanDerWaalsContact C-N 3.27Å; P283-W285 PolarHBondContact O-N 3.44Å
284	V	36.4	Very low	43.5	Very low	138 Å²	138	146.2 Å²	146.2	84%	0.836	79%	0.792	S	S	*	*			trans	-68.1	98.3	162.1	179.7	0	0	0	0	104.6	W282 S286	W282-V284 PolarHBondContact O-N 3.06Å; V284-S286 PolarHBondContact O-N 3.25Å; V284-S286 VanDerWaalsContact O-N 3.12Å
285	W	41.2	Very low	42.1	Very low	225 Å²	225	147.2 Å²	147.2	85%	0.852	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-53	121.4	170.7	-70.9	89.5	0	0	0	108.2	P283 R287	P283-W285 VanDerWaalsContact C-N 3.27Å; P283-W285 PolarHBondContact O-N 3.44Å; W285-R287 PolarHBondContact O-N 3.28Å
286	S	37.3	Very low	41.4	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-50.6	122.7	174.2	44.7	0	0	0	0	109.7	V284 T288	V284-S286 PolarHBondContact O-N 3.25Å; V284-S286 VanDerWaalsContact O-N 3.12Å; S286-T288 PolarHBondContact O-N 3.34Å
287	R	40.3	Very low	41.4	Very low	240 Å²	240	149 Å²	149	91%	0.906	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-52.5	123.5	167.7	-72.6	-179.1	-125.4	-163.4	-0.1	108.7	W285	W285-R287 PolarHBondContact O-N 3.28Å
288	T	43	Very low	41.3	Very low	119 Å²	119	153.4 Å²	153.4	73%	0.73	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-54.4	137.4	161.1	41.1	0	0	0	0	109.4	S286 D290	S286-T288 PolarHBondContact O-N 3.34Å; T288-D290 PolarHBondContact O-N 3.43Å
289	P	50.3	Low	41.5	Very low	122 Å²	122	156.9 Å²	156.9	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.9	124.5	167.9	1.8	13.8	0	0	0	108.7	L291	P289-L291 PolarHBondContact O-N 3.39Å
290	D	47.9	Very low	41.7	Very low	161 Å²	161	161.8 Å²	161.8	86%	0.861	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-59.1	123.8	166.8	-75.9	-46.5	0	0	0	109.6	T288	T288-D290 PolarHBondContact O-N 3.43Å
291	L	45.1	Very low	41.7	Very low	176 Å²	176	165.8 Å²	165.8	92%	0.921	84%	0.84	S	S	*	*			trans	-80.7	110.7	163.2	-84	155.4	0	0	0	108.4	P289	P289-L291 PolarHBondContact O-N 3.39Å
292	K	44.6	Very low	42	Very low	280 Å²	280	170.6 Å²	170.6	100%	1.217	85%	0.847	S	S	*	*			trans	-138.6	0	150.2	-85.3	-167.4	178.5	-179.1	0	109.2

Retrieved 292 of 292 residues in 197.4 ms (Link to these results)

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