A0A077Z1J3_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1J3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 348 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	69.2	Low	68.5	Low	169 Å²	169	96.4 Å²	96.4	83%	0.833	48%	0.478	S	S	*	.				0	119.6	0	-173.4	178.4	-88	0	0	106.9	S202	M1-S202 WeakPolarHBondContact SD-CB 3.22Å
2	F	74.4	Confident	66.9	Low	106 Å²	106	96.1 Å²	96.1	47%	0.465	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-97.9	152.6	-174	-63.6	-87.6	0	0	0	111	Y179 S202 F203 P205	F2-Y179 HydrophobicContact CD1-CE2 4.43Å; F2-S202 WeakPolarHBondContact O-CA 3.37Å; F2-F203 HydrophobicContact CB-CD1 4.25Å; F2-F203 HydrophobicContact CB-CE1 3.67Å; F2-F203 HydrophobicContact CB-CE2 4.05Å; F2-F203 HydrophobicContact CB-CZ 3.57Å; F2-F203 HydrophobicContact CG-CZ 4.46Å; F2-F203 PolarHBondContact N-O 3.12Å; F2-F203 PolarHBondContact O-N 3.25Å; F2-P205 VanDerWaalsContact CD2-CD 3.43Å; F2-P205 HydrophobicContact CD2-CG 3.8Å; F2-P205 HydrophobicContact CE2-CG 3.67Å
3	R	73.3	Confident	65.9	Low	220 Å²	220	91.2 Å²	91.2	83%	0.83	47%	0.467	S	S	*	.			trans	-118.3	141.5	169.2	-70	-173.9	179.9	-172.9	0	108.6
4	L	72.9	Confident	64.9	Low	17 Å²	17	91.1 Å²	91.1	9%	0.089	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-79	149.9	175.5	-76.1	169.9	0	0	0	111.1	M177 E178 Y179 F189 G199 F203	L4-M177 HydrophobicContact CB-SD 4.25Å; L4-M177 HydrophobicContact CD1-CB 4.01Å; L4-M177 HydrophobicContact CD1-CG 4.11Å; L4-M177 HydrophobicContact CD1-SD 4.03Å; L4-E178 VanDerWaalsContact CD2-O 3.27Å; L4-E178 WeakPolarHBondContact CD2-O 3.47Å; L4-Y179 HydrophobicContact CD2-CG 4.41Å; L4-F189 HydrophobicContact CD1-CD1 3.17Å; L4-F189 HydrophobicContact CD1-CD2 4.34Å; L4-F189 HydrophobicContact CD1-CE1 3.2Å; L4-F189 HydrophobicContact CD1-CE2 4.35Å; L4-F189 HydrophobicContact CD1-CG 3.78Å; L4-F189 HydrophobicContact CD1-CZ 3.82Å; L4-F189 HydrophobicContact CD2-CE1 4.13Å; L4-F189 HydrophobicContact CD2-CE2 4.2Å; L4-F189 HydrophobicContact CD2-CZ 3.88Å; L4-F189 HydrophobicContact CG-CD1 4.34Å; L4-F189 HydrophobicContact CG-CE1 3.93Å; L4-F189 HydrophobicContact CG-CZ 4.18Å; L4-G199 WeakPolarHBondContact CD1-O 3.36Å; L4-F203 HydrophobicContact CD2-CE1 3.86Å; L4-F203 HydrophobicContact CD2-CZ 4.08Å; L4-F203 HydrophobicContact CG-CD1 4.15Å; L4-F203 HydrophobicContact CG-CE1 3.63Å; L4-F203 HydrophobicContact CG-CZ 4.34Å
5	T	73.4	Confident	64.6	Low	84 Å²	84	87.5 Å²	87.5	52%	0.515	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.2	163.5	41.1	0	0	0	0	109.2	E178	T5-E178 PolarHBondContact O-N 3.41Å; T5-E178 PolarHBondContact OG1-O 2.82Å
6	E	73.3	Confident	64	Low	69 Å²	69	89.2 Å²	89.2	32%	0.322	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.3	170.1	-174.7	-176.1	115.8	0	0	108.3	H8 K175	E6-H8 IonicContact OE1-CE1 3.04Å; E6-H8 PolarHBondContact OE1-CE1 3.23Å; E6-K175 HydrophobicContact CG-CB 4.29Å; E6-K175 HydrophobicContact CG-CD 4.22Å; E6-K175 HydrophobicContact CG-CG 4.3Å; E6-K175 WeakPolarHBondContact OE1-CD 3.41Å; E6-K175 WeakPolarHBondContact OE1-CE 3.32Å; E6-K175 IonicContact OE1-NZ 3.19Å; E6-K175 PolarHBondContact OE1-NZ 3.34Å; E6-K175 IonicContact OE2-NZ 3.83Å; E6-K175 PolarHBondContact OE2-NZ 3.43Å; E6-K175 VanDerWaalsContact OE2-NZ 3.07Å
7	V	73.8	Confident	63.5	Low	51 Å²	51	85 Å²	85	31%	0.309	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.4	177.5	-174.2	0	0	0	0	108.6	K176	V7-K176 HydrophobicContact CB-CD 4.43Å; V7-K176 HydrophobicContact CB-CG 3.86Å; V7-K176 PolarHBondContact N-O 2.81Å; V7-K176 WeakPolarHBondContact O-CG 3.17Å; V7-K176 PolarHBondContact O-N 2.94Å
8	H	72.3	Confident	63.1	Low	111 Å²	111	83.2 Å²	83.2	51%	0.514	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.7	174.6	-73.1	69.3	0	0	0	109.3	E6 D10	E6-H8 IonicContact OE1-CE1 3.04Å; E6-H8 PolarHBondContact OE1-CE1 3.23Å; H8-D10 PolarHBondContact O-N 3.41Å
9	V	61	Low	62.6	Low	24 Å²	24	81.3 Å²	81.3	15%	0.145	42%	0.424	C	S	.	.			trans	-84.3	106	177.4	-177.8	0	0	0	0	108.1	F170 G173 M174 K176	V9-F170 HydrophobicContact CG1-CB 4.24Å; V9-F170 HydrophobicContact CG2-CB 3.89Å; V9-F170 HydrophobicContact CG2-CD1 4.41Å; V9-F170 HydrophobicContact CG2-CG 4.43Å; V9-G173 PolarHBondContact O-N 3.44Å; V9-M174 WeakPolarHBondContact CB-O 3.49Å; V9-M174 VanDerWaalsContact CG2-O 3.22Å; V9-M174 WeakPolarHBondContact CG2-O 3.31Å; V9-M174 PolarHBondContact N-O 2.99Å; V9-K176 HydrophobicContact CG2-CB 4.23Å; V9-K176 HydrophobicContact CG2-CD 4.21Å; V9-K176 HydrophobicContact CG2-CG 4.16Å
10	D	56.1	Low	62	Low	136 Å²	136	79 Å²	79	73%	0.727	41%	0.409	S	S	*	.			trans	-67.6	139.7	177.6	-69.1	-35.8	0	0	0	111.5	H8 S12	H8-D10 PolarHBondContact O-N 3.41Å; D10-S12 PolarHBondContact O-N 3.46Å
11	S	54.2	Low	61	Low	73 Å²	73	79.9 Å²	79.9	51%	0.51	41%	0.414	S	S	.	.			trans	-71.2	94.8	173	-170.6	0	0	0	0	109.5	M13	S11-M13 VanDerWaalsContact C-N 3.33Å; S11-M13 PolarHBondContact O-N 3.17Å
12	S	49.5	Very low	59.7	Low	93 Å²	93	74.3 Å²	74.3	65%	0.65	39%	0.388	S	S	*	.			trans	-86.3	7.7	-175.8	51.3	0	0	0	0	114.9	D10	D10-S12 PolarHBondContact O-N 3.46Å
13	M	53	Low	57.8	Low	33 Å²	33	71.9 Å²	71.9	16%	0.163	39%	0.387	C	S	.	.			trans	-147.4	22.9	-151.2	-84.3	-72.2	129.3	0	0	118.3	S11 G143 Y155	S11-M13 VanDerWaalsContact C-N 3.33Å; S11-M13 PolarHBondContact O-N 3.17Å; M13-G143 WeakPolarHBondContact SD-CA 3.48Å; M13-Y155 HydrophobicContact CE-CD1 4.37Å; M13-Y155 HydrophobicContact CE-CD2 4.21Å; M13-Y155 HydrophobicContact CE-CE1 3.61Å; M13-Y155 HydrophobicContact CE-CE2 3.35Å; M13-Y155 WeakPolarHBondContact CE-OH 3.5Å; M13-Y155 HydrophobicContact CG-CD1 3.58Å; M13-Y155 HydrophobicContact CG-CE1 3.36Å; M13-Y155 HydrophobicContact CG-CG 4.3Å; M13-Y155 HydrophobicContact SD-CD1 3.34Å; M13-Y155 WeakPolarHBondContact SD-CD1 3.24Å; M13-Y155 HydrophobicContact SD-CD2 3.46Å; M13-Y155 WeakPolarHBondContact SD-CD2 3.12Å; M13-Y155 HydrophobicContact SD-CE1 3.15Å; M13-Y155 WeakPolarHBondContact SD-CE1 2.94Å; M13-Y155 HydrophobicContact SD-CE2 3.22Å; M13-Y155 WeakPolarHBondContact SD-CE2 3.35Å; M13-Y155 HydrophobicContact SD-CG 3.52Å; M13-Y155 VanDerWaalsContact SD-CG 3.52Å
14	I	52	Low	56.1	Low	89 Å²	89	65.5 Å²	65.5	46%	0.456	38%	0.382	S	S	.	.			trans	-104.3	98.1	174.8	-55.1	179	0	0	0	109.7	P141	I14-P141 HydrophobicContact CG2-CB 4.41Å
15	Q	60.6	Low	54.2	Low	37 Å²	37	67.4 Å²	67.4	17%	0.173	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-107.1	137.3	169.9	-63.6	169.2	-5	0	0	108.7	Y118 F142 C144	Q15-Y118 HydrophobicContact CB-CD2 4.45Å; Q15-Y118 HydrophobicContact CB-CE2 3.96Å; Q15-Y118 HydrophobicContact CG-CE2 3.87Å; Q15-Y118 PolarHBondContact NE2-OH 3.41Å; Q15-Y118 PolarHBondContact OE1-OH 3.49Å; Q15-F142 HydrophobicContact CB-CD1 4.35Å; Q15-F142 HydrophobicContact CB-CD2 4.38Å; Q15-F142 HydrophobicContact CB-CE1 3.91Å; Q15-F142 HydrophobicContact CB-CE2 3.95Å; Q15-F142 HydrophobicContact CB-CZ 3.69Å; Q15-F142 PolarHBondContact N-O 2.85Å; Q15-F142 WeakPolarHBondContact O-CD1 3.11Å; Q15-C144 VanDerWaalsContact OE1-CB 3.26Å
16	V	55.3	Low	52.1	Low	115 Å²	115	71.1 Å²	71.1	70%	0.697	42%	0.422	S	S	*	.			trans	-112.3	128.2	176.4	-173.2	0	0	0	0	107.1
17	C	55.7	Low	50	Low	18 Å²	18	71.6 Å²	71.6	12%	0.122	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-74	141.4	177	-176.1	0	0	0	0	109.2	T117 F128 F142	C17-T117 PolarHBondContact SG-O 3.3Å; C17-F128 HydrophobicContact CB-CE1 3.82Å; C17-F128 HydrophobicContact CB-CZ 3.85Å; C17-F142 HydrophobicContact CB-CE1 4.02Å
18	Q	55.3	Low	47.8	Very low	52 Å²	52	74 Å²	74	24%	0.243	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.9	170.5	-65.3	-164.5	-42.8	0	0	110	V46 T117	Q18-V46 VanDerWaalsContact CD-CB 3.49Å; Q18-V46 VanDerWaalsContact NE2-CB 3.32Å; Q18-V46 PolarHBondContact NE2-O 3.47Å; Q18-T117 PolarHBondContact N-O 3.02Å; Q18-T117 PolarHBondContact O-N 3.39Å
19	T	53.8	Low	45.5	Very low	48 Å²	48	81.1 Å²	81.1	29%	0.294	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	172.2	-49.3	0	0	0	0	109.4	L21 K114 L116	T19-L21 HydrophobicContact CG2-CD1 4.2Å; T19-K114 HydrophobicContact CG2-CB 4.34Å; T19-K114 HydrophobicContact CG2-CD 4Å; T19-K114 HydrophobicContact CG2-CG 4.37Å; T19-L116 HydrophobicContact CG2-CD2 4.25Å
20	R	50.4	Low	43.9	Very low	34 Å²	34	87.8 Å²	87.8	13%	0.128	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.6	165.3	-161.8	-178.6	-166.7	172.1	2.1	108.6	P49 P50 Y52 D115	R20-P49 HydrophobicContact CB-CG 4.32Å; R20-P49 HydrophobicContact CG-CG 3.86Å; R20-P49 VanDerWaalsContact CZ-CB 3.47Å; R20-P50 PolarHBondContact NE-O 3.25Å; R20-P50 PolarHBondContact NH2-O 2.65Å; R20-Y52 PolarHBondContact NH2-OH 3.47Å; R20-D115 HydrophobicContact CB-CB 4.33Å; R20-D115 PolarHBondContact N-O 2.81Å; R20-D115 VanDerWaalsContact N-O 3.13Å
21	L	41.5	Very low	42.5	Very low	98 Å²	98	85 Å²	85	51%	0.513	52%	0.522	S	S	.	.			trans	-97.6	124.4	170.5	-103.5	130.7	0	0	0	109.5	T19 F32	T19-L21 HydrophobicContact CG2-CD1 4.2Å; L21-F32 HydrophobicContact CB-CZ 4.23Å; L21-F32 HydrophobicContact CD1-CE1 4.26Å
22	L	41.3	Very low	41.3	Very low	52 Å²	52	89.4 Å²	89.4	27%	0.272	53%	0.532	S	S	.	.			trans	-83.2	114.5	168.8	-67	172.4	0	0	0	108.6	A24 Y52 I111	L22-A24 PolarHBondContact O-N 2.99Å; L22-Y52 HydrophobicContact CD2-CD2 3.98Å; L22-Y52 HydrophobicContact CD2-CG 4.23Å; L22-Y52 VanDerWaalsContact CD2-N 3.34Å; L22-Y52 WeakPolarHBondContact CD2-O 3.41Å; L22-I111 HydrophobicContact CD1-CB 4.17Å; L22-I111 WeakPolarHBondContact CD1-O 3.2Å
23	A	36	Very low	40.1	Very low	55 Å²	55	93.8 Å²	93.8	46%	0.455	54%	0.542	S	S	.	.			trans	-77.3	113.5	177	0	0	0	0	0	110	G25	A23-G25 PolarHBondContact O-N 2.6Å
24	A	36.2	Very low	39.1	Very low	87 Å²	87	97.9 Å²	97.9	72%	0.719	57%	0.571	S	S	*	*			trans	-73.6	100.8	163.9	0	0	0	0	0	108.4	L22 N26	L22-A24 PolarHBondContact O-N 2.99Å; A24-N26 PolarHBondContact O-N 2.97Å
25	G	32.5	Very low	38.1	Very low	57 Å²	57	105.8 Å²	105.8	59%	0.588	60%	0.596	S	S	*	*			trans	-80.6	103.1	-179.6	0	0	0	0	0	112	A23	A23-G25 PolarHBondContact O-N 2.6Å
26	N	31.1	Very low	36.6	Very low	161 Å²	161	110 Å²	110	86%	0.861	63%	0.63	S	S	*	*	S	Bend	trans	-105.7	115.7	138.1	-91.9	-9.2	0	0	0	105.6	A24 S28	A24-N26 PolarHBondContact O-N 2.97Å; N26-S28 PolarHBondContact O-N 3.4Å; N26-S28 VanDerWaalsContact O-N 3.16Å
27	G	28.6	Very low	35.5	Very low	79 Å²	79	107 Å²	107	81%	0.814	62%	0.621	S	S	*	*	S	Bend	trans	-25	106.6	-165.9	0	0	0	0	0	116.9
28	S	27.1	Very low	34.2	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	66%	0.659	S	S	*	*			trans	-170.2	123.3	154.8	-78.5	0	0	0	0	109.3	N26 M30	N26-S28 PolarHBondContact O-N 3.4Å; N26-S28 VanDerWaalsContact O-N 3.16Å; S28-M30 PolarHBondContact O-N 3.31Å
29	R	24.9	Very low	33	Very low	261 Å²	261	111.9 Å²	111.9	99%	0.985	67%	0.674	S	S	*	*			trans	-73.7	102.8	-175.8	-166	178.6	179	-169.9	-0.3	109.2
30	M	27.3	Very low	32	Very low	165 Å²	165	116 Å²	116	81%	0.813	71%	0.705	S	S	*	*			trans	-100.1	115.5	171.5	-65	-170.6	-173.7	0	0	109.4	S28	S28-M30 PolarHBondContact O-N 3.31Å
31	G	25.6	Very low	31.3	Very low	77 Å²	77	116.7 Å²	116.7	79%	0.794	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-78.6	145.1	173	0	0	0	0	0	111
32	F	29.2	Very low	30.9	Very low	165 Å²	165	117.8 Å²	117.8	72%	0.724	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-93.7	123.9	171.6	-73.6	-89.3	0	0	0	109.5	L21	L21-F32 HydrophobicContact CB-CZ 4.23Å; L21-F32 HydrophobicContact CD1-CE1 4.26Å
33	E	24.5	Very low	30.5	Very low	185 Å²	185	119.2 Å²	119.2	86%	0.864	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-84	127.3	166.4	-73.7	-179.5	111.5	0	0	109.3	W35	E33-W35 PolarHBondContact O-N 2.9Å
34	P	31.6	Very low	30.4	Very low	120 Å²	120	124.3 Å²	124.3	78%	0.779	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-70.7	130.4	169.6	23.5	-20.5	0	0	0	109	S36	P34-S36 PolarHBondContact O-N 3.43Å; P34-S36 VanDerWaalsContact O-N 3.12Å
35	W	31.3	Very low	30	Very low	254 Å²	254	129 Å²	129	96%	0.962	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.9	174.7	-107.1	50.1	0	0	0	110.9	E33 G37	E33-W35 PolarHBondContact O-N 2.9Å; W35-G37 PolarHBondContact O-N 2.96Å
36	S	28.9	Very low	30	Very low	127 Å²	127	130.3 Å²	130.3	89%	0.888	77%	0.772	S	S	*	*			trans	-79.4	66.9	172.7	56.2	0	0	0	0	110.6	P34	P34-S36 PolarHBondContact O-N 3.43Å; P34-S36 VanDerWaalsContact O-N 3.12Å
37	G	33.3	Very low	29.8	Very low	51 Å²	51	130.2 Å²	130.2	53%	0.526	77%	0.771	S	S	.	*			trans	-106.3	100.1	174.4	0	0	0	0	0	110.5	W35 C39	W35-G37 PolarHBondContact O-N 2.96Å; G37-C39 PolarHBondContact O-N 3.36Å
38	G	28.7	Very low	29.8	Very low	88 Å²	88	132.9 Å²	132.9	91%	0.907	77%	0.766	S	S	*	*			trans	-56.2	90.3	-172.5	0	0	0	0	0	115.9
39	C	29	Very low	30.2	Very low	84 Å²	84	130.1 Å²	130.1	57%	0.568	75%	0.745	S	S	*	*			trans	-113.4	113.1	165.6	-68.7	0	0	0	0	109.8	G37 G41	G37-C39 PolarHBondContact O-N 3.36Å; C39-G41 PolarHBondContact O-N 2.93Å; C39-G41 VanDerWaalsContact O-N 3.09Å
40	S	32.4	Very low	31	Very low	134 Å²	134	121.8 Å²	121.8	94%	0.937	73%	0.725	S	S	*	*			trans	-77.3	84.2	171.8	51.6	0	0	0	0	110.1
41	G	37	Very low	32.1	Very low	49 Å²	49	116.7 Å²	116.7	51%	0.505	71%	0.71	S	S	.	*	S	Bend	trans	-150.7	160.9	165.9	0	0	0	0	0	108.2	C39 A43	C39-G41 PolarHBondContact O-N 2.93Å; C39-G41 VanDerWaalsContact O-N 3.09Å; G41-A43 VanDerWaalsContact C-N 3.33Å; G41-A43 PolarHBondContact O-N 3.1Å
42	P	33.5	Very low	33.6	Very low	121 Å²	121	115.3 Å²	115.3	79%	0.786	68%	0.681	S	S	*	*			trans	-64.1	99.3	177.8	26.9	-30.5	0	0	0	107.8	H44	P42-H44 VanDerWaalsContact C-N 3.25Å; P42-H44 PolarHBondContact O-N 3.5Å
43	A	32	Very low	35	Very low	82 Å²	82	112 Å²	112	68%	0.678	67%	0.667	S	S	*	*			trans	-62.5	97.7	165	0	0	0	0	0	105.4	G41 H45	G41-A43 VanDerWaalsContact C-N 3.33Å; G41-A43 PolarHBondContact O-N 3.1Å; A43-H45 VanDerWaalsContact C-N 3.35Å; A43-H45 PolarHBondContact O-N 3.47Å
44	H	33.5	Very low	37	Very low	163 Å²	163	104.5 Å²	104.5	76%	0.755	63%	0.633	S	S	*	*			trans	-56.3	111.5	160.4	-88.2	-93.2	0	0	0	105.1	P42 V46	P42-H44 VanDerWaalsContact C-N 3.25Å; P42-H44 PolarHBondContact O-N 3.5Å; H44-V46 HydrophobicContact CB-CG2 4.15Å; H44-V46 WeakPolarHBondContact O-CG2 3.47Å; H44-V46 PolarHBondContact O-N 3Å
45	H	28.6	Very low	38.8	Very low	186 Å²	186	102.2 Å²	102.2	86%	0.861	61%	0.611	S	S	*	*			trans	-60	87.6	166	-84.1	-89	0	0	0	106.6	A43 L47	A43-H45 VanDerWaalsContact C-N 3.35Å; A43-H45 PolarHBondContact O-N 3.47Å; H45-L47 PolarHBondContact O-N 2.96Å
46	V	32.7	Very low	40.6	Very low	83 Å²	83	94.3 Å²	94.3	50%	0.503	59%	0.591	S	S	.	*			trans	-77.4	115.4	176.3	-178	0	0	0	0	106.1	Q18 H44 L48	Q18-V46 VanDerWaalsContact CD-CB 3.49Å; Q18-V46 VanDerWaalsContact NE2-CB 3.32Å; Q18-V46 PolarHBondContact NE2-O 3.47Å; H44-V46 HydrophobicContact CB-CG2 4.15Å; H44-V46 WeakPolarHBondContact O-CG2 3.47Å; H44-V46 PolarHBondContact O-N 3Å; V46-L48 PolarHBondContact O-N 3.05Å
47	L	26.5	Very low	42.2	Very low	159 Å²	159	88.9 Å²	88.9	83%	0.832	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-52.6	123.9	179.4	-68.9	162.4	0	0	0	109.2	H45 P49	H45-L47 PolarHBondContact O-N 2.96Å; L47-P49 WeakPolarHBondContact O-CD 3.46Å
48	L	27.7	Very low	43.3	Very low	135 Å²	135	92.3 Å²	92.3	71%	0.707	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.1	172.4	-72.7	167.4	0	0	0	108.2	V46	V46-L48 PolarHBondContact O-N 3.05Å
49	P	35.2	Very low	44.4	Very low	43 Å²	43	97.1 Å²	97.1	28%	0.279	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-66.5	146	175	29.9	-35.6	0	0	0	109	R20 L47 A51	R20-P49 HydrophobicContact CB-CG 4.32Å; R20-P49 HydrophobicContact CG-CG 3.86Å; R20-P49 VanDerWaalsContact CZ-CB 3.47Å; L47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-A51 PolarHBondContact O-N 2.95Å
50	P	43.7	Very low	45.5	Very low	86 Å²	86	98.7 Å²	98.7	56%	0.558	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-53.8	132.4	-166.6	15.7	-28.2	0	0	0	111.8	R20 Y52	R20-P50 PolarHBondContact NE-O 3.25Å; R20-P50 PolarHBondContact NH2-O 2.65Å; P50-Y52 HydrophobicContact CG-CE1 4.49Å; P50-Y52 PolarHBondContact O-N 3.47Å
51	A	50	Low	46.4	Very low	59 Å²	59	95.7 Å²	95.7	49%	0.488	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-63.8	121.3	173.8	0	0	0	0	0	108.4	P49	P49-A51 PolarHBondContact O-N 2.95Å
52	Y	55.6	Low	46.8	Very low	48 Å²	48	103.4 Å²	103.4	19%	0.188	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-85.9	135.6	168.3	-52.7	-67.4	0	0	0	108.7	R20 L22 P50 Y94	R20-Y52 PolarHBondContact NH2-OH 3.47Å; L22-Y52 HydrophobicContact CD2-CD2 3.98Å; L22-Y52 HydrophobicContact CD2-CG 4.23Å; L22-Y52 VanDerWaalsContact CD2-N 3.34Å; L22-Y52 WeakPolarHBondContact CD2-O 3.41Å; P50-Y52 HydrophobicContact CG-CE1 4.49Å; P50-Y52 PolarHBondContact O-N 3.47Å; Y52-Y94 WeakPolarHBondContact CD2-OH 3.41Å; Y52-Y94 WeakPolarHBondContact CE2-OH 3.06Å; Y52-Y94 VanDerWaalsContact CZ-OH 3.31Å
53	H	59.7	Low	47.6	Very low	94 Å²	94	100.7 Å²	100.7	44%	0.435	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-91.9	122	175.9	-70.7	-67.2	0	0	0	108.7	F55	H53-F55 HydrophobicContact CB-CD2 4.18Å; H53-F55 HydrophobicContact CB-CE1 4.07Å; H53-F55 HydrophobicContact CB-CE2 3.33Å; H53-F55 HydrophobicContact CB-CZ 3.28Å; H53-F55 WeakPolarHBondContact O-CD2 3.38Å; H53-F55 VanDerWaalsContact O-CE2 3.25Å; H53-F55 WeakPolarHBondContact O-CE2 3.27Å
54	L	65.5	Low	48.6	Very low	28 Å²	28	101 Å²	101	15%	0.147	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.4	120.7	170.9	-172.6	69	0	0	0	108.8	R80 I82 V91 I111	L54-R80 HydrophobicContact CD1-CB 4.25Å; L54-R80 VanDerWaalsContact CD2-CZ 3.44Å; L54-R80 VanDerWaalsContact CD2-NE 3.3Å; L54-I82 HydrophobicContact CD1-CD1 4.03Å; L54-I82 HydrophobicContact CD1-CG1 3.5Å; L54-I82 VanDerWaalsContact CD1-CG1 3.5Å; L54-V91 HydrophobicContact CD1-CG2 4.29Å; L54-I111 HydrophobicContact CD1-CD1 3.52Å; L54-I111 HydrophobicContact CD2-CD1 3.88Å; L54-I111 HydrophobicContact CG-CD1 4.36Å
55	F	71.2	Confident	49.7	Very low	73 Å²	73	95.5 Å²	95.5	32%	0.32	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	150.8	-177.9	-60.3	-84.3	0	0	0	110	H53 R80 Y81 L83	H53-F55 HydrophobicContact CB-CD2 4.18Å; H53-F55 HydrophobicContact CB-CE1 4.07Å; H53-F55 HydrophobicContact CB-CE2 3.33Å; H53-F55 HydrophobicContact CB-CZ 3.28Å; H53-F55 WeakPolarHBondContact O-CD2 3.38Å; H53-F55 VanDerWaalsContact O-CE2 3.25Å; H53-F55 WeakPolarHBondContact O-CE2 3.27Å; F55-R80 VanDerWaalsContact O-CA 3.29Å; F55-R80 WeakPolarHBondContact O-CA 3.44Å; F55-Y81 HydrophobicContact CB-CD1 3.92Å; F55-Y81 HydrophobicContact CB-CD2 4.26Å; F55-Y81 HydrophobicContact CB-CE1 3.34Å; F55-Y81 HydrophobicContact CB-CE2 3.74Å; F55-Y81 HydrophobicContact CB-CG 4.33Å; F55-Y81 WeakPolarHBondContact CB-OH 3.23Å; F55-Y81 HydrophobicContact CD2-CD2 4.42Å; F55-Y81 AromaticContact CD2-CE2 3.87Å; F55-Y81 HydrophobicContact CD2-CE2 3.87Å; F55-Y81 HydrophobicContact CG-CE1 4.41Å; F55-Y81 HydrophobicContact CG-CE2 4.04Å; F55-Y81 AromaticContact CG-CZ 3.83Å; F55-Y81 PolarHBondContact N-O 3.39Å; F55-Y81 PolarHBondContact O-N 3.36Å; F55-L83 HydrophobicContact CD2-CD1 4.14Å; F55-L83 HydrophobicContact CD2-CG 4.19Å; F55-L83 HydrophobicContact CE2-CB 4.2Å; F55-L83 HydrophobicContact CE2-CD1 3.66Å; F55-L83 HydrophobicContact CE2-CG 3.98Å; F55-L83 HydrophobicContact CZ-CD1 4.13Å
56	T	67.6	Low	51.7	Low	87 Å²	87	93.4 Å²	93.4	53%	0.534	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.3	165.7	-53.5	0	0	0	0	106.5	T58	T56-T58 PolarHBondContact O-N 3.12Å
57	A	62.1	Low	54.3	Low	14 Å²	14	92 Å²	92	12%	0.116	53%	0.533	C	S	.	.			trans	-69.2	101.6	179.7	0	0	0	0	0	109.8	K59 F67 L76 G78 Q79 Y81	A57-K59 PolarHBondContact O-N 3.28Å; A57-F67 HydrophobicContact CB-CD1 4.39Å; A57-F67 HydrophobicContact CB-CE1 3.96Å; A57-L76 WeakPolarHBondContact CB-O 3.5Å; A57-G78 PolarHBondContact O-N 2.91Å; A57-Q79 PolarHBondContact N-O 2.85Å; A57-Y81 HydrophobicContact CB-CD1 4.27Å; A57-Y81 HydrophobicContact CB-CE1 3.93Å
58	T	56.2	Low	57.4	Low	123 Å²	123	85.5 Å²	85.5	76%	0.755	50%	0.5	S	S	*	.			trans	-86.9	88.4	176.2	57.1	0	0	0	0	109.3	T56	T56-T58 PolarHBondContact O-N 3.12Å
59	K	53.3	Low	60.4	Low	189 Å²	189	79 Å²	79	82%	0.822	47%	0.466	S	S	*	.	S	Bend	trans	78.4	145.9	179.2	-54.4	175.8	176.4	179.5	0	114.8	A57	A57-K59 PolarHBondContact O-N 3.28Å
60	D	52.3	Low	63.2	Low	116 Å²	116	84.8 Å²	84.8	62%	0.62	48%	0.482	S	S	*	.			trans	-51.4	136	171	-70.5	-44.6	0	0	0	109.1	E62 A77	D60-E62 PolarHBondContact O-N 3.41Å; D60-E62 VanDerWaalsContact O-N 3.14Å; D60-A77 WeakPolarHBondContact OD1-CB 3.36Å
61	P	50.2	Low	65.5	Low	71 Å²	71	85.3 Å²	85.3	46%	0.461	48%	0.477	S	S	.	.			trans	-55.4	125.9	169.1	22.7	-29.3	0	0	0	107.6	G63	P61-G63 PolarHBondContact O-N 3.19Å
62	E	46.4	Very low	67.6	Low	211 Å²	211	84.6 Å²	84.6	99%	0.986	47%	0.468	S	S	*	.	S	Bend	trans	-59.9	85.2	171.9	-70.2	-177	163	0	0	108.1	D60	D60-E62 PolarHBondContact O-N 3.41Å; D60-E62 VanDerWaalsContact O-N 3.14Å
63	G	49.7	Very low	69.4	Low	64 Å²	64	87.4 Å²	87.4	66%	0.66	49%	0.486	S	S	*	.	S	Bend	trans	150.6	45.3	-168.4	0	0	0	0	0	115.2	P61 G65	P61-G63 PolarHBondContact O-N 3.19Å; G63-G65 PolarHBondContact O-N 2.83Å
64	G	52.6	Low	70.9	Confident	90 Å²	90	88.7 Å²	88.7	93%	0.928	49%	0.492	S	S	*	.			trans	51.2	7.8	151.7	0	0	0	0	0	120.4
65	G	57.2	Low	72.1	Confident	46 Å²	46	91.2 Å²	91.2	47%	0.474	51%	0.51	S	S	.	.			trans	-87.9	128.7	-174.9	0	0	0	0	0	111.2	G63 F67	G63-G65 PolarHBondContact O-N 2.83Å; G65-F67 PolarHBondContact O-N 2.98Å
66	H	71	Confident	72.9	Confident	142 Å²	142	87.8 Å²	87.8	66%	0.657	50%	0.495	S	S	*	.			trans	-59.8	89.3	177.7	-173.8	-98.4	0	0	0	111.4	N68	H66-N68 PolarHBondContact CD2-ND2 2.89Å; H66-N68 PolarHBondContact CE1-ND2 3.12Å; H66-N68 VanDerWaalsContact ND1-CG 3.3Å; H66-N68 PolarHBondContact NE2-ND2 2.87Å; H66-N68 PolarHBondContact O-N 2.89Å
67	F	86.4	Confident	73.6	Confident	53 Å²	53	85.5 Å²	85.5	23%	0.232	49%	0.486	C	S	.	.			trans	-87.6	79.3	178.7	-171.1	-110.1	0	0	0	110.8	A57 G65 L76 Y81 P88	A57-F67 HydrophobicContact CB-CD1 4.39Å; A57-F67 HydrophobicContact CB-CE1 3.96Å; G65-F67 PolarHBondContact O-N 2.98Å; F67-L76 HydrophobicContact CD1-CB 3.62Å; F67-L76 HydrophobicContact CE1-CB 3.5Å; F67-L76 VanDerWaalsContact CE1-CB 3.5Å; F67-L76 HydrophobicContact CE1-CD1 4.03Å; F67-L76 HydrophobicContact CE1-CG 4.43Å; F67-L76 HydrophobicContact CZ-CB 4.41Å; F67-L76 HydrophobicContact CZ-CD1 4.16Å; F67-L76 WeakPolarHBondContact O-CB 3.24Å; F67-L76 PolarHBondContact O-N 2.93Å; F67-Y81 AromaticContact CE1-CD1 3.96Å; F67-Y81 HydrophobicContact CE1-CD1 3.96Å; F67-Y81 AromaticContact CE1-CE1 3.82Å; F67-Y81 HydrophobicContact CE1-CE1 3.82Å; F67-Y81 HydrophobicContact CE1-CG 4.37Å; F67-Y81 HydrophobicContact CZ-CD1 4.04Å; F67-Y81 AromaticContact CZ-CD2 3.95Å; F67-Y81 HydrophobicContact CZ-CD2 3.95Å; F67-Y81 AromaticContact CZ-CE1 3.74Å; F67-Y81 HydrophobicContact CZ-CE1 3.74Å; F67-Y81 AromaticContact CZ-CE2 3.65Å; F67-Y81 HydrophobicContact CZ-CE2 3.65Å; F67-Y81 HydrophobicContact CZ-CG 4.14Å; F67-Y81 AromaticContact CZ-CZ 3.54Å; F67-P88 HydrophobicContact CE2-CB 3.9Å; F67-P88 HydrophobicContact CE2-CG 3.94Å; F67-P88 HydrophobicContact CZ-CB 3.99Å; F67-P88 HydrophobicContact CZ-CG 4.49Å
68	N	90.8	Very high	74.4	Confident	23 Å²	23	87.4 Å²	87.4	12%	0.123	51%	0.507	C	S	.	.	B	Isolated β-bridge	trans	-119.9	160.7	-173.5	-64.7	25.8	0	0	0	111.3	H66 W70 D73 Q74	H66-N68 PolarHBondContact CD2-ND2 2.89Å; H66-N68 PolarHBondContact CE1-ND2 3.12Å; H66-N68 VanDerWaalsContact ND1-CG 3.3Å; H66-N68 PolarHBondContact NE2-ND2 2.87Å; H66-N68 PolarHBondContact O-N 2.89Å; N68-W70 PolarHBondContact O-N 2.86Å; N68-D73 PolarHBondContact ND2-O 2.92Å; N68-Q74 CarbonylContact C-O 3.59Å; N68-Q74 VanDerWaalsContact CA-O 3.3Å; N68-Q74 WeakPolarHBondContact CA-O 3.38Å; N68-Q74 WeakPolarHBondContact CB-O 3.29Å
69	C	91.8	Very high	75.7	Confident	0 Å²	0	87.2 Å²	87.2	0%	0	50%	0.497	C	S	.	.			trans	-60.7	125.3	173.3	179	0	0	0	0	109.8	H71 C72 D73 Q74 L76 P88 C90	C69-H71 PolarHBondContact O-N 3.4Å; C69-H71 VanDerWaalsContact O-N 3.09Å; C69-C72 VanDerWaalsContact CB-SG 3.51Å; C69-C72 PolarHBondContact O-N 3.46Å; C69-D73 VanDerWaalsContact O-CA 3.27Å; C69-D73 WeakPolarHBondContact O-CA 3.49Å; C69-D73 PolarHBondContact O-N 2.85Å; C69-Q74 PolarHBondContact N-O 3.03Å; C69-L76 HydrophobicContact CB-CD1 4.49Å; C69-L76 HydrophobicContact CB-CD2 4.1Å; C69-L76 HydrophobicContact CB-CG 4.34Å; C69-P88 CarbonylContact C-O 3.57Å; C69-P88 WeakPolarHBondContact CA-O 3.25Å; C69-C90 HydrophobicContact CB-CB 4.07Å; C69-C90 PolarHBondContact SG-N 2.92Å
70	W	93	Very high	77.2	Confident	164 Å²	164	82.5 Å²	82.5	62%	0.621	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.9	179.7	-170.5	-96.8	0	0	0	114.1	N68 H87 P88	N68-W70 PolarHBondContact O-N 2.86Å; W70-H87 HydrophobicContact CB-CB 4.11Å; W70-H87 HydrophobicContact CD2-CB 4.1Å; W70-H87 AromaticContact CD2-CD2 3.31Å; W70-H87 AromaticContact CD2-CG 3.94Å; W70-H87 AromaticContact CE2-CD2 3.29Å; W70-H87 AromaticContact CE2-NE2 3.81Å; W70-H87 AromaticContact CE3-CD2 3.44Å; W70-H87 VanDerWaalsContact CE3-CD2 3.44Å; W70-H87 HydrophobicContact CG-CB 3.89Å; W70-H87 AromaticContact CH2-CD2 3.49Å; W70-H87 VanDerWaalsContact CH2-CD2 3.49Å; W70-H87 WeakPolarHBondContact CH2-CD2 3.43Å; W70-H87 AromaticContact CH2-NE2 3.61Å; W70-H87 AromaticContact CZ2-CD2 3.39Å; W70-H87 WeakPolarHBondContact CZ2-CD2 3.47Å; W70-H87 AromaticContact CZ2-NE2 3.48Å; W70-H87 WeakPolarHBondContact CZ2-NE2 3.48Å; W70-H87 AromaticContact CZ3-CD2 3.52Å; W70-H87 AromaticContact NE1-CD2 3.94Å; W70-P88 WeakPolarHBondContact CB-O 2.92Å; W70-P88 PolarHBondContact N-O 2.76Å
71	H	93	Very high	78.7	Confident	97 Å²	97	78.6 Å²	78.6	45%	0.449	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-38.8	-178.2	-179.8	-100.6	0	0	0	114.3	C69 C93 L97	C69-H71 PolarHBondContact O-N 3.4Å; C69-H71 VanDerWaalsContact O-N 3.09Å; H71-C93 HydrophobicContact CB-CB 3.87Å; H71-C93 PolarHBondContact ND1-SG 3.39Å; H71-L97 HydrophobicContact CB-CD1 4.01Å
72	C	94.4	Very high	80.3	Confident	44 Å²	44	75.2 Å²	75.2	30%	0.297	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	3.2	-173.2	68.9	0	0	0	0	114.6	C69 Q74	C69-C72 VanDerWaalsContact CB-SG 3.51Å; C69-C72 PolarHBondContact O-N 3.46Å; C72-Q74 HydrophobicContact CB-CG 4.39Å; C72-Q74 PolarHBondContact O-N 3.38Å; C72-Q74 VanDerWaalsContact SG-CG 3.56Å
73	D	93	Very high	82	Confident	107 Å²	107	68.3 Å²	68.3	57%	0.572	40%	0.398	S	S	*	.			trans	53.5	16	-177.9	-69.1	-41.6	0	0	0	114.9	N68 C69	N68-D73 PolarHBondContact ND2-O 2.92Å; C69-D73 VanDerWaalsContact O-CA 3.27Å; C69-D73 WeakPolarHBondContact O-CA 3.49Å; C69-D73 PolarHBondContact O-N 2.85Å
74	Q	92.1	Very high	83.5	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.561	38%	0.38	S	S	*	.			trans	-73.6	137.3	175.1	-67.3	-61.1	-51.8	0	0	110.7	N68 C69 C72 L76	N68-Q74 CarbonylContact C-O 3.59Å; N68-Q74 VanDerWaalsContact CA-O 3.3Å; N68-Q74 WeakPolarHBondContact CA-O 3.38Å; N68-Q74 WeakPolarHBondContact CB-O 3.29Å; C69-Q74 PolarHBondContact N-O 3.03Å; C72-Q74 HydrophobicContact CB-CG 4.39Å; C72-Q74 PolarHBondContact O-N 3.38Å; C72-Q74 VanDerWaalsContact SG-CG 3.56Å; Q74-L76 PolarHBondContact O-N 3.28Å
75	P	90.4	Very high	85	Confident	81 Å²	81	70.5 Å²	70.5	53%	0.526	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-56	132.6	175.4	-24.3	33.3	0	0	0	112
76	L	87.2	Confident	86.3	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	38%	0.384	C	S	.	.			trans	-97.9	-3.3	178.8	-66.5	174.9	0	0	0	113.2	A57 F67 C69 Q74 G78 Q79 Y81 P88 C90	A57-L76 WeakPolarHBondContact CB-O 3.5Å; F67-L76 HydrophobicContact CD1-CB 3.62Å; F67-L76 HydrophobicContact CE1-CB 3.5Å; F67-L76 VanDerWaalsContact CE1-CB 3.5Å; F67-L76 HydrophobicContact CE1-CD1 4.03Å; F67-L76 HydrophobicContact CE1-CG 4.43Å; F67-L76 HydrophobicContact CZ-CB 4.41Å; F67-L76 HydrophobicContact CZ-CD1 4.16Å; F67-L76 WeakPolarHBondContact O-CB 3.24Å; F67-L76 PolarHBondContact O-N 2.93Å; C69-L76 HydrophobicContact CB-CD1 4.49Å; C69-L76 HydrophobicContact CB-CD2 4.1Å; C69-L76 HydrophobicContact CB-CG 4.34Å; Q74-L76 PolarHBondContact O-N 3.28Å; L76-G78 PolarHBondContact O-N 2.86Å; L76-Q79 WeakPolarHBondContact O-CB 3.11Å; L76-Q79 PolarHBondContact O-N 3.28Å; L76-Y81 HydrophobicContact CD1-CG 4.29Å; L76-P88 HydrophobicContact CD1-CB 3.66Å; L76-P88 HydrophobicContact CD1-CG 4.24Å; L76-C90 HydrophobicContact CD2-CB 3.52Å
77	A	82.7	Confident	87.1	Confident	40 Å²	40	72 Å²	72	33%	0.331	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	123.2	176.4	0	0	0	0	0	110.7	D60 Q79	D60-A77 WeakPolarHBondContact OD1-CB 3.36Å; A77-Q79 PolarHBondContact O-N 3.13Å
78	G	79.6	Confident	87.3	Confident	54 Å²	54	70.3 Å²	70.3	56%	0.557	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	1.6	-176	0	0	0	0	0	115.6	A57 L76	A57-G78 PolarHBondContact O-N 2.91Å; L76-G78 PolarHBondContact O-N 2.86Å
79	Q	82.4	Confident	87.2	Confident	118 Å²	118	69.8 Å²	69.8	55%	0.551	36%	0.359	S	S	*	.	S	Bend	trans	-100.3	159.7	176.9	-61.5	-65.4	-34.1	0	0	111.3	A57 L76 A77	A57-Q79 PolarHBondContact N-O 2.85Å; L76-Q79 WeakPolarHBondContact O-CB 3.11Å; L76-Q79 PolarHBondContact O-N 3.28Å; A77-Q79 PolarHBondContact O-N 3.13Å
80	R	84.1	Confident	87.1	Confident	91 Å²	91	70.8 Å²	70.8	34%	0.343	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.3	168.8	-65.9	164.8	74.6	-158.4	11.3	109.1	L54 F55 V91 D112	L54-R80 HydrophobicContact CD1-CB 4.25Å; L54-R80 VanDerWaalsContact CD2-CZ 3.44Å; L54-R80 VanDerWaalsContact CD2-NE 3.3Å; F55-R80 VanDerWaalsContact O-CA 3.29Å; F55-R80 WeakPolarHBondContact O-CA 3.44Å; R80-V91 HydrophobicContact CB-CG2 3.7Å; R80-D112 IonicContact CZ-OD1 3.81Å; R80-D112 IonicContact CZ-OD2 3.93Å; R80-D112 IonicContact NH1-OD1 3.45Å; R80-D112 PolarHBondContact NH1-OD1 2.7Å; R80-D112 IonicContact NH1-OD2 2.81Å; R80-D112 PolarHBondContact NH1-OD2 2.77Å; R80-D112 IonicContact NH2-OD1 2.86Å; R80-D112 PolarHBondContact NH2-OD1 3.38Å; R80-D112 IonicContact NH2-OD2 2.74Å; R80-D112 PolarHBondContact NH2-OD2 2.8Å
81	Y	84.1	Confident	86.9	Confident	33 Å²	33	64.2 Å²	64.2	13%	0.129	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.8	178.6	72.8	-86.2	0	0	0	111.9	F55 A57 F67 L76 L83 P88 H89	F55-Y81 HydrophobicContact CB-CD1 3.92Å; F55-Y81 HydrophobicContact CB-CD2 4.26Å; F55-Y81 HydrophobicContact CB-CE1 3.34Å; F55-Y81 HydrophobicContact CB-CE2 3.74Å; F55-Y81 HydrophobicContact CB-CG 4.33Å; F55-Y81 WeakPolarHBondContact CB-OH 3.23Å; F55-Y81 HydrophobicContact CD2-CD2 4.42Å; F55-Y81 AromaticContact CD2-CE2 3.87Å; F55-Y81 HydrophobicContact CD2-CE2 3.87Å; F55-Y81 HydrophobicContact CG-CE1 4.41Å; F55-Y81 HydrophobicContact CG-CE2 4.04Å; F55-Y81 AromaticContact CG-CZ 3.83Å; F55-Y81 PolarHBondContact N-O 3.39Å; F55-Y81 PolarHBondContact O-N 3.36Å; A57-Y81 HydrophobicContact CB-CD1 4.27Å; A57-Y81 HydrophobicContact CB-CE1 3.93Å; F67-Y81 AromaticContact CE1-CD1 3.96Å; F67-Y81 HydrophobicContact CE1-CD1 3.96Å; F67-Y81 AromaticContact CE1-CE1 3.82Å; F67-Y81 HydrophobicContact CE1-CE1 3.82Å; F67-Y81 HydrophobicContact CE1-CG 4.37Å; F67-Y81 HydrophobicContact CZ-CD1 4.04Å; F67-Y81 AromaticContact CZ-CD2 3.95Å; F67-Y81 HydrophobicContact CZ-CD2 3.95Å; F67-Y81 AromaticContact CZ-CE1 3.74Å; F67-Y81 HydrophobicContact CZ-CE1 3.74Å; F67-Y81 AromaticContact CZ-CE2 3.65Å; F67-Y81 HydrophobicContact CZ-CE2 3.65Å; F67-Y81 HydrophobicContact CZ-CG 4.14Å; F67-Y81 AromaticContact CZ-CZ 3.54Å; L76-Y81 HydrophobicContact CD1-CG 4.29Å; Y81-L83 HydrophobicContact CD2-CD2 4.35Å; Y81-L83 HydrophobicContact CD2-CG 4.26Å; Y81-L83 HydrophobicContact CE2-CD1 4.24Å; Y81-L83 HydrophobicContact CE2-CD2 3.95Å; Y81-L83 HydrophobicContact CE2-CG 3.77Å; Y81-P88 HydrophobicContact CD2-CB 3.98Å; Y81-P88 HydrophobicContact CE2-CB 4.43Å; Y81-H89 CarbonylContact C-O 3.56Å; Y81-H89 VanDerWaalsContact CA-O 3.24Å; Y81-H89 WeakPolarHBondContact CA-O 3.32Å; Y81-H89 WeakPolarHBondContact CB-O 3.28Å
82	I	84.1	Confident	86.9	Confident	1 Å²	1	67 Å²	67	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131	178.3	-62.5	167.6	0	0	0	108.4	L54 H89 Y94 I111	L54-I82 HydrophobicContact CD1-CD1 4.03Å; L54-I82 HydrophobicContact CD1-CG1 3.5Å; L54-I82 VanDerWaalsContact CD1-CG1 3.5Å; I82-H89 PolarHBondContact N-O 2.95Å; I82-H89 PolarHBondContact O-N 3.03Å; I82-Y94 HydrophobicContact CB-CD2 3.76Å; I82-Y94 HydrophobicContact CB-CE2 4.21Å; I82-Y94 HydrophobicContact CB-CG 4.06Å; I82-Y94 HydrophobicContact CD1-CD1 3.37Å; I82-Y94 HydrophobicContact CD1-CD2 3.96Å; I82-Y94 HydrophobicContact CD1-CE1 3.8Å; I82-Y94 HydrophobicContact CD1-CE2 4.33Å; I82-Y94 HydrophobicContact CD1-CG 3.47Å; I82-Y94 VanDerWaalsContact CD1-CG 3.47Å; I82-Y94 HydrophobicContact CG1-CD2 4.46Å; I82-Y94 HydrophobicContact CG1-CG 4.32Å; I82-Y94 HydrophobicContact CG2-CD2 3.57Å; I82-Y94 HydrophobicContact CG2-CE2 3.5Å; I82-Y94 HydrophobicContact CG2-CG 4.24Å; I82-I111 HydrophobicContact CD1-CB 4.19Å; I82-I111 HydrophobicContact CD1-CD1 4.07Å; I82-I111 HydrophobicContact CD1-CG2 3.37Å
83	L	82.7	Confident	86.8	Confident	65 Å²	65	65.2 Å²	65.2	34%	0.34	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.8	170.3	-68.9	171.5	0	0	0	109.2	F55 Y81 P88	F55-L83 HydrophobicContact CD2-CD1 4.14Å; F55-L83 HydrophobicContact CD2-CG 4.19Å; F55-L83 HydrophobicContact CE2-CB 4.2Å; F55-L83 HydrophobicContact CE2-CD1 3.66Å; F55-L83 HydrophobicContact CE2-CG 3.98Å; F55-L83 HydrophobicContact CZ-CD1 4.13Å; Y81-L83 HydrophobicContact CD2-CD2 4.35Å; Y81-L83 HydrophobicContact CD2-CG 4.26Å; Y81-L83 HydrophobicContact CE2-CD1 4.24Å; Y81-L83 HydrophobicContact CE2-CD2 3.95Å; Y81-L83 HydrophobicContact CE2-CG 3.77Å; L83-P88 HydrophobicContact CD2-CB 3.85Å
84	R	81	Confident	86.6	Confident	73 Å²	73	60.6 Å²	60.6	28%	0.275	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.4	170	-176.6	172.8	-179	156.7	1.1	108.2	D86 H87	R84-D86 PolarHBondContact O-N 3.41Å; R84-H87 PolarHBondContact N-O 3.04Å; R84-H87 VanDerWaalsContact N-O 3.14Å; R84-H87 PolarHBondContact O-N 2.93Å
85	D	85	Confident	86.5	Confident	127 Å²	127	57.4 Å²	57.4	68%	0.679	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.9	-177.3	-51.9	-45.2	0	0	0	112	H87	D85-H87 PolarHBondContact O-CE1 3.03Å; D85-H87 VanDerWaalsContact O-CE1 3.26Å; D85-H87 PolarHBondContact O-N 2.93Å; D85-H87 VanDerWaalsContact O-N 3.14Å; D85-H87 PolarHBondContact O-ND1 2.93Å
86	D	83.7	Confident	86.4	Confident	152 Å²	152	60.5 Å²	60.5	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	4.1	-176.3	-57.9	-43.7	0	0	0	117.1	R84	R84-D86 PolarHBondContact O-N 3.41Å
87	H	88.3	Confident	86.5	Confident	67 Å²	67	64.2 Å²	64.2	31%	0.31	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.1	178.4	-59.2	95.7	0	0	0	111.7	W70 R84 D85 H89	W70-H87 HydrophobicContact CB-CB 4.11Å; W70-H87 HydrophobicContact CD2-CB 4.1Å; W70-H87 AromaticContact CD2-CD2 3.31Å; W70-H87 AromaticContact CD2-CG 3.94Å; W70-H87 AromaticContact CE2-CD2 3.29Å; W70-H87 AromaticContact CE2-NE2 3.81Å; W70-H87 AromaticContact CE3-CD2 3.44Å; W70-H87 VanDerWaalsContact CE3-CD2 3.44Å; W70-H87 HydrophobicContact CG-CB 3.89Å; W70-H87 AromaticContact CH2-CD2 3.49Å; W70-H87 VanDerWaalsContact CH2-CD2 3.49Å; W70-H87 WeakPolarHBondContact CH2-CD2 3.43Å; W70-H87 AromaticContact CH2-NE2 3.61Å; W70-H87 AromaticContact CZ2-CD2 3.39Å; W70-H87 WeakPolarHBondContact CZ2-CD2 3.47Å; W70-H87 AromaticContact CZ2-NE2 3.48Å; W70-H87 WeakPolarHBondContact CZ2-NE2 3.48Å; W70-H87 AromaticContact CZ3-CD2 3.52Å; W70-H87 AromaticContact NE1-CD2 3.94Å; R84-H87 PolarHBondContact N-O 3.04Å; R84-H87 VanDerWaalsContact N-O 3.14Å; R84-H87 PolarHBondContact O-N 2.93Å; D85-H87 PolarHBondContact O-CE1 3.03Å; D85-H87 VanDerWaalsContact O-CE1 3.26Å; D85-H87 PolarHBondContact O-N 2.93Å; D85-H87 VanDerWaalsContact O-N 3.14Å; D85-H87 PolarHBondContact O-ND1 2.93Å; H87-H89 PolarHBondContact O-ND1 2.92Å
88	P	89.9	Confident	86.8	Confident	19 Å²	19	65.3 Å²	65.3	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.5	179.5	32.3	-34.8	0	0	0	111.6	F67 C69 W70 L76 Y81 L83	F67-P88 HydrophobicContact CE2-CB 3.9Å; F67-P88 HydrophobicContact CE2-CG 3.94Å; F67-P88 HydrophobicContact CZ-CB 3.99Å; F67-P88 HydrophobicContact CZ-CG 4.49Å; C69-P88 CarbonylContact C-O 3.57Å; C69-P88 WeakPolarHBondContact CA-O 3.25Å; W70-P88 WeakPolarHBondContact CB-O 2.92Å; W70-P88 PolarHBondContact N-O 2.76Å; L76-P88 HydrophobicContact CD1-CB 3.66Å; L76-P88 HydrophobicContact CD1-CG 4.24Å; Y81-P88 HydrophobicContact CD2-CB 3.98Å; Y81-P88 HydrophobicContact CE2-CB 4.43Å; L83-P88 HydrophobicContact CD2-CB 3.85Å
89	H	88.4	Confident	87.2	Confident	11 Å²	11	63.8 Å²	63.8	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137	176.5	-66.8	74.1	0	0	0	109.9	Y81 I82 H87 F98	Y81-H89 CarbonylContact C-O 3.56Å; Y81-H89 VanDerWaalsContact CA-O 3.24Å; Y81-H89 WeakPolarHBondContact CA-O 3.32Å; Y81-H89 WeakPolarHBondContact CB-O 3.28Å; I82-H89 PolarHBondContact N-O 2.95Å; I82-H89 PolarHBondContact O-N 3.03Å; H87-H89 PolarHBondContact O-ND1 2.92Å; H89-F98 AromaticContact CD2-CE2 3.91Å; H89-F98 AromaticContact NE2-CE2 3.8Å
90	C	90.8	Very high	87.6	Confident	21 Å²	21	60.3 Å²	60.3	14%	0.142	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	155.2	167	76.3	0	0	0	0	109.4	C69 L76 K92 C93 Y94	C69-C90 HydrophobicContact CB-CB 4.07Å; C69-C90 PolarHBondContact SG-N 2.92Å; L76-C90 HydrophobicContact CD2-CB 3.52Å; C90-K92 VanDerWaalsContact C-N 3.25Å; C90-K92 PolarHBondContact O-N 3.2Å; C90-C93 PolarHBondContact O-N 3.24Å; C90-C93 PolarHBondContact SG-N 3.24Å; C90-C93 VanDerWaalsContact SG-N 3.41Å; C90-C93 PolarHBondContact SG-SG 3.32Å; C90-Y94 PolarHBondContact O-N 3.23Å
91	V	88.8	Confident	88	Confident	26 Å²	26	60.1 Å²	60.1	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-51.4	-45	-179	174.8	0	0	0	0	112.3	L54 R80 Y94 E95 I111	L54-V91 HydrophobicContact CD1-CG2 4.29Å; R80-V91 HydrophobicContact CB-CG2 3.7Å; V91-Y94 PolarHBondContact O-N 3.36Å; V91-E95 HydrophobicContact CG1-CG 4.31Å; V91-E95 WeakPolarHBondContact O-CG 3.32Å; V91-E95 PolarHBondContact O-N 2.98Å; V91-I111 HydrophobicContact CB-CD1 4.04Å; V91-I111 HydrophobicContact CG1-CD1 3.39Å; V91-I111 HydrophobicContact CG1-CG1 3.67Å; V91-I111 HydrophobicContact CG2-CD1 3.51Å
92	K	91.7	Very high	88.5	Confident	156 Å²	156	58.5 Å²	58.5	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-60.3	-51.3	-179	-65.1	-175.9	180	-178.9	0	112.3	C90 Y94 E95 E96	C90-K92 VanDerWaalsContact C-N 3.25Å; C90-K92 PolarHBondContact O-N 3.2Å; K92-Y94 VanDerWaalsContact C-N 3.31Å; K92-Y94 PolarHBondContact O-N 3.24Å; K92-E95 PolarHBondContact O-N 2.97Å; K92-E96 WeakPolarHBondContact O-CB 3.35Å; K92-E96 WeakPolarHBondContact O-CG 3.49Å; K92-E96 PolarHBondContact O-N 3.03Å
93	C	92.6	Very high	89	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-34.9	179.8	-65.9	0	0	0	0	111.8	H71 C90 L97	H71-C93 HydrophobicContact CB-CB 3.87Å; H71-C93 PolarHBondContact ND1-SG 3.39Å; C90-C93 PolarHBondContact O-N 3.24Å; C90-C93 PolarHBondContact SG-N 3.24Å; C90-C93 VanDerWaalsContact SG-N 3.41Å; C90-C93 PolarHBondContact SG-SG 3.32Å; C93-L97 VanDerWaalsContact O-CB 3.31Å; C93-L97 WeakPolarHBondContact O-CB 3.4Å; C93-L97 WeakPolarHBondContact O-CD1 3.37Å; C93-L97 WeakPolarHBondContact O-CG 3.38Å; C93-L97 PolarHBondContact O-N 2.79Å
94	Y	89.1	Confident	89.6	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.039	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-47.7	173.7	-178.2	-86.3	0	0	0	111.2	Y52 I82 C90 V91 K92 E96 L97 F98 I111	Y52-Y94 WeakPolarHBondContact CD2-OH 3.41Å; Y52-Y94 WeakPolarHBondContact CE2-OH 3.06Å; Y52-Y94 VanDerWaalsContact CZ-OH 3.31Å; I82-Y94 HydrophobicContact CB-CD2 3.76Å; I82-Y94 HydrophobicContact CB-CE2 4.21Å; I82-Y94 HydrophobicContact CB-CG 4.06Å; I82-Y94 HydrophobicContact CD1-CD1 3.37Å; I82-Y94 HydrophobicContact CD1-CD2 3.96Å; I82-Y94 HydrophobicContact CD1-CE1 3.8Å; I82-Y94 HydrophobicContact CD1-CE2 4.33Å; I82-Y94 HydrophobicContact CD1-CG 3.47Å; I82-Y94 VanDerWaalsContact CD1-CG 3.47Å; I82-Y94 HydrophobicContact CG1-CD2 4.46Å; I82-Y94 HydrophobicContact CG1-CG 4.32Å; I82-Y94 HydrophobicContact CG2-CD2 3.57Å; I82-Y94 HydrophobicContact CG2-CE2 3.5Å; I82-Y94 HydrophobicContact CG2-CG 4.24Å; C90-Y94 PolarHBondContact O-N 3.23Å; V91-Y94 PolarHBondContact O-N 3.36Å; K92-Y94 VanDerWaalsContact C-N 3.31Å; K92-Y94 PolarHBondContact O-N 3.24Å; Y94-E96 PolarHBondContact O-N 3.45Å; Y94-L97 PolarHBondContact O-N 3.22Å; Y94-F98 HydrophobicContact CD2-CB 4.42Å; Y94-F98 AromaticContact CD2-CD2 3.66Å; Y94-F98 HydrophobicContact CD2-CD2 3.66Å; Y94-F98 HydrophobicContact CD2-CE2 4.45Å; Y94-F98 HydrophobicContact CD2-CG 4.49Å; Y94-F98 HydrophobicContact CE1-CB 4.38Å; Y94-F98 HydrophobicContact CE2-CB 4.13Å; Y94-F98 AromaticContact CE2-CD2 3.92Å; Y94-F98 HydrophobicContact CE2-CD2 3.92Å; Y94-F98 HydrophobicContact CE2-CG 4.4Å; Y94-F98 HydrophobicContact CG-CD2 4.23Å; Y94-F98 WeakPolarHBondContact O-CA 3.48Å; Y94-F98 VanDerWaalsContact O-CB 3.29Å; Y94-F98 WeakPolarHBondContact O-CB 3.49Å; Y94-F98 PolarHBondContact O-N 3.46Å; Y94-I111 HydrophobicContact CD1-CG2 3.64Å; Y94-I111 HydrophobicContact CE1-CG2 3.87Å
95	E	89.3	Confident	90.2	Very high	54 Å²	54	60.5 Å²	60.5	25%	0.252	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-42.5	178.9	-72.4	-179	165.7	0	0	112.1	V91 K92 A99 G110 I111	V91-E95 HydrophobicContact CG1-CG 4.31Å; V91-E95 WeakPolarHBondContact O-CG 3.32Å; V91-E95 PolarHBondContact O-N 2.98Å; K92-E95 PolarHBondContact O-N 2.97Å; E95-A99 HydrophobicContact CB-CB 4.4Å; E95-A99 WeakPolarHBondContact O-CB 3.29Å; E95-A99 PolarHBondContact O-N 3.49Å; E95-A99 VanDerWaalsContact O-N 3.16Å; E95-G110 WeakPolarHBondContact OE1-CA 3.36Å; E95-I111 HydrophobicContact CG-CG2 4.02Å; E95-I111 PolarHBondContact OE1-N 3.18Å
96	E	89.4	Confident	90.7	Very high	146 Å²	146	61.3 Å²	61.3	68%	0.682	31%	0.313	S	S	*	.	H	α-helix	trans	-65.5	-38.3	179.3	-74.8	170.4	178.4	0	0	113.5	K92 Y94	K92-E96 WeakPolarHBondContact O-CB 3.35Å; K92-E96 WeakPolarHBondContact O-CG 3.49Å; K92-E96 PolarHBondContact O-N 3.03Å; Y94-E96 PolarHBondContact O-N 3.45Å
97	L	89.8	Confident	91.2	Very high	78 Å²	78	61.1 Å²	61.1	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-89.8	-29.3	-174.4	-65	171.2	0	0	0	113.3	H71 C93 Y94	H71-L97 HydrophobicContact CB-CD1 4.01Å; C93-L97 VanDerWaalsContact O-CB 3.31Å; C93-L97 WeakPolarHBondContact O-CB 3.4Å; C93-L97 WeakPolarHBondContact O-CD1 3.37Å; C93-L97 WeakPolarHBondContact O-CG 3.38Å; C93-L97 PolarHBondContact O-N 2.79Å; Y94-L97 PolarHBondContact O-N 3.22Å
98	F	88.5	Confident	91.4	Very high	63 Å²	63	60.4 Å²	60.4	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-137	-8.6	-160.4	-54.7	-53.6	0	0	0	115.2	H89 Y94	H89-F98 AromaticContact CD2-CE2 3.91Å; H89-F98 AromaticContact NE2-CE2 3.8Å; Y94-F98 HydrophobicContact CD2-CB 4.42Å; Y94-F98 AromaticContact CD2-CD2 3.66Å; Y94-F98 HydrophobicContact CD2-CD2 3.66Å; Y94-F98 HydrophobicContact CD2-CE2 4.45Å; Y94-F98 HydrophobicContact CD2-CG 4.49Å; Y94-F98 HydrophobicContact CE1-CB 4.38Å; Y94-F98 HydrophobicContact CE2-CB 4.13Å; Y94-F98 AromaticContact CE2-CD2 3.92Å; Y94-F98 HydrophobicContact CE2-CD2 3.92Å; Y94-F98 HydrophobicContact CE2-CG 4.4Å; Y94-F98 HydrophobicContact CG-CD2 4.23Å; Y94-F98 WeakPolarHBondContact O-CA 3.48Å; Y94-F98 VanDerWaalsContact O-CB 3.29Å; Y94-F98 WeakPolarHBondContact O-CB 3.49Å; Y94-F98 PolarHBondContact O-N 3.46Å
99	A	87.7	Confident	91.4	Very high	22 Å²	22	60 Å²	60	18%	0.182	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-65.4	141.1	177.3	0	0	0	0	0	111	E95 A108 I109	E95-A99 HydrophobicContact CB-CB 4.4Å; E95-A99 WeakPolarHBondContact O-CB 3.29Å; E95-A99 PolarHBondContact O-N 3.49Å; E95-A99 VanDerWaalsContact O-N 3.16Å; A99-A108 HydrophobicContact CB-CB 3.83Å; A99-I109 WeakPolarHBondContact CB-O 3.38Å
100	N	90.9	Very high	91.3	Very high	46 Å²	46	60.1 Å²	60.1	25%	0.246	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.4	145.6	168.7	-69.1	-39.6	0	0	0	109.9	I109 D115 H122	N100-I109 HydrophobicContact CB-CD1 4.41Å; N100-I109 PolarHBondContact O-N 3.4Å; N100-D115 PolarHBondContact ND2-OD2 2.84Å; N100-H122 HydrophobicContact CB-CB 3.86Å; N100-H122 PolarHBondContact ND2-CE1 3.21Å; N100-H122 PolarHBondContact ND2-ND1 3.05Å
101	T	93.2	Very high	90.8	Very high	86 Å²	86	59.9 Å²	59.9	53%	0.528	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-92.7	130	177.6	-60.3	0	0	0	0	109.8	D103	T101-D103 PolarHBondContact O-N 2.83Å
102	C	94.4	Very high	90.3	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-66.8	127.6	177.2	177.9	0	0	0	0	111.4	E104 C105 H106 K107 I109 H122 H124 C127	C102-E104 VanDerWaalsContact C-N 3.29Å; C102-E104 PolarHBondContact O-N 3.41Å; C102-C105 VanDerWaalsContact SG-SG 3.65Å; C102-H106 WeakPolarHBondContact O-CA 3.49Å; C102-H106 PolarHBondContact O-N 3.22Å; C102-K107 WeakPolarHBondContact CB-O 3.37Å; C102-K107 PolarHBondContact N-O 3.02Å; C102-I109 HydrophobicContact CB-CD1 4.21Å; C102-I109 HydrophobicContact CB-CG1 3.97Å; C102-H122 CarbonylContact C-O 3.59Å; C102-H122 WeakPolarHBondContact CA-O 3.41Å; C102-H124 WeakPolarHBondContact CB-CE1 3.26Å; C102-H124 VanDerWaalsContact CB-ND1 3.28Å; C102-H124 WeakPolarHBondContact CB-ND1 3.2Å; C102-H124 PolarHBondContact SG-ND1 2.93Å; C102-C127 WeakPolarHBondContact SG-CB 3.37Å; C102-C127 VanDerWaalsContact SG-SG 3.67Å
103	D	93.7	Very high	89.9	Confident	57 Å²	57	59.1 Å²	59.1	31%	0.305	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.5	-176.1	-170.7	78.3	0	0	0	112.6	T101 H106 K121 H122 W123	T101-D103 PolarHBondContact O-N 2.83Å; D103-H106 PolarHBondContact O-CE1 2.92Å; D103-K121 IonicContact OD1-NZ 3.5Å; D103-K121 PolarHBondContact OD1-NZ 3.27Å; D103-K121 IonicContact OD2-NZ 3.63Å; D103-K121 PolarHBondContact OD2-NZ 3.41Å; D103-H122 PolarHBondContact N-O 2.98Å; D103-W123 HydrophobicContact CB-CD2 4.42Å; D103-W123 HydrophobicContact CB-CZ2 4.08Å
104	E	94.4	Very high	89.4	Confident	78 Å²	78	62.8 Å²	62.8	36%	0.364	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-44.6	176.8	-177.1	76.2	-177.9	0	0	113.1	C102 C127 K134	C102-E104 VanDerWaalsContact C-N 3.29Å; C102-E104 PolarHBondContact O-N 3.41Å; E104-C127 HydrophobicContact CB-CB 3.96Å; E104-C127 HydrophobicContact CG-CB 4.41Å; E104-K134 IonicContact OE1-NZ 2.6Å; E104-K134 PolarHBondContact OE1-NZ 2.85Å
105	C	95.4	Very high	89.2	Confident	45 Å²	45	63 Å²	63	30%	0.304	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-7.3	-173.2	79.9	0	0	0	0	114.7	C102 K107 H124	C102-C105 VanDerWaalsContact SG-SG 3.65Å; C105-K107 PolarHBondContact O-N 3.18Å; C105-K107 VanDerWaalsContact O-N 3.13Å; C105-H124 PolarHBondContact SG-CE1 3.03Å; C105-H124 PolarHBondContact SG-ND1 2.81Å; C105-H124 VanDerWaalsContact SG-ND1 3.39Å
106	H	95	Very high	89.2	Confident	145 Å²	145	60.6 Å²	60.6	67%	0.671	32%	0.322	S	S	*	.			trans	60.2	16.5	-179.7	-49	-52.3	0	0	0	115.4	C102 D103	C102-H106 WeakPolarHBondContact O-CA 3.49Å; C102-H106 PolarHBondContact O-N 3.22Å; D103-H106 PolarHBondContact O-CE1 2.92Å
107	K	94.3	Very high	89	Confident	148 Å²	148	54.6 Å²	54.6	64%	0.643	30%	0.295	S	S	*	.	S	Bend	trans	-95.2	152.9	173.1	-59.6	178	-177.5	178.6	0	110.6	C102 C105	C102-K107 WeakPolarHBondContact CB-O 3.37Å; C102-K107 PolarHBondContact N-O 3.02Å; C105-K107 PolarHBondContact O-N 3.18Å; C105-K107 VanDerWaalsContact O-N 3.13Å
108	A	91.8	Very high	88.7	Confident	52 Å²	52	52.6 Å²	52.6	43%	0.43	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-55.8	138.5	170.4	0	0	0	0	0	111.4	A99 G110 H124	A99-A108 HydrophobicContact CB-CB 3.83Å; A108-G110 PolarHBondContact O-N 2.92Å; A108-H124 PolarHBondContact O-NE2 3.32Å
109	I	90	Very high	88.5	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.051	30%	0.299	C	S	.	.			trans	-88	100.8	171.5	-59.2	168.1	0	0	0	107.1	A99 N100 C102 D115 H122 H124	A99-I109 WeakPolarHBondContact CB-O 3.38Å; N100-I109 HydrophobicContact CB-CD1 4.41Å; N100-I109 PolarHBondContact O-N 3.4Å; C102-I109 HydrophobicContact CB-CD1 4.21Å; C102-I109 HydrophobicContact CB-CG1 3.97Å; I109-D115 HydrophobicContact CG2-CB 4.07Å; I109-H122 HydrophobicContact CD1-CB 3.57Å; I109-H124 WeakPolarHBondContact CA-NE2 3.33Å
110	G	86.1	Confident	88.4	Confident	14 Å²	14	63.8 Å²	63.8	14%	0.144	33%	0.329	C	S	.	.			trans	-64.3	162.1	-178.8	0	0	0	0	0	112.5	E95 A108 D112 S113	E95-G110 WeakPolarHBondContact OE1-CA 3.36Å; A108-G110 PolarHBondContact O-N 2.92Å; G110-D112 PolarHBondContact O-N 2.98Å; G110-D112 VanDerWaalsContact O-N 3.15Å; G110-S113 WeakPolarHBondContact O-CB 3.38Å; G110-S113 PolarHBondContact O-N 2.83Å
111	I	79.7	Confident	88.4	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.082	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.5	-173.7	61.4	157.3	0	0	0	112.9	L22 L54 I82 V91 Y94 E95 S113	L22-I111 HydrophobicContact CD1-CB 4.17Å; L22-I111 WeakPolarHBondContact CD1-O 3.2Å; L54-I111 HydrophobicContact CD1-CD1 3.52Å; L54-I111 HydrophobicContact CD2-CD1 3.88Å; L54-I111 HydrophobicContact CG-CD1 4.36Å; I82-I111 HydrophobicContact CD1-CB 4.19Å; I82-I111 HydrophobicContact CD1-CD1 4.07Å; I82-I111 HydrophobicContact CD1-CG2 3.37Å; V91-I111 HydrophobicContact CB-CD1 4.04Å; V91-I111 HydrophobicContact CG1-CD1 3.39Å; V91-I111 HydrophobicContact CG1-CG1 3.67Å; V91-I111 HydrophobicContact CG2-CD1 3.51Å; Y94-I111 HydrophobicContact CD1-CG2 3.64Å; Y94-I111 HydrophobicContact CE1-CG2 3.87Å; E95-I111 HydrophobicContact CG-CG2 4.02Å; E95-I111 PolarHBondContact OE1-N 3.18Å; I111-S113 VanDerWaalsContact C-N 3.35Å
112	D	79.8	Confident	88.3	Confident	111 Å²	111	61 Å²	61	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.6	178	-73.3	-38.6	0	0	0	112.6	R80 G110	R80-D112 IonicContact CZ-OD1 3.81Å; R80-D112 IonicContact CZ-OD2 3.93Å; R80-D112 IonicContact NH1-OD1 3.45Å; R80-D112 PolarHBondContact NH1-OD1 2.7Å; R80-D112 IonicContact NH1-OD2 2.81Å; R80-D112 PolarHBondContact NH1-OD2 2.77Å; R80-D112 IonicContact NH2-OD1 2.86Å; R80-D112 PolarHBondContact NH2-OD1 3.38Å; R80-D112 IonicContact NH2-OD2 2.74Å; R80-D112 PolarHBondContact NH2-OD2 2.8Å; G110-D112 PolarHBondContact O-N 2.98Å; G110-D112 VanDerWaalsContact O-N 3.15Å
113	S	82.2	Confident	88.2	Confident	55 Å²	55	61.2 Å²	61.2	39%	0.385	31%	0.309	S	S	.	.	S	Bend	trans	-99.8	144.5	178.3	-62.7	0	0	0	0	111	G110 I111 D115	G110-S113 WeakPolarHBondContact O-CB 3.38Å; G110-S113 PolarHBondContact O-N 2.83Å; I111-S113 VanDerWaalsContact C-N 3.35Å; S113-D115 PolarHBondContact O-N 3.42Å
114	K	81.9	Confident	88.2	Confident	83 Å²	83	59.9 Å²	59.9	36%	0.361	30%	0.301	S	S	.	.			trans	-66.2	123.5	166.8	-63.7	-174.6	-161	154.6	0	109.2	T19 L116 E125	T19-K114 HydrophobicContact CG2-CB 4.34Å; T19-K114 HydrophobicContact CG2-CD 4Å; T19-K114 HydrophobicContact CG2-CG 4.37Å; K114-L116 PolarHBondContact O-N 3.05Å; K114-E125 VanDerWaalsContact CD-OE2 3.26Å; K114-E125 WeakPolarHBondContact CD-OE2 3.09Å; K114-E125 WeakPolarHBondContact CE-OE2 3.42Å; K114-E125 IonicContact NZ-OE1 2.75Å; K114-E125 PolarHBondContact NZ-OE1 2.97Å; K114-E125 IonicContact NZ-OE2 3.57Å; K114-E125 PolarHBondContact NZ-OE2 2.81Å
115	D	84.9	Confident	88	Confident	15 Å²	15	59.3 Å²	59.3	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.6	170.9	-177.3	-2.3	0	0	0	108.3	R20 N100 I109 S113 T117 H122	R20-D115 HydrophobicContact CB-CB 4.33Å; R20-D115 PolarHBondContact N-O 2.81Å; R20-D115 VanDerWaalsContact N-O 3.13Å; N100-D115 PolarHBondContact ND2-OD2 2.84Å; I109-D115 HydrophobicContact CG2-CB 4.07Å; S113-D115 PolarHBondContact O-N 3.42Å; D115-T117 PolarHBondContact OD1-OG1 3.35Å; D115-H122 IonicContact OD1-CE1 2.93Å; D115-H122 IonicContact OD1-CG 3.21Å; D115-H122 IonicContact OD1-ND1 3.83Å; D115-H122 PolarHBondContact OD1-ND1 3.24Å; D115-H122 IonicContact OD2-CE1 3.49Å; D115-H122 IonicContact OD2-ND1 2.62Å; D115-H122 PolarHBondContact OD2-ND1 2.86Å
116	L	89.9	Confident	87.9	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.8	174.8	-67.2	-179.2	0	0	0	108.5	T19 K114 H122 W123 E125 F128 V138	T19-L116 HydrophobicContact CG2-CD2 4.25Å; K114-L116 PolarHBondContact O-N 3.05Å; L116-H122 CarbonylContact O-C 3.53Å; L116-H122 WeakPolarHBondContact O-CA 3.4Å; L116-W123 PolarHBondContact N-O 2.8Å; L116-W123 VanDerWaalsContact N-O 3.09Å; L116-W123 PolarHBondContact O-N 3.27Å; L116-E125 HydrophobicContact CD1-CB 4.44Å; L116-F128 HydrophobicContact CB-CG 4.49Å; L116-F128 HydrophobicContact CD1-CB 3.52Å; L116-F128 HydrophobicContact CD1-CD1 3.92Å; L116-F128 HydrophobicContact CD1-CG 3.79Å; L116-V138 HydrophobicContact CD1-CG2 3.68Å
117	T	85.6	Confident	87.9	Confident	20 Å²	20	57.9 Å²	57.9	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.4	-173.3	-50.5	0	0	0	0	111.1	C17 Q18 D115 K119 K121 H122	C17-T117 PolarHBondContact SG-O 3.3Å; Q18-T117 PolarHBondContact N-O 3.02Å; Q18-T117 PolarHBondContact O-N 3.39Å; D115-T117 PolarHBondContact OD1-OG1 3.35Å; T117-K119 WeakPolarHBondContact CG2-O 3.21Å; T117-K121 WeakPolarHBondContact CA-O 3.44Å; T117-H122 PolarHBondContact OG1-CE1 3.04Å; T117-H122 PolarHBondContact OG1-ND1 3.29Å
118	Y	83.5	Confident	87.9	Confident	35 Å²	35	50.9 Å²	50.9	14%	0.137	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	120.1	167.4	171.7	-102.6	0	0	0	109.3	Q15 E120 K121 F142 C144	Q15-Y118 HydrophobicContact CB-CD2 4.45Å; Q15-Y118 HydrophobicContact CB-CE2 3.96Å; Q15-Y118 HydrophobicContact CG-CE2 3.87Å; Q15-Y118 PolarHBondContact NE2-OH 3.41Å; Q15-Y118 PolarHBondContact OE1-OH 3.49Å; Y118-E120 PolarHBondContact O-N 3.25Å; Y118-K121 PolarHBondContact N-O 2.97Å; Y118-K121 PolarHBondContact O-N 2.95Å; Y118-F142 HydrophobicContact CD1-CE2 4.03Å; Y118-F142 HydrophobicContact CD1-CZ 4.18Å; Y118-F142 HydrophobicContact CD2-CE2 4.26Å; Y118-F142 AromaticContact CD2-CZ 3.71Å; Y118-F142 HydrophobicContact CD2-CZ 3.71Å; Y118-F142 HydrophobicContact CE1-CE2 4.37Å; Y118-F142 HydrophobicContact CE2-CZ 4.31Å; Y118-F142 AromaticContact CG-CE2 3.99Å; Y118-F142 HydrophobicContact CG-CE2 3.99Å; Y118-F142 AromaticContact CG-CZ 3.66Å; Y118-F142 HydrophobicContact CG-CZ 3.66Å; Y118-C144 HydrophobicContact CE1-CB 3.9Å
119	K	83.9	Confident	88.1	Confident	145 Å²	145	50.4 Å²	50.4	63%	0.63	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-131.6	-165.6	-62	176	168.4	171.6	0	109.8	T117 K121	T117-K119 WeakPolarHBondContact CG2-O 3.21Å; K119-K121 VanDerWaalsContact C-N 3.3Å
120	E	86	Confident	88.4	Confident	176 Å²	176	49.9 Å²	49.9	82%	0.822	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	15.8	180	-54.5	-55.5	138.7	0	0	112.9	Y118	Y118-E120 PolarHBondContact O-N 3.25Å
121	K	90.4	Very high	88.8	Confident	45 Å²	45	50.8 Å²	50.8	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.5	-176.6	-69.7	-179.3	165.2	-123	0	111.2	D103 T117 Y118 K119 W123 D147	D103-K121 IonicContact OD1-NZ 3.5Å; D103-K121 PolarHBondContact OD1-NZ 3.27Å; D103-K121 IonicContact OD2-NZ 3.63Å; D103-K121 PolarHBondContact OD2-NZ 3.41Å; T117-K121 WeakPolarHBondContact CA-O 3.44Å; Y118-K121 PolarHBondContact N-O 2.97Å; Y118-K121 PolarHBondContact O-N 2.95Å; K119-K121 VanDerWaalsContact C-N 3.3Å; K121-W123 HydrophobicContact CB-CE3 4.35Å; K121-W123 HydrophobicContact CB-CH2 3.18Å; K121-W123 HydrophobicContact CB-CZ2 3.82Å; K121-W123 HydrophobicContact CB-CZ3 3.48Å; K121-W123 VanDerWaalsContact CB-CZ3 3.48Å; K121-W123 HydrophobicContact CD-CH2 3.76Å; K121-W123 HydrophobicContact CD-CZ2 3.91Å; K121-W123 HydrophobicContact CG-CH2 4.13Å; K121-W123 VanDerWaalsContact O-CZ3 3.29Å; K121-W123 WeakPolarHBondContact O-CZ3 2.96Å; K121-D147 PolarHBondContact NZ-O 2.94Å
122	H	90.9	Very high	89.6	Confident	29 Å²	29	55.1 Å²	55.1	13%	0.134	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.4	-173.1	-62.9	-90.9	0	0	0	110.9	N100 C102 D103 I109 D115 L116 T117	N100-H122 HydrophobicContact CB-CB 3.86Å; N100-H122 PolarHBondContact ND2-CE1 3.21Å; N100-H122 PolarHBondContact ND2-ND1 3.05Å; C102-H122 CarbonylContact C-O 3.59Å; C102-H122 WeakPolarHBondContact CA-O 3.41Å; D103-H122 PolarHBondContact N-O 2.98Å; I109-H122 HydrophobicContact CD1-CB 3.57Å; D115-H122 IonicContact OD1-CE1 2.93Å; D115-H122 IonicContact OD1-CG 3.21Å; D115-H122 IonicContact OD1-ND1 3.83Å; D115-H122 PolarHBondContact OD1-ND1 3.24Å; D115-H122 IonicContact OD2-CE1 3.49Å; D115-H122 IonicContact OD2-ND1 2.62Å; D115-H122 PolarHBondContact OD2-ND1 2.86Å; L116-H122 CarbonylContact O-C 3.53Å; L116-H122 WeakPolarHBondContact O-CA 3.4Å; T117-H122 PolarHBondContact OG1-CE1 3.04Å; T117-H122 PolarHBondContact OG1-ND1 3.29Å
123	W	93.5	Very high	90.5	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.3	176.6	-63.6	-96.8	0	0	0	110.8	D103 L116 K121 C127 F128 I149	D103-W123 HydrophobicContact CB-CD2 4.42Å; D103-W123 HydrophobicContact CB-CZ2 4.08Å; L116-W123 PolarHBondContact N-O 2.8Å; L116-W123 VanDerWaalsContact N-O 3.09Å; L116-W123 PolarHBondContact O-N 3.27Å; K121-W123 HydrophobicContact CB-CE3 4.35Å; K121-W123 HydrophobicContact CB-CH2 3.18Å; K121-W123 HydrophobicContact CB-CZ2 3.82Å; K121-W123 HydrophobicContact CB-CZ3 3.48Å; K121-W123 VanDerWaalsContact CB-CZ3 3.48Å; K121-W123 HydrophobicContact CD-CH2 3.76Å; K121-W123 HydrophobicContact CD-CZ2 3.91Å; K121-W123 HydrophobicContact CG-CH2 4.13Å; K121-W123 VanDerWaalsContact O-CZ3 3.29Å; K121-W123 WeakPolarHBondContact O-CZ3 2.96Å; W123-C127 HydrophobicContact CB-CB 4.39Å; W123-F128 HydrophobicContact CB-CB 4.03Å; W123-F128 HydrophobicContact CB-CD2 3.9Å; W123-F128 HydrophobicContact CB-CG 4.44Å; W123-F128 AromaticContact CD2-CD2 3.68Å; W123-F128 HydrophobicContact CD2-CD2 3.68Å; W123-F128 HydrophobicContact CD2-CE2 4.05Å; W123-F128 AromaticContact CE3-CD2 3.79Å; W123-F128 HydrophobicContact CE3-CD2 3.79Å; W123-F128 AromaticContact CE3-CE2 3.8Å; W123-F128 HydrophobicContact CE3-CE2 3.8Å; W123-F128 AromaticContact CG-CD2 3.75Å; W123-F128 HydrophobicContact CG-CD2 3.75Å; W123-F128 HydrophobicContact CZ3-CE2 4.1Å; W123-I149 HydrophobicContact CH2-CG2 4.33Å; W123-I149 HydrophobicContact CZ2-CD1 4.22Å; W123-I149 HydrophobicContact CZ2-CG2 4.16Å
124	H	92.2	Very high	91.2	Very high	30 Å²	30	55.2 Å²	55.2	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	152.8	158.2	-56	101.9	0	0	0	109.7	C102 C105 A108 I109 N126 C127 F128	C102-H124 WeakPolarHBondContact CB-CE1 3.26Å; C102-H124 VanDerWaalsContact CB-ND1 3.28Å; C102-H124 WeakPolarHBondContact CB-ND1 3.2Å; C102-H124 PolarHBondContact SG-ND1 2.93Å; C105-H124 PolarHBondContact SG-CE1 3.03Å; C105-H124 PolarHBondContact SG-ND1 2.81Å; C105-H124 VanDerWaalsContact SG-ND1 3.39Å; A108-H124 PolarHBondContact O-NE2 3.32Å; I109-H124 WeakPolarHBondContact CA-NE2 3.33Å; H124-N126 PolarHBondContact O-N 3.03Å; H124-C127 HydrophobicContact CB-CB 3.96Å; H124-C127 CarbonylContact O-C 3.59Å; H124-C127 WeakPolarHBondContact O-CA 3.49Å; H124-C127 WeakPolarHBondContact O-CB 3.2Å; H124-C127 PolarHBondContact O-N 3.04Å; H124-F128 PolarHBondContact O-N 2.6Å
125	E	90.9	Very high	91.8	Very high	66 Å²	66	55.4 Å²	55.4	31%	0.308	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-50.2	-43.7	173.5	-168.5	168.1	-171.1	0	0	112.8	K114 L116 C127 V138	K114-E125 VanDerWaalsContact CD-OE2 3.26Å; K114-E125 WeakPolarHBondContact CD-OE2 3.09Å; K114-E125 WeakPolarHBondContact CE-OE2 3.42Å; K114-E125 IonicContact NZ-OE1 2.75Å; K114-E125 PolarHBondContact NZ-OE1 2.97Å; K114-E125 IonicContact NZ-OE2 3.57Å; K114-E125 PolarHBondContact NZ-OE2 2.81Å; L116-E125 HydrophobicContact CD1-CB 4.44Å; E125-C127 VanDerWaalsContact C-N 3.29Å; E125-C127 PolarHBondContact O-N 3.04Å; E125-V138 HydrophobicContact CG-CG2 3.99Å
126	N	93.6	Very high	92.3	Very high	141 Å²	141	57 Å²	57	75%	0.754	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-77.5	-11	178.1	-65.7	-24.4	0	0	0	114.3	H124 L129	H124-N126 PolarHBondContact O-N 3.03Å; N126-L129 WeakPolarHBondContact O-CD1 3.16Å; N126-L129 WeakPolarHBondContact O-CG 3.23Å
127	C	95.1	Very high	92.4	Very high	19 Å²	19	56.8 Å²	56.8	13%	0.128	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-98.9	-13.8	178.3	-73.4	0	0	0	0	112.6	C102 E104 W123 H124 E125 L129	C102-C127 WeakPolarHBondContact SG-CB 3.37Å; C102-C127 VanDerWaalsContact SG-SG 3.67Å; E104-C127 HydrophobicContact CB-CB 3.96Å; E104-C127 HydrophobicContact CG-CB 4.41Å; W123-C127 HydrophobicContact CB-CB 4.39Å; H124-C127 HydrophobicContact CB-CB 3.96Å; H124-C127 CarbonylContact O-C 3.59Å; H124-C127 WeakPolarHBondContact O-CA 3.49Å; H124-C127 WeakPolarHBondContact O-CB 3.2Å; H124-C127 PolarHBondContact O-N 3.04Å; E125-C127 VanDerWaalsContact C-N 3.29Å; E125-C127 PolarHBondContact O-N 3.04Å; C127-L129 PolarHBondContact O-N 2.88Å
128	F	94.3	Very high	92.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.			trans	-80.8	68.6	179.8	-162.1	-113.9	0	0	0	111.2	C17 L116 W123 H124 L137 V138 F142 I149	C17-F128 HydrophobicContact CB-CE1 3.82Å; C17-F128 HydrophobicContact CB-CZ 3.85Å; L116-F128 HydrophobicContact CB-CG 4.49Å; L116-F128 HydrophobicContact CD1-CB 3.52Å; L116-F128 HydrophobicContact CD1-CD1 3.92Å; L116-F128 HydrophobicContact CD1-CG 3.79Å; W123-F128 HydrophobicContact CB-CB 4.03Å; W123-F128 HydrophobicContact CB-CD2 3.9Å; W123-F128 HydrophobicContact CB-CG 4.44Å; W123-F128 AromaticContact CD2-CD2 3.68Å; W123-F128 HydrophobicContact CD2-CD2 3.68Å; W123-F128 HydrophobicContact CD2-CE2 4.05Å; W123-F128 AromaticContact CE3-CD2 3.79Å; W123-F128 HydrophobicContact CE3-CD2 3.79Å; W123-F128 AromaticContact CE3-CE2 3.8Å; W123-F128 HydrophobicContact CE3-CE2 3.8Å; W123-F128 AromaticContact CG-CD2 3.75Å; W123-F128 HydrophobicContact CG-CD2 3.75Å; W123-F128 HydrophobicContact CZ3-CE2 4.1Å; H124-F128 PolarHBondContact O-N 2.6Å; F128-L137 HydrophobicContact CD1-CB 3.56Å; F128-L137 HydrophobicContact CE1-CB 3.47Å; F128-L137 VanDerWaalsContact CE1-CB 3.47Å; F128-L137 HydrophobicContact CG-CB 4.44Å; F128-L137 HydrophobicContact CZ-CB 4.32Å; F128-L137 PolarHBondContact O-N 2.86Å; F128-V138 HydrophobicContact CB-CG2 4.49Å; F128-V138 HydrophobicContact CD1-CG2 4.32Å; F128-F142 HydrophobicContact CE1-CD1 4.23Å; F128-F142 HydrophobicContact CE1-CE1 4.3Å; F128-F142 AromaticContact CZ-CD1 3.91Å; F128-F142 HydrophobicContact CZ-CD1 3.91Å; F128-F142 HydrophobicContact CZ-CD2 4.48Å; F128-F142 AromaticContact CZ-CE1 3.7Å; F128-F142 HydrophobicContact CZ-CE1 3.7Å; F128-F142 HydrophobicContact CZ-CE2 4.29Å; F128-F142 HydrophobicContact CZ-CG 4.31Å; F128-F142 AromaticContact CZ-CZ 3.9Å; F128-F142 HydrophobicContact CZ-CZ 3.9Å; F128-I149 HydrophobicContact CD2-CD1 3.47Å; F128-I149 VanDerWaalsContact CD2-CD1 3.47Å; F128-I149 HydrophobicContact CE2-CD1 3.46Å; F128-I149 VanDerWaalsContact CE2-CD1 3.46Å; F128-I149 HydrophobicContact CG-CD1 4.25Å; F128-I149 HydrophobicContact CZ-CD1 4.24Å
129	L	95.9	Very high	92.6	Very high	42 Å²	42	62 Å²	62	22%	0.22	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-116.8	149.9	-172.7	-53.2	-178.7	0	0	0	111.2	N126 C127 S131 I135	N126-L129 WeakPolarHBondContact O-CD1 3.16Å; N126-L129 WeakPolarHBondContact O-CG 3.23Å; C127-L129 PolarHBondContact O-N 2.88Å; L129-S131 PolarHBondContact O-N 3.34Å; L129-I135 CarbonylContact C-O 3.58Å; L129-I135 WeakPolarHBondContact CA-O 3.18Å
130	C	96.2	Very high	92.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.31	C	S	.	.			trans	-58.7	128	171.6	176	0	0	0	0	111	M132 C133 K134 I135 L137 C151	C130-M132 PolarHBondContact O-N 3.03Å; C130-M132 PolarHBondContact SG-N 3.29Å; C130-M132 VanDerWaalsContact SG-N 3.4Å; C130-C133 VanDerWaalsContact CB-SG 3.56Å; C130-K134 WeakPolarHBondContact O-CA 3.46Å; C130-K134 PolarHBondContact O-N 3.46Å; C130-I135 HydrophobicContact CB-CG2 4.03Å; C130-I135 PolarHBondContact N-O 3.19Å; C130-L137 HydrophobicContact CB-CD1 4.5Å; C130-L137 HydrophobicContact CB-CD2 4.07Å; C130-L137 HydrophobicContact CB-CG 4.42Å; C130-C151 HydrophobicContact CB-CB 4.18Å; C130-C151 PolarHBondContact SG-N 3.08Å
131	S	95.7	Very high	92.7	Very high	33 Å²	33	55.4 Å²	55.4	23%	0.231	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.5	179.3	-56.9	0	0	0	0	114.4	L129 I149	L129-S131 PolarHBondContact O-N 3.34Å; S131-I149 WeakPolarHBondContact CB-O 3.28Å; S131-I149 PolarHBondContact N-O 2.85Å; S131-I149 PolarHBondContact OG-O 2.89Å
132	M	95.8	Very high	92.6	Very high	106 Å²	106	53.2 Å²	53.2	52%	0.522	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-60.7	178.1	-67.8	178	82.5	0	0	113.1	C130 F150 C154 A158	C130-M132 PolarHBondContact O-N 3.03Å; C130-M132 PolarHBondContact SG-N 3.29Å; C130-M132 VanDerWaalsContact SG-N 3.4Å; M132-F150 HydrophobicContact CG-CD1 3.7Å; M132-F150 HydrophobicContact CG-CE1 3.66Å; M132-F150 HydrophobicContact SD-CD1 3.74Å; M132-F150 HydrophobicContact SD-CE1 3.84Å; M132-C154 HydrophobicContact CB-CB 4.05Å; M132-C154 HydrophobicContact CG-CB 4.44Å; M132-C154 HydrophobicContact SD-CB 3.86Å; M132-A158 HydrophobicContact CE-CB 4.47Å; M132-A158 HydrophobicContact SD-CB 4.12Å
133	C	97.4	Very high	92.5	Very high	64 Å²	64	51.9 Å²	51.9	43%	0.432	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-4.7	-174.7	65	0	0	0	0	114.3	C130 I135 C151 C154	C130-C133 VanDerWaalsContact CB-SG 3.56Å; C133-I135 PolarHBondContact O-N 3.18Å; C133-I135 WeakPolarHBondContact SG-CG2 3.26Å; C133-C151 VanDerWaalsContact SG-SG 3.65Å; C133-C154 VanDerWaalsContact SG-SG 3.67Å
134	K	96.9	Very high	92.3	Very high	104 Å²	104	53 Å²	53	45%	0.452	29%	0.285	S	S	.	.			trans	58.1	15.8	-180	-59.2	-68.2	-180	178.9	0	115.4	E104 C130	E104-K134 IonicContact OE1-NZ 2.6Å; E104-K134 PolarHBondContact OE1-NZ 2.85Å; C130-K134 WeakPolarHBondContact O-CA 3.46Å; C130-K134 PolarHBondContact O-N 3.46Å
135	I	96.1	Very high	92.1	Very high	87 Å²	87	55.9 Å²	55.9	45%	0.446	30%	0.297	S	S	.	.			trans	-67.6	144.6	169.8	-159.2	170	0	0	0	110.6	L129 C130 C133 L137 C151	L129-I135 CarbonylContact C-O 3.58Å; L129-I135 WeakPolarHBondContact CA-O 3.18Å; C130-I135 HydrophobicContact CB-CG2 4.03Å; C130-I135 PolarHBondContact N-O 3.19Å; C133-I135 PolarHBondContact O-N 3.18Å; C133-I135 WeakPolarHBondContact SG-CG2 3.26Å; I135-L137 HydrophobicContact CG2-CD2 4.36Å; I135-L137 PolarHBondContact O-N 3.45Å; I135-C151 HydrophobicContact CG2-CB 4.01Å
136	S	95	Very high	92.1	Very high	48 Å²	48	59 Å²	59	34%	0.336	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-60.7	134	172	174.7	0	0	0	0	111.3	V138 K140	S136-V138 WeakPolarHBondContact OG-CG2 3.24Å; S136-V138 PolarHBondContact OG-N 3.47Å; S136-K140 WeakPolarHBondContact O-CD 3.27Å; S136-K140 WeakPolarHBondContact O-CE 3.42Å
137	L	92.5	Very high	91.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.			trans	-100.8	2.2	177.8	-59.3	-179.9	0	0	0	112.7	F128 C130 I135 D139 K140 F142 I149 C151	F128-L137 HydrophobicContact CD1-CB 3.56Å; F128-L137 HydrophobicContact CE1-CB 3.47Å; F128-L137 VanDerWaalsContact CE1-CB 3.47Å; F128-L137 HydrophobicContact CG-CB 4.44Å; F128-L137 HydrophobicContact CZ-CB 4.32Å; F128-L137 PolarHBondContact O-N 2.86Å; C130-L137 HydrophobicContact CB-CD1 4.5Å; C130-L137 HydrophobicContact CB-CD2 4.07Å; C130-L137 HydrophobicContact CB-CG 4.42Å; I135-L137 HydrophobicContact CG2-CD2 4.36Å; I135-L137 PolarHBondContact O-N 3.45Å; L137-D139 PolarHBondContact O-N 3.41Å; L137-K140 PolarHBondContact O-N 2.79Å; L137-K140 VanDerWaalsContact O-N 3.08Å; L137-F142 HydrophobicContact CD1-CB 3.91Å; L137-F142 HydrophobicContact CD1-CG 4.48Å; L137-F142 HydrophobicContact CD2-CB 4.36Å; L137-I149 HydrophobicContact CD1-CB 3.97Å; L137-I149 HydrophobicContact CD1-CD1 3.91Å; L137-I149 HydrophobicContact CD1-CG1 3.86Å; L137-C151 HydrophobicContact CD2-CB 3.57Å
138	V	88.6	Confident	91.6	Very high	20 Å²	20	64.5 Å²	64.5	12%	0.121	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	129.8	177.8	-175	0	0	0	0	109.1	L116 E125 F128 S136 K140	L116-V138 HydrophobicContact CD1-CG2 3.68Å; E125-V138 HydrophobicContact CG-CG2 3.99Å; F128-V138 HydrophobicContact CB-CG2 4.49Å; F128-V138 HydrophobicContact CD1-CG2 4.32Å; S136-V138 WeakPolarHBondContact OG-CG2 3.24Å; S136-V138 PolarHBondContact OG-N 3.47Å; V138-K140 PolarHBondContact O-N 3.29Å; V138-K140 VanDerWaalsContact O-N 3.07Å
139	D	84.3	Confident	91.5	Very high	145 Å²	145	64.7 Å²	64.7	78%	0.775	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	19.9	-176.7	-52.8	-38.9	0	0	0	115.1	L137	L137-D139 PolarHBondContact O-N 3.41Å
140	K	86	Confident	91.4	Very high	110 Å²	110	63.3 Å²	63.3	48%	0.478	33%	0.325	S	S	.	.	S	Bend	trans	-118.8	144.3	178.2	-65.1	176.3	-161.7	-68.5	0	110.8	S136 L137 V138 F142	S136-K140 WeakPolarHBondContact O-CD 3.27Å; S136-K140 WeakPolarHBondContact O-CE 3.42Å; L137-K140 PolarHBondContact O-N 2.79Å; L137-K140 VanDerWaalsContact O-N 3.08Å; V138-K140 PolarHBondContact O-N 3.29Å; V138-K140 VanDerWaalsContact O-N 3.07Å; K140-F142 PolarHBondContact O-N 2.96Å
141	P	85	Confident	91.2	Very high	71 Å²	71	64.2 Å²	64.2	46%	0.461	33%	0.332	S	S	.	.			trans	-57.5	135.3	168.3	-23.1	33.4	0	0	0	111.1	I14	I14-P141 HydrophobicContact CG2-CB 4.41Å
142	F	88.8	Confident	90.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.4	176.7	69.2	-84.2	0	0	0	111.2	Q15 C17 Y118 F128 L137 K140 I149 F150	Q15-F142 HydrophobicContact CB-CD1 4.35Å; Q15-F142 HydrophobicContact CB-CD2 4.38Å; Q15-F142 HydrophobicContact CB-CE1 3.91Å; Q15-F142 HydrophobicContact CB-CE2 3.95Å; Q15-F142 HydrophobicContact CB-CZ 3.69Å; Q15-F142 PolarHBondContact N-O 2.85Å; Q15-F142 WeakPolarHBondContact O-CD1 3.11Å; C17-F142 HydrophobicContact CB-CE1 4.02Å; Y118-F142 HydrophobicContact CD1-CE2 4.03Å; Y118-F142 HydrophobicContact CD1-CZ 4.18Å; Y118-F142 HydrophobicContact CD2-CE2 4.26Å; Y118-F142 AromaticContact CD2-CZ 3.71Å; Y118-F142 HydrophobicContact CD2-CZ 3.71Å; Y118-F142 HydrophobicContact CE1-CE2 4.37Å; Y118-F142 HydrophobicContact CE2-CZ 4.31Å; Y118-F142 AromaticContact CG-CE2 3.99Å; Y118-F142 HydrophobicContact CG-CE2 3.99Å; Y118-F142 AromaticContact CG-CZ 3.66Å; Y118-F142 HydrophobicContact CG-CZ 3.66Å; F128-F142 HydrophobicContact CE1-CD1 4.23Å; F128-F142 HydrophobicContact CE1-CE1 4.3Å; F128-F142 AromaticContact CZ-CD1 3.91Å; F128-F142 HydrophobicContact CZ-CD1 3.91Å; F128-F142 HydrophobicContact CZ-CD2 4.48Å; F128-F142 AromaticContact CZ-CE1 3.7Å; F128-F142 HydrophobicContact CZ-CE1 3.7Å; F128-F142 HydrophobicContact CZ-CE2 4.29Å; F128-F142 HydrophobicContact CZ-CG 4.31Å; F128-F142 AromaticContact CZ-CZ 3.9Å; F128-F142 HydrophobicContact CZ-CZ 3.9Å; L137-F142 HydrophobicContact CD1-CB 3.91Å; L137-F142 HydrophobicContact CD1-CG 4.48Å; L137-F142 HydrophobicContact CD2-CB 4.36Å; K140-F142 PolarHBondContact O-N 2.96Å; F142-I149 HydrophobicContact CD2-CB 4.18Å; F142-I149 HydrophobicContact CD2-CG2 4Å; F142-I149 HydrophobicContact CE2-CG2 4.01Å; F142-F150 CarbonylContact C-O 3.52Å; F142-F150 VanDerWaalsContact CA-O 3.27Å; F142-F150 WeakPolarHBondContact CA-O 3.31Å; F142-F150 VanDerWaalsContact CB-O 3.29Å; F142-F150 WeakPolarHBondContact CB-O 3.34Å
143	G	88.7	Confident	90.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.7	172.1	0	0	0	0	0	111.3	M13 I149 F150	M13-G143 WeakPolarHBondContact SD-CA 3.48Å; G143-I149 CarbonylContact O-C 3.57Å; G143-I149 WeakPolarHBondContact O-CA 3.49Å; G143-F150 PolarHBondContact N-O 2.74Å; G143-F150 PolarHBondContact O-N 3.39Å
144	C	89.4	Confident	90.4	Very high	25 Å²	25	61.6 Å²	61.6	17%	0.169	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	175.2	-177.3	0	0	0	0	110.6	Q15 Y118 R148	Q15-C144 VanDerWaalsContact OE1-CB 3.26Å; Y118-C144 HydrophobicContact CE1-CB 3.9Å; C144-R148 VanDerWaalsContact CA-O 3.31Å; C144-R148 WeakPolarHBondContact CA-O 3.17Å
145	K	88.9	Confident	90.1	Very high	92 Å²	92	57.6 Å²	57.6	40%	0.4	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.3	175.8	-169.7	72.9	177.5	-173.7	0	110	D147 R148 F150 Y155 F159	K145-D147 PolarHBondContact O-N 3.1Å; K145-R148 PolarHBondContact N-O 2.86Å; K145-R148 PolarHBondContact O-N 3.32Å; K145-R148 VanDerWaalsContact O-N 3.09Å; K145-F150 HydrophobicContact CB-CE2 4.19Å; K145-Y155 HydrophobicContact CB-CE2 3.84Å; K145-F159 HydrophobicContact CB-CD2 4.42Å; K145-F159 HydrophobicContact CB-CE2 4.04Å; K145-F159 HydrophobicContact CB-CZ 4.18Å; K145-F159 HydrophobicContact CG-CD1 4.44Å; K145-F159 HydrophobicContact CG-CE1 4.21Å; K145-F159 HydrophobicContact CG-CE2 4.4Å; K145-F159 HydrophobicContact CG-CZ 4.19Å
146	N	89.1	Confident	89.8	Confident	132 Å²	132	55.8 Å²	55.8	71%	0.706	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	50	179.5	-55.1	-16	0	0	0	111.2	R148	N146-R148 PolarHBondContact O-N 3.37Å
147	D	87.7	Confident	89.5	Confident	112 Å²	112	58.5 Å²	58.5	60%	0.599	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	10.7	177.8	-62.7	-43.4	0	0	0	116.6	K121 K145	K121-D147 PolarHBondContact NZ-O 2.94Å; K145-D147 PolarHBondContact O-N 3.1Å
148	R	91.9	Very high	89.4	Confident	163 Å²	163	60.7 Å²	60.7	62%	0.615	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	148.5	175	-67.6	-178.8	-178.6	177.2	0.3	111.5	C144 K145 N146 F150	C144-R148 VanDerWaalsContact CA-O 3.31Å; C144-R148 WeakPolarHBondContact CA-O 3.17Å; K145-R148 PolarHBondContact N-O 2.86Å; K145-R148 PolarHBondContact O-N 3.32Å; K145-R148 VanDerWaalsContact O-N 3.09Å; N146-R148 PolarHBondContact O-N 3.37Å; R148-F150 HydrophobicContact CB-CE2 3.6Å; R148-F150 HydrophobicContact CB-CZ 3.72Å; R148-F150 WeakPolarHBondContact O-CE2 3.17Å
149	I	91.9	Very high	89.4	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.8	-178.5	58.8	-179.6	0	0	0	111.2	W123 F128 S131 L137 F142 G143	W123-I149 HydrophobicContact CH2-CG2 4.33Å; W123-I149 HydrophobicContact CZ2-CD1 4.22Å; W123-I149 HydrophobicContact CZ2-CG2 4.16Å; F128-I149 HydrophobicContact CD2-CD1 3.47Å; F128-I149 VanDerWaalsContact CD2-CD1 3.47Å; F128-I149 HydrophobicContact CE2-CD1 3.46Å; F128-I149 VanDerWaalsContact CE2-CD1 3.46Å; F128-I149 HydrophobicContact CG-CD1 4.25Å; F128-I149 HydrophobicContact CZ-CD1 4.24Å; S131-I149 WeakPolarHBondContact CB-O 3.28Å; S131-I149 PolarHBondContact N-O 2.85Å; S131-I149 PolarHBondContact OG-O 2.89Å; L137-I149 HydrophobicContact CD1-CB 3.97Å; L137-I149 HydrophobicContact CD1-CD1 3.91Å; L137-I149 HydrophobicContact CD1-CG1 3.86Å; F142-I149 HydrophobicContact CD2-CB 4.18Å; F142-I149 HydrophobicContact CD2-CG2 4Å; F142-I149 HydrophobicContact CE2-CG2 4.01Å; G143-I149 CarbonylContact O-C 3.57Å; G143-I149 WeakPolarHBondContact O-CA 3.49Å
150	F	93.1	Very high	89.6	Confident	13 Å²	13	57.9 Å²	57.9	6%	0.057	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.3	-175.4	-55.4	-95.9	0	0	0	110.1	M132 F142 G143 K145 R148 C154 Y155 F159	M132-F150 HydrophobicContact CG-CD1 3.7Å; M132-F150 HydrophobicContact CG-CE1 3.66Å; M132-F150 HydrophobicContact SD-CD1 3.74Å; M132-F150 HydrophobicContact SD-CE1 3.84Å; F142-F150 CarbonylContact C-O 3.52Å; F142-F150 VanDerWaalsContact CA-O 3.27Å; F142-F150 WeakPolarHBondContact CA-O 3.31Å; F142-F150 VanDerWaalsContact CB-O 3.29Å; F142-F150 WeakPolarHBondContact CB-O 3.34Å; G143-F150 PolarHBondContact N-O 2.74Å; G143-F150 PolarHBondContact O-N 3.39Å; K145-F150 HydrophobicContact CB-CE2 4.19Å; R148-F150 HydrophobicContact CB-CE2 3.6Å; R148-F150 HydrophobicContact CB-CZ 3.72Å; R148-F150 WeakPolarHBondContact O-CE2 3.17Å; F150-C154 HydrophobicContact CB-CB 4.39Å; F150-Y155 HydrophobicContact CB-CD2 4.23Å; F150-Y155 HydrophobicContact CD2-CD2 4.13Å; F150-Y155 HydrophobicContact CG-CD2 4.47Å; F150-F159 HydrophobicContact CD1-CE2 4.35Å; F150-F159 AromaticContact CD2-CE2 3.93Å; F150-F159 HydrophobicContact CD2-CE2 3.93Å; F150-F159 HydrophobicContact CE1-CE2 4.17Å; F150-F159 HydrophobicContact CE1-CZ 4.27Å; F150-F159 AromaticContact CE2-CE2 3.74Å; F150-F159 HydrophobicContact CE2-CE2 3.74Å; F150-F159 HydrophobicContact CE2-CZ 4.02Å; F150-F159 HydrophobicContact CG-CE2 4.24Å; F150-F159 AromaticContact CZ-CE2 3.87Å; F150-F159 HydrophobicContact CZ-CE2 3.87Å; F150-F159 AromaticContact CZ-CZ 3.82Å; F150-F159 HydrophobicContact CZ-CZ 3.82Å
151	C	92.2	Very high	89.8	Confident	20 Å²	20	56 Å²	56	14%	0.135	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	153.9	166.3	72.4	0	0	0	0	109.2	C130 C133 I135 L137 N153 C154 Y155	C130-C151 HydrophobicContact CB-CB 4.18Å; C130-C151 PolarHBondContact SG-N 3.08Å; C133-C151 VanDerWaalsContact SG-SG 3.65Å; I135-C151 HydrophobicContact CG2-CB 4.01Å; L137-C151 HydrophobicContact CD2-CB 3.57Å; C151-N153 PolarHBondContact O-N 3.49Å; C151-N153 VanDerWaalsContact O-N 3.12Å; C151-C154 PolarHBondContact O-N 3.49Å; C151-C154 PolarHBondContact SG-N 3.29Å; C151-C154 VanDerWaalsContact SG-N 3.43Å; C151-Y155 PolarHBondContact O-N 3.07Å
152	A	87.9	Confident	90.2	Very high	46 Å²	46	58.1 Å²	58.1	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-47.9	-45.2	-177.5	0	0	0	0	0	113.2	Y155 D156	A152-Y155 PolarHBondContact O-N 3.49Å; A152-D156 WeakPolarHBondContact O-CB 3.37Å; A152-D156 PolarHBondContact O-N 3.27Å
153	N	90.5	Very high	90.5	Very high	93 Å²	93	58.3 Å²	58.3	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-46.2	179.3	177.9	69.8	0	0	0	113.3	C151 Y155 D156 Q157	C151-N153 PolarHBondContact O-N 3.49Å; C151-N153 VanDerWaalsContact O-N 3.12Å; N153-Y155 VanDerWaalsContact C-N 3.3Å; N153-Y155 PolarHBondContact O-N 2.86Å; N153-D156 PolarHBondContact O-N 3.42Å; N153-Q157 PolarHBondContact ND2-NE2 3.43Å; N153-Q157 WeakPolarHBondContact O-CB 3.46Å; N153-Q157 WeakPolarHBondContact O-CG 3.37Å; N153-Q157 PolarHBondContact O-N 3.44Å; N153-Q157 PolarHBondContact OD1-NE2 2.84Å; N153-Q157 VanDerWaalsContact OD1-NE2 3.11Å
154	C	93.7	Very high	90.8	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.054	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-35.7	177.4	-74	0	0	0	0	111.6	M132 C133 F150 C151 A158	M132-C154 HydrophobicContact CB-CB 4.05Å; M132-C154 HydrophobicContact CG-CB 4.44Å; M132-C154 HydrophobicContact SD-CB 3.86Å; C133-C154 VanDerWaalsContact SG-SG 3.67Å; F150-C154 HydrophobicContact CB-CB 4.39Å; C151-C154 PolarHBondContact O-N 3.49Å; C151-C154 PolarHBondContact SG-N 3.29Å; C151-C154 VanDerWaalsContact SG-N 3.43Å; C154-A158 VanDerWaalsContact O-CB 3.31Å; C154-A158 WeakPolarHBondContact O-CB 3.37Å; C154-A158 PolarHBondContact O-N 2.99Å; C154-A158 VanDerWaalsContact O-N 3.12Å
155	Y	91	Very high	91	Very high	20 Å²	20	63.6 Å²	63.6	8%	0.078	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-53.2	174.6	-169.5	-80.6	0	0	0	110.8	M13 K145 F150 C151 A152 N153 Q157 A158 F159	M13-Y155 HydrophobicContact CE-CD1 4.37Å; M13-Y155 HydrophobicContact CE-CD2 4.21Å; M13-Y155 HydrophobicContact CE-CE1 3.61Å; M13-Y155 HydrophobicContact CE-CE2 3.35Å; M13-Y155 WeakPolarHBondContact CE-OH 3.5Å; M13-Y155 HydrophobicContact CG-CD1 3.58Å; M13-Y155 HydrophobicContact CG-CE1 3.36Å; M13-Y155 HydrophobicContact CG-CG 4.3Å; M13-Y155 HydrophobicContact SD-CD1 3.34Å; M13-Y155 WeakPolarHBondContact SD-CD1 3.24Å; M13-Y155 HydrophobicContact SD-CD2 3.46Å; M13-Y155 WeakPolarHBondContact SD-CD2 3.12Å; M13-Y155 HydrophobicContact SD-CE1 3.15Å; M13-Y155 WeakPolarHBondContact SD-CE1 2.94Å; M13-Y155 HydrophobicContact SD-CE2 3.22Å; M13-Y155 WeakPolarHBondContact SD-CE2 3.35Å; M13-Y155 HydrophobicContact SD-CG 3.52Å; M13-Y155 VanDerWaalsContact SD-CG 3.52Å; K145-Y155 HydrophobicContact CB-CE2 3.84Å; F150-Y155 HydrophobicContact CB-CD2 4.23Å; F150-Y155 HydrophobicContact CD2-CD2 4.13Å; F150-Y155 HydrophobicContact CG-CD2 4.47Å; C151-Y155 PolarHBondContact O-N 3.07Å; A152-Y155 PolarHBondContact O-N 3.49Å; N153-Y155 VanDerWaalsContact C-N 3.3Å; N153-Y155 PolarHBondContact O-N 2.86Å; Y155-Q157 VanDerWaalsContact C-N 3.34Å; Y155-Q157 PolarHBondContact O-N 3.48Å; Y155-A158 PolarHBondContact O-N 3.21Å; Y155-F159 HydrophobicContact CD1-CB 4.36Å; Y155-F159 HydrophobicContact CD1-CD2 4.13Å; Y155-F159 AromaticContact CD2-CD2 3.62Å; Y155-F159 HydrophobicContact CD2-CD2 3.62Å; Y155-F159 HydrophobicContact CD2-CE2 4.01Å; Y155-F159 HydrophobicContact CE1-CB 3.83Å; Y155-F159 HydrophobicContact CE1-CD2 4.03Å; Y155-F159 HydrophobicContact CE1-CG 4.38Å; Y155-F159 AromaticContact CE2-CD2 3.57Å; Y155-F159 HydrophobicContact CE2-CD2 3.57Å; Y155-F159 HydrophobicContact CE2-CE2 4.08Å; Y155-F159 HydrophobicContact CE2-CG 4.42Å; Y155-F159 AromaticContact CG-CD2 3.89Å; Y155-F159 HydrophobicContact CG-CD2 3.89Å; Y155-F159 AromaticContact CZ-CD2 3.73Å; Y155-F159 WeakPolarHBondContact O-CB 3.09Å; Y155-F159 VanDerWaalsContact O-CD2 3.29Å; Y155-F159 WeakPolarHBondContact O-CD2 3.33Å; Y155-F159 PolarHBondContact O-N 3.29Å
156	D	89.4	Confident	91.3	Very high	50 Å²	50	62 Å²	62	27%	0.267	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-43.8	-179.3	-75.3	-11.3	0	0	0	111.6	A152 N153 A158 A160 I169	A152-D156 WeakPolarHBondContact O-CB 3.37Å; A152-D156 PolarHBondContact O-N 3.27Å; N153-D156 PolarHBondContact O-N 3.42Å; D156-A158 VanDerWaalsContact C-N 3.28Å; D156-A158 PolarHBondContact O-N 2.92Å; D156-A160 HydrophobicContact CB-CB 4.28Å; D156-A160 WeakPolarHBondContact O-CB 3.31Å; D156-A160 PolarHBondContact O-N 2.91Å; D156-I169 HydrophobicContact CB-CD1 3.67Å
157	Q	88.8	Confident	91.5	Very high	104 Å²	104	57.5 Å²	57.5	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-37.9	179.4	-75.4	179.5	9.2	0	0	112.8	N153 Y155 R162	N153-Q157 PolarHBondContact ND2-NE2 3.43Å; N153-Q157 WeakPolarHBondContact O-CB 3.46Å; N153-Q157 WeakPolarHBondContact O-CG 3.37Å; N153-Q157 PolarHBondContact O-N 3.44Å; N153-Q157 PolarHBondContact OD1-NE2 2.84Å; N153-Q157 VanDerWaalsContact OD1-NE2 3.11Å; Y155-Q157 VanDerWaalsContact C-N 3.34Å; Y155-Q157 PolarHBondContact O-N 3.48Å; Q157-R162 PolarHBondContact O-NH2 2.91Å
158	A	89.7	Confident	91.8	Very high	47 Å²	47	57.8 Å²	57.8	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-85.1	-33.2	-177	0	0	0	0	0	113.5	M132 C154 Y155 D156	M132-A158 HydrophobicContact CE-CB 4.47Å; M132-A158 HydrophobicContact SD-CB 4.12Å; C154-A158 VanDerWaalsContact O-CB 3.31Å; C154-A158 WeakPolarHBondContact O-CB 3.37Å; C154-A158 PolarHBondContact O-N 2.99Å; C154-A158 VanDerWaalsContact O-N 3.12Å; Y155-A158 PolarHBondContact O-N 3.21Å; D156-A158 VanDerWaalsContact C-N 3.28Å; D156-A158 PolarHBondContact O-N 2.92Å
159	F	89.5	Confident	91.8	Very high	81 Å²	81	51 Å²	51	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-130	-11.7	-164.3	-49.6	-60.9	0	0	0	115.5	K145 F150 Y155	K145-F159 HydrophobicContact CB-CD2 4.42Å; K145-F159 HydrophobicContact CB-CE2 4.04Å; K145-F159 HydrophobicContact CB-CZ 4.18Å; K145-F159 HydrophobicContact CG-CD1 4.44Å; K145-F159 HydrophobicContact CG-CE1 4.21Å; K145-F159 HydrophobicContact CG-CE2 4.4Å; K145-F159 HydrophobicContact CG-CZ 4.19Å; F150-F159 HydrophobicContact CD1-CE2 4.35Å; F150-F159 AromaticContact CD2-CE2 3.93Å; F150-F159 HydrophobicContact CD2-CE2 3.93Å; F150-F159 HydrophobicContact CE1-CE2 4.17Å; F150-F159 HydrophobicContact CE1-CZ 4.27Å; F150-F159 AromaticContact CE2-CE2 3.74Å; F150-F159 HydrophobicContact CE2-CE2 3.74Å; F150-F159 HydrophobicContact CE2-CZ 4.02Å; F150-F159 HydrophobicContact CG-CE2 4.24Å; F150-F159 AromaticContact CZ-CE2 3.87Å; F150-F159 HydrophobicContact CZ-CE2 3.87Å; F150-F159 AromaticContact CZ-CZ 3.82Å; F150-F159 HydrophobicContact CZ-CZ 3.82Å; Y155-F159 HydrophobicContact CD1-CB 4.36Å; Y155-F159 HydrophobicContact CD1-CD2 4.13Å; Y155-F159 AromaticContact CD2-CD2 3.62Å; Y155-F159 HydrophobicContact CD2-CD2 3.62Å; Y155-F159 HydrophobicContact CD2-CE2 4.01Å; Y155-F159 HydrophobicContact CE1-CB 3.83Å; Y155-F159 HydrophobicContact CE1-CD2 4.03Å; Y155-F159 HydrophobicContact CE1-CG 4.38Å; Y155-F159 AromaticContact CE2-CD2 3.57Å; Y155-F159 HydrophobicContact CE2-CD2 3.57Å; Y155-F159 HydrophobicContact CE2-CE2 4.08Å; Y155-F159 HydrophobicContact CE2-CG 4.42Å; Y155-F159 AromaticContact CG-CD2 3.89Å; Y155-F159 HydrophobicContact CG-CD2 3.89Å; Y155-F159 AromaticContact CZ-CD2 3.73Å; Y155-F159 WeakPolarHBondContact O-CB 3.09Å; Y155-F159 VanDerWaalsContact O-CD2 3.29Å; Y155-F159 WeakPolarHBondContact O-CD2 3.33Å; Y155-F159 PolarHBondContact O-N 3.29Å
160	A	88.4	Confident	91.7	Very high	24 Å²	24	51.3 Å²	51.3	20%	0.198	30%	0.298	C	S	.	.	S	Bend	trans	-71.4	145.6	177.5	0	0	0	0	0	111.1	D156 I169	D156-A160 HydrophobicContact CB-CB 4.28Å; D156-A160 WeakPolarHBondContact O-CB 3.31Å; D156-A160 PolarHBondContact O-N 2.91Å; A160-I169 HydrophobicContact CB-CB 3.92Å; A160-I169 HydrophobicContact CB-CG2 3.82Å
161	T	90.5	Very high	91.2	Very high	71 Å²	71	58.2 Å²	58.2	44%	0.436	32%	0.323	S	S	.	.			trans	-69	150.2	170.3	67.5	0	0	0	0	109.9	I169 F170 E183	T161-I169 WeakPolarHBondContact O-CA 3.48Å; T161-F170 PolarHBondContact O-N 3.15Å; T161-F170 WeakPolarHBondContact OG1-CD2 3.39Å; T161-E183 VanDerWaalsContact CB-OE2 3.32Å; T161-E183 WeakPolarHBondContact CB-OE2 3.29Å; T161-E183 PolarHBondContact OG1-OE2 2.81Å
162	R	93.5	Very high	90.5	Very high	116 Å²	116	60 Å²	60	44%	0.438	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-121.1	142.6	-172.5	-68.1	176.2	178.6	-82.1	-2.4	110.3	Q157 D164 G167 E168 I169	Q157-R162 PolarHBondContact O-NH2 2.91Å; R162-D164 PolarHBondContact O-N 3.4Å; R162-G167 PolarHBondContact NH1-O 2.93Å; R162-E168 WeakPolarHBondContact CA-O 3.36Å; R162-I169 HydrophobicContact CG-CG2 4.22Å
163	C	95.6	Very high	90.1	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.02	35%	0.354	C	S	.	.			trans	-67.2	125.1	177.6	172.6	0	0	0	0	110.9	G165 C166 G167 E168 F170 E183 H185 C188	C163-G165 PolarHBondContact O-N 3.44Å; C163-G165 VanDerWaalsContact O-N 3.1Å; C163-G165 PolarHBondContact SG-N 2.7Å; C163-C166 VanDerWaalsContact CB-SG 3.57Å; C163-C166 PolarHBondContact O-N 2.96Å; C163-G167 WeakPolarHBondContact O-CA 3.46Å; C163-G167 PolarHBondContact O-N 3.31Å; C163-E168 WeakPolarHBondContact CB-O 3.42Å; C163-E168 PolarHBondContact N-O 3.36Å; C163-F170 HydrophobicContact CB-CE1 4.41Å; C163-F170 HydrophobicContact CB-CE2 4.05Å; C163-F170 HydrophobicContact CB-CZ 3.77Å; C163-E183 CarbonylContact C-O 3.56Å; C163-E183 WeakPolarHBondContact CA-O 3.38Å; C163-H185 WeakPolarHBondContact CB-CE1 3.3Å; C163-H185 WeakPolarHBondContact CB-ND1 3.49Å; C163-H185 PolarHBondContact SG-N 2.92Å; C163-H185 PolarHBondContact SG-ND1 2.98Å; C163-H185 VanDerWaalsContact SG-ND1 3.41Å; C163-C188 VanDerWaalsContact SG-CB 3.54Å
164	D	94.5	Very high	89.9	Confident	87 Å²	87	60 Å²	60	47%	0.465	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.1	174.2	-78.7	-90.1	0	0	0	113.5	R162 K182 E183 W184	R162-D164 PolarHBondContact O-N 3.4Å; D164-K182 HydrophobicContact CB-CB 4.32Å; D164-K182 VanDerWaalsContact OD2-CA 3.3Å; D164-K182 WeakPolarHBondContact OD2-CA 2.89Å; D164-K182 WeakPolarHBondContact OD2-CB 3.43Å; D164-E183 PolarHBondContact N-O 3.1Å; D164-E183 PolarHBondContact OD2-N 2.7Å; D164-W184 HydrophobicContact CB-CD2 4.34Å; D164-W184 HydrophobicContact CB-CZ2 4.22Å
165	G	92.9	Very high	89.4	Confident	50 Å²	50	64.1 Å²	64.1	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-39	178.5	0	0	0	0	0	114.7	C163 W184	C163-G165 PolarHBondContact O-N 3.44Å; C163-G165 VanDerWaalsContact O-N 3.1Å; C163-G165 PolarHBondContact SG-N 2.7Å; G165-W184 VanDerWaalsContact N-CD1 3.32Å
166	C	95.1	Very high	89.3	Confident	60 Å²	60	64.9 Å²	64.9	41%	0.405	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-10.5	-173.8	66.4	0	0	0	0	114.8	C163 E168 H185	C163-C166 VanDerWaalsContact CB-SG 3.57Å; C163-C166 PolarHBondContact O-N 2.96Å; C166-E168 PolarHBondContact O-N 3.33Å; C166-H185 VanDerWaalsContact SG-CE1 3.52Å; C166-H185 PolarHBondContact SG-ND1 3.13Å
167	G	94	Very high	89.4	Confident	36 Å²	36	62.5 Å²	62.5	37%	0.371	36%	0.355	S	S	.	.			trans	78.3	-7.6	-177.5	0	0	0	0	0	115.3	R162 C163	R162-G167 PolarHBondContact NH1-O 2.93Å; C163-G167 WeakPolarHBondContact O-CA 3.46Å; C163-G167 PolarHBondContact O-N 3.31Å
168	E	93.7	Very high	89.5	Confident	118 Å²	118	61 Å²	61	55%	0.551	35%	0.348	S	S	*	.			trans	-76.8	152.1	179	-63.6	-58.1	142.4	0	0	112.3	R162 C163 C166	R162-E168 WeakPolarHBondContact CA-O 3.36Å; C163-E168 WeakPolarHBondContact CB-O 3.42Å; C163-E168 PolarHBondContact N-O 3.36Å; C166-E168 PolarHBondContact O-N 3.33Å
169	I	91.2	Very high	89.5	Confident	22 Å²	22	60.6 Å²	60.6	11%	0.113	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-68.6	151.8	-178.1	61.5	172	0	0	0	112.5	D156 A160 T161 R162 R171 H185	D156-I169 HydrophobicContact CB-CD1 3.67Å; A160-I169 HydrophobicContact CB-CB 3.92Å; A160-I169 HydrophobicContact CB-CG2 3.82Å; T161-I169 WeakPolarHBondContact O-CA 3.48Å; R162-I169 HydrophobicContact CG-CG2 4.22Å; I169-R171 HydrophobicContact CD1-CG 4.18Å; I169-R171 HydrophobicContact CG1-CG 4.24Å; I169-H185 PolarHBondContact O-NE2 3.44Å
170	F	90.1	Very high	89.5	Confident	9 Å²	9	65 Å²	65	4%	0.039	36%	0.356	C	S	.	.			trans	-84.4	110.7	165.5	-69.4	-77.6	0	0	0	110.2	V9 T161 C163 K176 E183 W184 H185	V9-F170 HydrophobicContact CG1-CB 4.24Å; V9-F170 HydrophobicContact CG2-CB 3.89Å; V9-F170 HydrophobicContact CG2-CD1 4.41Å; V9-F170 HydrophobicContact CG2-CG 4.43Å; T161-F170 PolarHBondContact O-N 3.15Å; T161-F170 WeakPolarHBondContact OG1-CD2 3.39Å; C163-F170 HydrophobicContact CB-CE1 4.41Å; C163-F170 HydrophobicContact CB-CE2 4.05Å; C163-F170 HydrophobicContact CB-CZ 3.77Å; F170-K176 HydrophobicContact CD1-CB 3.68Å; F170-K176 HydrophobicContact CE1-CB 3.47Å; F170-K176 VanDerWaalsContact CE1-CB 3.47Å; F170-K176 HydrophobicContact CG-CB 4.4Å; F170-K176 HydrophobicContact CZ-CB 4.03Å; F170-E183 HydrophobicContact CE2-CB 3.62Å; F170-E183 HydrophobicContact CZ-CB 3.79Å; F170-W184 VanDerWaalsContact CE1-C 3.44Å; F170-W184 WeakPolarHBondContact CE1-O 3.1Å; F170-W184 VanDerWaalsContact CZ-C 3.43Å; F170-H185 AromaticContact CD1-CD2 3.46Å; F170-H185 VanDerWaalsContact CD1-CD2 3.46Å; F170-H185 WeakPolarHBondContact CD1-CD2 3.39Å; F170-H185 AromaticContact CD1-NE2 3.64Å; F170-H185 AromaticContact CE1-CD2 3.41Å; F170-H185 VanDerWaalsContact CE1-CD2 3.41Å; F170-H185 WeakPolarHBondContact CE1-CD2 3.31Å; F170-H185 AromaticContact CE1-CG 3.96Å; F170-H185 AromaticContact CE1-NE2 3.81Å
171	R	83.3	Confident	89.5	Confident	157 Å²	157	67 Å²	67	59%	0.592	38%	0.379	S	S	*	.			trans	-80.9	153.5	176.4	-59.7	-174.1	178.5	163.7	0.3	111.1	I169 G173 M174	I169-R171 HydrophobicContact CD1-CG 4.18Å; I169-R171 HydrophobicContact CG1-CG 4.24Å; R171-G173 PolarHBondContact O-N 2.79Å; R171-M174 HydrophobicContact CB-CE 3.89Å; R171-M174 HydrophobicContact CB-CG 4.18Å; R171-M174 HydrophobicContact CB-SD 3.9Å; R171-M174 HydrophobicContact CG-CE 4.09Å; R171-M174 HydrophobicContact CG-SD 4.35Å; R171-M174 VanDerWaalsContact O-CB 3.25Å; R171-M174 WeakPolarHBondContact O-CB 3.33Å; R171-M174 WeakPolarHBondContact O-CG 3.42Å; R171-M174 PolarHBondContact O-N 3.17Å
172	A	77	Confident	89.6	Confident	57 Å²	57	68.8 Å²	68.8	47%	0.471	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	136.2	173.6	0	0	0	0	0	111.9	M174	A172-M174 PolarHBondContact O-N 2.54Å
173	G	80.8	Confident	89.6	Confident	66 Å²	66	64.8 Å²	64.8	68%	0.68	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-5.2	-178.2	0	0	0	0	0	115	V9 R171	V9-G173 PolarHBondContact O-N 3.44Å; R171-G173 PolarHBondContact O-N 2.79Å
174	M	85.4	Confident	89.5	Confident	75 Å²	75	66.4 Å²	66.4	37%	0.369	37%	0.373	S	S	.	.			trans	-75.1	154	170.2	-64.3	-172.2	170.2	0	0	111.1	V9 R171 A172	V9-M174 WeakPolarHBondContact CB-O 3.49Å; V9-M174 VanDerWaalsContact CG2-O 3.22Å; V9-M174 WeakPolarHBondContact CG2-O 3.31Å; V9-M174 PolarHBondContact N-O 2.99Å; R171-M174 HydrophobicContact CB-CE 3.89Å; R171-M174 HydrophobicContact CB-CG 4.18Å; R171-M174 HydrophobicContact CB-SD 3.9Å; R171-M174 HydrophobicContact CG-CE 4.09Å; R171-M174 HydrophobicContact CG-SD 4.35Å; R171-M174 VanDerWaalsContact O-CB 3.25Å; R171-M174 WeakPolarHBondContact O-CB 3.33Å; R171-M174 WeakPolarHBondContact O-CG 3.42Å; R171-M174 PolarHBondContact O-N 3.17Å; A172-M174 PolarHBondContact O-N 2.54Å
175	K	84.1	Confident	89.5	Confident	94 Å²	94	63.7 Å²	63.7	41%	0.409	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132	167.8	-66.1	176.9	171.7	-147.1	0	109.3	E6	E6-K175 HydrophobicContact CG-CB 4.29Å; E6-K175 HydrophobicContact CG-CD 4.22Å; E6-K175 HydrophobicContact CG-CG 4.3Å; E6-K175 WeakPolarHBondContact OE1-CD 3.41Å; E6-K175 WeakPolarHBondContact OE1-CE 3.32Å; E6-K175 IonicContact OE1-NZ 3.19Å; E6-K175 PolarHBondContact OE1-NZ 3.34Å; E6-K175 IonicContact OE2-NZ 3.83Å; E6-K175 PolarHBondContact OE2-NZ 3.43Å; E6-K175 VanDerWaalsContact OE2-NZ 3.07Å
176	K	88.7	Confident	89.4	Confident	35 Å²	35	64.4 Å²	64.4	15%	0.152	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.7	168.9	68.4	175.8	-177.8	174	0	110.5	V7 V9 F170 E183	V7-K176 HydrophobicContact CB-CD 4.43Å; V7-K176 HydrophobicContact CB-CG 3.86Å; V7-K176 PolarHBondContact N-O 2.81Å; V7-K176 WeakPolarHBondContact O-CG 3.17Å; V7-K176 PolarHBondContact O-N 2.94Å; V9-K176 HydrophobicContact CG2-CB 4.23Å; V9-K176 HydrophobicContact CG2-CD 4.21Å; V9-K176 HydrophobicContact CG2-CG 4.16Å; F170-K176 HydrophobicContact CD1-CB 3.68Å; F170-K176 HydrophobicContact CE1-CB 3.47Å; F170-K176 VanDerWaalsContact CE1-CB 3.47Å; F170-K176 HydrophobicContact CG-CB 4.4Å; F170-K176 HydrophobicContact CZ-CB 4.03Å; K176-E183 IonicContact NZ-OE1 2.83Å; K176-E183 PolarHBondContact NZ-OE1 3.39Å; K176-E183 IonicContact NZ-OE2 3.95Å
177	M	90.2	Very high	89.4	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	173.7	-64.7	-59.8	179.8	0	0	108.7	L4 E183 W184 D186 F189 T200	L4-M177 HydrophobicContact CB-SD 4.25Å; L4-M177 HydrophobicContact CD1-CB 4.01Å; L4-M177 HydrophobicContact CD1-CG 4.11Å; L4-M177 HydrophobicContact CD1-SD 4.03Å; M177-E183 CarbonylContact O-C 3.56Å; M177-E183 WeakPolarHBondContact O-CA 3.42Å; M177-W184 PolarHBondContact N-O 2.86Å; M177-W184 PolarHBondContact O-N 2.99Å; M177-D186 HydrophobicContact CE-CB 4.09Å; M177-D186 WeakPolarHBondContact CE-OD1 3.18Å; M177-F189 HydrophobicContact CB-CB 4.36Å; M177-F189 HydrophobicContact CG-CB 4.45Å; M177-T200 HydrophobicContact CE-CG2 4.07Å
178	E	90.6	Very high	89.4	Confident	72 Å²	72	69.6 Å²	69.6	34%	0.336	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.5	-179.2	-169.7	-175.5	150.7	0	0	111.7	L4 T5 K182	L4-E178 VanDerWaalsContact CD2-O 3.27Å; L4-E178 WeakPolarHBondContact CD2-O 3.47Å; T5-E178 PolarHBondContact O-N 3.41Å; T5-E178 PolarHBondContact OG1-O 2.82Å; E178-K182 WeakPolarHBondContact CA-O 3.41Å
179	Y	89.7	Confident	89.5	Confident	39 Å²	39	64.1 Å²	64.1	15%	0.153	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	126.2	170.2	-177.2	-114.9	0	0	0	111.4	F2 L4 G181 K182 F203 P205	F2-Y179 HydrophobicContact CD1-CE2 4.43Å; L4-Y179 HydrophobicContact CD2-CG 4.41Å; Y179-G181 VanDerWaalsContact C-N 3.27Å; Y179-G181 PolarHBondContact O-N 2.9Å; Y179-K182 PolarHBondContact N-O 3.07Å; Y179-K182 PolarHBondContact O-N 3.25Å; Y179-K182 VanDerWaalsContact O-N 3.12Å; Y179-F203 HydrophobicContact CD1-CE2 4.1Å; Y179-F203 HydrophobicContact CD1-CZ 4.23Å; Y179-F203 HydrophobicContact CD2-CE2 4.22Å; Y179-F203 AromaticContact CD2-CZ 3.61Å; Y179-F203 HydrophobicContact CD2-CZ 3.61Å; Y179-F203 AromaticContact CE1-CE2 3.93Å; Y179-F203 HydrophobicContact CE1-CE2 3.93Å; Y179-F203 HydrophobicContact CE1-CZ 4.3Å; Y179-F203 HydrophobicContact CE2-CE2 4.04Å; Y179-F203 AromaticContact CE2-CZ 3.69Å; Y179-F203 HydrophobicContact CE2-CZ 3.69Å; Y179-F203 HydrophobicContact CG-CE2 4.25Å; Y179-F203 AromaticContact CG-CZ 3.9Å; Y179-F203 HydrophobicContact CG-CZ 3.9Å; Y179-F203 AromaticContact CZ-CE2 3.9Å; Y179-P205 HydrophobicContact CE1-CB 4.38Å
180	K	89.8	Confident	89.6	Confident	174 Å²	174	64.8 Å²	64.8	76%	0.757	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	42.6	179.3	-68.6	-172.6	169.9	-172.4	0	113.5	K182	K180-K182 PolarHBondContact O-N 3.27Å
181	G	89.3	Confident	90	Very high	66 Å²	66	64.4 Å²	64.4	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	7.4	177.6	0	0	0	0	0	115.2	Y179	Y179-G181 VanDerWaalsContact C-N 3.27Å; Y179-G181 PolarHBondContact O-N 2.9Å
182	K	92.1	Very high	90.6	Very high	107 Å²	107	57.8 Å²	57.8	47%	0.465	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149	171.1	-69.1	-173.7	179.4	-172.8	0	110.2	D164 E178 Y179 K180 W184	D164-K182 HydrophobicContact CB-CB 4.32Å; D164-K182 VanDerWaalsContact OD2-CA 3.3Å; D164-K182 WeakPolarHBondContact OD2-CA 2.89Å; D164-K182 WeakPolarHBondContact OD2-CB 3.43Å; E178-K182 WeakPolarHBondContact CA-O 3.41Å; Y179-K182 PolarHBondContact N-O 3.07Å; Y179-K182 PolarHBondContact O-N 3.25Å; Y179-K182 VanDerWaalsContact O-N 3.12Å; K180-K182 PolarHBondContact O-N 3.27Å; K182-W184 HydrophobicContact CB-CE3 4.18Å; K182-W184 HydrophobicContact CB-CH2 3.13Å; K182-W184 HydrophobicContact CB-CZ2 3.63Å; K182-W184 HydrophobicContact CB-CZ3 3.42Å; K182-W184 VanDerWaalsContact CB-CZ3 3.42Å; K182-W184 HydrophobicContact CD-CH2 3.74Å; K182-W184 HydrophobicContact CD-CZ2 3.69Å; K182-W184 HydrophobicContact CG-CH2 4.05Å; K182-W184 HydrophobicContact CG-CZ2 4.32Å; K182-W184 VanDerWaalsContact O-CZ3 3.27Å; K182-W184 WeakPolarHBondContact O-CZ3 3.5Å
183	E	93.2	Very high	91.5	Very high	33 Å²	33	58.2 Å²	58.2	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.4	-174.5	-56.3	-170.7	143.7	0	0	110.6	T161 C163 D164 F170 K176 M177	T161-E183 VanDerWaalsContact CB-OE2 3.32Å; T161-E183 WeakPolarHBondContact CB-OE2 3.29Å; T161-E183 PolarHBondContact OG1-OE2 2.81Å; C163-E183 CarbonylContact C-O 3.56Å; C163-E183 WeakPolarHBondContact CA-O 3.38Å; D164-E183 PolarHBondContact N-O 3.1Å; D164-E183 PolarHBondContact OD2-N 2.7Å; F170-E183 HydrophobicContact CE2-CB 3.62Å; F170-E183 HydrophobicContact CZ-CB 3.79Å; K176-E183 IonicContact NZ-OE1 2.83Å; K176-E183 PolarHBondContact NZ-OE1 3.39Å; K176-E183 IonicContact NZ-OE2 3.95Å; M177-E183 CarbonylContact O-C 3.56Å; M177-E183 WeakPolarHBondContact O-CA 3.42Å
184	W	94.7	Very high	92.2	Very high	37 Å²	37	57.8 Å²	57.8	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.3	176.2	-62.9	-94.3	0	0	0	111.5	D164 G165 F170 M177 K182 C188 F189	D164-W184 HydrophobicContact CB-CD2 4.34Å; D164-W184 HydrophobicContact CB-CZ2 4.22Å; G165-W184 VanDerWaalsContact N-CD1 3.32Å; F170-W184 VanDerWaalsContact CE1-C 3.44Å; F170-W184 WeakPolarHBondContact CE1-O 3.1Å; F170-W184 VanDerWaalsContact CZ-C 3.43Å; M177-W184 PolarHBondContact N-O 2.86Å; M177-W184 PolarHBondContact O-N 2.99Å; K182-W184 HydrophobicContact CB-CE3 4.18Å; K182-W184 HydrophobicContact CB-CH2 3.13Å; K182-W184 HydrophobicContact CB-CZ2 3.63Å; K182-W184 HydrophobicContact CB-CZ3 3.42Å; K182-W184 VanDerWaalsContact CB-CZ3 3.42Å; K182-W184 HydrophobicContact CD-CH2 3.74Å; K182-W184 HydrophobicContact CD-CZ2 3.69Å; K182-W184 HydrophobicContact CG-CH2 4.05Å; K182-W184 HydrophobicContact CG-CZ2 4.32Å; K182-W184 VanDerWaalsContact O-CZ3 3.27Å; K182-W184 WeakPolarHBondContact O-CZ3 3.5Å; W184-C188 HydrophobicContact CB-CB 4.27Å; W184-F189 HydrophobicContact CB-CB 3.99Å; W184-F189 HydrophobicContact CB-CD2 4.37Å; W184-F189 AromaticContact CD2-CD2 3.74Å; W184-F189 HydrophobicContact CD2-CD2 3.74Å; W184-F189 HydrophobicContact CD2-CE2 4.37Å; W184-F189 AromaticContact CE3-CD2 3.7Å; W184-F189 HydrophobicContact CE3-CD2 3.7Å; W184-F189 HydrophobicContact CE3-CE2 4.06Å; W184-F189 HydrophobicContact CG-CB 4.41Å; W184-F189 HydrophobicContact CG-CD2 4.06Å; W184-F189 HydrophobicContact CH2-CE2 4.29Å; W184-F189 HydrophobicContact CZ3-CD2 4.16Å; W184-F189 HydrophobicContact CZ3-CE2 4.03Å
185	H	94	Very high	92.7	Very high	30 Å²	30	60.7 Å²	60.7	14%	0.139	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	150.5	159	-57.7	114.9	0	0	0	109	C163 C166 I169 F170 K187 C188 F189	C163-H185 WeakPolarHBondContact CB-CE1 3.3Å; C163-H185 WeakPolarHBondContact CB-ND1 3.49Å; C163-H185 PolarHBondContact SG-N 2.92Å; C163-H185 PolarHBondContact SG-ND1 2.98Å; C163-H185 VanDerWaalsContact SG-ND1 3.41Å; C166-H185 VanDerWaalsContact SG-CE1 3.52Å; C166-H185 PolarHBondContact SG-ND1 3.13Å; I169-H185 PolarHBondContact O-NE2 3.44Å; F170-H185 AromaticContact CD1-CD2 3.46Å; F170-H185 VanDerWaalsContact CD1-CD2 3.46Å; F170-H185 WeakPolarHBondContact CD1-CD2 3.39Å; F170-H185 AromaticContact CD1-NE2 3.64Å; F170-H185 AromaticContact CE1-CD2 3.41Å; F170-H185 VanDerWaalsContact CE1-CD2 3.41Å; F170-H185 WeakPolarHBondContact CE1-CD2 3.31Å; F170-H185 AromaticContact CE1-CG 3.96Å; F170-H185 AromaticContact CE1-NE2 3.81Å; H185-K187 PolarHBondContact O-N 3.11Å; H185-K187 VanDerWaalsContact O-N 3.13Å; H185-C188 HydrophobicContact CB-CB 4.11Å; H185-C188 WeakPolarHBondContact O-CA 3.45Å; H185-C188 WeakPolarHBondContact O-CB 3.36Å; H185-C188 PolarHBondContact O-N 3.13Å; H185-F189 PolarHBondContact O-N 3.3Å; H185-F189 VanDerWaalsContact O-N 3.11Å
186	D	91.4	Very high	93.3	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.342	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-42.6	174.6	176.4	52.5	0	0	0	112.2	M177 C188 G199	M177-D186 HydrophobicContact CE-CB 4.09Å; M177-D186 WeakPolarHBondContact CE-OD1 3.18Å; D186-C188 VanDerWaalsContact C-N 3.31Å; D186-C188 PolarHBondContact O-N 3.37Å; D186-G199 VanDerWaalsContact OD1-CA 3.29Å; D186-G199 WeakPolarHBondContact OD1-CA 3.27Å
187	K	93.6	Very high	93.6	Very high	166 Å²	166	60 Å²	60	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.3	177.2	-62.4	-176.7	-178.3	179.6	0	115.1	H185 C190	H185-K187 PolarHBondContact O-N 3.11Å; H185-K187 VanDerWaalsContact O-N 3.13Å; K187-C190 PolarHBondContact O-SG 3.33Å
188	C	94.8	Very high	93.8	Very high	39 Å²	39	60.1 Å²	60.1	26%	0.264	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-18.1	-178.6	-67.7	0	0	0	0	112.4	C163 W184 H185 D186 C190	C163-C188 VanDerWaalsContact SG-CB 3.54Å; W184-C188 HydrophobicContact CB-CB 4.27Å; H185-C188 HydrophobicContact CB-CB 4.11Å; H185-C188 WeakPolarHBondContact O-CA 3.45Å; H185-C188 WeakPolarHBondContact O-CB 3.36Å; H185-C188 PolarHBondContact O-N 3.13Å; D186-C188 VanDerWaalsContact C-N 3.31Å; D186-C188 PolarHBondContact O-N 3.37Å; C188-C190 VanDerWaalsContact C-N 3.26Å; C188-C190 PolarHBondContact O-N 3.41Å
189	F	94.5	Very high	93.7	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.013	30%	0.303	C	S	.	.	S	Bend	trans	-81	75.7	173.4	-164.8	-99.8	0	0	0	110.8	L4 M177 W184 H185 I198 F203 V210	L4-F189 HydrophobicContact CD1-CD1 3.17Å; L4-F189 HydrophobicContact CD1-CD2 4.34Å; L4-F189 HydrophobicContact CD1-CE1 3.2Å; L4-F189 HydrophobicContact CD1-CE2 4.35Å; L4-F189 HydrophobicContact CD1-CG 3.78Å; L4-F189 HydrophobicContact CD1-CZ 3.82Å; L4-F189 HydrophobicContact CD2-CE1 4.13Å; L4-F189 HydrophobicContact CD2-CE2 4.2Å; L4-F189 HydrophobicContact CD2-CZ 3.88Å; L4-F189 HydrophobicContact CG-CD1 4.34Å; L4-F189 HydrophobicContact CG-CE1 3.93Å; L4-F189 HydrophobicContact CG-CZ 4.18Å; M177-F189 HydrophobicContact CB-CB 4.36Å; M177-F189 HydrophobicContact CG-CB 4.45Å; W184-F189 HydrophobicContact CB-CB 3.99Å; W184-F189 HydrophobicContact CB-CD2 4.37Å; W184-F189 AromaticContact CD2-CD2 3.74Å; W184-F189 HydrophobicContact CD2-CD2 3.74Å; W184-F189 HydrophobicContact CD2-CE2 4.37Å; W184-F189 AromaticContact CE3-CD2 3.7Å; W184-F189 HydrophobicContact CE3-CD2 3.7Å; W184-F189 HydrophobicContact CE3-CE2 4.06Å; W184-F189 HydrophobicContact CG-CB 4.41Å; W184-F189 HydrophobicContact CG-CD2 4.06Å; W184-F189 HydrophobicContact CH2-CE2 4.29Å; W184-F189 HydrophobicContact CZ3-CD2 4.16Å; W184-F189 HydrophobicContact CZ3-CE2 4.03Å; H185-F189 PolarHBondContact O-N 3.3Å; H185-F189 VanDerWaalsContact O-N 3.11Å; F189-I198 HydrophobicContact CD1-CB 3.95Å; F189-I198 HydrophobicContact CD1-CD1 4.37Å; F189-I198 HydrophobicContact CE1-CB 4.2Å; F189-I198 HydrophobicContact CE1-CD1 4.05Å; F189-I198 HydrophobicContact CE1-CG2 4.49Å; F189-I198 PolarHBondContact O-N 2.96Å; F189-F203 HydrophobicContact CE1-CB 4.49Å; F189-F203 HydrophobicContact CE1-CD1 4.11Å; F189-F203 HydrophobicContact CE1-CD2 4.43Å; F189-F203 HydrophobicContact CE1-CE1 4.48Å; F189-F203 HydrophobicContact CE1-CG 4.09Å; F189-F203 HydrophobicContact CZ-CD1 4.33Å; F189-F203 HydrophobicContact CZ-CD2 4.06Å; F189-F203 HydrophobicContact CZ-CE1 4.37Å; F189-F203 HydrophobicContact CZ-CE2 4.09Å; F189-F203 HydrophobicContact CZ-CG 4.18Å; F189-F203 HydrophobicContact CZ-CZ 4.24Å; F189-V210 HydrophobicContact CE1-CG2 4.31Å; F189-V210 HydrophobicContact CE2-CG1 4.17Å; F189-V210 HydrophobicContact CE2-CG2 4.12Å; F189-V210 HydrophobicContact CZ-CB 4.12Å; F189-V210 HydrophobicContact CZ-CG1 3.89Å; F189-V210 HydrophobicContact CZ-CG2 3.94Å
190	C	95.3	Very high	93.5	Very high	36 Å²	36	59.2 Å²	59.2	24%	0.243	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-102.8	150.6	-171.8	-66.3	0	0	0	0	113.3	K187 C188 A192 K195 T196 V210	K187-C190 PolarHBondContact O-SG 3.33Å; C188-C190 VanDerWaalsContact C-N 3.26Å; C188-C190 PolarHBondContact O-N 3.41Å; C190-A192 PolarHBondContact O-N 3.4Å; C190-K195 WeakPolarHBondContact CB-O 3.37Å; C190-K195 PolarHBondContact SG-O 3.36Å; C190-T196 WeakPolarHBondContact CA-O 3.34Å; C190-V210 WeakPolarHBondContact O-CG2 3.06Å
191	C	96.6	Very high	93.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.007	31%	0.309	C	S	.	.			trans	-63.9	133.1	169.5	174.4	0	0	0	0	110.8	L193 C194 K195 T196 I198 V210 C212 C215	C191-L193 PolarHBondContact O-N 3.33Å; C191-L193 VanDerWaalsContact O-N 3.15Å; C191-L193 PolarHBondContact SG-N 3.17Å; C191-L193 VanDerWaalsContact SG-N 3.44Å; C191-C194 VanDerWaalsContact CB-SG 3.53Å; C191-K195 WeakPolarHBondContact O-CA 3.37Å; C191-K195 PolarHBondContact O-N 2.86Å; C191-T196 PolarHBondContact N-O 3.06Å; C191-I198 HydrophobicContact CB-CD1 4.18Å; C191-I198 HydrophobicContact CB-CG1 4.14Å; C191-V210 CarbonylContact C-O 3.51Å; C191-V210 WeakPolarHBondContact CA-O 3.36Å; C191-C212 HydrophobicContact CB-CB 4.07Å; C191-C212 PolarHBondContact SG-N 2.77Å; C191-C215 VanDerWaalsContact SG-CB 3.58Å
192	A	95.8	Very high	93.5	Very high	18 Å²	18	55.9 Å²	55.9	15%	0.149	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	179.8	0	0	0	0	0	113.9	C190 K195 E209 V210 Y211	C190-A192 PolarHBondContact O-N 3.4Å; A192-K195 VanDerWaalsContact O-CE 3.32Å; A192-K195 WeakPolarHBondContact O-CE 3.49Å; A192-K195 PolarHBondContact O-NZ 3.1Å; A192-E209 HydrophobicContact CB-CB 3.84Å; A192-E209 HydrophobicContact CB-CG 4.14Å; A192-V210 PolarHBondContact N-O 3.02Å; A192-Y211 HydrophobicContact CB-CE1 4.32Å
193	L	96.1	Very high	93.6	Very high	67 Å²	67	50.8 Å²	50.8	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-67.9	177.8	-60.2	-176.2	0	0	0	113.1	C191 K195 Y211 C215 K219	C191-L193 PolarHBondContact O-N 3.33Å; C191-L193 VanDerWaalsContact O-N 3.15Å; C191-L193 PolarHBondContact SG-N 3.17Å; C191-L193 VanDerWaalsContact SG-N 3.44Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 2.77Å; L193-Y211 HydrophobicContact CD1-CD1 3.83Å; L193-Y211 HydrophobicContact CD1-CE1 3.8Å; L193-Y211 HydrophobicContact CD2-CE1 3.83Å; L193-Y211 HydrophobicContact CG-CD1 3.67Å; L193-Y211 HydrophobicContact CG-CE1 3.48Å; L193-Y211 VanDerWaalsContact CG-CE1 3.48Å; L193-C215 HydrophobicContact CB-CB 4.07Å; L193-C215 HydrophobicContact CD1-CB 3.87Å; L193-C215 WeakPolarHBondContact CD1-O 3.27Å; L193-C215 HydrophobicContact CG-CB 4.36Å; L193-K219 HydrophobicContact CD1-CB 3.66Å; L193-K219 HydrophobicContact CD1-CD 3.45Å; L193-K219 VanDerWaalsContact CD1-CD 3.45Å; L193-K219 HydrophobicContact CD1-CG 4.15Å; L193-K219 HydrophobicContact CD2-CD 3.71Å; L193-K219 HydrophobicContact CG-CD 4.14Å
194	C	96.9	Very high	93.7	Very high	56 Å²	56	50.8 Å²	50.8	38%	0.378	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.8	-173.7	65.1	0	0	0	0	113.9	C191 T196	C191-C194 VanDerWaalsContact CB-SG 3.53Å; C194-T196 PolarHBondContact O-N 2.81Å; C194-T196 PolarHBondContact SG-OG1 2.9Å
195	K	95.8	Very high	93.6	Very high	137 Å²	137	51 Å²	51	60%	0.596	27%	0.272	S	S	*	.			trans	58.7	4.9	-176.7	-51.3	-54.6	-171.4	-171.9	0	115.1	C190 C191 A192 L193	C190-K195 WeakPolarHBondContact CB-O 3.37Å; C190-K195 PolarHBondContact SG-O 3.36Å; C191-K195 WeakPolarHBondContact O-CA 3.37Å; C191-K195 PolarHBondContact O-N 2.86Å; A192-K195 VanDerWaalsContact O-CE 3.32Å; A192-K195 WeakPolarHBondContact O-CE 3.49Å; A192-K195 PolarHBondContact O-NZ 3.1Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 2.77Å
196	T	96.4	Very high	93.5	Very high	68 Å²	68	53 Å²	53	42%	0.417	28%	0.281	S	S	.	.			trans	-70.7	136.4	173.8	-48.1	0	0	0	0	110.5	C190 C191 C194 I198	C190-T196 WeakPolarHBondContact CA-O 3.34Å; C191-T196 PolarHBondContact N-O 3.06Å; C194-T196 PolarHBondContact O-N 2.81Å; C194-T196 PolarHBondContact SG-OG1 2.9Å; T196-I198 PolarHBondContact O-N 3.45Å
197	P	95.3	Very high	93.5	Very high	47 Å²	47	56.6 Å²	56.6	31%	0.305	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-54	127.2	170	-27.2	35.5	0	0	0	111.5	R201	P197-R201 PolarHBondContact O-NH2 3.48Å
198	I	93.9	Very high	93.1	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.015	31%	0.311	C	S	.	.			trans	-77.8	-39.6	179.4	-60.1	178.3	0	0	0	109.9	F189 C191 T196 R201 F203 V210 C212	F189-I198 HydrophobicContact CD1-CB 3.95Å; F189-I198 HydrophobicContact CD1-CD1 4.37Å; F189-I198 HydrophobicContact CE1-CB 4.2Å; F189-I198 HydrophobicContact CE1-CD1 4.05Å; F189-I198 HydrophobicContact CE1-CG2 4.49Å; F189-I198 PolarHBondContact O-N 2.96Å; C191-I198 HydrophobicContact CB-CD1 4.18Å; C191-I198 HydrophobicContact CB-CG1 4.14Å; T196-I198 PolarHBondContact O-N 3.45Å; I198-R201 HydrophobicContact CG2-CB 3.97Å; I198-R201 WeakPolarHBondContact CG2-O 3.46Å; I198-R201 VanDerWaalsContact O-CB 3.31Å; I198-R201 WeakPolarHBondContact O-CB 3.46Å; I198-R201 WeakPolarHBondContact O-CG 3.41Å; I198-R201 PolarHBondContact O-N 3.04Å; I198-R201 PolarHBondContact O-NE 3.04Å; I198-F203 HydrophobicContact CD1-CB 3.83Å; I198-F203 HydrophobicContact CG2-CB 4.15Å; I198-V210 HydrophobicContact CD1-CB 4.46Å; I198-V210 HydrophobicContact CD1-CG2 4.17Å; I198-C212 HydrophobicContact CD1-CB 4.48Å; I198-C212 HydrophobicContact CG1-CB 4.3Å
199	G	87.7	Confident	93	Very high	8 Å²	8	59.4 Å²	59.4	8%	0.082	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-137.6	-174.7	0	0	0	0	0	111.9	L4 D186 R201	L4-G199 WeakPolarHBondContact CD1-O 3.36Å; D186-G199 VanDerWaalsContact OD1-CA 3.29Å; D186-G199 WeakPolarHBondContact OD1-CA 3.27Å; G199-R201 PolarHBondContact O-N 3.01Å
200	T	86.4	Confident	93	Very high	83 Å²	83	60.4 Å²	60.4	51%	0.509	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.7	177.5	57.5	0	0	0	0	114.3	M177	M177-T200 HydrophobicContact CE-CG2 4.07Å
201	R	88.9	Confident	93.1	Very high	136 Å²	136	58.9 Å²	58.9	51%	0.513	31%	0.313	S	S	.	.	S	Bend	trans	-67	161.2	178.3	-62.6	-177.9	-70.9	175.4	-4.6	111.1	P197 I198 G199	P197-R201 PolarHBondContact O-NH2 3.48Å; I198-R201 HydrophobicContact CG2-CB 3.97Å; I198-R201 WeakPolarHBondContact CG2-O 3.46Å; I198-R201 VanDerWaalsContact O-CB 3.31Å; I198-R201 WeakPolarHBondContact O-CB 3.46Å; I198-R201 WeakPolarHBondContact O-CG 3.41Å; I198-R201 PolarHBondContact O-N 3.04Å; I198-R201 PolarHBondContact O-NE 3.04Å; G199-R201 PolarHBondContact O-N 3.01Å
202	S	90.8	Very high	93	Very high	35 Å²	35	59.7 Å²	59.7	25%	0.245	32%	0.319	C	S	.	.			trans	-61	138.8	173.6	46.6	0	0	0	0	112.4	M1 F2 S213	M1-S202 WeakPolarHBondContact SD-CB 3.22Å; F2-S202 WeakPolarHBondContact O-CA 3.37Å; S202-S213 PolarHBondContact O-OG 3.03Å; S202-S213 PolarHBondContact OG-OG 2.67Å
203	F	93.6	Very high	92.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	163.4	173.1	68.7	-80	0	0	0	111.9	F2 L4 Y179 F189 I198 V210 Y211	F2-F203 HydrophobicContact CB-CD1 4.25Å; F2-F203 HydrophobicContact CB-CE1 3.67Å; F2-F203 HydrophobicContact CB-CE2 4.05Å; F2-F203 HydrophobicContact CB-CZ 3.57Å; F2-F203 HydrophobicContact CG-CZ 4.46Å; F2-F203 PolarHBondContact N-O 3.12Å; F2-F203 PolarHBondContact O-N 3.25Å; L4-F203 HydrophobicContact CD2-CE1 3.86Å; L4-F203 HydrophobicContact CD2-CZ 4.08Å; L4-F203 HydrophobicContact CG-CD1 4.15Å; L4-F203 HydrophobicContact CG-CE1 3.63Å; L4-F203 HydrophobicContact CG-CZ 4.34Å; Y179-F203 HydrophobicContact CD1-CE2 4.1Å; Y179-F203 HydrophobicContact CD1-CZ 4.23Å; Y179-F203 HydrophobicContact CD2-CE2 4.22Å; Y179-F203 AromaticContact CD2-CZ 3.61Å; Y179-F203 HydrophobicContact CD2-CZ 3.61Å; Y179-F203 AromaticContact CE1-CE2 3.93Å; Y179-F203 HydrophobicContact CE1-CE2 3.93Å; Y179-F203 HydrophobicContact CE1-CZ 4.3Å; Y179-F203 HydrophobicContact CE2-CE2 4.04Å; Y179-F203 AromaticContact CE2-CZ 3.69Å; Y179-F203 HydrophobicContact CE2-CZ 3.69Å; Y179-F203 HydrophobicContact CG-CE2 4.25Å; Y179-F203 AromaticContact CG-CZ 3.9Å; Y179-F203 HydrophobicContact CG-CZ 3.9Å; Y179-F203 AromaticContact CZ-CE2 3.9Å; F189-F203 HydrophobicContact CE1-CB 4.49Å; F189-F203 HydrophobicContact CE1-CD1 4.11Å; F189-F203 HydrophobicContact CE1-CD2 4.43Å; F189-F203 HydrophobicContact CE1-CE1 4.48Å; F189-F203 HydrophobicContact CE1-CG 4.09Å; F189-F203 HydrophobicContact CZ-CD1 4.33Å; F189-F203 HydrophobicContact CZ-CD2 4.06Å; F189-F203 HydrophobicContact CZ-CE1 4.37Å; F189-F203 HydrophobicContact CZ-CE2 4.09Å; F189-F203 HydrophobicContact CZ-CG 4.18Å; F189-F203 HydrophobicContact CZ-CZ 4.24Å; I198-F203 HydrophobicContact CD1-CB 3.83Å; I198-F203 HydrophobicContact CG2-CB 4.15Å; F203-V210 HydrophobicContact CD2-CB 4.2Å; F203-V210 HydrophobicContact CD2-CG1 4Å; F203-V210 HydrophobicContact CE2-CG1 4.25Å; F203-Y211 CarbonylContact C-O 3.55Å; F203-Y211 VanDerWaalsContact CA-O 3.3Å; F203-Y211 WeakPolarHBondContact CA-O 3.25Å; F203-Y211 WeakPolarHBondContact CB-O 3.45Å
204	I	94.4	Very high	92.8	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.169	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113	176.7	-55.1	85.9	0	0	0	108.2	Y211 F216	I204-Y211 PolarHBondContact N-O 3.06Å; I204-Y211 PolarHBondContact O-N 2.81Å; I204-F216 HydrophobicContact CB-CB 4.32Å; I204-F216 HydrophobicContact CB-CD1 4.44Å; I204-F216 HydrophobicContact CB-CD2 3.67Å; I204-F216 HydrophobicContact CB-CE2 4.06Å; I204-F216 HydrophobicContact CB-CG 3.88Å; I204-F216 HydrophobicContact CD1-CB 3.86Å; I204-F216 HydrophobicContact CD1-CG 4.14Å; I204-F216 HydrophobicContact CG1-CB 4.32Å; I204-F216 HydrophobicContact CG1-CD1 4.28Å; I204-F216 HydrophobicContact CG1-CD2 4.35Å; I204-F216 HydrophobicContact CG1-CG 4.05Å; I204-F216 HydrophobicContact CG2-CD1 4.3Å; I204-F216 HydrophobicContact CG2-CD2 3.55Å; I204-F216 HydrophobicContact CG2-CE1 4.16Å; I204-F216 HydrophobicContact CG2-CE2 3.38Å; I204-F216 HydrophobicContact CG2-CG 4.01Å; I204-F216 HydrophobicContact CG2-CZ 3.71Å
205	P	92.9	Very high	92.7	Very high	40 Å²	40	59.1 Å²	59.1	26%	0.26	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.3	171.6	31.8	-34.2	0	0	0	110.4	F2 Y179 E209	F2-P205 VanDerWaalsContact CD2-CD 3.43Å; F2-P205 HydrophobicContact CD2-CG 3.8Å; F2-P205 HydrophobicContact CE2-CG 3.67Å; Y179-P205 HydrophobicContact CE1-CB 4.38Å; P205-E209 CarbonylContact C-O 3.55Å; P205-E209 WeakPolarHBondContact CA-O 3.43Å
206	K	92.9	Very high	92.7	Very high	74 Å²	74	55.3 Å²	55.3	32%	0.322	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	124	173.2	-176.4	173.3	178.3	-179.5	0	109.7	D208 E209 Y211 F216 F220	K206-D208 PolarHBondContact O-N 3.29Å; K206-E209 PolarHBondContact N-O 2.87Å; K206-E209 PolarHBondContact O-N 3.36Å; K206-E209 VanDerWaalsContact O-N 3.13Å; K206-Y211 HydrophobicContact CB-CD2 4.31Å; K206-Y211 HydrophobicContact CB-CE2 4.09Å; K206-F216 HydrophobicContact CB-CE2 4.21Å; K206-F216 HydrophobicContact CD-CE2 3.82Å; K206-F216 HydrophobicContact CD-CZ 4.4Å; K206-F220 HydrophobicContact CD-CD2 4.27Å; K206-F220 HydrophobicContact CD-CE1 4.16Å; K206-F220 HydrophobicContact CD-CE2 3.9Å; K206-F220 HydrophobicContact CD-CZ 3.81Å
207	N	89.9	Confident	92.5	Very high	139 Å²	139	57.2 Å²	57.2	74%	0.743	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	53.4	179.1	-56.1	-13.9	0	0	0	113.1	E209	N207-E209 PolarHBondContact O-N 3.29Å
208	D	87.1	Confident	92.3	Very high	176 Å²	176	61.1 Å²	61.1	94%	0.941	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-1.7	-177.7	-56.9	-42.8	0	0	0	117	K206	K206-D208 PolarHBondContact O-N 3.29Å
209	E	92.8	Very high	92.2	Very high	87 Å²	87	66 Å²	66	41%	0.407	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	153.8	172.2	-66.6	-175.3	141.1	0	0	111.6	A192 P205 K206 N207 Y211	A192-E209 HydrophobicContact CB-CB 3.84Å; A192-E209 HydrophobicContact CB-CG 4.14Å; P205-E209 CarbonylContact C-O 3.55Å; P205-E209 WeakPolarHBondContact CA-O 3.43Å; K206-E209 PolarHBondContact N-O 2.87Å; K206-E209 PolarHBondContact O-N 3.36Å; K206-E209 VanDerWaalsContact O-N 3.13Å; N207-E209 PolarHBondContact O-N 3.29Å; E209-Y211 HydrophobicContact CB-CD2 4.43Å; E209-Y211 HydrophobicContact CB-CE2 3.66Å; E209-Y211 PolarHBondContact OE2-OH 3.43Å
210	V	93.6	Very high	92.4	Very high	24 Å²	24	68.5 Å²	68.5	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.7	174.2	-62.2	0	0	0	0	110.8	F189 C190 C191 A192 I198 F203	F189-V210 HydrophobicContact CE1-CG2 4.31Å; F189-V210 HydrophobicContact CE2-CG1 4.17Å; F189-V210 HydrophobicContact CE2-CG2 4.12Å; F189-V210 HydrophobicContact CZ-CB 4.12Å; F189-V210 HydrophobicContact CZ-CG1 3.89Å; F189-V210 HydrophobicContact CZ-CG2 3.94Å; C190-V210 WeakPolarHBondContact O-CG2 3.06Å; C191-V210 CarbonylContact C-O 3.51Å; C191-V210 WeakPolarHBondContact CA-O 3.36Å; A192-V210 PolarHBondContact N-O 3.02Å; I198-V210 HydrophobicContact CD1-CB 4.46Å; I198-V210 HydrophobicContact CD1-CG2 4.17Å; F203-V210 HydrophobicContact CD2-CB 4.2Å; F203-V210 HydrophobicContact CD2-CG1 4Å; F203-V210 HydrophobicContact CE2-CG1 4.25Å
211	Y	96.4	Very high	92.6	Very high	5 Å²	5	65.8 Å²	65.8	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.2	-178.2	-64	-100.5	0	0	0	110.1	A192 L193 F203 I204 K206 E209 F216 K219 F220	A192-Y211 HydrophobicContact CB-CE1 4.32Å; L193-Y211 HydrophobicContact CD1-CD1 3.83Å; L193-Y211 HydrophobicContact CD1-CE1 3.8Å; L193-Y211 HydrophobicContact CD2-CE1 3.83Å; L193-Y211 HydrophobicContact CG-CD1 3.67Å; L193-Y211 HydrophobicContact CG-CE1 3.48Å; L193-Y211 VanDerWaalsContact CG-CE1 3.48Å; F203-Y211 CarbonylContact C-O 3.55Å; F203-Y211 VanDerWaalsContact CA-O 3.3Å; F203-Y211 WeakPolarHBondContact CA-O 3.25Å; F203-Y211 WeakPolarHBondContact CB-O 3.45Å; I204-Y211 PolarHBondContact N-O 3.06Å; I204-Y211 PolarHBondContact O-N 2.81Å; K206-Y211 HydrophobicContact CB-CD2 4.31Å; K206-Y211 HydrophobicContact CB-CE2 4.09Å; E209-Y211 HydrophobicContact CB-CD2 4.43Å; E209-Y211 HydrophobicContact CB-CE2 3.66Å; E209-Y211 PolarHBondContact OE2-OH 3.43Å; Y211-F216 HydrophobicContact CD2-CD2 4.34Å; Y211-F216 HydrophobicContact CG-CD2 4.19Å; Y211-K219 HydrophobicContact CE1-CD 4.09Å; Y211-K219 PolarHBondContact OH-NZ 2.95Å; Y211-F220 HydrophobicContact CD1-CE2 4.03Å; Y211-F220 HydrophobicContact CD2-CE2 4.38Å; Y211-F220 AromaticContact CE1-CE2 3.69Å; Y211-F220 HydrophobicContact CE1-CE2 3.69Å; Y211-F220 HydrophobicContact CE1-CZ 4.05Å; Y211-F220 HydrophobicContact CE2-CE2 4.13Å; Y211-F220 HydrophobicContact CE2-CZ 4.42Å; Y211-F220 HydrophobicContact CG-CE2 4.36Å; Y211-F220 AromaticContact CZ-CE2 3.77Å; Y211-F220 AromaticContact CZ-CZ 3.86Å
212	C	95.5	Very high	92.9	Very high	18 Å²	18	63.2 Å²	63.2	12%	0.122	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	155.7	164.1	78.4	0	0	0	0	109.3	C191 I198 A214 C215 F216	C191-C212 HydrophobicContact CB-CB 4.07Å; C191-C212 PolarHBondContact SG-N 2.77Å; I198-C212 HydrophobicContact CD1-CB 4.48Å; I198-C212 HydrophobicContact CG1-CB 4.3Å; C212-A214 VanDerWaalsContact C-N 3.31Å; C212-A214 PolarHBondContact O-N 3.3Å; C212-C215 PolarHBondContact O-N 3.09Å; C212-C215 WeakPolarHBondContact SG-CB 3.46Å; C212-C215 PolarHBondContact SG-N 3.11Å; C212-C215 VanDerWaalsContact SG-N 3.43Å; C212-F216 WeakPolarHBondContact O-CB 3.4Å; C212-F216 PolarHBondContact O-N 2.94Å
213	S	93.1	Very high	93.1	Very high	34 Å²	34	65.1 Å²	65.1	24%	0.238	34%	0.343	C	S	.	.	H	α-helix	trans	-55.3	-43.6	-175.2	-52.9	0	0	0	0	113.5	S202 F216 E217	S202-S213 PolarHBondContact O-OG 3.03Å; S202-S213 PolarHBondContact OG-OG 2.67Å; S213-F216 PolarHBondContact O-N 2.96Å; S213-E217 WeakPolarHBondContact O-CB 3.4Å; S213-E217 PolarHBondContact O-N 3.12Å
214	A	93.6	Very high	93.3	Very high	73 Å²	73	65.1 Å²	65.1	60%	0.603	34%	0.343	S	S	*	.	H	α-helix	trans	-63.6	-46.4	178.6	0	0	0	0	0	112.7	C212 F216 E217 E218	C212-A214 VanDerWaalsContact C-N 3.31Å; C212-A214 PolarHBondContact O-N 3.3Å; A214-F216 VanDerWaalsContact C-N 3.35Å; A214-F216 PolarHBondContact O-N 3.03Å; A214-E217 PolarHBondContact O-N 2.87Å; A214-E218 VanDerWaalsContact O-CB 3.31Å; A214-E218 WeakPolarHBondContact O-CB 3.41Å; A214-E218 PolarHBondContact O-N 3.01Å
215	C	96	Very high	93.3	Very high	22 Å²	22	65.1 Å²	65.1	15%	0.149	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-35.1	178.4	-81.6	0	0	0	0	112.8	C191 L193 C212 K219	C191-C215 VanDerWaalsContact SG-CB 3.58Å; L193-C215 HydrophobicContact CB-CB 4.07Å; L193-C215 HydrophobicContact CD1-CB 3.87Å; L193-C215 WeakPolarHBondContact CD1-O 3.27Å; L193-C215 HydrophobicContact CG-CB 4.36Å; C212-C215 PolarHBondContact O-N 3.09Å; C212-C215 WeakPolarHBondContact SG-CB 3.46Å; C212-C215 PolarHBondContact SG-N 3.11Å; C212-C215 VanDerWaalsContact SG-N 3.43Å; C215-K219 WeakPolarHBondContact O-CB 3.32Å; C215-K219 PolarHBondContact O-N 2.78Å
216	F	94.7	Very high	93.4	Very high	56 Å²	56	69.3 Å²	69.3	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-47.2	175.4	-172.3	-89.1	0	0	0	111	I204 K206 Y211 C212 S213 A214 K219 F220	I204-F216 HydrophobicContact CB-CB 4.32Å; I204-F216 HydrophobicContact CB-CD1 4.44Å; I204-F216 HydrophobicContact CB-CD2 3.67Å; I204-F216 HydrophobicContact CB-CE2 4.06Å; I204-F216 HydrophobicContact CB-CG 3.88Å; I204-F216 HydrophobicContact CD1-CB 3.86Å; I204-F216 HydrophobicContact CD1-CG 4.14Å; I204-F216 HydrophobicContact CG1-CB 4.32Å; I204-F216 HydrophobicContact CG1-CD1 4.28Å; I204-F216 HydrophobicContact CG1-CD2 4.35Å; I204-F216 HydrophobicContact CG1-CG 4.05Å; I204-F216 HydrophobicContact CG2-CD1 4.3Å; I204-F216 HydrophobicContact CG2-CD2 3.55Å; I204-F216 HydrophobicContact CG2-CE1 4.16Å; I204-F216 HydrophobicContact CG2-CE2 3.38Å; I204-F216 HydrophobicContact CG2-CG 4.01Å; I204-F216 HydrophobicContact CG2-CZ 3.71Å; K206-F216 HydrophobicContact CB-CE2 4.21Å; K206-F216 HydrophobicContact CD-CE2 3.82Å; K206-F216 HydrophobicContact CD-CZ 4.4Å; Y211-F216 HydrophobicContact CD2-CD2 4.34Å; Y211-F216 HydrophobicContact CG-CD2 4.19Å; C212-F216 WeakPolarHBondContact O-CB 3.4Å; C212-F216 PolarHBondContact O-N 2.94Å; S213-F216 PolarHBondContact O-N 2.96Å; A214-F216 VanDerWaalsContact C-N 3.35Å; A214-F216 PolarHBondContact O-N 3.03Å; F216-K219 PolarHBondContact O-N 2.94Å; F216-F220 HydrophobicContact CD1-CD2 4.39Å; F216-F220 AromaticContact CD2-CD2 3.45Å; F216-F220 HydrophobicContact CD2-CD2 3.45Å; F216-F220 VanDerWaalsContact CD2-CD2 3.45Å; F216-F220 AromaticContact CD2-CE2 3.83Å; F216-F220 HydrophobicContact CD2-CE2 3.83Å; F216-F220 HydrophobicContact CE1-CB 4.3Å; F216-F220 HydrophobicContact CE1-CD2 4.45Å; F216-F220 AromaticContact CE2-CD2 3.54Å; F216-F220 HydrophobicContact CE2-CD2 3.54Å; F216-F220 AromaticContact CE2-CE2 3.97Å; F216-F220 HydrophobicContact CE2-CE2 3.97Å; F216-F220 HydrophobicContact CE2-CG 4.36Å; F216-F220 AromaticContact CG-CD2 3.91Å; F216-F220 HydrophobicContact CG-CD2 3.91Å; F216-F220 HydrophobicContact CZ-CB 4.34Å; F216-F220 HydrophobicContact CZ-CD2 4.06Å; F216-F220 HydrophobicContact CZ-CG 4.49Å; F216-F220 WeakPolarHBondContact O-CB 3.48Å; F216-F220 WeakPolarHBondContact O-CD2 3.34Å; F216-F220 PolarHBondContact O-N 3.33Å
217	E	92.4	Very high	93.6	Very high	108 Å²	108	68.1 Å²	68.1	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-48.4	175.7	-170.4	174.8	123.1	0	0	110.5	S213 A214 K219 F220 A221 V230	S213-E217 WeakPolarHBondContact O-CB 3.4Å; S213-E217 PolarHBondContact O-N 3.12Å; A214-E217 PolarHBondContact O-N 2.87Å; E217-K219 VanDerWaalsContact C-N 3.33Å; E217-K219 PolarHBondContact O-N 2.87Å; E217-F220 PolarHBondContact O-N 3.47Å; E217-A221 HydrophobicContact CG-CB 3.93Å; E217-A221 WeakPolarHBondContact O-CA 3.37Å; E217-A221 WeakPolarHBondContact O-CB 3.3Å; E217-A221 PolarHBondContact O-N 3.44Å; E217-V230 HydrophobicContact CG-CG1 4.49Å; E217-V230 HydrophobicContact CG-CG2 4.08Å
218	E	91.8	Very high	93.8	Very high	129 Å²	129	67.7 Å²	67.7	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-58.4	-43.5	-178.9	-172	54.1	-130.4	0	0	112.8	A214 R223	A214-E218 VanDerWaalsContact O-CB 3.31Å; A214-E218 WeakPolarHBondContact O-CB 3.41Å; A214-E218 PolarHBondContact O-N 3.01Å; E218-R223 IonicContact OE1-CZ 3.62Å; E218-R223 IonicContact OE1-NH2 3.03Å; E218-R223 PolarHBondContact OE1-NH2 3.12Å; E218-R223 IonicContact OE2-CZ 3.79Å; E218-R223 IonicContact OE2-NH2 3.69Å; E218-R223 PolarHBondContact OE2-NH2 3.43Å
219	K	91.2	Very high	94.2	Very high	106 Å²	106	65.1 Å²	65.1	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-82.7	-31.2	-176.5	-175.3	173.4	174.2	-173.2	0	114	L193 Y211 C215 F216 E217	L193-K219 HydrophobicContact CD1-CB 3.66Å; L193-K219 HydrophobicContact CD1-CD 3.45Å; L193-K219 VanDerWaalsContact CD1-CD 3.45Å; L193-K219 HydrophobicContact CD1-CG 4.15Å; L193-K219 HydrophobicContact CD2-CD 3.71Å; L193-K219 HydrophobicContact CG-CD 4.14Å; Y211-K219 HydrophobicContact CE1-CD 4.09Å; Y211-K219 PolarHBondContact OH-NZ 2.95Å; C215-K219 WeakPolarHBondContact O-CB 3.32Å; C215-K219 PolarHBondContact O-N 2.78Å; F216-K219 PolarHBondContact O-N 2.94Å; E217-K219 VanDerWaalsContact C-N 3.33Å; E217-K219 PolarHBondContact O-N 2.87Å
220	F	91.9	Very high	94.2	Very high	60 Å²	60	62.1 Å²	62.1	26%	0.263	32%	0.32	S	S	.	.	H	α-helix	trans	-123.6	-3.6	-167.4	-55.3	-63.5	0	0	0	114.7	K206 Y211 F216 E217 T222	K206-F220 HydrophobicContact CD-CD2 4.27Å; K206-F220 HydrophobicContact CD-CE1 4.16Å; K206-F220 HydrophobicContact CD-CE2 3.9Å; K206-F220 HydrophobicContact CD-CZ 3.81Å; Y211-F220 HydrophobicContact CD1-CE2 4.03Å; Y211-F220 HydrophobicContact CD2-CE2 4.38Å; Y211-F220 AromaticContact CE1-CE2 3.69Å; Y211-F220 HydrophobicContact CE1-CE2 3.69Å; Y211-F220 HydrophobicContact CE1-CZ 4.05Å; Y211-F220 HydrophobicContact CE2-CE2 4.13Å; Y211-F220 HydrophobicContact CE2-CZ 4.42Å; Y211-F220 HydrophobicContact CG-CE2 4.36Å; Y211-F220 AromaticContact CZ-CE2 3.77Å; Y211-F220 AromaticContact CZ-CZ 3.86Å; F216-F220 HydrophobicContact CD1-CD2 4.39Å; F216-F220 AromaticContact CD2-CD2 3.45Å; F216-F220 HydrophobicContact CD2-CD2 3.45Å; F216-F220 VanDerWaalsContact CD2-CD2 3.45Å; F216-F220 AromaticContact CD2-CE2 3.83Å; F216-F220 HydrophobicContact CD2-CE2 3.83Å; F216-F220 HydrophobicContact CE1-CB 4.3Å; F216-F220 HydrophobicContact CE1-CD2 4.45Å; F216-F220 AromaticContact CE2-CD2 3.54Å; F216-F220 HydrophobicContact CE2-CD2 3.54Å; F216-F220 AromaticContact CE2-CE2 3.97Å; F216-F220 HydrophobicContact CE2-CE2 3.97Å; F216-F220 HydrophobicContact CE2-CG 4.36Å; F216-F220 AromaticContact CG-CD2 3.91Å; F216-F220 HydrophobicContact CG-CD2 3.91Å; F216-F220 HydrophobicContact CZ-CB 4.34Å; F216-F220 HydrophobicContact CZ-CD2 4.06Å; F216-F220 HydrophobicContact CZ-CG 4.49Å; F216-F220 WeakPolarHBondContact O-CB 3.48Å; F216-F220 WeakPolarHBondContact O-CD2 3.34Å; F216-F220 PolarHBondContact O-N 3.33Å; E217-F220 PolarHBondContact O-N 3.47Å; F220-T222 PolarHBondContact O-N 2.95Å
221	A	92.1	Very high	94.3	Very high	27 Å²	27	62.3 Å²	62.3	22%	0.223	32%	0.32	C	S	.	.			trans	-67	134.8	175.2	0	0	0	0	0	111.5	E217 R223 V230	E217-A221 HydrophobicContact CG-CB 3.93Å; E217-A221 WeakPolarHBondContact O-CA 3.37Å; E217-A221 WeakPolarHBondContact O-CB 3.3Å; E217-A221 PolarHBondContact O-N 3.44Å; A221-R223 PolarHBondContact O-N 3.48Å; A221-V230 HydrophobicContact CB-CB 4.14Å; A221-V230 HydrophobicContact CB-CG1 3.62Å; A221-V230 HydrophobicContact CB-CG2 3.51Å
222	T	94.3	Very high	94	Very high	81 Å²	81	67.8 Å²	67.8	50%	0.497	36%	0.355	S	S	.	.			trans	-71.5	119.2	166.1	-53.8	0	0	0	0	108.5	F220 I231 P242	F220-T222 PolarHBondContact O-N 2.95Å; T222-I231 HydrophobicContact CG2-CD1 4.28Å; T222-I231 PolarHBondContact O-N 3.44Å; T222-P242 HydrophobicContact CG2-CB 3.36Å; T222-P242 HydrophobicContact CG2-CG 3.49Å; T222-P242 VanDerWaalsContact CG2-CG 3.49Å
223	R	95.6	Very high	93.7	Very high	76 Å²	76	71.6 Å²	71.6	29%	0.287	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-106.3	137	-178	-66.7	178.4	-175.7	-81.8	3.5	110.9	E218 A221 T225 Q229 V230 P242	E218-R223 IonicContact OE1-CZ 3.62Å; E218-R223 IonicContact OE1-NH2 3.03Å; E218-R223 PolarHBondContact OE1-NH2 3.12Å; E218-R223 IonicContact OE2-CZ 3.79Å; E218-R223 IonicContact OE2-NH2 3.69Å; E218-R223 PolarHBondContact OE2-NH2 3.43Å; A221-R223 PolarHBondContact O-N 3.48Å; R223-T225 PolarHBondContact O-N 2.88Å; R223-Q229 CarbonylContact C-O 3.57Å; R223-Q229 WeakPolarHBondContact CA-O 3.31Å; R223-V230 HydrophobicContact CG-CG2 4.35Å; R223-P242 WeakPolarHBondContact O-CG 3.48Å
224	C	97.2	Very high	93.5	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.394	C	S	.	.			trans	-63.5	134.3	178.3	169.7	0	0	0	0	111.7	K226 K228 Q229 I231 P242 H244 C247	C224-K226 VanDerWaalsContact C-N 3.28Å; C224-K226 PolarHBondContact O-N 2.92Å; C224-K226 PolarHBondContact SG-N 3.36Å; C224-K228 WeakPolarHBondContact O-CA 3.48Å; C224-K228 PolarHBondContact O-N 3.25Å; C224-Q229 PolarHBondContact N-O 2.87Å; C224-I231 HydrophobicContact CB-CD1 4.08Å; C224-I231 HydrophobicContact CB-CG1 3.97Å; C224-P242 CarbonylContact C-O 3.56Å; C224-P242 WeakPolarHBondContact CA-O 3.1Å; C224-H244 WeakPolarHBondContact CB-ND1 3.22Å; C224-H244 PolarHBondContact SG-N 3.4Å; C224-H244 VanDerWaalsContact SG-N 3.41Å; C224-C247 WeakPolarHBondContact SG-CB 2.98Å
225	T	95.3	Very high	93.5	Very high	32 Å²	32	70.6 Å²	70.6	20%	0.196	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.8	179	-59.8	0	0	0	0	113.2	R223 K228 E241 P242 W243	R223-T225 PolarHBondContact O-N 2.88Å; T225-K228 WeakPolarHBondContact O-CE 3.37Å; T225-K228 PolarHBondContact O-NZ 3.08Å; T225-E241 WeakPolarHBondContact OG1-CB 3.19Å; T225-P242 PolarHBondContact N-O 3.06Å; T225-P242 PolarHBondContact OG1-O 3.42Å; T225-W243 HydrophobicContact CG2-CH2 3.69Å; T225-W243 HydrophobicContact CG2-CZ2 3.53Å; T225-W243 HydrophobicContact CG2-CZ3 4.42Å
226	K	94.4	Very high	93.5	Very high	128 Å²	128	71.2 Å²	71.2	56%	0.557	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-61.9	179.3	-166.7	174.2	176.9	-177.8	0	113.1	C224 W243 C247	C224-K226 VanDerWaalsContact C-N 3.28Å; C224-K226 PolarHBondContact O-N 2.92Å; C224-K226 PolarHBondContact SG-N 3.36Å; K226-W243 HydrophobicContact CB-CE3 3.79Å; K226-W243 HydrophobicContact CB-CZ3 3.65Å; K226-W243 HydrophobicContact CG-CZ3 4.44Å; K226-C247 HydrophobicContact CB-CB 3.86Å; K226-C247 HydrophobicContact CD-CB 3.85Å; K226-C247 WeakPolarHBondContact CD-O 3.36Å; K226-C247 HydrophobicContact CG-CB 4.44Å
227	C	95.9	Very high	93.5	Very high	50 Å²	50	73.6 Å²	73.6	34%	0.338	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-7.8	-169	69.6	0	0	0	0	114	Q229 H244	C227-Q229 HydrophobicContact CB-CG 4.45Å; C227-Q229 PolarHBondContact O-N 3.12Å; C227-Q229 PolarHBondContact SG-N 3.42Å; C227-H244 VanDerWaalsContact SG-CE1 3.52Å; C227-H244 PolarHBondContact SG-ND1 2.87Å
228	K	94.9	Very high	93.6	Very high	130 Å²	130	69.9 Å²	69.9	57%	0.565	39%	0.387	S	S	*	.			trans	61.8	3.7	-176.3	-49.1	-54.2	-172.6	-168.5	0	115.4	C224 T225	C224-K228 WeakPolarHBondContact O-CA 3.48Å; C224-K228 PolarHBondContact O-N 3.25Å; T225-K228 WeakPolarHBondContact O-CE 3.37Å; T225-K228 PolarHBondContact O-NZ 3.08Å
229	Q	94.5	Very high	93.7	Very high	121 Å²	121	70 Å²	70	57%	0.565	38%	0.382	S	S	*	.			trans	-79.5	156	175.2	-58.9	-55.5	-46.3	0	0	111.7	R223 C224 C227 H244	R223-Q229 CarbonylContact C-O 3.57Å; R223-Q229 WeakPolarHBondContact CA-O 3.31Å; C224-Q229 PolarHBondContact N-O 2.87Å; C227-Q229 HydrophobicContact CB-CG 4.45Å; C227-Q229 PolarHBondContact O-N 3.12Å; C227-Q229 PolarHBondContact SG-N 3.42Å; Q229-H244 PolarHBondContact O-CE1 3.48Å
230	V	94.4	Very high	93.8	Very high	24 Å²	24	72.5 Å²	72.5	15%	0.145	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-65.2	134.7	179.2	174.6	0	0	0	0	110.9	E217 A221 R223 T232 H244	E217-V230 HydrophobicContact CG-CG1 4.49Å; E217-V230 HydrophobicContact CG-CG2 4.08Å; A221-V230 HydrophobicContact CB-CB 4.14Å; A221-V230 HydrophobicContact CB-CG1 3.62Å; A221-V230 HydrophobicContact CB-CG2 3.51Å; R223-V230 HydrophobicContact CG-CG2 4.35Å; V230-T232 HydrophobicContact CG1-CG2 4.11Å; V230-T232 PolarHBondContact O-N 2.77Å; V230-H244 PolarHBondContact O-NE2 3.34Å
231	I	95.3	Very high	93.9	Very high	28 Å²	28	74 Å²	74	14%	0.144	41%	0.408	C	S	.	.			trans	-87.3	98.7	171.3	-59.7	172.8	0	0	0	107.6	T222 C224 P242	T222-I231 HydrophobicContact CG2-CD1 4.28Å; T222-I231 PolarHBondContact O-N 3.44Å; C224-I231 HydrophobicContact CB-CD1 4.08Å; C224-I231 HydrophobicContact CB-CG1 3.97Å; I231-P242 HydrophobicContact CD1-CB 3.79Å
232	T	90.1	Very high	94.2	Very high	121 Å²	121	74.4 Å²	74.4	74%	0.742	41%	0.409	S	S	*	.			trans	-80.7	-28	-178.5	53.5	0	0	0	0	112.8	V230	V230-T232 HydrophobicContact CG1-CG2 4.11Å; V230-T232 PolarHBondContact O-N 2.77Å
233	S	89.6	Confident	94.3	Very high	97 Å²	97	72.6 Å²	72.6	68%	0.678	39%	0.393	S	S	*	.	S	Bend	trans	-160	152.6	177.1	69.2	0	0	0	0	111.7	G235	S233-G235 VanDerWaalsContact C-N 3.27Å; S233-G235 PolarHBondContact O-N 2.76Å; S233-G235 VanDerWaalsContact O-N 3.08Å
234	G	88	Confident	94.4	Very high	50 Å²	50	70 Å²	70	52%	0.515	38%	0.384	S	S	.	.	S	Bend	trans	63.4	18.5	164.4	0	0	0	0	0	117.1	R245	G234-R245 WeakPolarHBondContact O-CD 3.46Å; G234-R245 WeakPolarHBondContact O-CG 3.15Å
235	G	94	Very high	94.3	Very high	36 Å²	36	76.5 Å²	76.5	37%	0.371	41%	0.409	S	S	.	.			trans	-61.8	165.3	176	0	0	0	0	0	113.7	S233 W243	S233-G235 VanDerWaalsContact C-N 3.27Å; S233-G235 PolarHBondContact O-N 2.76Å; S233-G235 VanDerWaalsContact O-N 3.08Å; G235-W243 CarbonylContact C-O 3.55Å; G235-W243 VanDerWaalsContact CA-O 3.24Å; G235-W243 WeakPolarHBondContact CA-O 3.27Å
236	V	95.9	Very high	94.3	Very high	36 Å²	36	81.3 Å²	81.3	22%	0.218	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.2	173.3	-65.9	0	0	0	0	110.1	P242 W243 R245 F248 A258	V236-P242 CarbonylContact O-C 3.58Å; V236-W243 HydrophobicContact CG2-CB 4.06Å; V236-W243 PolarHBondContact N-O 2.87Å; V236-W243 PolarHBondContact O-N 2.93Å; V236-R245 HydrophobicContact CG1-CG 4.3Å; V236-F248 HydrophobicContact CG2-CB 3.69Å; V236-F248 HydrophobicContact CG2-CD1 3.98Å; V236-F248 HydrophobicContact CG2-CG 3.95Å; V236-A258 HydrophobicContact CG1-CB 3.78Å
237	T	95.6	Very high	94.3	Very high	105 Å²	105	76 Å²	76	64%	0.644	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	174.2	-55.5	0	0	0	0	108.9	E241	T237-E241 WeakPolarHBondContact CA-O 3.29Å
238	Y	94	Very high	94.4	Very high	31 Å²	31	74.1 Å²	74.1	12%	0.122	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.4	173.1	174.6	-114	0	0	0	108.1	N240 E241 F248 F262 S264	Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.3Å; Y238-E241 PolarHBondContact N-O 3.49Å; Y238-E241 WeakPolarHBondContact O-CA 3.29Å; Y238-E241 WeakPolarHBondContact O-CB 3.47Å; Y238-E241 PolarHBondContact O-N 3.07Å; Y238-F248 HydrophobicContact CD1-CD2 4.49Å; Y238-F248 AromaticContact CD1-CE2 3.63Å; Y238-F248 HydrophobicContact CD1-CE2 3.63Å; Y238-F248 HydrophobicContact CD1-CZ 4.33Å; Y238-F248 HydrophobicContact CD2-CE2 4.05Å; Y238-F248 AromaticContact CD2-CZ 3.92Å; Y238-F248 HydrophobicContact CD2-CZ 3.92Å; Y238-F248 HydrophobicContact CE1-CE2 4.31Å; Y238-F248 HydrophobicContact CG-CD2 4.41Å; Y238-F248 AromaticContact CG-CE2 3.47Å; Y238-F248 HydrophobicContact CG-CE2 3.47Å; Y238-F248 VanDerWaalsContact CG-CE2 3.47Å; Y238-F248 AromaticContact CG-CZ 3.81Å; Y238-F248 HydrophobicContact CG-CZ 3.81Å; Y238-F262 HydrophobicContact CD2-CE2 4.11Å; Y238-F262 AromaticContact CD2-CZ 3.95Å; Y238-F262 HydrophobicContact CD2-CZ 3.95Å; Y238-F262 AromaticContact CE2-CE2 3.7Å; Y238-F262 HydrophobicContact CE2-CE2 3.7Å; Y238-F262 AromaticContact CE2-CZ 3.96Å; Y238-F262 HydrophobicContact CE2-CZ 3.96Å; Y238-S264 WeakPolarHBondContact OH-CB 3.29Å
239	R	92.6	Very high	94.5	Very high	132 Å²	132	68.4 Å²	68.4	50%	0.498	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	43.5	-175.8	-58.1	177.2	69.4	132.2	-14.5	113.9	E241 D267	R239-E241 PolarHBondContact O-N 3.35Å; R239-E241 VanDerWaalsContact O-N 3.1Å; R239-D267 VanDerWaalsContact CZ-CG 3.42Å; R239-D267 IonicContact CZ-OD1 3.25Å; R239-D267 IonicContact CZ-OD2 3.37Å; R239-D267 IonicContact NH1-OD1 2.96Å; R239-D267 PolarHBondContact NH1-OD1 3.06Å; R239-D267 IonicContact NH1-OD2 2.67Å; R239-D267 IonicContact NH2-OD1 2.81Å; R239-D267 PolarHBondContact NH2-OD1 3.09Å; R239-D267 IonicContact NH2-OD2 3.95Å; R239-D267 PolarHBondContact NH2-OD2 3.29Å
240	N	93.3	Very high	94.6	Very high	158 Å²	158	62.8 Å²	62.8	85%	0.845	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	9.5	-175.1	-58.3	-29.3	0	0	0	115	Y238	Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.3Å
241	E	95.8	Very high	94.7	Very high	91 Å²	91	64.9 Å²	64.9	43%	0.425	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.3	174	-66	-169.4	143.3	0	0	110	T225 T237 Y238 R239 W243	T225-E241 WeakPolarHBondContact OG1-CB 3.19Å; T237-E241 WeakPolarHBondContact CA-O 3.29Å; Y238-E241 PolarHBondContact N-O 3.49Å; Y238-E241 WeakPolarHBondContact O-CA 3.29Å; Y238-E241 WeakPolarHBondContact O-CB 3.47Å; Y238-E241 PolarHBondContact O-N 3.07Å; R239-E241 PolarHBondContact O-N 3.35Å; R239-E241 VanDerWaalsContact O-N 3.1Å; E241-W243 PolarHBondContact O-NE1 3.32Å
242	P	97.2	Very high	94.7	Very high	35 Å²	35	67.9 Å²	67.9	23%	0.227	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.7	-178.5	34.9	-36.5	0	0	0	112.1	T222 R223 C224 T225 I231 V236	T222-P242 HydrophobicContact CG2-CB 3.36Å; T222-P242 HydrophobicContact CG2-CG 3.49Å; T222-P242 VanDerWaalsContact CG2-CG 3.49Å; R223-P242 WeakPolarHBondContact O-CG 3.48Å; C224-P242 CarbonylContact C-O 3.56Å; C224-P242 WeakPolarHBondContact CA-O 3.1Å; T225-P242 PolarHBondContact N-O 3.06Å; T225-P242 PolarHBondContact OG1-O 3.42Å; I231-P242 HydrophobicContact CD1-CB 3.79Å; V236-P242 CarbonylContact O-C 3.58Å
243	W	97.3	Very high	95	Very high	43 Å²	43	65.1 Å²	65.1	16%	0.163	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.5	-178.8	-53.9	73.9	0	0	0	110.9	T225 K226 G235 V236 E241 F248	T225-W243 HydrophobicContact CG2-CH2 3.69Å; T225-W243 HydrophobicContact CG2-CZ2 3.53Å; T225-W243 HydrophobicContact CG2-CZ3 4.42Å; K226-W243 HydrophobicContact CB-CE3 3.79Å; K226-W243 HydrophobicContact CB-CZ3 3.65Å; K226-W243 HydrophobicContact CG-CZ3 4.44Å; G235-W243 CarbonylContact C-O 3.55Å; G235-W243 VanDerWaalsContact CA-O 3.24Å; G235-W243 WeakPolarHBondContact CA-O 3.27Å; V236-W243 HydrophobicContact CG2-CB 4.06Å; V236-W243 PolarHBondContact N-O 2.87Å; V236-W243 PolarHBondContact O-N 2.93Å; E241-W243 PolarHBondContact O-NE1 3.32Å; W243-F248 HydrophobicContact CB-CB 3.92Å; W243-F248 HydrophobicContact CD2-CD2 4.39Å; W243-F248 HydrophobicContact CG-CB 4.36Å; W243-F248 HydrophobicContact CG-CD2 4.35Å
244	H	97.3	Very high	95.3	Very high	22 Å²	22	62.7 Å²	62.7	10%	0.102	35%	0.351	C	S	.	.			trans	-65	152	158.5	-61	100.5	0	0	0	109.8	C224 C227 Q229 V230 E246 C247 F248	C224-H244 WeakPolarHBondContact CB-ND1 3.22Å; C224-H244 PolarHBondContact SG-N 3.4Å; C224-H244 VanDerWaalsContact SG-N 3.41Å; C227-H244 VanDerWaalsContact SG-CE1 3.52Å; C227-H244 PolarHBondContact SG-ND1 2.87Å; Q229-H244 PolarHBondContact O-CE1 3.48Å; V230-H244 PolarHBondContact O-NE2 3.34Å; H244-E246 VanDerWaalsContact C-N 3.26Å; H244-E246 VanDerWaalsContact CB-CD 3.43Å; H244-E246 HydrophobicContact CB-CG 4.22Å; H244-E246 VanDerWaalsContact CB-OE1 3.28Å; H244-E246 WeakPolarHBondContact CB-OE1 3.34Å; H244-E246 IonicContact CD2-OE1 3.07Å; H244-E246 IonicContact CG-OE1 2.7Å; H244-E246 PolarHBondContact O-N 2.81Å; H244-C247 HydrophobicContact CB-CB 3.92Å; H244-C247 WeakPolarHBondContact O-CB 3.46Å; H244-C247 PolarHBondContact O-N 2.96Å; H244-F248 PolarHBondContact O-N 3.21Å
245	R	95.4	Very high	95.7	Very high	137 Å²	137	64.4 Å²	64.4	52%	0.517	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-41	-177.7	-58.7	-177	72.4	153.6	-1.8	111.6	G234 V236 A258	G234-R245 WeakPolarHBondContact O-CD 3.46Å; G234-R245 WeakPolarHBondContact O-CG 3.15Å; V236-R245 HydrophobicContact CG1-CG 4.3Å; R245-A258 HydrophobicContact CB-CB 3.83Å; R245-A258 HydrophobicContact CG-CB 4.13Å
246	E	93.9	Very high	95.7	Very high	132 Å²	132	64.2 Å²	64.2	62%	0.617	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26	176.6	65.5	-82	-169.8	0	0	112.9	H244	H244-E246 VanDerWaalsContact C-N 3.26Å; H244-E246 VanDerWaalsContact CB-CD 3.43Å; H244-E246 HydrophobicContact CB-CG 4.22Å; H244-E246 VanDerWaalsContact CB-OE1 3.28Å; H244-E246 WeakPolarHBondContact CB-OE1 3.34Å; H244-E246 IonicContact CD2-OE1 3.07Å; H244-E246 IonicContact CG-OE1 2.7Å; H244-E246 PolarHBondContact O-N 2.81Å
247	C	96.4	Very high	95.8	Very high	17 Å²	17	62.6 Å²	62.6	12%	0.115	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-31.8	174.5	-78.3	0	0	0	0	111.8	C224 K226 H244 G249	C224-C247 WeakPolarHBondContact SG-CB 2.98Å; K226-C247 HydrophobicContact CB-CB 3.86Å; K226-C247 HydrophobicContact CD-CB 3.85Å; K226-C247 WeakPolarHBondContact CD-O 3.36Å; K226-C247 HydrophobicContact CG-CB 4.44Å; H244-C247 HydrophobicContact CB-CB 3.92Å; H244-C247 WeakPolarHBondContact O-CB 3.46Å; H244-C247 PolarHBondContact O-N 2.96Å; C247-G249 VanDerWaalsContact C-N 3.26Å; C247-G249 PolarHBondContact O-N 3.19Å
248	F	96.9	Very high	95.7	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.044	32%	0.316	C	S	.	.	S	Bend	trans	-78.8	74.9	174.8	-171.9	-118.2	0	0	0	111	V236 Y238 W243 H244 L257 F262 P269	V236-F248 HydrophobicContact CG2-CB 3.69Å; V236-F248 HydrophobicContact CG2-CD1 3.98Å; V236-F248 HydrophobicContact CG2-CG 3.95Å; Y238-F248 HydrophobicContact CD1-CD2 4.49Å; Y238-F248 AromaticContact CD1-CE2 3.63Å; Y238-F248 HydrophobicContact CD1-CE2 3.63Å; Y238-F248 HydrophobicContact CD1-CZ 4.33Å; Y238-F248 HydrophobicContact CD2-CE2 4.05Å; Y238-F248 AromaticContact CD2-CZ 3.92Å; Y238-F248 HydrophobicContact CD2-CZ 3.92Å; Y238-F248 HydrophobicContact CE1-CE2 4.31Å; Y238-F248 HydrophobicContact CG-CD2 4.41Å; Y238-F248 AromaticContact CG-CE2 3.47Å; Y238-F248 HydrophobicContact CG-CE2 3.47Å; Y238-F248 VanDerWaalsContact CG-CE2 3.47Å; Y238-F248 AromaticContact CG-CZ 3.81Å; Y238-F248 HydrophobicContact CG-CZ 3.81Å; W243-F248 HydrophobicContact CB-CB 3.92Å; W243-F248 HydrophobicContact CD2-CD2 4.39Å; W243-F248 HydrophobicContact CG-CB 4.36Å; W243-F248 HydrophobicContact CG-CD2 4.35Å; H244-F248 PolarHBondContact O-N 3.21Å; F248-L257 HydrophobicContact CD1-CB 3.68Å; F248-L257 HydrophobicContact CE1-CB 3.52Å; F248-L257 HydrophobicContact CE1-CD1 4.36Å; F248-L257 HydrophobicContact CZ-CB 4.28Å; F248-L257 HydrophobicContact CZ-CD1 4.32Å; F248-L257 PolarHBondContact O-N 3.49Å; F248-F262 HydrophobicContact CE1-CD1 4.29Å; F248-F262 AromaticContact CE1-CE1 3.87Å; F248-F262 HydrophobicContact CE1-CE1 3.87Å; F248-F262 HydrophobicContact CE1-CE2 4.5Å; F248-F262 AromaticContact CE1-CZ 3.99Å; F248-F262 HydrophobicContact CE1-CZ 3.99Å; F248-F262 HydrophobicContact CZ-CD1 4.47Å; F248-F262 HydrophobicContact CZ-CD2 4.34Å; F248-F262 AromaticContact CZ-CE1 3.95Å; F248-F262 HydrophobicContact CZ-CE1 3.95Å; F248-F262 AromaticContact CZ-CE2 3.79Å; F248-F262 HydrophobicContact CZ-CE2 3.79Å; F248-F262 AromaticContact CZ-CZ 3.58Å; F248-F262 HydrophobicContact CZ-CZ 3.58Å; F248-P269 HydrophobicContact CD2-CG 4.49Å; F248-P269 HydrophobicContact CE2-CB 4Å; F248-P269 HydrophobicContact CE2-CG 3.87Å; F248-P269 HydrophobicContact CZ-CB 4.15Å; F248-P269 HydrophobicContact CZ-CG 4.49Å
249	G	96.5	Very high	95.7	Very high	10 Å²	10	60.9 Å²	60.9	10%	0.103	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-110.4	161.1	-178.5	0	0	0	0	0	113.5	C247 T251 T255	C247-G249 VanDerWaalsContact C-N 3.26Å; C247-G249 PolarHBondContact O-N 3.19Å; G249-T251 PolarHBondContact O-N 3.31Å; G249-T255 CarbonylContact C-O 3.57Å; G249-T255 VanDerWaalsContact CA-O 3.26Å; G249-T255 WeakPolarHBondContact CA-O 3.43Å
250	C	97.2	Very high	95.7	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.027	36%	0.355	C	S	.	.			trans	-56	131.9	170.4	178.3	0	0	0	0	110.1	N252 C253 G254 T255 L257 C271	C250-N252 PolarHBondContact O-N 3.05Å; C250-N252 PolarHBondContact SG-N 2.89Å; C250-C253 WeakPolarHBondContact CB-SG 3.33Å; C250-G254 WeakPolarHBondContact O-CA 3.45Å; C250-G254 PolarHBondContact O-N 3.03Å; C250-T255 PolarHBondContact N-O 3.24Å; C250-L257 HydrophobicContact CB-CD2 4.09Å; C250-L257 HydrophobicContact CB-CG 4.45Å; C250-C271 HydrophobicContact CB-CB 4.18Å; C250-C271 PolarHBondContact SG-N 2.85Å
251	T	96	Very high	95.6	Very high	67 Å²	67	63.3 Å²	63.3	41%	0.411	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.8	179.6	-58.4	0	0	0	0	112.3	G249 K268 P269 Y270	G249-T251 PolarHBondContact O-N 3.31Å; T251-K268 HydrophobicContact CG2-CB 4.23Å; T251-K268 HydrophobicContact CG2-CD 4.09Å; T251-K268 HydrophobicContact CG2-CG 4.49Å; T251-P269 WeakPolarHBondContact CB-O 3.45Å; T251-P269 PolarHBondContact N-O 3.13Å; T251-P269 PolarHBondContact OG1-O 2.9Å; T251-Y270 HydrophobicContact CG2-CE1 4.11Å
252	N	96.3	Very high	95.5	Very high	91 Å²	91	62.4 Å²	62.4	49%	0.487	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-55.9	-178.9	-172.8	57	0	0	0	113	C250 Y270 C274 L278	C250-N252 PolarHBondContact O-N 3.05Å; C250-N252 PolarHBondContact SG-N 2.89Å; N252-Y270 HydrophobicContact CB-CD1 4.16Å; N252-Y270 HydrophobicContact CB-CE1 4.36Å; N252-C274 HydrophobicContact CB-CB 3.85Å; N252-C274 PolarHBondContact ND2-SG 3.41Å; N252-L278 HydrophobicContact CB-CD1 3.81Å
253	C	96.8	Very high	95.3	Very high	63 Å²	63	63.6 Å²	63.6	43%	0.426	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-8.5	-173	64.9	0	0	0	0	114.7	C250 T255	C250-C253 WeakPolarHBondContact CB-SG 3.33Å; C253-T255 PolarHBondContact O-N 2.9Å; C253-T255 PolarHBondContact SG-OG1 2.82Å
254	G	95.2	Very high	95.1	Very high	47 Å²	47	64.4 Å²	64.4	49%	0.485	37%	0.367	S	S	.	.			trans	77.3	-10.7	-177.9	0	0	0	0	0	115.6	C250 G256	C250-G254 WeakPolarHBondContact O-CA 3.45Å; C250-G254 PolarHBondContact O-N 3.03Å; G254-G256 PolarHBondContact O-N 3.29Å
255	T	95.3	Very high	94.9	Very high	85 Å²	85	67 Å²	67	52%	0.521	38%	0.378	S	S	.	.			trans	-54.4	131.2	-179.1	-55.8	0	0	0	0	111.6	G249 C250 C253 L257	G249-T255 CarbonylContact C-O 3.57Å; G249-T255 VanDerWaalsContact CA-O 3.26Å; G249-T255 WeakPolarHBondContact CA-O 3.43Å; C250-T255 PolarHBondContact N-O 3.24Å; C253-T255 PolarHBondContact O-N 2.9Å; C253-T255 PolarHBondContact SG-OG1 2.82Å; T255-L257 PolarHBondContact O-N 3.03Å
256	G	95.4	Very high	94.8	Very high	33 Å²	33	66 Å²	66	34%	0.34	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-57	129.5	178.3	0	0	0	0	0	112.1	G254	G254-G256 PolarHBondContact O-N 3.29Å
257	L	96.7	Very high	94.6	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	38%	0.38	C	S	.	.			trans	-99.6	-5.4	-176.2	-61	178.9	0	0	0	113.1	F248 C250 T255 G259 Q260 F262 P269 C271	F248-L257 HydrophobicContact CD1-CB 3.68Å; F248-L257 HydrophobicContact CE1-CB 3.52Å; F248-L257 HydrophobicContact CE1-CD1 4.36Å; F248-L257 HydrophobicContact CZ-CB 4.28Å; F248-L257 HydrophobicContact CZ-CD1 4.32Å; F248-L257 PolarHBondContact O-N 3.49Å; C250-L257 HydrophobicContact CB-CD2 4.09Å; C250-L257 HydrophobicContact CB-CG 4.45Å; T255-L257 PolarHBondContact O-N 3.03Å; L257-G259 PolarHBondContact O-N 3.25Å; L257-Q260 PolarHBondContact O-N 2.81Å; L257-F262 HydrophobicContact CB-CB 4.41Å; L257-F262 HydrophobicContact CB-CD1 4.31Å; L257-F262 HydrophobicContact CB-CG 4.42Å; L257-F262 HydrophobicContact CD1-CB 3.88Å; L257-F262 HydrophobicContact CD1-CD2 4.28Å; L257-F262 HydrophobicContact CD1-CG 4.07Å; L257-F262 HydrophobicContact CD2-CB 3.92Å; L257-F262 HydrophobicContact CG-CB 4.29Å; L257-P269 HydrophobicContact CD1-CB 3.62Å; L257-P269 HydrophobicContact CD1-CG 4.15Å; L257-C271 HydrophobicContact CD2-CB 3.72Å
258	A	94.9	Very high	94.5	Very high	18 Å²	18	69.2 Å²	69.2	15%	0.149	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	109.6	179.5	0	0	0	0	0	111.4	V236 R245 Q260	V236-A258 HydrophobicContact CG1-CB 3.78Å; R245-A258 HydrophobicContact CB-CB 3.83Å; R245-A258 HydrophobicContact CG-CB 4.13Å; A258-Q260 VanDerWaalsContact C-N 3.32Å
259	G	92.5	Very high	94.4	Very high	82 Å²	82	69.6 Å²	69.6	85%	0.845	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	3.7	-176.8	0	0	0	0	0	114.8	L257	L257-G259 PolarHBondContact O-N 3.25Å
260	Q	92.6	Very high	94.4	Very high	128 Å²	128	70.2 Å²	70.2	60%	0.598	40%	0.401	S	S	*	.	S	Bend	trans	-102	159.3	177.3	-63.1	-61.7	-33.5	0	0	111.1	L257 A258	L257-Q260 PolarHBondContact O-N 2.81Å; A258-Q260 VanDerWaalsContact C-N 3.32Å
261	R	92.3	Very high	94.3	Very high	213 Å²	213	70.8 Å²	70.8	80%	0.804	40%	0.404	S	S	*	.			trans	-72.4	130.5	169.4	-76.1	-178.7	162.8	175.8	-4.3	110.1
262	F	94.1	Very high	94.2	Very high	71 Å²	71	69.2 Å²	69.2	31%	0.311	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.4	178.1	74.6	-89	0	0	0	110.4	Y238 F248 L257 P269 Y270	Y238-F262 HydrophobicContact CD2-CE2 4.11Å; Y238-F262 AromaticContact CD2-CZ 3.95Å; Y238-F262 HydrophobicContact CD2-CZ 3.95Å; Y238-F262 AromaticContact CE2-CE2 3.7Å; Y238-F262 HydrophobicContact CE2-CE2 3.7Å; Y238-F262 AromaticContact CE2-CZ 3.96Å; Y238-F262 HydrophobicContact CE2-CZ 3.96Å; F248-F262 HydrophobicContact CE1-CD1 4.29Å; F248-F262 AromaticContact CE1-CE1 3.87Å; F248-F262 HydrophobicContact CE1-CE1 3.87Å; F248-F262 HydrophobicContact CE1-CE2 4.5Å; F248-F262 AromaticContact CE1-CZ 3.99Å; F248-F262 HydrophobicContact CE1-CZ 3.99Å; F248-F262 HydrophobicContact CZ-CD1 4.47Å; F248-F262 HydrophobicContact CZ-CD2 4.34Å; F248-F262 AromaticContact CZ-CE1 3.95Å; F248-F262 HydrophobicContact CZ-CE1 3.95Å; F248-F262 AromaticContact CZ-CE2 3.79Å; F248-F262 HydrophobicContact CZ-CE2 3.79Å; F248-F262 AromaticContact CZ-CZ 3.58Å; F248-F262 HydrophobicContact CZ-CZ 3.58Å; L257-F262 HydrophobicContact CB-CB 4.41Å; L257-F262 HydrophobicContact CB-CD1 4.31Å; L257-F262 HydrophobicContact CB-CG 4.42Å; L257-F262 HydrophobicContact CD1-CB 3.88Å; L257-F262 HydrophobicContact CD1-CD2 4.28Å; L257-F262 HydrophobicContact CD1-CG 4.07Å; L257-F262 HydrophobicContact CD2-CB 3.92Å; L257-F262 HydrophobicContact CG-CB 4.29Å; F262-P269 HydrophobicContact CD2-CB 3.97Å; F262-P269 HydrophobicContact CE2-CB 4.2Å; F262-Y270 CarbonylContact C-O 3.58Å; F262-Y270 VanDerWaalsContact CA-O 3.27Å; F262-Y270 WeakPolarHBondContact CA-O 3.16Å; F262-Y270 VanDerWaalsContact CB-O 3.24Å; F262-Y270 WeakPolarHBondContact CB-O 3.34Å
263	T	92.1	Very high	94	Very high	61 Å²	61	72.5 Å²	72.5	37%	0.374	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.8	176	-55.9	0	0	0	0	108.9	Y270 F275	T263-Y270 PolarHBondContact N-O 3.16Å; T263-Y270 PolarHBondContact O-N 3.04Å; T263-F275 HydrophobicContact CG2-CD1 4.39Å; T263-F275 HydrophobicContact CG2-CD2 3.77Å; T263-F275 HydrophobicContact CG2-CE1 4.2Å; T263-F275 HydrophobicContact CG2-CE2 3.51Å; T263-F275 HydrophobicContact CG2-CG 4.21Å; T263-F275 HydrophobicContact CG2-CZ 3.76Å
264	S	93.6	Very high	94	Very high	60 Å²	60	70.2 Å²	70.2	42%	0.42	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.2	177.2	56.3	0	0	0	0	111.8	Y238 K268	Y238-S264 WeakPolarHBondContact OH-CB 3.29Å; S264-K268 VanDerWaalsContact CA-O 3.31Å; S264-K268 WeakPolarHBondContact CA-O 3.45Å
265	K	93.4	Very high	93.9	Very high	76 Å²	76	70.7 Å²	70.7	33%	0.33	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130	169.8	-165.2	-178.4	173.6	-70	0	108.5	D267 K268 Y270 F275 F279	K265-D267 PolarHBondContact O-N 3.04Å; K265-K268 PolarHBondContact N-O 3.49Å; K265-K268 WeakPolarHBondContact O-CB 3.38Å; K265-K268 PolarHBondContact O-N 3.05Å; K265-Y270 HydrophobicContact CB-CD2 4.3Å; K265-Y270 HydrophobicContact CB-CE2 3.96Å; K265-F275 HydrophobicContact CB-CE2 4Å; K265-F279 HydrophobicContact CB-CE2 4.43Å; K265-F279 HydrophobicContact CD-CD1 3.57Å; K265-F279 HydrophobicContact CD-CD2 3.84Å; K265-F279 HydrophobicContact CD-CE1 3.59Å; K265-F279 HydrophobicContact CD-CE2 3.86Å; K265-F279 HydrophobicContact CD-CG 3.71Å; K265-F279 HydrophobicContact CD-CZ 3.74Å
266	D	92.8	Very high	93.8	Very high	116 Å²	116	66.8 Å²	66.8	62%	0.62	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	46.2	-179.6	-45.7	-41.7	0	0	0	111.9	K268	D266-K268 PolarHBondContact O-N 3.09Å
267	D	90.6	Very high	93.6	Very high	104 Å²	104	70.2 Å²	70.2	56%	0.556	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	7	-178.2	-56.2	-13.7	0	0	0	116	R239 K265	R239-D267 VanDerWaalsContact CZ-CG 3.42Å; R239-D267 IonicContact CZ-OD1 3.25Å; R239-D267 IonicContact CZ-OD2 3.37Å; R239-D267 IonicContact NH1-OD1 2.96Å; R239-D267 PolarHBondContact NH1-OD1 3.06Å; R239-D267 IonicContact NH1-OD2 2.67Å; R239-D267 IonicContact NH2-OD1 2.81Å; R239-D267 PolarHBondContact NH2-OD1 3.09Å; R239-D267 IonicContact NH2-OD2 3.95Å; R239-D267 PolarHBondContact NH2-OD2 3.29Å; K265-D267 PolarHBondContact O-N 3.04Å
268	K	92.9	Very high	93.5	Very high	112 Å²	112	74 Å²	74	49%	0.487	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.9	178.1	-67.4	174.1	-175.5	-179.2	0	110.8	T251 S264 K265 D266 Y270	T251-K268 HydrophobicContact CG2-CB 4.23Å; T251-K268 HydrophobicContact CG2-CD 4.09Å; T251-K268 HydrophobicContact CG2-CG 4.49Å; S264-K268 VanDerWaalsContact CA-O 3.31Å; S264-K268 WeakPolarHBondContact CA-O 3.45Å; K265-K268 PolarHBondContact N-O 3.49Å; K265-K268 WeakPolarHBondContact O-CB 3.38Å; K265-K268 PolarHBondContact O-N 3.05Å; D266-K268 PolarHBondContact O-N 3.09Å; K268-Y270 HydrophobicContact CB-CE2 3.73Å; K268-Y270 WeakPolarHBondContact O-CD2 3.49Å; K268-Y270 VanDerWaalsContact O-CE2 3.23Å; K268-Y270 WeakPolarHBondContact O-CE2 3.49Å
269	P	95.7	Very high	93.3	Very high	19 Å²	19	76.7 Å²	76.7	12%	0.123	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.9	-179.9	34.9	-36.7	0	0	0	111.4	F248 T251 L257 F262	F248-P269 HydrophobicContact CD2-CG 4.49Å; F248-P269 HydrophobicContact CE2-CB 4Å; F248-P269 HydrophobicContact CE2-CG 3.87Å; F248-P269 HydrophobicContact CZ-CB 4.15Å; F248-P269 HydrophobicContact CZ-CG 4.49Å; T251-P269 WeakPolarHBondContact CB-O 3.45Å; T251-P269 PolarHBondContact N-O 3.13Å; T251-P269 PolarHBondContact OG1-O 2.9Å; L257-P269 HydrophobicContact CD1-CB 3.62Å; L257-P269 HydrophobicContact CD1-CG 4.15Å; F262-P269 HydrophobicContact CD2-CB 3.97Å; F262-P269 HydrophobicContact CE2-CB 4.2Å
270	Y	96.3	Very high	93.2	Very high	22 Å²	22	73.9 Å²	73.9	9%	0.086	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.1	177.7	-62.8	-95.1	0	0	0	109.6	T251 N252 F262 T263 K265 K268 F275 L278 F279	T251-Y270 HydrophobicContact CG2-CE1 4.11Å; N252-Y270 HydrophobicContact CB-CD1 4.16Å; N252-Y270 HydrophobicContact CB-CE1 4.36Å; F262-Y270 CarbonylContact C-O 3.58Å; F262-Y270 VanDerWaalsContact CA-O 3.27Å; F262-Y270 WeakPolarHBondContact CA-O 3.16Å; F262-Y270 VanDerWaalsContact CB-O 3.24Å; F262-Y270 WeakPolarHBondContact CB-O 3.34Å; T263-Y270 PolarHBondContact N-O 3.16Å; T263-Y270 PolarHBondContact O-N 3.04Å; K265-Y270 HydrophobicContact CB-CD2 4.3Å; K265-Y270 HydrophobicContact CB-CE2 3.96Å; K268-Y270 HydrophobicContact CB-CE2 3.73Å; K268-Y270 WeakPolarHBondContact O-CD2 3.49Å; K268-Y270 VanDerWaalsContact O-CE2 3.23Å; K268-Y270 WeakPolarHBondContact O-CE2 3.49Å; Y270-F275 HydrophobicContact CD2-CD2 4.46Å; Y270-L278 HydrophobicContact CD1-CD1 4.08Å; Y270-L278 HydrophobicContact CE1-CD1 3.96Å; Y270-F279 AromaticContact CD1-CE2 3.97Å; Y270-F279 HydrophobicContact CD1-CE2 3.97Å; Y270-F279 HydrophobicContact CD2-CE2 4.05Å; Y270-F279 AromaticContact CE1-CE2 3.83Å; Y270-F279 HydrophobicContact CE1-CE2 3.83Å; Y270-F279 AromaticContact CE1-CZ 3.95Å; Y270-F279 HydrophobicContact CE1-CZ 3.95Å; Y270-F279 AromaticContact CE2-CE2 3.91Å; Y270-F279 HydrophobicContact CE2-CE2 3.91Å; Y270-F279 HydrophobicContact CE2-CZ 4.19Å; Y270-F279 HydrophobicContact CG-CE2 4.09Å; Y270-F279 AromaticContact CZ-CE2 3.81Å; Y270-F279 AromaticContact CZ-CZ 3.76Å
271	C	95.7	Very high	93.1	Very high	16 Å²	16	73.1 Å²	73.1	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	155.7	168.3	69.7	0	0	0	0	110	C250 L257 E273 C274 F275	C250-C271 HydrophobicContact CB-CB 4.18Å; C250-C271 PolarHBondContact SG-N 2.85Å; L257-C271 HydrophobicContact CD2-CB 3.72Å; C271-E273 PolarHBondContact O-N 3.41Å; C271-C274 PolarHBondContact O-N 3.19Å; C271-C274 VanDerWaalsContact SG-CB 3.55Å; C271-C274 PolarHBondContact SG-N 3.06Å; C271-C274 VanDerWaalsContact SG-N 3.41Å; C271-C274 PolarHBondContact SG-SG 3.34Å; C271-F275 WeakPolarHBondContact O-CB 3.35Å; C271-F275 PolarHBondContact O-N 3.2Å
272	A	92.8	Very high	93.2	Very high	35 Å²	35	68.5 Å²	68.5	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-54	-38.9	-176.5	0	0	0	0	0	113.1	G276	A272-G276 PolarHBondContact O-N 2.96Å
273	E	93.1	Very high	93.2	Very high	160 Å²	160	65.2 Å²	65.2	75%	0.748	33%	0.328	S	S	*	.	H	α-helix	trans	-65.9	-52.9	178.3	-65	173.6	-177	0	0	112.1	C271 F275 G276 E277	C271-E273 PolarHBondContact O-N 3.41Å; E273-F275 VanDerWaalsContact C-N 3.32Å; E273-F275 PolarHBondContact O-N 2.86Å; E273-G276 PolarHBondContact O-N 3.37Å; E273-E277 PolarHBondContact O-N 3.28Å
274	C	95.7	Very high	93.2	Very high	14 Å²	14	66.4 Å²	66.4	10%	0.095	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-38.5	179.6	-72.5	0	0	0	0	111.8	N252 C271 G276 E277 L278	N252-C274 HydrophobicContact CB-CB 3.85Å; N252-C274 PolarHBondContact ND2-SG 3.41Å; C271-C274 PolarHBondContact O-N 3.19Å; C271-C274 VanDerWaalsContact SG-CB 3.55Å; C271-C274 PolarHBondContact SG-N 3.06Å; C271-C274 VanDerWaalsContact SG-N 3.41Å; C271-C274 PolarHBondContact SG-SG 3.34Å; C274-G276 VanDerWaalsContact C-N 3.32Å; C274-E277 PolarHBondContact O-N 3.47Å; C274-L278 VanDerWaalsContact O-CB 3.26Å; C274-L278 WeakPolarHBondContact O-CB 3.38Å; C274-L278 WeakPolarHBondContact O-CG 3.45Å; C274-L278 PolarHBondContact O-N 3.2Å
275	F	93.8	Very high	93.2	Very high	57 Å²	57	69.6 Å²	69.6	25%	0.25	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-44.8	175.6	-174.1	-84.8	0	0	0	111	T263 K265 Y270 C271 E273 F279	T263-F275 HydrophobicContact CG2-CD1 4.39Å; T263-F275 HydrophobicContact CG2-CD2 3.77Å; T263-F275 HydrophobicContact CG2-CE1 4.2Å; T263-F275 HydrophobicContact CG2-CE2 3.51Å; T263-F275 HydrophobicContact CG2-CG 4.21Å; T263-F275 HydrophobicContact CG2-CZ 3.76Å; K265-F275 HydrophobicContact CB-CE2 4Å; Y270-F275 HydrophobicContact CD2-CD2 4.46Å; C271-F275 WeakPolarHBondContact O-CB 3.35Å; C271-F275 PolarHBondContact O-N 3.2Å; E273-F275 VanDerWaalsContact C-N 3.32Å; E273-F275 PolarHBondContact O-N 2.86Å; F275-F279 HydrophobicContact CB-CD2 4.5Å; F275-F279 AromaticContact CD2-CD2 3.62Å; F275-F279 HydrophobicContact CD2-CD2 3.62Å; F275-F279 HydrophobicContact CD2-CE2 4.16Å; F275-F279 HydrophobicContact CE1-CB 4.47Å; F275-F279 AromaticContact CE2-CD2 3.91Å; F275-F279 HydrophobicContact CE2-CD2 3.91Å; F275-F279 HydrophobicContact CG-CD2 4Å; F275-F279 HydrophobicContact CZ-CB 4.45Å; F275-F279 HydrophobicContact CZ-CD2 4.48Å; F275-F279 WeakPolarHBondContact O-CB 3.48Å; F275-F279 PolarHBondContact O-N 2.8Å
276	G	91.9	Very high	93.2	Very high	3 Å²	3	67.9 Å²	67.9	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-58.3	-50.9	175.8	0	0	0	0	0	112.4	A272 E273 C274 L278 A280 P289	A272-G276 PolarHBondContact O-N 2.96Å; E273-G276 PolarHBondContact O-N 3.37Å; C274-G276 VanDerWaalsContact C-N 3.32Å; G276-L278 PolarHBondContact O-N 2.83Å; G276-A280 WeakPolarHBondContact O-CB 3.26Å; G276-A280 PolarHBondContact O-N 3.29Å; G276-P289 WeakPolarHBondContact O-CB 3.31Å
277	E	92.6	Very high	93.2	Very high	105 Å²	105	67 Å²	67	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-37.4	-177.8	-75	-59.7	158.4	0	0	114	E273 C274 R282 P289	E273-E277 PolarHBondContact O-N 3.28Å; C274-E277 PolarHBondContact O-N 3.47Å; E277-R282 PolarHBondContact O-NH2 2.93Å; E277-R282 IonicContact OE2-CZ 3.83Å; E277-R282 IonicContact OE2-NH1 3.65Å; E277-R282 IonicContact OE2-NH2 3.04Å; E277-R282 PolarHBondContact OE2-NH2 3.43Å; E277-P289 VanDerWaalsContact CD-CG 3.41Å; E277-P289 HydrophobicContact CG-CG 4.42Å; E277-P289 WeakPolarHBondContact OE1-CG 3.29Å; E277-P289 WeakPolarHBondContact OE2-CG 3.41Å
278	L	93.2	Very high	93.3	Very high	83 Å²	83	68.9 Å²	68.9	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-83.7	-32.7	-176.2	-67.4	173.3	0	0	0	113.5	N252 Y270 C274 G276	N252-L278 HydrophobicContact CB-CD1 3.81Å; Y270-L278 HydrophobicContact CD1-CD1 4.08Å; Y270-L278 HydrophobicContact CE1-CD1 3.96Å; C274-L278 VanDerWaalsContact O-CB 3.26Å; C274-L278 WeakPolarHBondContact O-CB 3.38Å; C274-L278 WeakPolarHBondContact O-CG 3.45Å; C274-L278 PolarHBondContact O-N 3.2Å; G276-L278 PolarHBondContact O-N 2.83Å
279	F	91.9	Very high	93.2	Very high	73 Å²	73	64.1 Å²	64.1	32%	0.32	32%	0.32	S	S	.	.	H	α-helix	trans	-128.8	-12.7	-165.7	-50.3	-61	0	0	0	115.2	K265 Y270 F275	K265-F279 HydrophobicContact CB-CE2 4.43Å; K265-F279 HydrophobicContact CD-CD1 3.57Å; K265-F279 HydrophobicContact CD-CD2 3.84Å; K265-F279 HydrophobicContact CD-CE1 3.59Å; K265-F279 HydrophobicContact CD-CE2 3.86Å; K265-F279 HydrophobicContact CD-CG 3.71Å; K265-F279 HydrophobicContact CD-CZ 3.74Å; Y270-F279 AromaticContact CD1-CE2 3.97Å; Y270-F279 HydrophobicContact CD1-CE2 3.97Å; Y270-F279 HydrophobicContact CD2-CE2 4.05Å; Y270-F279 AromaticContact CE1-CE2 3.83Å; Y270-F279 HydrophobicContact CE1-CE2 3.83Å; Y270-F279 AromaticContact CE1-CZ 3.95Å; Y270-F279 HydrophobicContact CE1-CZ 3.95Å; Y270-F279 AromaticContact CE2-CE2 3.91Å; Y270-F279 HydrophobicContact CE2-CE2 3.91Å; Y270-F279 HydrophobicContact CE2-CZ 4.19Å; Y270-F279 HydrophobicContact CG-CE2 4.09Å; Y270-F279 AromaticContact CZ-CE2 3.81Å; Y270-F279 AromaticContact CZ-CZ 3.76Å; F275-F279 HydrophobicContact CB-CD2 4.5Å; F275-F279 AromaticContact CD2-CD2 3.62Å; F275-F279 HydrophobicContact CD2-CD2 3.62Å; F275-F279 HydrophobicContact CD2-CE2 4.16Å; F275-F279 HydrophobicContact CE1-CB 4.47Å; F275-F279 AromaticContact CE2-CD2 3.91Å; F275-F279 HydrophobicContact CE2-CD2 3.91Å; F275-F279 HydrophobicContact CG-CD2 4Å; F275-F279 HydrophobicContact CZ-CB 4.45Å; F275-F279 HydrophobicContact CZ-CD2 4.48Å; F275-F279 WeakPolarHBondContact O-CB 3.48Å; F275-F279 PolarHBondContact O-N 2.8Å
280	A	90.8	Very high	93	Very high	23 Å²	23	64 Å²	64	19%	0.19	32%	0.318	C	S	.	.	S	Bend	trans	-75.9	147.8	178.5	0	0	0	0	0	111.4	G276 P289 T291	G276-A280 WeakPolarHBondContact O-CB 3.26Å; G276-A280 PolarHBondContact O-N 3.29Å; A280-P289 HydrophobicContact CB-CB 3.87Å; A280-T291 HydrophobicContact CB-CG2 4.4Å
281	K	90.6	Very high	92.6	Very high	113 Å²	113	65.5 Å²	65.5	49%	0.491	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.4	144.5	169.6	-58.9	-169.1	176.2	-177	0	109.2	I290 H305	K281-I290 WeakPolarHBondContact O-CB 3.42Å; K281-I290 PolarHBondContact O-N 3.34Å; K281-H305 HydrophobicContact CB-CB 4.5Å; K281-H305 VanDerWaalsContact CD-CD2 3.41Å; K281-H305 WeakPolarHBondContact CD-CD2 3.45Å; K281-H305 VanDerWaalsContact CD-CE1 3.49Å; K281-H305 WeakPolarHBondContact CD-CE1 3.47Å; K281-H305 WeakPolarHBondContact CD-NE2 3.45Å; K281-H305 PolarHBondContact NZ-CE1 2.97Å; K281-H305 PolarHBondContact NZ-NE2 2.75Å
282	R	93.4	Very high	91.5	Very high	115 Å²	115	68.7 Å²	68.7	43%	0.434	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-96.6	141.2	179.9	-68.5	-177.4	177.4	-80	-8.7	110.7	E277 T287	E277-R282 PolarHBondContact O-NH2 2.93Å; E277-R282 IonicContact OE2-CZ 3.83Å; E277-R282 IonicContact OE2-NH1 3.65Å; E277-R282 IonicContact OE2-NH2 3.04Å; E277-R282 PolarHBondContact OE2-NH2 3.43Å; R282-T287 PolarHBondContact NH1-O 3.15Å; R282-T287 VanDerWaalsContact NH1-O 3.12Å
283	C	94.3	Very high	90.2	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.014	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.1	131.1	173.1	175.2	0	0	0	0	109.7	E285 T287 K288 I290 H305 H307 C310	C283-E285 VanDerWaalsContact C-N 3.27Å; C283-E285 PolarHBondContact O-N 3.19Å; C283-E285 PolarHBondContact SG-N 3.24Å; C283-T287 WeakPolarHBondContact O-CA 3.07Å; C283-T287 PolarHBondContact O-N 3.21Å; C283-K288 PolarHBondContact N-O 3.3Å; C283-I290 HydrophobicContact CB-CD1 4.17Å; C283-I290 HydrophobicContact CB-CG1 4.02Å; C283-H305 CarbonylContact C-O 3.56Å; C283-H305 VanDerWaalsContact CA-O 3.29Å; C283-H305 WeakPolarHBondContact CA-O 3.33Å; C283-H307 VanDerWaalsContact CB-ND1 3.32Å; C283-H307 WeakPolarHBondContact CB-ND1 3.17Å; C283-C310 WeakPolarHBondContact SG-CB 2.91Å
284	I	92.8	Very high	88.6	Confident	87 Å²	87	67.4 Å²	67.4	45%	0.446	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.4	179.4	-62.2	-63.7	0	0	0	111.6	R304 H305	I284-R304 HydrophobicContact CG1-CB 4.02Å; I284-R304 HydrophobicContact CG1-CG 4.33Å; I284-H305 PolarHBondContact N-O 3.37Å
285	E	92.8	Very high	87.2	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.593	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-51.5	-176.8	-177.4	59.4	-155.5	0	0	112.9	C283 C310	C283-E285 VanDerWaalsContact C-N 3.27Å; C283-E285 PolarHBondContact O-N 3.19Å; C283-E285 PolarHBondContact SG-N 3.24Å; E285-C310 HydrophobicContact CB-CB 3.85Å; E285-C310 HydrophobicContact CG-CB 4.16Å
286	C	93.6	Very high	85.9	Confident	39 Å²	39	71.2 Å²	71.2	26%	0.264	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-1.7	-172.2	75.1	0	0	0	0	114.5	K288 H307	C286-K288 PolarHBondContact O-N 3.25Å; C286-H307 VanDerWaalsContact SG-CE1 3.5Å; C286-H307 PolarHBondContact SG-ND1 2.75Å; C286-H307 VanDerWaalsContact SG-ND1 3.38Å
287	T	93.3	Very high	85.4	Confident	99 Å²	99	79.5 Å²	79.5	61%	0.607	45%	0.446	S	S	*	.			trans	58.6	-2.5	-177.6	72	0	0	0	0	116.5	R282 C283	R282-T287 PolarHBondContact NH1-O 3.15Å; R282-T287 VanDerWaalsContact NH1-O 3.12Å; C283-T287 WeakPolarHBondContact O-CA 3.07Å; C283-T287 PolarHBondContact O-N 3.21Å
288	K	92.1	Very high	85.3	Confident	142 Å²	142	79 Å²	79	62%	0.617	44%	0.442	S	S	*	.			trans	-73.3	149.1	177	-63.7	175.6	-176	178.6	0	110.8	C283 C286	C283-K288 PolarHBondContact N-O 3.3Å; C286-K288 PolarHBondContact O-N 3.25Å
289	P	92	Very high	85.3	Confident	12 Å²	12	76.9 Å²	76.9	8%	0.078	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-64.3	143.1	176.6	-7.6	19.9	0	0	0	111.8	G276 E277 A280 T291 H307	G276-P289 WeakPolarHBondContact O-CB 3.31Å; E277-P289 VanDerWaalsContact CD-CG 3.41Å; E277-P289 HydrophobicContact CG-CG 4.42Å; E277-P289 WeakPolarHBondContact OE1-CG 3.29Å; E277-P289 WeakPolarHBondContact OE2-CG 3.41Å; A280-P289 HydrophobicContact CB-CB 3.87Å; P289-T291 HydrophobicContact CB-CG2 4.09Å; P289-T291 PolarHBondContact O-N 3.22Å; P289-H307 PolarHBondContact O-NE2 2.69Å
290	I	90.7	Very high	85.3	Confident	18 Å²	18	76.4 Å²	76.4	9%	0.092	44%	0.437	C	S	.	.			trans	-90.2	83	175	-57.4	166.9	0	0	0	108	K281 C283 F298 H305	K281-I290 WeakPolarHBondContact O-CB 3.42Å; K281-I290 PolarHBondContact O-N 3.34Å; C283-I290 HydrophobicContact CB-CD1 4.17Å; C283-I290 HydrophobicContact CB-CG1 4.02Å; I290-F298 HydrophobicContact CD1-CB 4.44Å; I290-F298 HydrophobicContact CG2-CB 3.56Å; I290-F298 HydrophobicContact CG2-CD1 4.11Å; I290-F298 HydrophobicContact CG2-CG 3.88Å; I290-H305 HydrophobicContact CD1-CB 3.53Å
291	T	87.1	Confident	85.4	Confident	52 Å²	52	78.7 Å²	78.7	32%	0.319	44%	0.443	S	S	.	.			trans	-86.3	135.8	179.9	64.3	0	0	0	0	110.8	A280 P289 V293	A280-T291 HydrophobicContact CB-CG2 4.4Å; P289-T291 HydrophobicContact CB-CG2 4.09Å; P289-T291 PolarHBondContact O-N 3.22Å; T291-V293 PolarHBondContact O-N 3.05Å
292	A	72.9	Confident	85.4	Confident	84 Å²	84	80.1 Å²	80.1	69%	0.694	45%	0.451	S	S	*	.			trans	-74.7	19.1	176.8	0	0	0	0	0	114.1	G294 G295	A292-G294 VanDerWaalsContact C-N 3.29Å; A292-G294 PolarHBondContact O-N 3.42Å; A292-G295 PolarHBondContact O-N 3.39Å
293	V	64.8	Low	85.3	Confident	98 Å²	98	81.8 Å²	81.8	59%	0.594	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	88	179.2	-177.1	0	0	0	0	108.1	T291	T291-V293 PolarHBondContact O-N 3.05Å
294	G	60.8	Low	85.3	Confident	69 Å²	69	83.6 Å²	83.6	71%	0.711	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.4	0.9	-176.4	0	0	0	0	0	115.5	A292 T296	A292-G294 VanDerWaalsContact C-N 3.29Å; A292-G294 PolarHBondContact O-N 3.42Å; G294-T296 PolarHBondContact O-N 3.31Å
295	G	65.1	Low	85.4	Confident	66 Å²	66	80.1 Å²	80.1	68%	0.68	46%	0.457	S	S	*	.			trans	69.9	15.8	179.4	0	0	0	0	0	114.2	A292 K297	A292-G295 PolarHBondContact O-N 3.39Å; G295-K297 PolarHBondContact O-N 3.35Å
296	T	66.8	Low	85.5	Confident	85 Å²	85	74.1 Å²	74.1	52%	0.521	43%	0.429	S	S	.	.			trans	-64.5	121.8	178.4	48.7	0	0	0	0	110.2	G294	G294-T296 PolarHBondContact O-N 3.31Å
297	K	82.1	Confident	85.5	Confident	177 Å²	177	74.5 Å²	74.5	77%	0.77	43%	0.426	S	S	*	.			trans	-59.9	156.2	168	-65.1	-179.3	-179.8	179.9	0	109.1	G295 N308	G295-K297 PolarHBondContact O-N 3.35Å; K297-N308 VanDerWaalsContact C-ND2 3.3Å; K297-N308 PolarHBondContact O-ND2 2.85Å
298	F	90.2	Very high	85.4	Confident	95 Å²	95	72.2 Å²	72.2	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.1	172.4	61.6	-84.2	0	0	0	108.9	I290 S300 H305 W306	I290-F298 HydrophobicContact CD1-CB 4.44Å; I290-F298 HydrophobicContact CG2-CB 3.56Å; I290-F298 HydrophobicContact CG2-CD1 4.11Å; I290-F298 HydrophobicContact CG2-CG 3.88Å; F298-S300 WeakPolarHBondContact CD2-OG 3.43Å; F298-S300 WeakPolarHBondContact CE2-OG 3.47Å; F298-H305 AromaticContact CE2-CD2 3.76Å; F298-W306 WeakPolarHBondContact CA-O 3.25Å; F298-W306 WeakPolarHBondContact CB-O 3.21Å
299	I	92.5	Very high	85.4	Confident	39 Å²	39	71.4 Å²	71.4	20%	0.2	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.6	177.3	-51.8	-56.4	0	0	0	107.5	H305 W306 F311 V321	I299-H305 WeakPolarHBondContact O-CA 3.02Å; I299-W306 HydrophobicContact CB-CB 4.49Å; I299-W306 HydrophobicContact CG2-CE3 4.5Å; I299-W306 PolarHBondContact N-O 2.8Å; I299-W306 PolarHBondContact O-N 3.42Å; I299-F311 HydrophobicContact CB-CB 4.26Å; I299-F311 HydrophobicContact CB-CD1 4.33Å; I299-F311 HydrophobicContact CB-CD2 4.13Å; I299-F311 HydrophobicContact CB-CG 3.99Å; I299-F311 HydrophobicContact CG1-CB 3.85Å; I299-F311 HydrophobicContact CG1-CD1 3.99Å; I299-F311 HydrophobicContact CG1-CG 3.88Å; I299-F311 HydrophobicContact CG2-CD1 3.91Å; I299-F311 HydrophobicContact CG2-CD2 3.8Å; I299-F311 HydrophobicContact CG2-CE1 3.92Å; I299-F311 HydrophobicContact CG2-CE2 3.8Å; I299-F311 HydrophobicContact CG2-CG 3.86Å; I299-F311 HydrophobicContact CG2-CZ 3.88Å; I299-V321 HydrophobicContact CD1-CG1 4.4Å; I299-V321 HydrophobicContact CD1-CG2 4.35Å; I299-V321 HydrophobicContact CG1-CG2 4.29Å
300	S	92.9	Very high	85.6	Confident	63 Å²	63	71.9 Å²	71.9	44%	0.441	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	174.7	-50.2	0	0	0	0	108.7	F298 R304 H305	F298-S300 WeakPolarHBondContact CD2-OG 3.43Å; F298-S300 WeakPolarHBondContact CE2-OG 3.47Å; S300-R304 WeakPolarHBondContact CA-O 3.36Å; S300-H305 PolarHBondContact OG-CD2 3.45Å
301	F	92.6	Very high	85.8	Confident	71 Å²	71	71.2 Å²	71.2	31%	0.311	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	123.4	170.8	179.2	-102.6	0	0	0	107.4	D303 R304 W306 F325 T327	F301-D303 PolarHBondContact O-N 3.49Å; F301-R304 PolarHBondContact N-O 2.81Å; F301-R304 WeakPolarHBondContact O-CA 3.38Å; F301-R304 WeakPolarHBondContact O-CB 3.28Å; F301-R304 PolarHBondContact O-N 2.62Å; F301-W306 HydrophobicContact CB-CH2 4.39Å; F301-W306 HydrophobicContact CB-CZ3 3.99Å; F301-F325 HydrophobicContact CB-CZ 4.03Å; F301-F325 AromaticContact CD1-CE2 3.96Å; F301-F325 HydrophobicContact CD1-CE2 3.96Å; F301-F325 HydrophobicContact CD1-CZ 4.03Å; F301-F325 HydrophobicContact CD2-CE2 4.33Å; F301-F325 AromaticContact CD2-CZ 3.63Å; F301-F325 HydrophobicContact CD2-CZ 3.63Å; F301-F325 HydrophobicContact CE1-CE2 4.2Å; F301-F325 HydrophobicContact CE1-CZ 4.42Å; F301-F325 HydrophobicContact CE2-CZ 4.04Å; F301-F325 HydrophobicContact CG-CE2 4.03Å; F301-F325 AromaticContact CG-CZ 3.6Å; F301-F325 HydrophobicContact CG-CZ 3.6Å; F301-F325 HydrophobicContact CZ-CE2 4.47Å; F301-F325 HydrophobicContact CZ-CZ 4.42Å; F301-T327 HydrophobicContact CD1-CG2 4.2Å; F301-T327 HydrophobicContact CE1-CG2 3.72Å
302	E	91.1	Very high	86.2	Confident	142 Å²	142	73.2 Å²	73.2	66%	0.664	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-129.4	-168	-57.9	172.4	168.3	0	0	110.3	R304	E302-R304 VanDerWaalsContact C-N 3.34Å
303	D	91.3	Very high	87.3	Confident	150 Å²	150	69.2 Å²	69.2	80%	0.802	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	7.9	175.3	-67.7	-45.4	0	0	0	113.5	F301 H305	F301-D303 PolarHBondContact O-N 3.49Å; D303-H305 PolarHBondContact O-CE1 2.89Å; D303-H305 PolarHBondContact O-ND1 3.15Å
304	R	93.7	Very high	88.8	Confident	40 Å²	40	67.2 Å²	67.2	15%	0.151	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.3	-179.2	-60.1	177.9	62.7	173.5	3.7	111.2	I284 S300 F301 E302 W306 P330	I284-R304 HydrophobicContact CG1-CB 4.02Å; I284-R304 HydrophobicContact CG1-CG 4.33Å; S300-R304 WeakPolarHBondContact CA-O 3.36Å; F301-R304 PolarHBondContact N-O 2.81Å; F301-R304 WeakPolarHBondContact O-CA 3.38Å; F301-R304 WeakPolarHBondContact O-CB 3.28Å; F301-R304 PolarHBondContact O-N 2.62Å; E302-R304 VanDerWaalsContact C-N 3.34Å; R304-W306 HydrophobicContact CB-CE3 4.31Å; R304-W306 HydrophobicContact CB-CH2 3.23Å; R304-W306 HydrophobicContact CB-CZ2 3.9Å; R304-W306 HydrophobicContact CB-CZ3 3.45Å; R304-W306 VanDerWaalsContact CB-CZ3 3.45Å; R304-W306 HydrophobicContact CG-CH2 4.19Å; R304-W306 VanDerWaalsContact CZ-CZ2 3.44Å; R304-W306 VanDerWaalsContact NE-CZ2 3.28Å; R304-W306 VanDerWaalsContact NH2-CZ2 3.33Å; R304-W306 WeakPolarHBondContact O-CZ3 3.4Å; R304-P330 PolarHBondContact NH1-O 3.26Å; R304-P330 PolarHBondContact NH2-O 2.75Å
305	H	94.7	Very high	90.4	Very high	14 Å²	14	69.5 Å²	69.5	7%	0.065	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.6	-172.5	-55.6	82.7	0	0	0	110.6	K281 C283 I284 I290 F298 I299 S300 D303	K281-H305 HydrophobicContact CB-CB 4.5Å; K281-H305 VanDerWaalsContact CD-CD2 3.41Å; K281-H305 WeakPolarHBondContact CD-CD2 3.45Å; K281-H305 VanDerWaalsContact CD-CE1 3.49Å; K281-H305 WeakPolarHBondContact CD-CE1 3.47Å; K281-H305 WeakPolarHBondContact CD-NE2 3.45Å; K281-H305 PolarHBondContact NZ-CE1 2.97Å; K281-H305 PolarHBondContact NZ-NE2 2.75Å; C283-H305 CarbonylContact C-O 3.56Å; C283-H305 VanDerWaalsContact CA-O 3.29Å; C283-H305 WeakPolarHBondContact CA-O 3.33Å; I284-H305 PolarHBondContact N-O 3.37Å; I290-H305 HydrophobicContact CD1-CB 3.53Å; F298-H305 AromaticContact CE2-CD2 3.76Å; I299-H305 WeakPolarHBondContact O-CA 3.02Å; S300-H305 PolarHBondContact OG-CD2 3.45Å; D303-H305 PolarHBondContact O-CE1 2.89Å; D303-H305 PolarHBondContact O-ND1 3.15Å
306	W	94.6	Very high	91.9	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.4	178	-59.1	-104.8	0	0	0	111.2	F298 I299 F301 R304 C310 F311 I332	F298-W306 WeakPolarHBondContact CA-O 3.25Å; F298-W306 WeakPolarHBondContact CB-O 3.21Å; I299-W306 HydrophobicContact CB-CB 4.49Å; I299-W306 HydrophobicContact CG2-CE3 4.5Å; I299-W306 PolarHBondContact N-O 2.8Å; I299-W306 PolarHBondContact O-N 3.42Å; F301-W306 HydrophobicContact CB-CH2 4.39Å; F301-W306 HydrophobicContact CB-CZ3 3.99Å; R304-W306 HydrophobicContact CB-CE3 4.31Å; R304-W306 HydrophobicContact CB-CH2 3.23Å; R304-W306 HydrophobicContact CB-CZ2 3.9Å; R304-W306 HydrophobicContact CB-CZ3 3.45Å; R304-W306 VanDerWaalsContact CB-CZ3 3.45Å; R304-W306 HydrophobicContact CG-CH2 4.19Å; R304-W306 VanDerWaalsContact CZ-CZ2 3.44Å; R304-W306 VanDerWaalsContact NE-CZ2 3.28Å; R304-W306 VanDerWaalsContact NH2-CZ2 3.33Å; R304-W306 WeakPolarHBondContact O-CZ3 3.4Å; W306-C310 HydrophobicContact CB-CB 4.32Å; W306-F311 HydrophobicContact CB-CB 4.05Å; W306-F311 HydrophobicContact CB-CD2 4.15Å; W306-F311 AromaticContact CD2-CD2 3.71Å; W306-F311 HydrophobicContact CD2-CD2 3.71Å; W306-F311 HydrophobicContact CD2-CE2 4.17Å; W306-F311 AromaticContact CE3-CD2 3.88Å; W306-F311 HydrophobicContact CE3-CD2 3.88Å; W306-F311 HydrophobicContact CE3-CE2 4.03Å; W306-F311 HydrophobicContact CG-CB 4.48Å; W306-F311 AromaticContact CG-CD2 3.86Å; W306-F311 HydrophobicContact CG-CD2 3.86Å; W306-F311 HydrophobicContact CH2-CE2 4.28Å; W306-F311 HydrophobicContact CZ2-CE2 4.4Å; W306-F311 HydrophobicContact CZ3-CD2 4.43Å; W306-F311 HydrophobicContact CZ3-CE2 4.12Å; W306-I332 HydrophobicContact CH2-CG2 4.39Å; W306-I332 HydrophobicContact CZ2-CD1 3.92Å; W306-I332 HydrophobicContact CZ2-CG2 3.99Å
307	H	93.3	Very high	93.2	Very high	46 Å²	46	69.3 Å²	69.3	21%	0.213	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	151.6	156.6	-55.3	106.7	0	0	0	109.1	C283 C286 P289 D309 C310 F311	C283-H307 VanDerWaalsContact CB-ND1 3.32Å; C283-H307 WeakPolarHBondContact CB-ND1 3.17Å; C286-H307 VanDerWaalsContact SG-CE1 3.5Å; C286-H307 PolarHBondContact SG-ND1 2.75Å; C286-H307 VanDerWaalsContact SG-ND1 3.38Å; P289-H307 PolarHBondContact O-NE2 2.69Å; H307-D309 PolarHBondContact O-N 2.89Å; H307-C310 HydrophobicContact CB-CB 3.99Å; H307-C310 WeakPolarHBondContact O-CA 3.24Å; H307-C310 WeakPolarHBondContact O-CB 3.29Å; H307-C310 PolarHBondContact O-N 3.13Å; H307-F311 PolarHBondContact O-N 3.25Å; H307-F311 VanDerWaalsContact O-N 3.13Å
308	N	92.5	Very high	93.9	Very high	51 Å²	51	63.2 Å²	63.2	27%	0.273	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-51.4	-45.2	175.5	-94.7	-80	0	0	0	111.5	K297 C310 F311 V321	K297-N308 VanDerWaalsContact C-ND2 3.3Å; K297-N308 PolarHBondContact O-ND2 2.85Å; N308-C310 PolarHBondContact O-N 2.98Å; N308-F311 PolarHBondContact O-N 3.33Å; N308-V321 WeakPolarHBondContact O-CG2 3.43Å; N308-V321 WeakPolarHBondContact OD1-CG1 3.46Å
309	D	92.6	Very high	94.1	Very high	126 Å²	126	61.8 Å²	61.8	67%	0.674	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-73.7	-11.5	-179.9	-57.4	-35	0	0	0	114.1	H307 K312	H307-D309 PolarHBondContact O-N 2.89Å; D309-K312 WeakPolarHBondContact O-CD 3.15Å; D309-K312 WeakPolarHBondContact O-CE 3.36Å; D309-K312 PolarHBondContact O-NZ 2.95Å
310	C	94.4	Very high	94.3	Very high	21 Å²	21	60 Å²	60	14%	0.142	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-98.3	-9.7	177.4	-72.2	0	0	0	0	112.5	C283 E285 W306 H307 N308 K312	C283-C310 WeakPolarHBondContact SG-CB 2.91Å; E285-C310 HydrophobicContact CB-CB 3.85Å; E285-C310 HydrophobicContact CG-CB 4.16Å; W306-C310 HydrophobicContact CB-CB 4.32Å; H307-C310 HydrophobicContact CB-CB 3.99Å; H307-C310 WeakPolarHBondContact O-CA 3.24Å; H307-C310 WeakPolarHBondContact O-CB 3.29Å; H307-C310 PolarHBondContact O-N 3.13Å; N308-C310 PolarHBondContact O-N 2.98Å; C310-K312 VanDerWaalsContact C-N 3.32Å; C310-K312 PolarHBondContact O-N 3.31Å
311	F	95.5	Very high	94.2	Very high	5 Å²	5	59.6 Å²	59.6	2%	0.022	33%	0.331	C	S	.	.			trans	-83.9	79.6	179.5	-166.4	-117.3	0	0	0	110.1	I299 W306 H307 N308 L320 V321 F325 I332	I299-F311 HydrophobicContact CB-CB 4.26Å; I299-F311 HydrophobicContact CB-CD1 4.33Å; I299-F311 HydrophobicContact CB-CD2 4.13Å; I299-F311 HydrophobicContact CB-CG 3.99Å; I299-F311 HydrophobicContact CG1-CB 3.85Å; I299-F311 HydrophobicContact CG1-CD1 3.99Å; I299-F311 HydrophobicContact CG1-CG 3.88Å; I299-F311 HydrophobicContact CG2-CD1 3.91Å; I299-F311 HydrophobicContact CG2-CD2 3.8Å; I299-F311 HydrophobicContact CG2-CE1 3.92Å; I299-F311 HydrophobicContact CG2-CE2 3.8Å; I299-F311 HydrophobicContact CG2-CG 3.86Å; I299-F311 HydrophobicContact CG2-CZ 3.88Å; W306-F311 HydrophobicContact CB-CB 4.05Å; W306-F311 HydrophobicContact CB-CD2 4.15Å; W306-F311 AromaticContact CD2-CD2 3.71Å; W306-F311 HydrophobicContact CD2-CD2 3.71Å; W306-F311 HydrophobicContact CD2-CE2 4.17Å; W306-F311 AromaticContact CE3-CD2 3.88Å; W306-F311 HydrophobicContact CE3-CD2 3.88Å; W306-F311 HydrophobicContact CE3-CE2 4.03Å; W306-F311 HydrophobicContact CG-CB 4.48Å; W306-F311 AromaticContact CG-CD2 3.86Å; W306-F311 HydrophobicContact CG-CD2 3.86Å; W306-F311 HydrophobicContact CH2-CE2 4.28Å; W306-F311 HydrophobicContact CZ2-CE2 4.4Å; W306-F311 HydrophobicContact CZ3-CD2 4.43Å; W306-F311 HydrophobicContact CZ3-CE2 4.12Å; H307-F311 PolarHBondContact O-N 3.25Å; H307-F311 VanDerWaalsContact O-N 3.13Å; N308-F311 PolarHBondContact O-N 3.33Å; F311-L320 VanDerWaalsContact CD1-C 3.48Å; F311-L320 HydrophobicContact CD1-CB 3.48Å; F311-L320 VanDerWaalsContact CD1-CB 3.48Å; F311-L320 HydrophobicContact CE1-CB 3.35Å; F311-L320 WeakPolarHBondContact CE1-O 3.29Å; F311-L320 HydrophobicContact CG-CB 4.27Å; F311-L320 HydrophobicContact CZ-CB 4.07Å; F311-L320 PolarHBondContact O-N 2.97Å; F311-V321 HydrophobicContact CB-CG2 4.12Å; F311-V321 HydrophobicContact CD1-CG2 4.12Å; F311-F325 HydrophobicContact CE1-CD1 4.15Å; F311-F325 HydrophobicContact CE1-CE1 4.43Å; F311-F325 AromaticContact CZ-CD1 3.65Å; F311-F325 HydrophobicContact CZ-CD1 3.65Å; F311-F325 HydrophobicContact CZ-CD2 4.35Å; F311-F325 AromaticContact CZ-CE1 3.74Å; F311-F325 HydrophobicContact CZ-CE1 3.74Å; F311-F325 HydrophobicContact CZ-CE2 4.42Å; F311-F325 AromaticContact CZ-CG 3.98Å; F311-F325 HydrophobicContact CZ-CG 3.98Å; F311-F325 HydrophobicContact CZ-CZ 4.13Å; F311-I332 HydrophobicContact CD2-CD1 3.49Å; F311-I332 VanDerWaalsContact CD2-CD1 3.49Å; F311-I332 HydrophobicContact CE2-CD1 3.4Å; F311-I332 VanDerWaalsContact CE2-CD1 3.4Å; F311-I332 HydrophobicContact CG-CD1 4.41Å; F311-I332 HydrophobicContact CZ-CD1 4.25Å
312	K	96	Very high	94.2	Very high	93 Å²	93	60 Å²	60	40%	0.404	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-128.6	150.6	-171.3	-70.6	170.6	170.2	155	0	111.4	D309 C310 A314 A318 I332	D309-K312 WeakPolarHBondContact O-CD 3.15Å; D309-K312 WeakPolarHBondContact O-CE 3.36Å; D309-K312 PolarHBondContact O-NZ 2.95Å; C310-K312 VanDerWaalsContact C-N 3.32Å; C310-K312 PolarHBondContact O-N 3.31Å; K312-A314 PolarHBondContact O-N 3.47Å; K312-A318 CarbonylContact C-O 3.52Å; K312-A318 VanDerWaalsContact CA-O 3.25Å; K312-A318 WeakPolarHBondContact CA-O 3.47Å; K312-I332 WeakPolarHBondContact O-CG1 3.43Å
313	C	96.8	Very high	94.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	35%	0.353	C	S	.	.			trans	-62.7	126.8	174.2	176.9	0	0	0	0	110.3	Q315 C316 S317 A318 L320 I332 C334 C337	C313-Q315 PolarHBondContact O-N 2.93Å; C313-Q315 VanDerWaalsContact O-N 3.1Å; C313-C316 WeakPolarHBondContact CB-SG 3.04Å; C313-S317 VanDerWaalsContact O-CA 3.24Å; C313-S317 WeakPolarHBondContact O-CA 3.32Å; C313-S317 PolarHBondContact O-N 3.27Å; C313-A318 PolarHBondContact N-O 2.9Å; C313-L320 HydrophobicContact CB-CD1 4.38Å; C313-L320 HydrophobicContact CB-CD2 4.16Å; C313-L320 HydrophobicContact CB-CG 4.32Å; C313-I332 CarbonylContact C-O 3.58Å; C313-I332 WeakPolarHBondContact CA-O 3.46Å; C313-C334 HydrophobicContact CB-CB 4.15Å; C313-C334 PolarHBondContact SG-N 3.22Å; C313-C337 VanDerWaalsContact SG-SG 3.68Å
314	A	94.8	Very high	94.1	Very high	56 Å²	56	54.5 Å²	54.5	46%	0.463	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.6	-179.7	0	0	0	0	0	113.3	K312 D331 I332 L333	K312-A314 PolarHBondContact O-N 3.47Å; A314-D331 HydrophobicContact CB-CB 3.81Å; A314-I332 PolarHBondContact N-O 3.5Å; A314-L333 HydrophobicContact CB-CD2 4.11Å
315	Q	94.4	Very high	94.2	Very high	116 Å²	116	55.4 Å²	55.4	54%	0.542	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-38.9	-176.3	-172.2	161.7	-7.4	0	0	114.3	C313 L333 C337	C313-Q315 PolarHBondContact O-N 2.93Å; C313-Q315 VanDerWaalsContact O-N 3.1Å; Q315-L333 HydrophobicContact CB-CD2 3.92Å; Q315-C337 HydrophobicContact CB-CB 4.02Å; Q315-C337 HydrophobicContact CG-CB 4.41Å
316	C	96.5	Very high	94.2	Very high	63 Å²	63	58.2 Å²	58.2	43%	0.426	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-1.8	-177.2	70.6	0	0	0	0	114.5	C313 A318	C313-C316 WeakPolarHBondContact CB-SG 3.04Å; C316-A318 PolarHBondContact O-N 3.31Å; C316-A318 VanDerWaalsContact SG-CB 3.5Å
317	S	95.7	Very high	94.2	Very high	85 Å²	85	61.2 Å²	61.2	59%	0.594	38%	0.375	S	S	*	.			trans	58.8	7.5	-176.9	-60.3	0	0	0	0	115.8	C313	C313-S317 VanDerWaalsContact O-CA 3.24Å; C313-S317 WeakPolarHBondContact O-CA 3.32Å; C313-S317 PolarHBondContact O-N 3.27Å
318	A	95.2	Very high	94	Very high	48 Å²	48	61.8 Å²	61.8	40%	0.397	38%	0.38	S	S	.	.			trans	-64.2	141.7	175.2	0	0	0	0	0	110.7	K312 C313 C316 L320	K312-A318 CarbonylContact C-O 3.52Å; K312-A318 VanDerWaalsContact CA-O 3.25Å; K312-A318 WeakPolarHBondContact CA-O 3.47Å; C313-A318 PolarHBondContact N-O 2.9Å; C316-A318 PolarHBondContact O-N 3.31Å; C316-A318 VanDerWaalsContact SG-CB 3.5Å; A318-L320 PolarHBondContact O-N 3.16Å
319	S	95.5	Very high	93.8	Very high	65 Å²	65	62.3 Å²	62.3	46%	0.455	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-61.5	129.2	174.3	-177.6	0	0	0	0	110.3	V321	S319-V321 PolarHBondContact OG-N 2.98Å
320	L	95.4	Very high	93.7	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	40%	0.397	C	S	.	.			trans	-94.7	0.8	175.4	-64.3	174.8	0	0	0	111.8	F311 C313 A318 G322 Q323 F325 I332 C334	F311-L320 VanDerWaalsContact CD1-C 3.48Å; F311-L320 HydrophobicContact CD1-CB 3.48Å; F311-L320 VanDerWaalsContact CD1-CB 3.48Å; F311-L320 HydrophobicContact CE1-CB 3.35Å; F311-L320 WeakPolarHBondContact CE1-O 3.29Å; F311-L320 HydrophobicContact CG-CB 4.27Å; F311-L320 HydrophobicContact CZ-CB 4.07Å; F311-L320 PolarHBondContact O-N 2.97Å; C313-L320 HydrophobicContact CB-CD1 4.38Å; C313-L320 HydrophobicContact CB-CD2 4.16Å; C313-L320 HydrophobicContact CB-CG 4.32Å; A318-L320 PolarHBondContact O-N 3.16Å; L320-G322 PolarHBondContact O-N 2.9Å; L320-Q323 PolarHBondContact O-N 2.87Å; L320-F325 HydrophobicContact CD1-CB 3.96Å; L320-F325 HydrophobicContact CD2-CB 4.28Å; L320-I332 HydrophobicContact CD1-CB 4.08Å; L320-I332 HydrophobicContact CD1-CD1 3.75Å; L320-I332 HydrophobicContact CD1-CG1 3.81Å; L320-C334 HydrophobicContact CD2-CB 3.57Å
321	V	92.6	Very high	93.6	Very high	54 Å²	54	63.4 Å²	63.4	33%	0.327	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	120.1	-179.4	179.5	0	0	0	0	109.8	I299 N308 F311 S319 Q323	I299-V321 HydrophobicContact CD1-CG1 4.4Å; I299-V321 HydrophobicContact CD1-CG2 4.35Å; I299-V321 HydrophobicContact CG1-CG2 4.29Å; N308-V321 WeakPolarHBondContact O-CG2 3.43Å; N308-V321 WeakPolarHBondContact OD1-CG1 3.46Å; F311-V321 HydrophobicContact CB-CG2 4.12Å; F311-V321 HydrophobicContact CD1-CG2 4.12Å; S319-V321 PolarHBondContact OG-N 2.98Å; V321-Q323 PolarHBondContact O-N 3.14Å
322	G	91.5	Very high	93.5	Very high	80 Å²	80	63.5 Å²	63.5	83%	0.825	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	4.1	-177.2	0	0	0	0	0	114.7	L320	L320-G322 PolarHBondContact O-N 2.9Å
323	Q	89.6	Confident	93.5	Very high	131 Å²	131	59.3 Å²	59.3	61%	0.612	39%	0.39	S	S	*	.	S	Bend	trans	-104.9	154.8	175.2	-61.6	-66.2	-31.6	0	0	110	L320 V321	L320-Q323 PolarHBondContact O-N 2.87Å; V321-Q323 PolarHBondContact O-N 3.14Å
324	G	91.5	Very high	93.5	Very high	46 Å²	46	60.1 Å²	60.1	47%	0.474	40%	0.396	S	S	.	.			trans	-63.8	150.8	165.1	0	0	0	0	0	110.4	P335	G324-P335 VanDerWaalsContact O-CD 3.28Å; G324-P335 WeakPolarHBondContact O-CD 3.31Å
325	F	95.7	Very high	93.5	Very high	59 Å²	59	60.2 Å²	60.2	26%	0.259	39%	0.392	S	S	.	.			trans	-143.9	159.5	175.3	66.5	-83.6	0	0	0	110	F301 F311 L320 T327 I332 L333	F301-F325 HydrophobicContact CB-CZ 4.03Å; F301-F325 AromaticContact CD1-CE2 3.96Å; F301-F325 HydrophobicContact CD1-CE2 3.96Å; F301-F325 HydrophobicContact CD1-CZ 4.03Å; F301-F325 HydrophobicContact CD2-CE2 4.33Å; F301-F325 AromaticContact CD2-CZ 3.63Å; F301-F325 HydrophobicContact CD2-CZ 3.63Å; F301-F325 HydrophobicContact CE1-CE2 4.2Å; F301-F325 HydrophobicContact CE1-CZ 4.42Å; F301-F325 HydrophobicContact CE2-CZ 4.04Å; F301-F325 HydrophobicContact CG-CE2 4.03Å; F301-F325 AromaticContact CG-CZ 3.6Å; F301-F325 HydrophobicContact CG-CZ 3.6Å; F301-F325 HydrophobicContact CZ-CE2 4.47Å; F301-F325 HydrophobicContact CZ-CZ 4.42Å; F311-F325 HydrophobicContact CE1-CD1 4.15Å; F311-F325 HydrophobicContact CE1-CE1 4.43Å; F311-F325 AromaticContact CZ-CD1 3.65Å; F311-F325 HydrophobicContact CZ-CD1 3.65Å; F311-F325 HydrophobicContact CZ-CD2 4.35Å; F311-F325 AromaticContact CZ-CE1 3.74Å; F311-F325 HydrophobicContact CZ-CE1 3.74Å; F311-F325 HydrophobicContact CZ-CE2 4.42Å; F311-F325 AromaticContact CZ-CG 3.98Å; F311-F325 HydrophobicContact CZ-CG 3.98Å; F311-F325 HydrophobicContact CZ-CZ 4.13Å; L320-F325 HydrophobicContact CD1-CB 3.96Å; L320-F325 HydrophobicContact CD2-CB 4.28Å; F325-T327 HydrophobicContact CD2-CG2 4.4Å; F325-T327 HydrophobicContact CE2-CG2 4.04Å; F325-I332 HydrophobicContact CD2-CB 4.45Å; F325-I332 HydrophobicContact CD2-CG2 4.26Å; F325-L333 CarbonylContact C-O 3.57Å; F325-L333 WeakPolarHBondContact CA-O 3.19Å
326	I	94.8	Very high	93.6	Very high	73 Å²	73	61.3 Å²	61.3	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.2	176.8	-63.1	77	0	0	0	107.3	L333 P335 A338	I326-L333 PolarHBondContact N-O 3.14Å; I326-L333 PolarHBondContact O-N 2.95Å; I326-P335 HydrophobicContact CD1-CB 4.14Å; I326-P335 HydrophobicContact CD1-CG 4.09Å; I326-A338 HydrophobicContact CB-CB 3.81Å; I326-A338 HydrophobicContact CD1-CB 3.79Å; I326-A338 HydrophobicContact CG1-CB 3.83Å; I326-A338 HydrophobicContact CG2-CB 4.23Å
327	T	93.2	Very high	93.6	Very high	64 Å²	64	59 Å²	59	39%	0.393	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.4	171	48.9	0	0	0	0	109.8	F301 F325 I332	F301-T327 HydrophobicContact CD1-CG2 4.2Å; F301-T327 HydrophobicContact CE1-CG2 3.72Å; F325-T327 HydrophobicContact CD2-CG2 4.4Å; F325-T327 HydrophobicContact CE2-CG2 4.04Å; T327-I332 HydrophobicContact CG2-CG2 4.32Å
328	D	90.9	Very high	93.5	Very high	58 Å²	58	55.4 Å²	55.4	31%	0.31	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	89.5	175.5	-175.8	10.1	0	0	0	108.7	D331 L333 K341	D328-D331 PolarHBondContact N-O 2.9Å; D328-D331 PolarHBondContact O-N 3.2Å; D328-L333 HydrophobicContact CB-CD1 4.11Å; D328-K341 VanDerWaalsContact OD2-CD 3.23Å; D328-K341 WeakPolarHBondContact OD2-CD 3.47Å; D328-K341 WeakPolarHBondContact OD2-CE 3.48Å; D328-K341 IonicContact OD2-NZ 2.6Å; D328-K341 PolarHBondContact OD2-NZ 2.86Å
329	G	87.9	Confident	93.5	Very high	62 Å²	62	58.5 Å²	58.5	64%	0.639	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-125.2	-168.9	0	0	0	0	0	111.8	D331	G329-D331 PolarHBondContact O-N 3.27Å
330	P	89.1	Confident	93.4	Very high	101 Å²	101	57.8 Å²	57.8	66%	0.656	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14	176.5	33.6	-35.1	0	0	0	112.7	R304	R304-P330 PolarHBondContact NH1-O 3.26Å; R304-P330 PolarHBondContact NH2-O 2.75Å
331	D	92.1	Very high	93.2	Very high	70 Å²	70	60.8 Å²	60.8	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	154.7	-174.5	-63.8	-33.3	0	0	0	111.8	A314 D328 G329	A314-D331 HydrophobicContact CB-CB 3.81Å; D328-D331 PolarHBondContact N-O 2.9Å; D328-D331 PolarHBondContact O-N 3.2Å; G329-D331 PolarHBondContact O-N 3.27Å
332	I	94.6	Very high	93	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.3	169.2	56	176	0	0	0	108.4	W306 F311 K312 C313 A314 L320 F325 T327	W306-I332 HydrophobicContact CH2-CG2 4.39Å; W306-I332 HydrophobicContact CZ2-CD1 3.92Å; W306-I332 HydrophobicContact CZ2-CG2 3.99Å; F311-I332 HydrophobicContact CD2-CD1 3.49Å; F311-I332 VanDerWaalsContact CD2-CD1 3.49Å; F311-I332 HydrophobicContact CE2-CD1 3.4Å; F311-I332 VanDerWaalsContact CE2-CD1 3.4Å; F311-I332 HydrophobicContact CG-CD1 4.41Å; F311-I332 HydrophobicContact CZ-CD1 4.25Å; K312-I332 WeakPolarHBondContact O-CG1 3.43Å; C313-I332 CarbonylContact C-O 3.58Å; C313-I332 WeakPolarHBondContact CA-O 3.46Å; A314-I332 PolarHBondContact N-O 3.5Å; L320-I332 HydrophobicContact CD1-CB 4.08Å; L320-I332 HydrophobicContact CD1-CD1 3.75Å; L320-I332 HydrophobicContact CD1-CG1 3.81Å; F325-I332 HydrophobicContact CD2-CB 4.45Å; F325-I332 HydrophobicContact CD2-CG2 4.26Å; T327-I332 HydrophobicContact CG2-CG2 4.32Å
333	L	95.8	Very high	93	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.4	-175.7	-60.7	177.8	0	0	0	110.3	A314 Q315 F325 I326 D328 C337 A338 K341	A314-L333 HydrophobicContact CB-CD2 4.11Å; Q315-L333 HydrophobicContact CB-CD2 3.92Å; F325-L333 CarbonylContact C-O 3.57Å; F325-L333 WeakPolarHBondContact CA-O 3.19Å; I326-L333 PolarHBondContact N-O 3.14Å; I326-L333 PolarHBondContact O-N 2.95Å; D328-L333 HydrophobicContact CB-CD1 4.11Å; L333-C337 HydrophobicContact CB-CB 4.34Å; L333-C337 HydrophobicContact CD2-CB 4.36Å; L333-A338 HydrophobicContact CB-CB 4.06Å; L333-A338 HydrophobicContact CD1-CB 4.4Å; L333-K341 HydrophobicContact CD1-CD 3.87Å
334	C	97	Very high	92.9	Very high	18 Å²	18	61.1 Å²	61.1	12%	0.122	36%	0.363	C	S	.	.			trans	-68.7	159.6	164.6	73.5	0	0	0	0	109.8	C313 L320 E336 C337 A338	C313-C334 HydrophobicContact CB-CB 4.15Å; C313-C334 PolarHBondContact SG-N 3.22Å; L320-C334 HydrophobicContact CD2-CB 3.57Å; C334-E336 PolarHBondContact O-N 3.2Å; C334-C337 PolarHBondContact O-N 3.48Å; C334-C337 VanDerWaalsContact O-N 3.12Å; C334-C337 PolarHBondContact SG-N 3.41Å; C334-C337 VanDerWaalsContact SG-N 3.41Å; C334-C337 PolarHBondContact SG-SG 3.22Å; C334-A338 WeakPolarHBondContact O-CB 3.34Å; C334-A338 PolarHBondContact O-N 3.45Å
335	P	95.1	Very high	92.4	Very high	59 Å²	59	64 Å²	64	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-54.9	-38.1	-178.5	-27.6	37	0	0	0	113.8	G324 I326 K339	G324-P335 VanDerWaalsContact O-CD 3.28Å; G324-P335 WeakPolarHBondContact O-CD 3.31Å; I326-P335 HydrophobicContact CD1-CB 4.14Å; I326-P335 HydrophobicContact CD1-CG 4.09Å; P335-K339 VanDerWaalsContact O-CB 3.29Å; P335-K339 WeakPolarHBondContact O-CB 3.5Å; P335-K339 PolarHBondContact O-N 3.05Å
336	E	95.5	Very high	91.6	Very high	139 Å²	139	68.9 Å²	68.9	65%	0.65	39%	0.387	S	S	*	.	H	α-helix	trans	-66.5	-45.4	177.8	-63.2	-55.1	133	0	0	112.4	C334 K339 A340	C334-E336 PolarHBondContact O-N 3.2Å; E336-K339 PolarHBondContact O-N 2.94Å; E336-A340 WeakPolarHBondContact O-CB 3.49Å; E336-A340 PolarHBondContact O-N 3.14Å
337	C	96.7	Very high	90.6	Very high	15 Å²	15	69.8 Å²	69.8	10%	0.101	41%	0.405	C	S	.	.	H	α-helix	trans	-68.5	-38.6	177.3	-69.6	0	0	0	0	112	C313 Q315 L333 C334 A340 K341	C313-C337 VanDerWaalsContact SG-SG 3.68Å; Q315-C337 HydrophobicContact CB-CB 4.02Å; Q315-C337 HydrophobicContact CG-CB 4.41Å; L333-C337 HydrophobicContact CB-CB 4.34Å; L333-C337 HydrophobicContact CD2-CB 4.36Å; C334-C337 PolarHBondContact O-N 3.48Å; C334-C337 VanDerWaalsContact O-N 3.12Å; C334-C337 PolarHBondContact SG-N 3.41Å; C334-C337 VanDerWaalsContact SG-N 3.41Å; C334-C337 PolarHBondContact SG-SG 3.22Å; C337-A340 PolarHBondContact O-N 2.93Å; C337-K341 WeakPolarHBondContact O-CB 3.45Å; C337-K341 PolarHBondContact O-N 2.69Å
338	A	94.8	Very high	89	Confident	8 Å²	8	73.3 Å²	73.3	7%	0.066	44%	0.441	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175.5	0	0	0	0	0	111.4	I326 L333 C334 K341 L342	I326-A338 HydrophobicContact CB-CB 3.81Å; I326-A338 HydrophobicContact CD1-CB 3.79Å; I326-A338 HydrophobicContact CG1-CB 3.83Å; I326-A338 HydrophobicContact CG2-CB 4.23Å; L333-A338 HydrophobicContact CB-CB 4.06Å; L333-A338 HydrophobicContact CD1-CB 4.4Å; C334-A338 WeakPolarHBondContact O-CB 3.34Å; C334-A338 PolarHBondContact O-N 3.45Å; A338-K341 PolarHBondContact O-N 3.32Å; A338-L342 WeakPolarHBondContact O-CG 3.39Å; A338-L342 PolarHBondContact O-N 2.75Å
339	K	94.3	Very high	88.9	Confident	114 Å²	114	74.1 Å²	74.1	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-45.7	174.8	-177.6	179.8	175.2	-174.5	0	111.7	P335 E336 K341 L342 M343	P335-K339 VanDerWaalsContact O-CB 3.29Å; P335-K339 WeakPolarHBondContact O-CB 3.5Å; P335-K339 PolarHBondContact O-N 3.05Å; E336-K339 PolarHBondContact O-N 2.94Å; K339-K341 VanDerWaalsContact C-N 3.31Å; K339-K341 PolarHBondContact O-N 3.33Å; K339-L342 PolarHBondContact O-N 2.87Å; K339-M343 HydrophobicContact CD-CE 4.24Å; K339-M343 HydrophobicContact CG-CE 3.92Å; K339-M343 HydrophobicContact CG-SD 4.17Å; K339-M343 WeakPolarHBondContact O-CB 3.49Å; K339-M343 VanDerWaalsContact O-CG 3.27Å; K339-M343 WeakPolarHBondContact O-CG 3.33Å; K339-M343 PolarHBondContact O-N 2.93Å
340	A	93.6	Very high	88.9	Confident	49 Å²	49	74.7 Å²	74.7	41%	0.405	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-39.8	177.1	0	0	0	0	0	112.2	E336 C337 M343 A344	E336-A340 WeakPolarHBondContact O-CB 3.49Å; E336-A340 PolarHBondContact O-N 3.14Å; C337-A340 PolarHBondContact O-N 2.93Å; A340-M343 PolarHBondContact O-N 3.23Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 2.81Å
341	K	91.1	Very high	88.9	Confident	66 Å²	66	73.3 Å²	73.3	29%	0.287	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-44.9	177.5	-169.4	172.2	-177.7	177.5	0	112.3	D328 L333 C337 A338 K339 M343 A344 Q345	D328-K341 VanDerWaalsContact OD2-CD 3.23Å; D328-K341 WeakPolarHBondContact OD2-CD 3.47Å; D328-K341 WeakPolarHBondContact OD2-CE 3.48Å; D328-K341 IonicContact OD2-NZ 2.6Å; D328-K341 PolarHBondContact OD2-NZ 2.86Å; L333-K341 HydrophobicContact CD1-CD 3.87Å; C337-K341 WeakPolarHBondContact O-CB 3.45Å; C337-K341 PolarHBondContact O-N 2.69Å; A338-K341 PolarHBondContact O-N 3.32Å; K339-K341 VanDerWaalsContact C-N 3.31Å; K339-K341 PolarHBondContact O-N 3.33Å; K341-M343 VanDerWaalsContact C-N 3.34Å; K341-M343 PolarHBondContact O-N 3.41Å; K341-A344 PolarHBondContact O-N 2.93Å; K341-Q345 WeakPolarHBondContact O-CG 3.3Å; K341-Q345 PolarHBondContact O-N 2.87Å
342	L	89.3	Confident	88.7	Confident	96 Å²	96	73.5 Å²	73.5	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-60.9	-41.9	174.5	-73.1	169.4	0	0	0	111.9	A338 K339 A344 Q345 H346	A338-L342 WeakPolarHBondContact O-CG 3.39Å; A338-L342 PolarHBondContact O-N 2.75Å; K339-L342 PolarHBondContact O-N 2.87Å; L342-A344 PolarHBondContact O-N 2.92Å; L342-Q345 PolarHBondContact O-N 3.48Å; L342-H346 PolarHBondContact O-N 3.45Å; L342-H346 VanDerWaalsContact O-N 3.17Å
343	M	90.2	Very high	88.3	Confident	114 Å²	114	77.6 Å²	77.6	56%	0.562	45%	0.453	S	S	*	.	H	α-helix	trans	-63	-40.5	175.7	-73.6	178.7	168.7	0	0	112.2	K339 A340 K341 Q345 H346 A347	K339-M343 HydrophobicContact CD-CE 4.24Å; K339-M343 HydrophobicContact CG-CE 3.92Å; K339-M343 HydrophobicContact CG-SD 4.17Å; K339-M343 WeakPolarHBondContact O-CB 3.49Å; K339-M343 VanDerWaalsContact O-CG 3.27Å; K339-M343 WeakPolarHBondContact O-CG 3.33Å; K339-M343 PolarHBondContact O-N 2.93Å; A340-M343 PolarHBondContact O-N 3.23Å; K341-M343 VanDerWaalsContact C-N 3.34Å; K341-M343 PolarHBondContact O-N 3.41Å; M343-Q345 VanDerWaalsContact C-N 3.34Å; M343-H346 PolarHBondContact O-N 3.09Å; M343-A347 WeakPolarHBondContact O-CB 3.27Å; M343-A347 PolarHBondContact O-N 2.87Å
344	A	86.9	Confident	87.8	Confident	62 Å²	62	82.5 Å²	82.5	51%	0.512	48%	0.482	S	S	.	.	H	α-helix	trans	-66.8	-34.4	176.6	0	0	0	0	0	112.7	A340 K341 L342 A347 A348	A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 2.81Å; K341-A344 PolarHBondContact O-N 2.93Å; L342-A344 PolarHBondContact O-N 2.92Å; A344-A347 PolarHBondContact O-N 3.19Å; A344-A348 PolarHBondContact O-N 2.67Å
345	Q	81.6	Confident	87.2	Confident	106 Å²	106	87.1 Å²	87.1	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-71.9	-27.5	177	-74.3	174.7	-17.7	0	0	113.6	K341 L342 M343	K341-Q345 WeakPolarHBondContact O-CG 3.3Å; K341-Q345 PolarHBondContact O-N 2.87Å; L342-Q345 PolarHBondContact O-N 3.48Å; M343-Q345 VanDerWaalsContact C-N 3.34Å
346	H	79	Confident	86.6	Confident	162 Å²	162	89.3 Å²	89.3	75%	0.75	52%	0.517	S	S	*	.	H	α-helix	trans	-88	-12.3	176.4	-70.7	-166.4	0	0	0	113.1	L342 M343	L342-H346 PolarHBondContact O-N 3.45Å; L342-H346 VanDerWaalsContact O-N 3.17Å; M343-H346 PolarHBondContact O-N 3.09Å
347	A	74.8	Confident	85.8	Confident	91 Å²	91	85.2 Å²	85.2	75%	0.752	51%	0.506	S	S	*	.	H	α-helix	trans	-94.3	-11.2	177.1	0	0	0	0	0	113.5	M343 A344	M343-A347 WeakPolarHBondContact O-CB 3.27Å; M343-A347 PolarHBondContact O-N 2.87Å; A344-A347 PolarHBondContact O-N 3.19Å
348	A	57.7	Low	84.8	Confident	139 Å²	139	91.5 Å²	91.5	100%	1.149	54%	0.543	S	S	*	.			trans	-102.4	0	172.1	0	0	0	0	0	109.8	A344	A344-A348 PolarHBondContact O-N 2.67Å

Retrieved 348 of 348 residues in 570.4 ms (Link to these results)

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