A0A3Q0KST9_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KST9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 527 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	42.1	Very low	246 Å²	246	146.6 Å²	146.6	100%	1.212	71%	0.71	S	S	*	*				0	28.7	0	-105	-174.5	161.4	0	0	113.7
2	C	39.1	Very low	41.6	Very low	114 Å²	114	144.7 Å²	144.7	77%	0.77	70%	0.698	S	S	*	*			trans	-110.6	11.4	-176.1	-70.5	0	0	0	0	116
3	Y	39.6	Very low	41.2	Very low	215 Å²	215	141.6 Å²	141.6	84%	0.843	69%	0.687	S	S	*	*	S	Bend	trans	-98.8	-3.7	-176.6	-105.2	-86.8	0	0	0	115.7
4	R	39.5	Very low	40.7	Very low	224 Å²	224	140.9 Å²	140.9	85%	0.845	68%	0.681	S	S	*	*	S	Bend	trans	-90.9	-16.8	178.9	-83.7	-171.4	173.2	-176.1	-1.8	115.2
5	F	39.4	Very low	40.3	Very low	164 Å²	164	135.5 Å²	135.5	72%	0.719	66%	0.664	S	S	*	*	H	α-helix	trans	-85.2	-27.3	-177.1	-102.6	-86.4	0	0	0	114.4
6	V	46.5	Very low	39.8	Very low	97 Å²	97	133.6 Å²	133.6	59%	0.588	66%	0.657	S	S	*	*	H	α-helix	trans	-71.7	-33.6	-177	-178.6	0	0	0	0	111.9	L8 I9 V10	V6-L8 PolarHBondContact O-N 2.74Å; V6-I9 PolarHBondContact O-N 2.67Å; V6-V10 WeakPolarHBondContact O-CG2 3Å; V6-V10 PolarHBondContact O-N 2.79Å
7	L	45	Very low	39.4	Very low	113 Å²	113	132.9 Å²	132.9	59%	0.592	66%	0.656	S	S	*	*	H	α-helix	trans	-67.8	-35.9	178.5	-99.8	143.5	0	0	0	112.8	F11	L7-F11 HydrophobicContact CD2-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CE2 4.13Å; L7-F11 WeakPolarHBondContact O-CD2 3.06Å; L7-F11 PolarHBondContact O-N 2.67Å
8	L	42.3	Very low	39.5	Very low	108 Å²	108	129.8 Å²	129.8	57%	0.565	65%	0.648	S	S	*	*	H	α-helix	trans	-70.5	-33.6	178.9	-84.8	158.5	0	0	0	113	V6 H12	V6-L8 PolarHBondContact O-N 2.74Å; L8-H12 PolarHBondContact O-N 3.42Å; L8-H12 VanDerWaalsContact O-N 3.08Å
9	I	47.6	Very low	39.4	Very low	104 Å²	104	127.8 Å²	127.8	53%	0.533	64%	0.644	S	S	.	*	H	α-helix	trans	-72.2	-38.1	178.1	-63.8	174.3	0	0	0	110.8	V6 H12 L13	V6-I9 PolarHBondContact O-N 2.67Å; I9-H12 PolarHBondContact O-N 3.14Å; I9-L13 HydrophobicContact CG2-CD1 4.41Å; I9-L13 WeakPolarHBondContact O-CB 3.44Å; I9-L13 PolarHBondContact O-N 3.15Å
10	V	46.9	Very low	39.5	Very low	83 Å²	83	129 Å²	129	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-65.9	-39.9	176.5	177.4	0	0	0	0	111	V6 H14	V6-V10 WeakPolarHBondContact O-CG2 3Å; V6-V10 PolarHBondContact O-N 2.79Å; V10-H14 WeakPolarHBondContact O-CB 3.07Å; V10-H14 PolarHBondContact O-N 3.23Å
11	F	41.1	Very low	40.9	Very low	145 Å²	145	125.7 Å²	125.7	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-65.8	-40	175.2	-91.5	-77.3	0	0	0	112.8	L7 S15	L7-F11 HydrophobicContact CD2-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CE2 4.13Å; L7-F11 WeakPolarHBondContact O-CD2 3.06Å; L7-F11 PolarHBondContact O-N 2.67Å; F11-S15 WeakPolarHBondContact O-CB 3.12Å; F11-S15 PolarHBondContact O-N 2.92Å; F11-S15 PolarHBondContact O-OG 3.23Å
12	H	36	Very low	42.6	Very low	123 Å²	123	116.2 Å²	116.2	57%	0.569	59%	0.59	S	S	*	*	H	α-helix	trans	-72	-37.5	176.8	-93.2	-51.2	0	0	0	113.3	L8 I9 S15 L16	L8-H12 PolarHBondContact O-N 3.42Å; L8-H12 VanDerWaalsContact O-N 3.08Å; I9-H12 PolarHBondContact O-N 3.14Å; H12-S15 PolarHBondContact O-N 3.45Å; H12-L16 WeakPolarHBondContact O-CB 3.39Å; H12-L16 PolarHBondContact O-N 3.07Å
13	L	36.1	Very low	44.3	Very low	105 Å²	105	113.4 Å²	113.4	55%	0.55	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-38.9	175.6	-120.7	84.6	0	0	0	111.7	I9 S15 L16 L17	I9-L13 HydrophobicContact CG2-CD1 4.41Å; I9-L13 WeakPolarHBondContact O-CB 3.44Å; I9-L13 PolarHBondContact O-N 3.15Å; L13-S15 VanDerWaalsContact C-N 3.35Å; L13-L16 PolarHBondContact O-N 2.72Å; L13-L17 HydrophobicContact CD2-CD1 4.43Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.06Å; L13-L17 PolarHBondContact O-N 3.37Å
14	H	33.8	Very low	46.2	Very low	131 Å²	131	108.3 Å²	108.3	61%	0.606	56%	0.555	S	S	*	*	H	α-helix	trans	-67.2	-36.3	174.3	-109	-33.1	0	0	0	112.5	V10 C18	V10-H14 WeakPolarHBondContact O-CB 3.07Å; V10-H14 PolarHBondContact O-N 3.23Å; H14-C18 WeakPolarHBondContact O-CB 3.46Å; H14-C18 PolarHBondContact O-N 2.89Å; H14-C18 PolarHBondContact O-SG 2.89Å
15	S	35.3	Very low	48.4	Very low	61 Å²	61	99 Å²	99	43%	0.427	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-37.8	176	-55.5	0	0	0	0	112.3	F11 H12 L13 T19	F11-S15 WeakPolarHBondContact O-CB 3.12Å; F11-S15 PolarHBondContact O-N 2.92Å; F11-S15 PolarHBondContact O-OG 3.23Å; H12-S15 PolarHBondContact O-N 3.45Å; L13-S15 VanDerWaalsContact C-N 3.35Å; S15-T19 WeakPolarHBondContact O-CB 3.28Å; S15-T19 VanDerWaalsContact O-CG2 3.22Å; S15-T19 WeakPolarHBondContact O-CG2 3.45Å; S15-T19 PolarHBondContact O-N 2.94Å; S15-T19 VanDerWaalsContact O-N 3.11Å; S15-T19 PolarHBondContact O-OG1 3.33Å
16	L	31.9	Very low	50.6	Low	105 Å²	105	91.2 Å²	91.2	55%	0.55	49%	0.488	S	S	.	.	H	α-helix	trans	-77.8	-31.2	177.9	-92.3	140.5	0	0	0	113.6	H12 L13 T19	H12-L16 WeakPolarHBondContact O-CB 3.39Å; H12-L16 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 2.72Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 3.25Å
17	L	33.3	Very low	52.4	Low	122 Å²	122	89 Å²	89	64%	0.639	47%	0.472	S	S	*	.	H	α-helix	trans	-74.2	-30.3	172.8	-78.9	158.7	0	0	0	112.2	L13	L13-L17 HydrophobicContact CD2-CD1 4.43Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.06Å; L13-L17 PolarHBondContact O-N 3.37Å
18	C	41.7	Very low	54.3	Low	77 Å²	77	89.6 Å²	89.6	52%	0.52	47%	0.466	S	S	.	.	H	α-helix	trans	-78.4	-36.3	174.6	-68	0	0	0	0	113.3	H14 K20 S21	H14-C18 WeakPolarHBondContact O-CB 3.46Å; H14-C18 PolarHBondContact O-N 2.89Å; H14-C18 PolarHBondContact O-SG 2.89Å; C18-K20 PolarHBondContact O-N 3.43Å; C18-S21 WeakPolarHBondContact O-CB 3.28Å; C18-S21 PolarHBondContact O-N 3.02Å; C18-S21 VanDerWaalsContact O-N 3.16Å
19	T	37.4	Very low	56.5	Low	92 Å²	92	84.4 Å²	84.4	56%	0.564	44%	0.439	S	S	*	.	H	α-helix	trans	-72	-29.4	-175.3	44.9	0	0	0	0	114.2	S15 L16 S21	S15-T19 WeakPolarHBondContact O-CB 3.28Å; S15-T19 VanDerWaalsContact O-CG2 3.22Å; S15-T19 WeakPolarHBondContact O-CG2 3.45Å; S15-T19 PolarHBondContact O-N 2.94Å; S15-T19 VanDerWaalsContact O-N 3.11Å; S15-T19 PolarHBondContact O-OG1 3.33Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 3.25Å; T19-S21 PolarHBondContact O-N 3.27Å
20	K	41.3	Very low	58.4	Low	150 Å²	150	79.8 Å²	79.8	65%	0.652	42%	0.415	S	S	*	.	H	α-helix	trans	-69.8	-19.3	171.3	-76.3	-170.5	173.8	-177.1	0	113.4	C18 E24	C18-K20 PolarHBondContact O-N 3.43Å; K20-E24 WeakPolarHBondContact O-CG 3.14Å
21	S	68.7	Low	60.1	Low	61 Å²	61	81.1 Å²	81.1	43%	0.427	42%	0.416	S	S	.	.	H	α-helix	trans	-78.5	-44.3	-178.8	-171.5	0	0	0	0	113.2	C18 T19 E24 L25	C18-S21 WeakPolarHBondContact O-CB 3.28Å; C18-S21 PolarHBondContact O-N 3.02Å; C18-S21 VanDerWaalsContact O-N 3.16Å; T19-S21 PolarHBondContact O-N 3.27Å; S21-E24 PolarHBondContact O-N 2.02Å; S21-L25 WeakPolarHBondContact O-CG 3.33Å; S21-L25 PolarHBondContact O-N 3.33Å
22	V	71.6	Confident	62.2	Low	47 Å²	47	78.1 Å²	78.1	29%	0.285	41%	0.406	S	S	.	.	H	α-helix	trans	-65.7	-48.1	-172.8	170.9	0	0	0	0	113	E24 L25 W26 S154	V22-E24 VanDerWaalsContact C-N 3.29Å; V22-E24 PolarHBondContact O-N 3.37Å; V22-L25 PolarHBondContact O-N 3.35Å; V22-W26 PolarHBondContact O-N 2.78Å; V22-W26 VanDerWaalsContact O-N 3.1Å; V22-S154 WeakPolarHBondContact CG1-O 3.45Å
23	S	74.7	Confident	64.6	Low	54 Å²	54	73.2 Å²	73.2	38%	0.378	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-36.4	-178.1	63.4	0	0	0	0	112.6	W26 I27	S23-W26 PolarHBondContact O-N 3.36Å; S23-I27 VanDerWaalsContact O-CG1 3.23Å; S23-I27 WeakPolarHBondContact O-CG1 3.49Å; S23-I27 PolarHBondContact O-N 2.61Å
24	E	80.9	Confident	67	Low	108 Å²	108	71.5 Å²	71.5	51%	0.505	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-41.2	176	-71.8	-174.4	-178	0	0	112	K20 S21 V22 W26 I27 R28	K20-E24 WeakPolarHBondContact O-CG 3.14Å; S21-E24 PolarHBondContact O-N 2.02Å; V22-E24 VanDerWaalsContact C-N 3.29Å; V22-E24 PolarHBondContact O-N 3.37Å; E24-W26 VanDerWaalsContact C-N 3.34Å; E24-W26 PolarHBondContact O-N 2.96Å; E24-I27 PolarHBondContact O-N 2.78Å; E24-R28 WeakPolarHBondContact O-CG 3.31Å; E24-R28 PolarHBondContact O-N 3.28Å
25	L	84.2	Confident	69.2	Low	29 Å²	29	68.6 Å²	68.6	15%	0.152	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-42.7	176.6	-68.3	167.4	0	0	0	111.4	S21 V22 R28 F29 F35 D155 P156	S21-L25 WeakPolarHBondContact O-CG 3.33Å; S21-L25 PolarHBondContact O-N 3.33Å; V22-L25 PolarHBondContact O-N 3.35Å; L25-R28 PolarHBondContact O-N 2.73Å; L25-F29 PolarHBondContact O-N 2.87Å; L25-F35 HydrophobicContact CD2-CE1 4.44Å; L25-F35 HydrophobicContact CD2-CZ 4.48Å; L25-D155 HydrophobicContact CD1-CB 4.45Å; L25-P156 HydrophobicContact CB-CG 3.81Å
26	W	86.5	Confident	71.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-68.3	-35.8	175.9	-85.4	103.4	0	0	0	113.5	V22 S23 E24 R28 F29 R30 I115 I149 E150 L153 P156 I160	V22-W26 PolarHBondContact O-N 2.78Å; V22-W26 VanDerWaalsContact O-N 3.1Å; S23-W26 PolarHBondContact O-N 3.36Å; E24-W26 VanDerWaalsContact C-N 3.34Å; E24-W26 PolarHBondContact O-N 2.96Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-F29 AromaticContact CE3-CD1 3.74Å; W26-F29 HydrophobicContact CE3-CD1 3.74Å; W26-F29 HydrophobicContact CE3-CE1 4.44Å; W26-F29 HydrophobicContact CH2-CD1 4.48Å; W26-F29 AromaticContact CZ3-CD1 3.5Å; W26-F29 HydrophobicContact CZ3-CD1 3.5Å; W26-F29 AromaticContact CZ3-CE1 3.77Å; W26-F29 HydrophobicContact CZ3-CE1 3.77Å; W26-F29 HydrophobicContact CZ3-CG 4.46Å; W26-F29 PolarHBondContact O-N 2.88Å; W26-R30 WeakPolarHBondContact O-CB 3.38Å; W26-R30 WeakPolarHBondContact O-CG 3.2Å; W26-R30 PolarHBondContact O-N 2.78Å; W26-R30 PolarHBondContact O-NE 3.31Å; W26-I115 HydrophobicContact CH2-CG2 4.18Å; W26-I115 HydrophobicContact CZ3-CG2 4.45Å; W26-I149 HydrophobicContact CH2-CG2 3.35Å; W26-I149 HydrophobicContact CZ2-CG2 3.95Å; W26-I149 HydrophobicContact CZ3-CG2 4.06Å; W26-E150 HydrophobicContact CD2-CG 3.64Å; W26-E150 HydrophobicContact CE3-CG 4.24Å; W26-E150 HydrophobicContact CG-CG 3.75Å; W26-E150 HydrophobicContact CZ2-CG 4.26Å; W26-L153 HydrophobicContact CH2-CB 4.43Å; W26-L153 HydrophobicContact CH2-CD1 4.42Å; W26-L153 HydrophobicContact CZ2-CB 3.75Å; W26-L153 VanDerWaalsContact CZ2-O 3.28Å; W26-L153 WeakPolarHBondContact CZ2-O 3.43Å; W26-L153 PolarHBondContact NE1-O 2.99Å; W26-P156 HydrophobicContact CD2-CB 4.24Å; W26-P156 HydrophobicContact CD2-CG 4.18Å; W26-P156 HydrophobicContact CE3-CB 4.5Å; W26-P156 HydrophobicContact CG-CG 4.25Å; W26-P156 HydrophobicContact CH2-CB 4.28Å; W26-P156 HydrophobicContact CZ2-CB 4.03Å; W26-I160 HydrophobicContact CH2-CD1 4.49Å
27	I	84.7	Confident	74	Confident	51 Å²	51	68 Å²	68	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-44.6	171.3	-70.6	164.5	0	0	0	110.2	S23 E24 F29 R30 Q31 P134	S23-I27 VanDerWaalsContact O-CG1 3.23Å; S23-I27 WeakPolarHBondContact O-CG1 3.49Å; S23-I27 PolarHBondContact O-N 2.61Å; E24-I27 PolarHBondContact O-N 2.78Å; I27-F29 PolarHBondContact O-N 2.98Å; I27-R30 PolarHBondContact O-N 2.76Å; I27-Q31 WeakPolarHBondContact O-CG 3.22Å; I27-Q31 PolarHBondContact O-N 2.74Å; I27-P134 HydrophobicContact CG2-CB 4.27Å
28	R	85.2	Confident	76.3	Confident	125 Å²	125	64.3 Å²	64.3	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.7	-71.6	178.3	-174.6	-172.4	4.8	112.2	E24 L25 W26 R30 Q31 N32 F35	E24-R28 WeakPolarHBondContact O-CG 3.31Å; E24-R28 PolarHBondContact O-N 3.28Å; L25-R28 PolarHBondContact O-N 2.73Å; W26-R28 VanDerWaalsContact C-N 3.34Å; R28-R30 PolarHBondContact O-N 3Å; R28-Q31 PolarHBondContact O-N 2.8Å; R28-N32 PolarHBondContact O-N 2.74Å; R28-F35 HydrophobicContact CB-CD1 4.43Å
29	F	87.7	Confident	78	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-43	175.2	176.8	-107.5	0	0	0	112.3	L25 W26 I27 Q31 N32 P33 V36 R112 I115 Y116 P156 I160	L25-F29 PolarHBondContact O-N 2.87Å; W26-F29 AromaticContact CE3-CD1 3.74Å; W26-F29 HydrophobicContact CE3-CD1 3.74Å; W26-F29 HydrophobicContact CE3-CE1 4.44Å; W26-F29 HydrophobicContact CH2-CD1 4.48Å; W26-F29 AromaticContact CZ3-CD1 3.5Å; W26-F29 HydrophobicContact CZ3-CD1 3.5Å; W26-F29 AromaticContact CZ3-CE1 3.77Å; W26-F29 HydrophobicContact CZ3-CE1 3.77Å; W26-F29 HydrophobicContact CZ3-CG 4.46Å; W26-F29 PolarHBondContact O-N 2.88Å; I27-F29 PolarHBondContact O-N 2.98Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3.16Å; F29-N32 CarbonylContact O-C 3.57Å; F29-N32 PolarHBondContact O-N 3.48Å; F29-P33 HydrophobicContact CD2-CB 4.44Å; F29-P33 HydrophobicContact CE2-CB 3.97Å; F29-P33 HydrophobicContact CZ-CB 4.42Å; F29-P33 WeakPolarHBondContact O-CA 3.23Å; F29-P33 VanDerWaalsContact O-N 3.14Å; F29-V36 HydrophobicContact CD2-CB 4.46Å; F29-V36 HydrophobicContact CD2-CG2 3.54Å; F29-V36 HydrophobicContact CE2-CG2 4Å; F29-R112 HydrophobicContact CE2-CG 3.92Å; F29-R112 HydrophobicContact CZ-CG 4.38Å; F29-I115 HydrophobicContact CE1-CG2 3.93Å; F29-I115 HydrophobicContact CZ-CB 4.38Å; F29-I115 HydrophobicContact CZ-CG2 3.96Å; F29-Y116 HydrophobicContact CE1-CD2 4.42Å; F29-P156 HydrophobicContact CB-CB 4.16Å; F29-P156 HydrophobicContact CB-CG 4.24Å; F29-P156 HydrophobicContact CG-CB 4.25Å; F29-I160 HydrophobicContact CD2-CD1 4.23Å; F29-I160 HydrophobicContact CE1-CD1 4.31Å; F29-I160 HydrophobicContact CE2-CD1 3.78Å; F29-I160 HydrophobicContact CZ-CD1 3.82Å
30	R	87.2	Confident	79.9	Confident	7 Å²	7	61 Å²	61	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-25.4	176.7	-75.2	-174.6	-75.6	-107.6	2.3	114.1	W26 I27 R28 Y116 C131 E150	W26-R30 WeakPolarHBondContact O-CB 3.38Å; W26-R30 WeakPolarHBondContact O-CG 3.2Å; W26-R30 PolarHBondContact O-N 2.78Å; W26-R30 PolarHBondContact O-NE 3.31Å; I27-R30 PolarHBondContact O-N 2.76Å; R28-R30 PolarHBondContact O-N 3Å; R30-Y116 VanDerWaalsContact O-CE2 3.28Å; R30-Y116 WeakPolarHBondContact O-CE2 3.02Å; R30-C131 VanDerWaalsContact CD-SG 3.56Å; R30-E150 IonicContact CZ-OE1 3.28Å; R30-E150 IonicContact NH1-OE1 2.69Å; R30-E150 PolarHBondContact NH1-OE1 3.01Å; R30-E150 IonicContact NH2-OE1 2.68Å; R30-E150 PolarHBondContact NH2-OE1 2.65Å
31	Q	83.7	Confident	81.7	Confident	110 Å²	110	54.9 Å²	54.9	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-77.1	-42.7	172.5	-73.6	173.7	-7.5	0	0	111.6	I27 R28 F29 P134	I27-Q31 WeakPolarHBondContact O-CG 3.22Å; I27-Q31 PolarHBondContact O-N 2.74Å; R28-Q31 PolarHBondContact O-N 2.8Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3.16Å; Q31-P134 HydrophobicContact CG-CB 4.45Å; Q31-P134 VanDerWaalsContact NE2-CB 3.25Å
32	N	84.2	Confident	81.9	Confident	82 Å²	82	57.8 Å²	57.8	44%	0.439	29%	0.289	S	S	.	.			trans	-146.4	105.5	178.6	-176	3.1	0	0	0	110.5	R28 F29 S34 F35	R28-N32 PolarHBondContact O-N 2.74Å; F29-N32 CarbonylContact O-C 3.57Å; F29-N32 PolarHBondContact O-N 3.48Å; N32-S34 PolarHBondContact O-N 3.45Å; N32-S34 VanDerWaalsContact O-N 3.16Å; N32-S34 WeakPolarHBondContact OD1-CA 3.49Å; N32-S34 WeakPolarHBondContact OD1-CB 3.32Å; N32-S34 PolarHBondContact OD1-N 3.34Å; N32-S34 PolarHBondContact OD1-OG 2.81Å; N32-S34 VanDerWaalsContact OD1-OG 3.12Å; N32-F35 WeakPolarHBondContact O-CB 3.44Å; N32-F35 PolarHBondContact O-N 2.92Å
33	P	86.5	Confident	81.6	Confident	21 Å²	21	58.7 Å²	58.7	14%	0.136	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63.8	-23.3	176.9	24.5	-32.5	0	0	0	112	F29 F35 V36 R112 Y116	F29-P33 HydrophobicContact CD2-CB 4.44Å; F29-P33 HydrophobicContact CE2-CB 3.97Å; F29-P33 HydrophobicContact CZ-CB 4.42Å; F29-P33 WeakPolarHBondContact O-CA 3.23Å; F29-P33 VanDerWaalsContact O-N 3.14Å; P33-F35 PolarHBondContact O-N 2.87Å; P33-F35 VanDerWaalsContact O-N 3.09Å; P33-V36 PolarHBondContact O-N 2.83Å; P33-V36 VanDerWaalsContact O-N 3.17Å; P33-R112 WeakPolarHBondContact O-CD 3.35Å; P33-R112 PolarHBondContact O-NE 2.98Å; P33-Y116 HydrophobicContact CB-CD2 3.88Å; P33-Y116 HydrophobicContact CB-CG 4.09Å; P33-Y116 HydrophobicContact CG-CD2 3.94Å; P33-Y116 HydrophobicContact CG-CE2 4.26Å; P33-Y116 HydrophobicContact CG-CG 4.12Å
34	S	86.1	Confident	80.5	Confident	69 Å²	69	57.1 Å²	57.1	48%	0.483	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66.7	-8.4	176.5	-44.7	0	0	0	0	113.9	N32 V36	N32-S34 PolarHBondContact O-N 3.45Å; N32-S34 VanDerWaalsContact O-N 3.16Å; N32-S34 WeakPolarHBondContact OD1-CA 3.49Å; N32-S34 WeakPolarHBondContact OD1-CB 3.32Å; N32-S34 PolarHBondContact OD1-N 3.34Å; N32-S34 PolarHBondContact OD1-OG 2.81Å; N32-S34 VanDerWaalsContact OD1-OG 3.12Å; S34-V36 PolarHBondContact O-N 2.8Å
35	F	81.4	Confident	78.9	Confident	70 Å²	70	58.8 Å²	58.8	31%	0.307	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-56.4	-38.4	169.2	175.7	-108.5	0	0	0	111.5	L25 R28 N32 P33 Q157	L25-F35 HydrophobicContact CD2-CE1 4.44Å; L25-F35 HydrophobicContact CD2-CZ 4.48Å; R28-F35 HydrophobicContact CB-CD1 4.43Å; N32-F35 WeakPolarHBondContact O-CB 3.44Å; N32-F35 PolarHBondContact O-N 2.92Å; P33-F35 PolarHBondContact O-N 2.87Å; P33-F35 VanDerWaalsContact O-N 3.09Å; F35-Q157 HydrophobicContact CE1-CB 4.4Å; F35-Q157 PolarHBondContact O-OE1 3.06Å; F35-Q157 VanDerWaalsContact O-OE1 3.09Å
36	V	84.1	Confident	76.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-86	125.6	-180	-173.8	0	0	0	0	110.1	F29 P33 S34 F108 R112 P156 I160	F29-V36 HydrophobicContact CD2-CB 4.46Å; F29-V36 HydrophobicContact CD2-CG2 3.54Å; F29-V36 HydrophobicContact CE2-CG2 4Å; P33-V36 PolarHBondContact O-N 2.83Å; P33-V36 VanDerWaalsContact O-N 3.17Å; S34-V36 PolarHBondContact O-N 2.8Å; V36-F108 HydrophobicContact CG1-CZ 4.11Å; V36-R112 PolarHBondContact O-NH1 3.37Å; V36-P156 WeakPolarHBondContact CG1-O 3.4Å; V36-P156 HydrophobicContact CG2-CB 4.49Å; V36-P156 WeakPolarHBondContact CG2-O 3.26Å; V36-I160 HydrophobicContact CG1-CB 4.11Å; V36-I160 HydrophobicContact CG1-CG2 4.15Å; V36-I160 HydrophobicContact CG2-CD1 4.42Å
37	K	84	Confident	74.4	Confident	152 Å²	152	69.3 Å²	69.3	66%	0.661	34%	0.339	S	S	*	.			trans	-111.7	142.8	-176.3	-64.6	-178.3	-179.5	177.6	0	110.2	F108 S161	K37-F108 VanDerWaalsContact C-CZ 3.49Å; K37-S161 PolarHBondContact O-OG 3.49Å
38	S	81.1	Confident	72.1	Confident	45 Å²	45	70.9 Å²	70.9	32%	0.315	35%	0.354	S	S	.	.			trans	-64.9	157.2	172.8	60	0	0	0	0	111.3	F108	S38-F108 VanDerWaalsContact N-CE1 3.26Å; S38-F108 VanDerWaalsContact N-CZ 3.32Å
39	F	76.1	Confident	69.9	Low	27 Å²	27	70 Å²	70	12%	0.118	37%	0.367	C	S	.	.			trans	-71	156	172.5	-61.1	-39.9	0	0	0	113.5	F41 L56 S161 S162 A165	F39-F41 HydrophobicContact CB-CD2 4.21Å; F39-F41 HydrophobicContact CB-CE2 4.01Å; F39-F41 AromaticContact CD2-CE2 3.9Å; F39-F41 HydrophobicContact CD2-CE2 3.9Å; F39-F41 HydrophobicContact CD2-CZ 4.1Å; F39-F41 HydrophobicContact CG-CE2 4.36Å; F39-L56 HydrophobicContact CD1-CD1 3.85Å; F39-L56 HydrophobicContact CD1-CD2 4.01Å; F39-L56 HydrophobicContact CE1-CD1 3.49Å; F39-L56 VanDerWaalsContact CE1-CD1 3.49Å; F39-L56 HydrophobicContact CE1-CD2 3.25Å; F39-L56 HydrophobicContact CE1-CG 4Å; F39-L56 HydrophobicContact CE2-CD2 3.8Å; F39-L56 HydrophobicContact CZ-CD1 4.29Å; F39-L56 HydrophobicContact CZ-CD2 3.12Å; F39-L56 HydrophobicContact CZ-CG 4.32Å; F39-S161 WeakPolarHBondContact CE2-O 3.06Å; F39-S162 VanDerWaalsContact CE2-CA 3.44Å; F39-S162 VanDerWaalsContact CE2-N 3.3Å; F39-S162 VanDerWaalsContact CZ-N 3.25Å; F39-S162 WeakPolarHBondContact CZ-OG 3.28Å; F39-A165 HydrophobicContact CD2-CB 3.64Å; F39-A165 HydrophobicContact CE2-CB 3.98Å
40	N	79	Confident	67.7	Low	73 Å²	73	73.4 Å²	73.4	39%	0.39	39%	0.389	S	S	.	.			trans	-129.5	102.7	162.3	-173.2	-18.2	0	0	0	108.1	K42 S43 T193	N40-K42 VanDerWaalsContact C-N 3.31Å; N40-K42 WeakPolarHBondContact OD1-CA 3.49Å; N40-K42 VanDerWaalsContact OD1-CB 3.23Å; N40-K42 WeakPolarHBondContact OD1-CB 3.46Å; N40-K42 PolarHBondContact OD1-N 2.83Å; N40-S43 PolarHBondContact O-OG 3.06Å; N40-S43 PolarHBondContact OD1-N 3.42Å; N40-T193 CarbonylContact C-O 3.58Å; N40-T193 VanDerWaalsContact CA-O 3.3Å; N40-T193 WeakPolarHBondContact CA-O 3.48Å
41	F	78	Confident	65.8	Low	22 Å²	22	79.3 Å²	79.3	10%	0.096	42%	0.421	C	S	.	.	S	Bend	trans	-76.3	-20.5	176.2	-75.6	-82.5	0	0	0	112.5	F39 A165 T193 G194 C195 P196	F39-F41 HydrophobicContact CB-CD2 4.21Å; F39-F41 HydrophobicContact CB-CE2 4.01Å; F39-F41 AromaticContact CD2-CE2 3.9Å; F39-F41 HydrophobicContact CD2-CE2 3.9Å; F39-F41 HydrophobicContact CD2-CZ 4.1Å; F39-F41 HydrophobicContact CG-CE2 4.36Å; F41-A165 HydrophobicContact CE2-CB 4.33Å; F41-T193 PolarHBondContact N-O 3.02Å; F41-G194 VanDerWaalsContact CD2-O 3.28Å; F41-G194 WeakPolarHBondContact CD2-O 3.35Å; F41-G194 WeakPolarHBondContact CE2-O 3.39Å; F41-C195 VanDerWaalsContact CB-O 3.23Å; F41-C195 WeakPolarHBondContact CB-O 3.07Å; F41-C195 WeakPolarHBondContact CG-O 3.05Å; F41-P196 HydrophobicContact CD1-CB 4.12Å; F41-P196 HydrophobicContact CE1-CB 3.92Å; F41-P196 HydrophobicContact CZ-CB 4.19Å
42	K	74	Confident	64	Low	122 Å²	122	77.2 Å²	77.2	53%	0.53	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.9	179.1	-165.7	168.3	-175.2	154.2	0	112.8	N40 S44 E192	N40-K42 VanDerWaalsContact C-N 3.31Å; N40-K42 WeakPolarHBondContact OD1-CA 3.49Å; N40-K42 VanDerWaalsContact OD1-CB 3.23Å; N40-K42 WeakPolarHBondContact OD1-CB 3.46Å; N40-K42 PolarHBondContact OD1-N 2.83Å; K42-S44 PolarHBondContact O-N 3.44Å; K42-E192 IonicContact NZ-OE2 2.68Å; K42-E192 PolarHBondContact NZ-OE2 3.5Å
43	S	64.7	Low	62.4	Low	66 Å²	66	76.3 Å²	76.3	46%	0.462	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	28.2	-178.5	59	0	0	0	0	114.3	N40 D45	N40-S43 PolarHBondContact O-OG 3.06Å; N40-S43 PolarHBondContact OD1-N 3.42Å; S43-D45 PolarHBondContact O-N 3.47Å; S43-D45 VanDerWaalsContact O-N 3.17Å
44	S	52.1	Low	60.8	Low	20 Å²	20	79 Å²	79	14%	0.14	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-68.6	-14.5	-169.5	63.9	0	0	0	0	116.3	K42 Y46 F47 F200	K42-S44 PolarHBondContact O-N 3.44Å; S44-Y46 PolarHBondContact O-N 2.78Å; S44-F47 VanDerWaalsContact CB-CE2 3.49Å; S44-F47 WeakPolarHBondContact O-CD2 3.47Å; S44-F200 WeakPolarHBondContact OG-CE2 3.2Å
45	D	45.6	Very low	59.3	Low	144 Å²	144	78.9 Å²	78.9	77%	0.77	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-70.7	-10.3	-177.6	-70.5	-19.6	0	0	0	113.4	S43	S43-D45 PolarHBondContact O-N 3.47Å; S43-D45 VanDerWaalsContact O-N 3.17Å
46	Y	37	Very low	58.3	Low	207 Å²	207	76.7 Å²	76.7	81%	0.812	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-118.7	26.9	-175	-84.2	-84.7	0	0	0	114.9	S44 S48	S44-Y46 PolarHBondContact O-N 2.78Å; Y46-S48 PolarHBondContact O-N 3.33Å
47	F	40.7	Very low	57.3	Low	42 Å²	42	80.8 Å²	80.8	18%	0.184	43%	0.425	C	S	.	.			trans	-77.5	87.8	176.5	-73.3	-61.7	0	0	0	112.1	S44 E53 K57	S44-F47 VanDerWaalsContact CB-CE2 3.49Å; S44-F47 WeakPolarHBondContact O-CD2 3.47Å; F47-E53 HydrophobicContact CD1-CB 3.96Å; F47-E53 HydrophobicContact CD1-CG 4.13Å; F47-K57 HydrophobicContact CB-CD 4.29Å; F47-K57 HydrophobicContact CB-CG 4.2Å; F47-K57 HydrophobicContact CD2-CG 4.07Å; F47-K57 HydrophobicContact CG-CG 4.22Å; F47-K57 PolarHBondContact O-NZ 2.64Å
48	S	36	Very low	56.6	Low	84 Å²	84	79.1 Å²	79.1	59%	0.587	42%	0.418	S	S	*	.			trans	-98.7	114.6	174.2	62.6	0	0	0	0	112.8	Y46 T50	Y46-S48 PolarHBondContact O-N 3.33Å; S48-T50 PolarHBondContact O-N 2.95Å
49	S	39	Very low	56.5	Low	106 Å²	106	77.5 Å²	77.5	74%	0.741	41%	0.405	S	S	*	.	S	Bend	trans	41	31.7	153.4	90.2	0	0	0	0	122.3
50	T	41.1	Very low	56.8	Low	73 Å²	73	77.2 Å²	77.2	45%	0.448	41%	0.406	S	S	.	.			trans	-108.6	148	159.5	59.1	0	0	0	0	112.1	S48 N52 E53 N54	S48-T50 PolarHBondContact O-N 2.95Å; T50-N52 VanDerWaalsContact C-N 3.34Å; T50-N52 PolarHBondContact O-N 2.87Å; T50-E53 WeakPolarHBondContact O-CA 3.41Å; T50-E53 WeakPolarHBondContact O-CB 3.43Å; T50-E53 PolarHBondContact O-N 3.07Å; T50-E53 VanDerWaalsContact OG1-CG 3.25Å; T50-E53 WeakPolarHBondContact OG1-CG 3.2Å; T50-E53 PolarHBondContact OG1-OE2 3.5Å; T50-N54 PolarHBondContact O-N 3.24Å
51	D	48.6	Very low	57	Low	131 Å²	131	78.9 Å²	78.9	70%	0.701	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-35	-172.6	-72.9	-30.4	0	0	0	113.6	E53 N54 T55	D51-E53 VanDerWaalsContact C-N 3.27Å; D51-E53 PolarHBondContact O-N 3.3Å; D51-N54 PolarHBondContact O-N 3.12Å; D51-T55 PolarHBondContact O-N 2.79Å; D51-T55 PolarHBondContact O-OG1 3.29Å; D51-T55 VanDerWaalsContact O-OG1 3.06Å
52	N	45.7	Very low	57.5	Low	66 Å²	66	77.9 Å²	77.9	35%	0.353	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-34.1	172.6	-75.3	6	0	0	0	111.4	T50 L56 V158	T50-N52 VanDerWaalsContact C-N 3.34Å; T50-N52 PolarHBondContact O-N 2.87Å; N52-L56 WeakPolarHBondContact O-CD1 3.43Å; N52-L56 VanDerWaalsContact O-CG 3.25Å; N52-L56 WeakPolarHBondContact O-CG 3.43Å; N52-V158 HydrophobicContact CB-CG2 3.98Å; N52-V158 WeakPolarHBondContact OD1-CG2 3.46Å
53	E	50.1	Low	58.2	Low	63 Å²	63	72.3 Å²	72.3	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-79.8	-31.7	-179.9	-70.4	175.2	177.2	0	0	113	F47 T50 D51 T55 L56 K57	F47-E53 HydrophobicContact CD1-CB 3.96Å; F47-E53 HydrophobicContact CD1-CG 4.13Å; T50-E53 WeakPolarHBondContact O-CA 3.41Å; T50-E53 WeakPolarHBondContact O-CB 3.43Å; T50-E53 PolarHBondContact O-N 3.07Å; T50-E53 VanDerWaalsContact OG1-CG 3.25Å; T50-E53 WeakPolarHBondContact OG1-CG 3.2Å; T50-E53 PolarHBondContact OG1-OE2 3.5Å; D51-E53 VanDerWaalsContact C-N 3.27Å; D51-E53 PolarHBondContact O-N 3.3Å; E53-T55 VanDerWaalsContact C-N 3.34Å; E53-L56 PolarHBondContact O-N 2.87Å; E53-K57 PolarHBondContact O-N 3.49Å; E53-K57 VanDerWaalsContact O-N 3.1Å
54	N	52.3	Low	59	Low	78 Å²	78	70.1 Å²	70.1	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-65.9	-37	173.6	-77.9	-24.9	0	0	0	112.3	T50 D51 L56	T50-N54 PolarHBondContact O-N 3.24Å; D51-N54 PolarHBondContact O-N 3.12Å; N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 2.95Å
55	T	54.9	Low	60	Low	66 Å²	66	75.4 Å²	75.4	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-36.9	175.9	-53.6	0	0	0	0	111.1	D51 E53 K58 V158	D51-T55 PolarHBondContact O-N 2.79Å; D51-T55 PolarHBondContact O-OG1 3.29Å; D51-T55 VanDerWaalsContact O-OG1 3.06Å; E53-T55 VanDerWaalsContact C-N 3.34Å; T55-K58 WeakPolarHBondContact O-CB 3.21Å; T55-K58 PolarHBondContact O-N 2.92Å; T55-V158 HydrophobicContact CG2-CG1 4.43Å
56	L	59.5	Low	60.7	Low	24 Å²	24	70.7 Å²	70.7	13%	0.126	37%	0.366	C	S	.	.	H	α-helix	trans	-78.1	-32	-177	-63.2	171.2	0	0	0	113.7	F39 N52 E53 N54 K58 Y59	F39-L56 HydrophobicContact CD1-CD1 3.85Å; F39-L56 HydrophobicContact CD1-CD2 4.01Å; F39-L56 HydrophobicContact CE1-CD1 3.49Å; F39-L56 VanDerWaalsContact CE1-CD1 3.49Å; F39-L56 HydrophobicContact CE1-CD2 3.25Å; F39-L56 HydrophobicContact CE1-CG 4Å; F39-L56 HydrophobicContact CE2-CD2 3.8Å; F39-L56 HydrophobicContact CZ-CD1 4.29Å; F39-L56 HydrophobicContact CZ-CD2 3.12Å; F39-L56 HydrophobicContact CZ-CG 4.32Å; N52-L56 WeakPolarHBondContact O-CD1 3.43Å; N52-L56 VanDerWaalsContact O-CG 3.25Å; N52-L56 WeakPolarHBondContact O-CG 3.43Å; E53-L56 PolarHBondContact O-N 2.87Å; N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 2.95Å; L56-K58 PolarHBondContact O-N 2.94Å; L56-K58 VanDerWaalsContact O-N 3.1Å; L56-Y59 PolarHBondContact O-N 2.75Å
57	K	63.8	Low	61.3	Low	85 Å²	85	67.8 Å²	67.8	37%	0.37	36%	0.362	S	S	.	.	H	α-helix	trans	-49.8	-35	168.8	-86.7	178.3	171.5	153.4	0	112.2	F47 E53 Y59 S60	F47-K57 HydrophobicContact CB-CD 4.29Å; F47-K57 HydrophobicContact CB-CG 4.2Å; F47-K57 HydrophobicContact CD2-CG 4.07Å; F47-K57 HydrophobicContact CG-CG 4.22Å; F47-K57 PolarHBondContact O-NZ 2.64Å; E53-K57 PolarHBondContact O-N 3.49Å; E53-K57 VanDerWaalsContact O-N 3.1Å; K57-Y59 PolarHBondContact O-N 3.05Å; K57-S60 WeakPolarHBondContact O-CB 3.34Å; K57-S60 PolarHBondContact O-N 3.15Å; K57-S60 PolarHBondContact O-OG 3.15Å
58	K	69.2	Low	61.4	Low	117 Å²	117	75.2 Å²	75.2	51%	0.509	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.4	-179.9	-168	-178.2	174.6	-172.6	0	113	T55 L56	T55-K58 WeakPolarHBondContact O-CB 3.21Å; T55-K58 PolarHBondContact O-N 2.92Å; L56-K58 PolarHBondContact O-N 2.94Å; L56-K58 VanDerWaalsContact O-N 3.1Å
59	Y	78.9	Confident	62.1	Low	12 Å²	12	71.6 Å²	71.6	5%	0.047	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.1	-177.8	-55.4	-72	0	0	0	113.5	L56 K57 R61 G62 F63 P64 A72 F73 P196	L56-Y59 PolarHBondContact O-N 2.75Å; K57-Y59 PolarHBondContact O-N 3.05Å; Y59-R61 PolarHBondContact O-N 2.74Å; Y59-R61 VanDerWaalsContact O-N 3.07Å; Y59-G62 PolarHBondContact O-N 3.3Å; Y59-F63 AromaticContact CD1-CD1 3.94Å; Y59-F63 HydrophobicContact CD1-CD1 3.94Å; Y59-F63 HydrophobicContact CG-CD1 4.45Å; Y59-P64 HydrophobicContact CE1-CG 4.25Å; Y59-A72 WeakPolarHBondContact OH-CB 3.15Å; Y59-F73 HydrophobicContact CE1-CE2 4.14Å; Y59-P196 WeakPolarHBondContact O-CB 3.38Å
60	S	82.4	Confident	62.5	Low	21 Å²	21	69.2 Å²	69.2	15%	0.147	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.9	-177.1	55.4	0	0	0	0	113.6	K57 N197	K57-S60 WeakPolarHBondContact O-CB 3.34Å; K57-S60 PolarHBondContact O-N 3.15Å; K57-S60 PolarHBondContact O-OG 3.15Å; S60-N197 PolarHBondContact O-N 2.86Å
61	R	84.6	Confident	62.7	Low	107 Å²	107	69.2 Å²	69.2	40%	0.404	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.5	177.8	-159.9	-175.4	143.1	173.8	-3.9	114	Y59 N197 P198 E222	Y59-R61 PolarHBondContact O-N 2.74Å; Y59-R61 VanDerWaalsContact O-N 3.07Å; R61-N197 WeakPolarHBondContact CA-O 3.36Å; R61-P198 WeakPolarHBondContact O-CA 3.15Å; R61-E222 VanDerWaalsContact O-CA 3.31Å; R61-E222 WeakPolarHBondContact O-CA 2.97Å
62	G	88.7	Confident	62.7	Low	2 Å²	2	64.9 Å²	64.9	2%	0.021	34%	0.336	C	S	.	.			trans	122.2	163.5	-175.8	0	0	0	0	0	112.2	Y59 A220	Y59-G62 PolarHBondContact O-N 3.3Å; G62-A220 VanDerWaalsContact CA-O 3.29Å; G62-A220 WeakPolarHBondContact CA-O 3.48Å
63	F	87.3	Confident	63.1	Low	4 Å²	4	62.3 Å²	62.3	2%	0.018	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-70.1	131.8	172.9	-57.3	-68.3	0	0	0	109.6	Y59 F73 A165 Y166 C169 P196 A220 F221 E222	Y59-F63 AromaticContact CD1-CD1 3.94Å; Y59-F63 HydrophobicContact CD1-CD1 3.94Å; Y59-F63 HydrophobicContact CG-CD1 4.45Å; F63-F73 HydrophobicContact CD1-CE2 4.01Å; F63-F73 HydrophobicContact CE1-CE2 4.3Å; F63-F73 HydrophobicContact CE1-CZ 4.36Å; F63-A165 HydrophobicContact CZ-CB 4.34Å; F63-Y166 HydrophobicContact CB-CD2 4.17Å; F63-Y166 HydrophobicContact CB-CE2 4.27Å; F63-Y166 AromaticContact CD1-CD2 3.82Å; F63-Y166 HydrophobicContact CD1-CD2 3.82Å; F63-Y166 AromaticContact CD2-CD2 3.97Å; F63-Y166 HydrophobicContact CD2-CD2 3.97Å; F63-Y166 HydrophobicContact CE1-CD2 4.2Å; F63-Y166 HydrophobicContact CE2-CD2 4.34Å; F63-Y166 AromaticContact CG-CD2 3.7Å; F63-Y166 HydrophobicContact CG-CD2 3.7Å; F63-Y166 HydrophobicContact CG-CE2 4.27Å; F63-Y166 VanDerWaalsContact CZ-CA 3.48Å; F63-Y166 HydrophobicContact CZ-CD2 4.46Å; F63-C169 HydrophobicContact CE2-CB 3.92Å; F63-P196 HydrophobicContact CD2-CG 3.92Å; F63-P196 HydrophobicContact CE1-CG 4.48Å; F63-P196 HydrophobicContact CE2-CG 3.58Å; F63-P196 HydrophobicContact CG-CG 4.5Å; F63-P196 HydrophobicContact CZ-CG 3.89Å; F63-A220 HydrophobicContact CD2-CB 3.93Å; F63-A220 WeakPolarHBondContact CD2-O 3.2Å; F63-A220 HydrophobicContact CE2-CB 4.11Å; F63-A220 PolarHBondContact N-O 2.03Å; F63-F221 HydrophobicContact CB-CD1 3.84Å; F63-F221 HydrophobicContact CB-CE1 4.09Å; F63-F221 WeakPolarHBondContact O-CA 3.33Å; F63-F221 WeakPolarHBondContact O-CD1 3.41Å; F63-E222 PolarHBondContact O-N 3.21Å
64	P	81.2	Confident	62.7	Low	21 Å²	21	62.9 Å²	62.9	14%	0.136	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.9	144.7	174.8	23.9	-27.5	0	0	0	110.3	Y59	Y59-P64 HydrophobicContact CE1-CG 4.25Å
65	R	73	Confident	62.1	Low	131 Å²	131	62.6 Å²	62.6	49%	0.494	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-92.4	142.7	171.5	-69.3	-175.5	174	-143.9	0.2	110	F221 N223 E224	R65-F221 HydrophobicContact CG-CB 4.16Å; R65-F221 HydrophobicContact CG-CD1 3.56Å; R65-F221 HydrophobicContact CG-CE1 4.18Å; R65-F221 HydrophobicContact CG-CG 3.98Å; R65-N223 WeakPolarHBondContact CD-OD1 3.48Å; R65-N223 PolarHBondContact NE-OD1 3.33Å; R65-E224 IonicContact CZ-OE1 3.68Å; R65-E224 IonicContact NH2-OE1 2.79Å; R65-E224 PolarHBondContact NH2-OE1 3.4Å
66	G	60.8	Low	61.7	Low	45 Å²	45	60 Å²	60	46%	0.464	31%	0.313	S	S	.	.	S	Bend	trans	92.4	-167.8	176.7	0	0	0	0	0	114.5	W68 G69 T70	G66-W68 PolarHBondContact O-N 3.44Å; G66-G69 WeakPolarHBondContact O-CA 3.29Å; G66-G69 PolarHBondContact O-N 2.72Å; G66-T70 PolarHBondContact O-N 3.48Å; G66-T70 PolarHBondContact O-OG1 3.27Å
67	I	49.7	Very low	60.6	Low	145 Å²	145	63.1 Å²	63.1	74%	0.744	33%	0.329	S	S	*	.	H	α-helix	trans	-51.6	-32.9	-165.3	-60.5	167.9	0	0	0	113.3	T70 A71	I67-T70 WeakPolarHBondContact CA-OG1 3.43Å; I67-T70 PolarHBondContact N-OG1 3.43Å; I67-T70 CarbonylContact O-C 3.49Å; I67-T70 WeakPolarHBondContact O-CB 3.4Å; I67-T70 PolarHBondContact O-N 3.01Å; I67-A71 WeakPolarHBondContact O-CB 3.49Å; I67-A71 PolarHBondContact O-N 2.68Å
68	W	42.5	Very low	59.3	Low	198 Å²	198	69.4 Å²	69.4	75%	0.75	35%	0.351	S	S	*	.	H	α-helix	trans	-80.1	-25.7	179.4	-64.4	103.6	0	0	0	114.9	G66	G66-W68 PolarHBondContact O-N 3.44Å
69	G	51.5	Low	57.8	Low	8 Å²	8	65.4 Å²	65.4	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-80.3	-31.9	164.8	0	0	0	0	0	112.1	G66 A72 F73	G66-G69 WeakPolarHBondContact O-CA 3.29Å; G66-G69 PolarHBondContact O-N 2.72Å; G69-A72 PolarHBondContact O-N 3.05Å; G69-F73 PolarHBondContact O-N 2.99Å
70	T	46.9	Very low	56	Low	56 Å²	56	73.7 Å²	73.7	34%	0.344	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-41.7	172.2	-39	0	0	0	0	109.4	G66 I67 A72 F73 P74	G66-T70 PolarHBondContact O-N 3.48Å; G66-T70 PolarHBondContact O-OG1 3.27Å; I67-T70 WeakPolarHBondContact CA-OG1 3.43Å; I67-T70 PolarHBondContact N-OG1 3.43Å; I67-T70 CarbonylContact O-C 3.49Å; I67-T70 WeakPolarHBondContact O-CB 3.4Å; I67-T70 PolarHBondContact O-N 3.01Å; T70-A72 PolarHBondContact O-N 3.25Å; T70-F73 CarbonylContact O-C 3.12Å; T70-F73 PolarHBondContact O-N 3.34Å; T70-P74 WeakPolarHBondContact CG2-O 3.34Å; T70-P74 WeakPolarHBondContact O-CA 3.11Å; T70-P74 WeakPolarHBondContact O-CD 3.02Å; T70-P74 WeakPolarHBondContact O-CG 3.04Å
71	A	44.9	Very low	54.1	Low	74 Å²	74	76 Å²	76	61%	0.612	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.6	179.6	0	0	0	0	0	114.8	I67	I67-A71 WeakPolarHBondContact O-CB 3.49Å; I67-A71 PolarHBondContact O-N 2.68Å
72	A	48.8	Very low	52.1	Low	40 Å²	40	79 Å²	79	33%	0.331	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-22.2	173.3	0	0	0	0	0	113.5	Y59 G69 T70	Y59-A72 WeakPolarHBondContact OH-CB 3.15Å; G69-A72 PolarHBondContact O-N 3.05Å; T70-A72 PolarHBondContact O-N 3.25Å
73	F	54.5	Low	50	Low	12 Å²	12	86 Å²	86	5%	0.053	46%	0.464	C	S	.	.	S	Bend	trans	-135.6	69.1	176.9	-55.7	-72.2	0	0	0	109.9	Y59 F63 G69 T70 D75 I76 S162 V163 Y166	Y59-F73 HydrophobicContact CE1-CE2 4.14Å; F63-F73 HydrophobicContact CD1-CE2 4.01Å; F63-F73 HydrophobicContact CE1-CE2 4.3Å; F63-F73 HydrophobicContact CE1-CZ 4.36Å; G69-F73 PolarHBondContact O-N 2.99Å; T70-F73 CarbonylContact O-C 3.12Å; T70-F73 PolarHBondContact O-N 3.34Å; F73-D75 VanDerWaalsContact C-N 3.32Å; F73-D75 PolarHBondContact O-N 3.47Å; F73-D75 VanDerWaalsContact O-N 3.13Å; F73-I76 HydrophobicContact CB-CD1 4.14Å; F73-I76 HydrophobicContact CB-CG1 4.35Å; F73-I76 HydrophobicContact CD1-CD1 3.88Å; F73-I76 HydrophobicContact CG-CD1 4.42Å; F73-S162 WeakPolarHBondContact CE1-O 3.45Å; F73-S162 WeakPolarHBondContact CZ-O 3.44Å; F73-V163 HydrophobicContact CD1-CG2 4.04Å; F73-V163 HydrophobicContact CE1-CB 4.45Å; F73-V163 HydrophobicContact CE1-CG2 3.94Å; F73-Y166 HydrophobicContact CD1-CG 4.19Å; F73-Y166 AromaticContact CD2-CD2 3.89Å; F73-Y166 HydrophobicContact CD2-CD2 3.89Å; F73-Y166 HydrophobicContact CD2-CE2 4.27Å; F73-Y166 HydrophobicContact CD2-CG 4.29Å; F73-Y166 HydrophobicContact CE1-CG 4.26Å; F73-Y166 HydrophobicContact CE2-CD2 4Å; F73-Y166 HydrophobicContact CE2-CG 4.34Å; F73-Y166 HydrophobicContact CG-CD2 4.19Å; F73-Y166 HydrophobicContact CG-CG 4.19Å; F73-Y166 HydrophobicContact CZ-CD2 4.4Å; F73-Y166 HydrophobicContact CZ-CG 4.32Å
74	P	41	Very low	48.3	Very low	74 Å²	74	87.9 Å²	87.9	48%	0.481	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-41.7	-163.9	-28.3	33.6	0	0	0	114.9	T70	T70-P74 WeakPolarHBondContact CG2-O 3.34Å; T70-P74 WeakPolarHBondContact O-CA 3.11Å; T70-P74 WeakPolarHBondContact O-CD 3.02Å; T70-P74 WeakPolarHBondContact O-CG 3.04Å
75	D	40.4	Very low	47.1	Very low	73 Å²	73	91.9 Å²	91.9	39%	0.39	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.6	45.6	-168.4	-66.2	-58.3	0	0	0	112.5	F73 Y87	F73-D75 VanDerWaalsContact C-N 3.32Å; F73-D75 PolarHBondContact O-N 3.47Å; F73-D75 VanDerWaalsContact O-N 3.13Å; D75-Y87 PolarHBondContact O-N 2.86Å
76	I	45.7	Very low	46.5	Very low	11 Å²	11	85.8 Å²	85.8	6%	0.056	48%	0.476	C	S	.	.	S	Bend	trans	-82.7	-29.2	175.9	-58.1	-170.8	0	0	0	112.1	F73 W90 V163 Y166 L167	F73-I76 HydrophobicContact CB-CD1 4.14Å; F73-I76 HydrophobicContact CB-CG1 4.35Å; F73-I76 HydrophobicContact CD1-CD1 3.88Å; F73-I76 HydrophobicContact CG-CD1 4.42Å; I76-W90 HydrophobicContact CD1-CD2 4.43Å; I76-W90 HydrophobicContact CD1-CG 4.43Å; I76-W90 HydrophobicContact CG1-CG 4.14Å; I76-V163 HydrophobicContact CD1-CG1 3.87Å; I76-V163 HydrophobicContact CD1-CG2 4.46Å; I76-Y166 HydrophobicContact CB-CD1 4.32Å; I76-Y166 HydrophobicContact CB-CE1 3.76Å; I76-Y166 HydrophobicContact CD1-CD1 3.91Å; I76-Y166 HydrophobicContact CD1-CE1 4.2Å; I76-Y166 HydrophobicContact CG1-CE1 4.5Å; I76-Y166 HydrophobicContact CG2-CD1 3.99Å; I76-Y166 HydrophobicContact CG2-CE1 3.58Å; I76-L167 HydrophobicContact CD1-CG 4.48Å; I76-L167 HydrophobicContact CG2-CD2 3.28Å; I76-L167 HydrophobicContact CG2-CG 4.19Å
77	I	36.2	Very low	46.4	Very low	90 Å²	90	87.8 Å²	87.8	46%	0.462	47%	0.47	S	S	.	.	S	Bend	trans	-131.1	112.3	-170.4	-55.7	-168.9	0	0	0	112.6	Y166 T170	I77-Y166 HydrophobicContact CD1-CE1 3.69Å; I77-Y166 WeakPolarHBondContact CD1-OH 3.02Å; I77-Y166 HydrophobicContact CG1-CE1 3.9Å; I77-Y166 WeakPolarHBondContact CG1-OH 3.17Å; I77-T170 HydrophobicContact CD1-CG2 4.45Å
78	R	37.3	Very low	47.3	Very low	217 Å²	217	84.1 Å²	84.1	82%	0.819	46%	0.457	S	S	*	.			trans	80.8	73.4	172.3	-68.9	178.2	172.5	-178.5	-3.3	116.2	L80	R78-L80 PolarHBondContact O-N 3.42Å; R78-L80 VanDerWaalsContact O-N 3.1Å
79	G	37.6	Very low	48.8	Very low	32 Å²	32	76 Å²	76	33%	0.33	43%	0.427	S	S	.	.			trans	-56.4	114	153.4	0	0	0	0	0	109.6	S81	G79-S81 PolarHBondContact O-N 2.03Å
80	L	41.7	Very low	50	Low	186 Å²	186	76.5 Å²	76.5	97%	0.974	43%	0.427	S	S	*	.	S	Bend	trans	-72.8	-5.8	163.1	-83.2	133.3	0	0	0	111.3	R78	R78-L80 PolarHBondContact O-N 3.42Å; R78-L80 VanDerWaalsContact O-N 3.1Å
81	S	42	Very low	51.4	Low	71 Å²	71	77.6 Å²	77.6	50%	0.497	43%	0.43	S	S	.	.	S	Bend	trans	-145.6	141.1	176.7	64.4	0	0	0	0	111.1	G79 N83 D84	G79-S81 PolarHBondContact O-N 2.03Å; S81-N83 PolarHBondContact O-N 2.04Å; S81-D84 PolarHBondContact O-N 3.46Å
82	D	43.3	Very low	53.1	Low	169 Å²	169	78.9 Å²	78.9	90%	0.904	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-9	175.9	-70.6	-36.3	0	0	0	114.7
83	N	43.1	Very low	54.8	Low	150 Å²	150	77.1 Å²	77.1	80%	0.802	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	9.7	-176	-102.7	3.7	0	0	0	115.2	S81 T85	S81-N83 PolarHBondContact O-N 2.04Å; N83-T85 PolarHBondContact O-N 3.37Å
84	D	52.6	Low	56	Low	42 Å²	42	79.2 Å²	79.2	23%	0.225	42%	0.419	C	S	.	.			trans	-77.3	109.1	178.6	-144.2	-21.9	0	0	0	110.9	S81 G86 Y87 S88	S81-D84 PolarHBondContact O-N 3.46Å; D84-G86 PolarHBondContact O-N 3.12Å; D84-Y87 PolarHBondContact O-N 3.26Å; D84-S88 PolarHBondContact O-N 3.12Å; D84-S88 PolarHBondContact O-OG 3.42Å; D84-S88 VanDerWaalsContact O-OG 3.1Å
85	T	55.7	Low	57.9	Low	105 Å²	105	79.7 Å²	79.7	64%	0.644	42%	0.424	S	S	*	.	H	α-helix	trans	-65	-27.2	-174.4	49.9	0	0	0	0	112.2	N83 S88 F89	N83-T85 PolarHBondContact O-N 3.37Å; T85-S88 PolarHBondContact O-OG 2.81Å; T85-F89 WeakPolarHBondContact O-CB 3.34Å; T85-F89 PolarHBondContact O-N 2.93Å
86	G	59.5	Low	60	Low	4 Å²	4	77.9 Å²	77.9	4%	0.041	41%	0.414	C	S	.	.	H	α-helix	trans	-71	-47.9	174	0	0	0	0	0	112.9	D84 F89 W90	D84-G86 PolarHBondContact O-N 3.12Å; G86-F89 WeakPolarHBondContact O-CB 3.43Å; G86-F89 PolarHBondContact O-N 3.3Å; G86-W90 PolarHBondContact O-N 2.92Å
87	Y	60.2	Low	62	Low	87 Å²	87	77.4 Å²	77.4	34%	0.341	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-47.6	-177.8	-178.8	-108.1	0	0	0	112.3	D75 D84 F89 W90 L91	D75-Y87 PolarHBondContact O-N 2.86Å; D84-Y87 PolarHBondContact O-N 3.26Å; Y87-F89 PolarHBondContact O-N 3.3Å; Y87-W90 PolarHBondContact O-N 3.33Å; Y87-L91 HydrophobicContact CD1-CD1 3.73Å; Y87-L91 HydrophobicContact CD1-CG 4.16Å; Y87-L91 HydrophobicContact CE1-CD1 3.35Å; Y87-L91 HydrophobicContact CE1-CD2 4.16Å; Y87-L91 HydrophobicContact CE1-CG 3.81Å; Y87-L91 HydrophobicContact CE2-CD2 4.38Å; Y87-L91 HydrophobicContact CE2-CG 4.37Å; Y87-L91 WeakPolarHBondContact O-CG 2.98Å; Y87-L91 PolarHBondContact O-N 3.41Å
88	S	67.5	Low	64.3	Low	67 Å²	67	74 Å²	74	47%	0.469	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-32.5	176.9	54.2	0	0	0	0	113	D84 T85	D84-S88 PolarHBondContact O-N 3.12Å; D84-S88 PolarHBondContact O-OG 3.42Å; D84-S88 VanDerWaalsContact O-OG 3.1Å; T85-S88 PolarHBondContact O-OG 2.81Å
89	F	73.9	Confident	66.5	Low	28 Å²	28	66.5 Å²	66.5	12%	0.123	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-47	174.9	176.6	-94.2	0	0	0	112	T85 G86 Y87 Y93 V148 I149 M152	T85-F89 WeakPolarHBondContact O-CB 3.34Å; T85-F89 PolarHBondContact O-N 2.93Å; G86-F89 WeakPolarHBondContact O-CB 3.43Å; G86-F89 PolarHBondContact O-N 3.3Å; Y87-F89 PolarHBondContact O-N 3.3Å; F89-Y93 HydrophobicContact CD1-CE2 4.41Å; F89-Y93 AromaticContact CE1-CE2 3.96Å; F89-Y93 HydrophobicContact CE1-CE2 3.96Å; F89-Y93 HydrophobicContact CE2-CE2 4.27Å; F89-Y93 AromaticContact CZ-CE2 3.88Å; F89-Y93 HydrophobicContact CZ-CE2 3.88Å; F89-Y93 WeakPolarHBondContact O-CD2 3.44Å; F89-V148 HydrophobicContact CD2-CG1 3.78Å; F89-V148 HydrophobicContact CE2-CG1 3.93Å; F89-I149 HydrophobicContact CE2-CG1 3.81Å; F89-I149 HydrophobicContact CZ-CB 4.39Å; F89-I149 HydrophobicContact CZ-CG1 3.83Å; F89-M152 HydrophobicContact CD1-CG 4.24Å; F89-M152 HydrophobicContact CE1-CB 4.22Å; F89-M152 HydrophobicContact CE1-CG 4.29Å; F89-M152 HydrophobicContact CG-CG 4.48Å
90	W	76.4	Confident	68.5	Low	18 Å²	18	69.7 Å²	69.7	7%	0.068	38%	0.376	C	S	.	.	H	α-helix	trans	-73.5	-30.7	-177.8	-66	114.8	0	0	0	113.7	I76 G86 Y87 K92 Y93 D94 F111 M152 L153 V163 L167	I76-W90 HydrophobicContact CD1-CD2 4.43Å; I76-W90 HydrophobicContact CD1-CG 4.43Å; I76-W90 HydrophobicContact CG1-CG 4.14Å; G86-W90 PolarHBondContact O-N 2.92Å; Y87-W90 PolarHBondContact O-N 3.33Å; W90-K92 PolarHBondContact O-N 3.09Å; W90-K92 VanDerWaalsContact O-N 3.14Å; W90-Y93 HydrophobicContact CE3-CD2 4.16Å; W90-Y93 HydrophobicContact CZ3-CD2 4.46Å; W90-Y93 PolarHBondContact O-N 3.27Å; W90-D94 PolarHBondContact O-N 3.17Å; W90-F111 HydrophobicContact CZ3-CE2 4.28Å; W90-F111 AromaticContact CZ3-CZ 3.97Å; W90-F111 HydrophobicContact CZ3-CZ 3.97Å; W90-M152 HydrophobicContact CZ2-CB 4.46Å; W90-L153 HydrophobicContact CH2-CD1 4.11Å; W90-L153 HydrophobicContact CH2-CD2 3.78Å; W90-L153 HydrophobicContact CH2-CG 4Å; W90-L153 HydrophobicContact CZ2-CD2 4.27Å; W90-V163 HydrophobicContact CD2-CG1 4.1Å; W90-V163 HydrophobicContact CE3-CG1 3.7Å; W90-V163 HydrophobicContact CH2-CB 4.09Å; W90-V163 HydrophobicContact CH2-CG1 3.51Å; W90-V163 HydrophobicContact CH2-CG2 3.97Å; W90-V163 HydrophobicContact CZ2-CB 4.49Å; W90-V163 HydrophobicContact CZ2-CG1 3.87Å; W90-V163 HydrophobicContact CZ2-CG2 3.99Å; W90-V163 HydrophobicContact CZ3-CB 4.36Å; W90-V163 HydrophobicContact CZ3-CG1 3.42Å; W90-V163 VanDerWaalsContact CZ3-CG1 3.42Å; W90-L167 HydrophobicContact CE3-CD1 4.16Å
91	L	76.6	Confident	70.3	Confident	80 Å²	80	65.4 Å²	65.4	42%	0.419	36%	0.361	S	S	.	.	H	α-helix	trans	-53.5	-33.9	176	-84.7	178.2	0	0	0	113.5	Y87 Y93 D94	Y87-L91 HydrophobicContact CD1-CD1 3.73Å; Y87-L91 HydrophobicContact CD1-CG 4.16Å; Y87-L91 HydrophobicContact CE1-CD1 3.35Å; Y87-L91 HydrophobicContact CE1-CD2 4.16Å; Y87-L91 HydrophobicContact CE1-CG 3.81Å; Y87-L91 HydrophobicContact CE2-CD2 4.38Å; Y87-L91 HydrophobicContact CE2-CG 4.37Å; Y87-L91 WeakPolarHBondContact O-CG 2.98Å; Y87-L91 PolarHBondContact O-N 3.41Å; L91-Y93 PolarHBondContact O-N 2.03Å; L91-D94 WeakPolarHBondContact O-CB 3.42Å; L91-D94 PolarHBondContact O-N 3.12Å
92	K	81.1	Confident	72.2	Confident	100 Å²	100	65.7 Å²	65.7	44%	0.435	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.8	177.4	-175.7	-171.7	173.9	-161.4	0	112.6	W90 D118	W90-K92 PolarHBondContact O-N 3.09Å; W90-K92 VanDerWaalsContact O-N 3.14Å; K92-D118 IonicContact NZ-OD1 3.45Å; K92-D118 PolarHBondContact NZ-OD1 3.15Å; K92-D118 IonicContact NZ-OD2 2.73Å; K92-D118 PolarHBondContact NZ-OD2 3.38Å
93	Y	84	Confident	74.4	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.012	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.4	-179	-59.2	-83.3	0	0	0	112.6	F89 W90 L91 S95 I96 V97 F111 Q114 I115 D118	F89-Y93 HydrophobicContact CD1-CE2 4.41Å; F89-Y93 AromaticContact CE1-CE2 3.96Å; F89-Y93 HydrophobicContact CE1-CE2 3.96Å; F89-Y93 HydrophobicContact CE2-CE2 4.27Å; F89-Y93 AromaticContact CZ-CE2 3.88Å; F89-Y93 HydrophobicContact CZ-CE2 3.88Å; F89-Y93 WeakPolarHBondContact O-CD2 3.44Å; W90-Y93 HydrophobicContact CE3-CD2 4.16Å; W90-Y93 HydrophobicContact CZ3-CD2 4.46Å; W90-Y93 PolarHBondContact O-N 3.27Å; L91-Y93 PolarHBondContact O-N 2.03Å; Y93-S95 PolarHBondContact O-N 3.14Å; Y93-I96 WeakPolarHBondContact O-CA 2.99Å; Y93-I96 WeakPolarHBondContact O-CB 3.42Å; Y93-I96 PolarHBondContact O-N 2.85Å; Y93-V97 WeakPolarHBondContact O-CG2 3.45Å; Y93-V97 PolarHBondContact O-N 2.65Å; Y93-F111 AromaticContact CD1-CD2 3.97Å; Y93-F111 HydrophobicContact CD1-CD2 3.97Å; Y93-F111 AromaticContact CD1-CE2 3.84Å; Y93-F111 HydrophobicContact CD1-CE2 3.84Å; Y93-F111 HydrophobicContact CG-CD2 4.22Å; Y93-F111 AromaticContact CG-CE2 3.81Å; Y93-F111 HydrophobicContact CG-CE2 3.81Å; Y93-Q114 HydrophobicContact CD1-CB 4.27Å; Y93-Q114 HydrophobicContact CD1-CG 3.79Å; Y93-Q114 HydrophobicContact CE1-CB 4.19Å; Y93-Q114 HydrophobicContact CE1-CG 3.56Å; Y93-I115 HydrophobicContact CD1-CD1 4.08Å; Y93-I115 HydrophobicContact CD1-CG1 4.44Å; Y93-I115 HydrophobicContact CE1-CD1 3.41Å; Y93-I115 VanDerWaalsContact CE1-CD1 3.41Å; Y93-I115 HydrophobicContact CE1-CG1 3.92Å; Y93-I115 HydrophobicContact CE2-CD1 4.08Å; Y93-I115 VanDerWaalsContact CZ-CD1 3.41Å; Y93-D118 PolarHBondContact OH-OD2 3.29Å
94	D	80.2	Confident	76.6	Confident	56 Å²	56	54.6 Å²	54.6	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-58.5	-42.8	-168.7	-166.2	57.3	0	0	0	113.5	W90 L91 I96 K171	W90-D94 PolarHBondContact O-N 3.17Å; L91-D94 WeakPolarHBondContact O-CB 3.42Å; L91-D94 PolarHBondContact O-N 3.12Å; D94-I96 VanDerWaalsContact C-N 3.35Å; D94-K171 PolarHBondContact O-NZ 2.75Å; D94-K171 WeakPolarHBondContact OD1-CE 3.41Å; D94-K171 IonicContact OD1-NZ 3.68Å; D94-K171 PolarHBondContact OD1-NZ 3.39Å; D94-K171 IonicContact OD2-NZ 2.8Å; D94-K171 PolarHBondContact OD2-NZ 3.37Å
95	S	81.2	Confident	78.4	Confident	84 Å²	84	59.7 Å²	59.7	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-78.7	-17.3	176.6	57.2	0	0	0	0	113.8	Y93	Y93-S95 PolarHBondContact O-N 3.14Å
96	I	85.2	Confident	80.1	Confident	36 Å²	36	58.9 Å²	58.9	19%	0.185	30%	0.295	C	S	.	.	H	α-helix	trans	-86.5	-40	179.8	-58.5	175.1	0	0	0	109.8	Y93 D94 N110 Q114	Y93-I96 WeakPolarHBondContact O-CA 2.99Å; Y93-I96 WeakPolarHBondContact O-CB 3.42Å; Y93-I96 PolarHBondContact O-N 2.85Å; D94-I96 VanDerWaalsContact C-N 3.35Å; I96-N110 HydrophobicContact CG2-CB 4Å; I96-Q114 HydrophobicContact CD1-CB 3.96Å; I96-Q114 HydrophobicContact CD1-CG 3.45Å; I96-Q114 VanDerWaalsContact CD1-CG 3.45Å; I96-Q114 HydrophobicContact CG2-CB 4.28Å
97	V	86.4	Confident	81.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-47.9	179.7	171.9	0	0	0	0	110.2	Y93 S107 F111 F164 L167 W168	Y93-V97 WeakPolarHBondContact O-CG2 3.45Å; Y93-V97 PolarHBondContact O-N 2.65Å; V97-S107 WeakPolarHBondContact O-CB 3.45Å; V97-S107 PolarHBondContact O-OG 3.41Å; V97-F111 HydrophobicContact CG2-CB 4.23Å; V97-F111 HydrophobicContact CG2-CD2 3.39Å; V97-F111 HydrophobicContact CG2-CE2 3.87Å; V97-F111 HydrophobicContact CG2-CG 3.9Å; V97-F164 HydrophobicContact CG1-CD2 3.98Å; V97-F164 HydrophobicContact CG1-CE2 3.94Å; V97-F164 HydrophobicContact CG2-CD2 4.41Å; V97-L167 HydrophobicContact CB-CB 4.45Å; V97-L167 HydrophobicContact CG1-CB 3.69Å; V97-L167 HydrophobicContact CG2-CB 4.42Å; V97-L167 HydrophobicContact CG2-CD1 4.04Å; V97-W168 HydrophobicContact CG1-CB 3.87Å
98	F	85.2	Confident	83.2	Confident	19 Å²	19	54.7 Å²	54.7	8%	0.083	28%	0.278	C	S	.	.			trans	-128.8	120.7	-175.2	-169.8	-97.3	0	0	0	112	E100 W168 K171 V172 N175 F179 F187	F98-E100 HydrophobicContact CE1-CG 4.4Å; F98-W168 AromaticContact CD2-CD1 3.83Å; F98-W168 HydrophobicContact CD2-CG 4.45Å; F98-W168 AromaticContact CD2-NE1 3.77Å; F98-K171 HydrophobicContact CB-CB 4.01Å; F98-K171 HydrophobicContact CB-CD 3.44Å; F98-K171 VanDerWaalsContact CB-CD 3.44Å; F98-K171 HydrophobicContact CB-CG 4.42Å; F98-K171 HydrophobicContact CD1-CB 4.11Å; F98-K171 HydrophobicContact CD1-CD 4.29Å; F98-K171 HydrophobicContact CD2-CB 4.17Å; F98-K171 HydrophobicContact CG-CB 3.8Å; F98-K171 HydrophobicContact CG-CD 4.02Å; F98-V172 HydrophobicContact CD2-CB 4.32Å; F98-V172 HydrophobicContact CE2-CB 3.61Å; F98-V172 HydrophobicContact CE2-CG2 3.83Å; F98-V172 HydrophobicContact CZ-CB 4.24Å; F98-V172 HydrophobicContact CZ-CG2 4.26Å; F98-N175 HydrophobicContact CE1-CB 4.41Å; F98-F179 HydrophobicContact CE1-CZ 4.28Å; F98-F179 HydrophobicContact CZ-CE2 4.39Å; F98-F179 AromaticContact CZ-CZ 3.77Å; F98-F179 HydrophobicContact CZ-CZ 3.77Å; F98-F187 HydrophobicContact CE2-CE1 4.49Å
99	N	83.7	Confident	84.4	Confident	60 Å²	60	53.8 Å²	53.8	32%	0.321	27%	0.268	S	S	.	.			trans	-138.5	137.8	167.9	-178.4	-26.1	0	0	0	106.4	S101 Y102	N99-S101 PolarHBondContact O-N 2.02Å; N99-S101 PolarHBondContact OD1-N 2.95Å; N99-S101 PolarHBondContact OD1-OG 2.72Å; N99-Y102 HydrophobicContact CB-CD2 3.44Å; N99-Y102 VanDerWaalsContact CB-CD2 3.44Å; N99-Y102 HydrophobicContact CB-CE2 3.84Å; N99-Y102 HydrophobicContact CB-CG 4.18Å; N99-Y102 PolarHBondContact O-N 3.41Å
100	E	78.6	Confident	85.2	Confident	99 Å²	99	55 Å²	55	46%	0.463	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.3	179.8	-57.2	-177.6	176.2	0	0	113.5	F98 F179	F98-E100 HydrophobicContact CE1-CG 4.4Å; E100-F179 HydrophobicContact CG-CE1 3.86Å; E100-F179 HydrophobicContact CG-CZ 4.46Å
101	S	79.5	Confident	86	Confident	95 Å²	95	54.1 Å²	54.1	66%	0.664	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-16.3	177.4	-55	0	0	0	0	113.9	N99	N99-S101 PolarHBondContact O-N 2.02Å; N99-S101 PolarHBondContact OD1-N 2.95Å; N99-S101 PolarHBondContact OD1-OG 2.72Å
102	Y	82.6	Confident	86.8	Confident	77 Å²	77	51.6 Å²	51.6	30%	0.302	26%	0.257	S	S	.	.			trans	-105.5	134.4	-173.8	-60.6	-38.7	0	0	0	111.9	N99 E106 S107	N99-Y102 HydrophobicContact CB-CD2 3.44Å; N99-Y102 VanDerWaalsContact CB-CD2 3.44Å; N99-Y102 HydrophobicContact CB-CE2 3.84Å; N99-Y102 HydrophobicContact CB-CG 4.18Å; N99-Y102 PolarHBondContact O-N 3.41Å; Y102-E106 HydrophobicContact CD1-CG 4.02Å; Y102-E106 WeakPolarHBondContact CD1-OE1 3.33Å; Y102-E106 WeakPolarHBondContact CD1-OE2 3.34Å; Y102-E106 WeakPolarHBondContact CE1-OE1 3.29Å; Y102-E106 HydrophobicContact CG-CG 4.36Å; Y102-S107 WeakPolarHBondContact CB-OG 3.28Å
103	R	88.9	Confident	87.3	Confident	76 Å²	76	50.4 Å²	50.4	29%	0.287	26%	0.256	S	S	.	.			trans	-79.8	161.3	171.9	-60.8	-62.8	-64.4	-113.6	-4.8	110.5	K105 E106 S107 D186 D190	R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 2.83Å; R103-K105 VanDerWaalsContact O-N 3.14Å; R103-E106 PolarHBondContact O-N 2.9Å; R103-S107 PolarHBondContact O-N 3.45Å; R103-D186 IonicContact NH1-OD1 2.97Å; R103-D186 PolarHBondContact NH1-OD1 3.2Å; R103-D186 IonicContact NH1-OD2 3.34Å; R103-D186 PolarHBondContact NH2-O 2.77Å; R103-D190 WeakPolarHBondContact CA-OD2 3.04Å; R103-D190 WeakPolarHBondContact CB-OD2 2.98Å; R103-D190 IonicContact CZ-OD1 2.78Å; R103-D190 IonicContact CZ-OD2 3.36Å; R103-D190 VanDerWaalsContact NE-CG 3.32Å; R103-D190 IonicContact NE-OD1 2.79Å; R103-D190 PolarHBondContact NE-OD1 2.91Å; R103-D190 IonicContact NE-OD2 3.05Å; R103-D190 PolarHBondContact NE-OD2 3.11Å; R103-D190 IonicContact NH2-OD1 3.35Å; R103-D190 PolarHBondContact NH2-OD1 2.88Å; R103-D190 IonicContact NH2-OD2 3.83Å
104	F	89.6	Confident	87.7	Confident	11 Å²	11	52.9 Å²	52.9	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-46.7	-49.9	-174.8	179.3	-98.9	0	0	0	114.1	E106 F108 F164 W168 D190 G194	F104-E106 PolarHBondContact O-N 3.38Å; F104-F108 WeakPolarHBondContact O-CB 3.4Å; F104-F108 PolarHBondContact O-N 2.92Å; F104-F164 AromaticContact CD2-CE1 3.82Å; F104-F164 HydrophobicContact CD2-CE1 3.82Å; F104-F164 HydrophobicContact CD2-CZ 4.28Å; F104-F164 HydrophobicContact CE1-CE1 4.29Å; F104-F164 HydrophobicContact CE2-CD1 4.2Å; F104-F164 AromaticContact CE2-CE1 3.44Å; F104-F164 HydrophobicContact CE2-CE1 3.44Å; F104-F164 VanDerWaalsContact CE2-CE1 3.44Å; F104-F164 HydrophobicContact CE2-CZ 4.3Å; F104-F164 HydrophobicContact CG-CE1 4.41Å; F104-F164 HydrophobicContact CZ-CD1 4.24Å; F104-F164 AromaticContact CZ-CE1 3.69Å; F104-F164 HydrophobicContact CZ-CE1 3.69Å; F104-F164 WeakPolarHBondContact O-CZ 3.46Å; F104-W168 HydrophobicContact CB-CH2 4.1Å; F104-W168 HydrophobicContact CB-CZ2 3.89Å; F104-W168 AromaticContact CD2-CD2 3.59Å; F104-W168 HydrophobicContact CD2-CD2 3.59Å; F104-W168 AromaticContact CD2-CE2 3.88Å; F104-W168 AromaticContact CD2-CE3 3.44Å; F104-W168 HydrophobicContact CD2-CE3 3.44Å; F104-W168 VanDerWaalsContact CD2-CE3 3.44Å; F104-W168 HydrophobicContact CD2-CG 4.25Å; F104-W168 AromaticContact CD2-CH2 3.94Å; F104-W168 HydrophobicContact CD2-CH2 3.94Å; F104-W168 HydrophobicContact CD2-CZ2 4.06Å; F104-W168 AromaticContact CD2-CZ3 3.6Å; F104-W168 HydrophobicContact CD2-CZ3 3.6Å; F104-W168 HydrophobicContact CE2-CD2 4.19Å; F104-W168 AromaticContact CE2-CE3 3.85Å; F104-W168 HydrophobicContact CE2-CE3 3.85Å; F104-W168 HydrophobicContact CE2-CZ3 4.24Å; F104-D190 HydrophobicContact CB-CB 3.88Å; F104-D190 PolarHBondContact N-OD2 3.42Å; F104-G194 VanDerWaalsContact CE2-CA 3.44Å
105	K	90.3	Very high	88.2	Confident	148 Å²	148	50.2 Å²	50.2	64%	0.643	25%	0.253	S	S	*	.	H	α-helix	trans	-67.1	-36	-177.8	-173	177.6	-179.2	-178.7	0	112.7	R103 N109	R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 2.83Å; R103-K105 VanDerWaalsContact O-N 3.14Å; K105-N109 VanDerWaalsContact O-CG 3.24Å; K105-N109 PolarHBondContact O-N 2.02Å; K105-N109 PolarHBondContact O-ND2 3Å; K105-N109 VanDerWaalsContact O-ND2 3.13Å
106	E	91.1	Very high	88.7	Confident	88 Å²	88	48.8 Å²	48.8	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-71.4	-47.7	178.1	-174.6	176.7	-170.6	0	0	110.7	Y102 R103 F104 F108 N109 N110	Y102-E106 HydrophobicContact CD1-CG 4.02Å; Y102-E106 WeakPolarHBondContact CD1-OE1 3.33Å; Y102-E106 WeakPolarHBondContact CD1-OE2 3.34Å; Y102-E106 WeakPolarHBondContact CE1-OE1 3.29Å; Y102-E106 HydrophobicContact CG-CG 4.36Å; R103-E106 PolarHBondContact O-N 2.9Å; F104-E106 PolarHBondContact O-N 3.38Å; E106-F108 VanDerWaalsContact C-N 3.27Å; E106-F108 PolarHBondContact O-N 2.99Å; E106-N109 PolarHBondContact O-N 3.47Å; E106-N109 VanDerWaalsContact O-N 3.12Å; E106-N110 PolarHBondContact O-N 3.44Å
107	S	92.2	Very high	89	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-51.4	-45.4	170.4	-81.8	0	0	0	0	112.2	V97 Y102 R103 N110 F111 F164	V97-S107 WeakPolarHBondContact O-CB 3.45Å; V97-S107 PolarHBondContact O-OG 3.41Å; Y102-S107 WeakPolarHBondContact CB-OG 3.28Å; R103-S107 PolarHBondContact O-N 3.45Å; S107-N110 PolarHBondContact O-N 3.06Å; S107-F111 WeakPolarHBondContact O-CB 3.5Å; S107-F111 PolarHBondContact O-N 2.92Å; S107-F164 VanDerWaalsContact C-CE2 3.44Å
108	F	92.7	Very high	89.1	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-46.8	177.2	177.1	-105.3	0	0	0	112	V36 K37 S38 F104 E106 N110 F111 R112 I160 F164	V36-F108 HydrophobicContact CG1-CZ 4.11Å; K37-F108 VanDerWaalsContact C-CZ 3.49Å; S38-F108 VanDerWaalsContact N-CE1 3.26Å; S38-F108 VanDerWaalsContact N-CZ 3.32Å; F104-F108 WeakPolarHBondContact O-CB 3.4Å; F104-F108 PolarHBondContact O-N 2.92Å; E106-F108 VanDerWaalsContact C-N 3.27Å; E106-F108 PolarHBondContact O-N 2.99Å; F108-N110 VanDerWaalsContact C-N 3.32Å; F108-N110 PolarHBondContact O-N 2.9Å; F108-F111 PolarHBondContact O-N 3.21Å; F108-R112 VanDerWaalsContact O-CB 3.23Å; F108-R112 WeakPolarHBondContact O-CB 3.48Å; F108-R112 PolarHBondContact O-N 2.78Å; F108-I160 HydrophobicContact CE2-CG2 4.4Å; F108-F164 VanDerWaalsContact CA-CE2 3.46Å; F108-F164 VanDerWaalsContact CA-CZ 3.45Å; F108-F164 HydrophobicContact CB-CD1 4.01Å; F108-F164 HydrophobicContact CB-CD2 4.49Å; F108-F164 HydrophobicContact CB-CE1 3.56Å; F108-F164 HydrophobicContact CB-CE2 4.13Å; F108-F164 HydrophobicContact CB-CG 4.45Å; F108-F164 HydrophobicContact CB-CZ 3.65Å; F108-F164 HydrophobicContact CD2-CB 4.09Å; F108-F164 AromaticContact CD2-CD1 3.5Å; F108-F164 HydrophobicContact CD2-CD1 3.5Å; F108-F164 VanDerWaalsContact CD2-CD1 3.5Å; F108-F164 HydrophobicContact CD2-CD2 4.29Å; F108-F164 AromaticContact CD2-CE1 3.98Å; F108-F164 HydrophobicContact CD2-CE1 3.98Å; F108-F164 AromaticContact CD2-CG 3.66Å; F108-F164 HydrophobicContact CD2-CG 3.66Å; F108-F164 HydrophobicContact CE2-CB 4.48Å; F108-F164 HydrophobicContact CE2-CD1 4.44Å; F108-F164 HydrophobicContact CE2-CG 4.5Å; F108-F164 HydrophobicContact CG-CD1 4.21Å; F108-F164 HydrophobicContact CG-CE1 4.23Å
109	N	92.2	Very high	89.3	Confident	49 Å²	49	49 Å²	49	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-41.8	178.9	-73.4	-33.6	0	0	0	111.3	K105 E106 R112 N113	K105-N109 VanDerWaalsContact O-CG 3.24Å; K105-N109 PolarHBondContact O-N 2.02Å; K105-N109 PolarHBondContact O-ND2 3Å; K105-N109 VanDerWaalsContact O-ND2 3.13Å; E106-N109 PolarHBondContact O-N 3.47Å; E106-N109 VanDerWaalsContact O-N 3.12Å; N109-R112 PolarHBondContact O-N 3.4Å; N109-R112 PolarHBondContact OD1-NH2 3.42Å; N109-N113 WeakPolarHBondContact O-CB 2.94Å; N109-N113 PolarHBondContact O-N 3.12Å; N109-N113 PolarHBondContact O-ND2 2.9Å; N109-N113 PolarHBondContact O-OD1 3.42Å
110	N	92.3	Very high	89.6	Confident	53 Å²	53	46.4 Å²	46.4	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-48.1	176.9	-71.6	-16.6	0	0	0	111.2	I96 E106 S107 F108 N113 Q114	I96-N110 HydrophobicContact CG2-CB 4Å; E106-N110 PolarHBondContact O-N 3.44Å; S107-N110 PolarHBondContact O-N 3.06Å; F108-N110 VanDerWaalsContact C-N 3.32Å; F108-N110 PolarHBondContact O-N 2.9Å; N110-N113 PolarHBondContact O-N 3.26Å; N110-Q114 WeakPolarHBondContact O-CB 3.43Å; N110-Q114 PolarHBondContact O-N 2.89Å
111	F	92.4	Very high	90.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-49.7	176.2	175.5	-112.7	0	0	0	112	W90 Y93 V97 S107 F108 N113 Q114 I115 I160 V163 F164	W90-F111 HydrophobicContact CZ3-CE2 4.28Å; W90-F111 AromaticContact CZ3-CZ 3.97Å; W90-F111 HydrophobicContact CZ3-CZ 3.97Å; Y93-F111 AromaticContact CD1-CD2 3.97Å; Y93-F111 HydrophobicContact CD1-CD2 3.97Å; Y93-F111 AromaticContact CD1-CE2 3.84Å; Y93-F111 HydrophobicContact CD1-CE2 3.84Å; Y93-F111 HydrophobicContact CG-CD2 4.22Å; Y93-F111 AromaticContact CG-CE2 3.81Å; Y93-F111 HydrophobicContact CG-CE2 3.81Å; V97-F111 HydrophobicContact CG2-CB 4.23Å; V97-F111 HydrophobicContact CG2-CD2 3.39Å; V97-F111 HydrophobicContact CG2-CE2 3.87Å; V97-F111 HydrophobicContact CG2-CG 3.9Å; S107-F111 WeakPolarHBondContact O-CB 3.5Å; S107-F111 PolarHBondContact O-N 2.92Å; F108-F111 PolarHBondContact O-N 3.21Å; F111-N113 PolarHBondContact O-N 2.99Å; F111-Q114 WeakPolarHBondContact O-CB 3.44Å; F111-Q114 PolarHBondContact O-N 2.83Å; F111-I115 HydrophobicContact CD2-CG1 4.4Å; F111-I115 HydrophobicContact CE1-CG1 4.3Å; F111-I115 HydrophobicContact CE2-CD1 4.12Å; F111-I115 HydrophobicContact CE2-CG1 4.04Å; F111-I115 HydrophobicContact CZ-CD1 4.1Å; F111-I115 HydrophobicContact CZ-CG1 4Å; F111-I115 WeakPolarHBondContact O-CG1 3.3Å; F111-I115 PolarHBondContact O-N 3.26Å; F111-I160 HydrophobicContact CD1-CG2 4.13Å; F111-I160 HydrophobicContact CE1-CG2 3.8Å; F111-V163 HydrophobicContact CZ-CG1 4.38Å; F111-F164 HydrophobicContact CB-CD2 3.88Å; F111-F164 HydrophobicContact CB-CE2 4.33Å; F111-F164 HydrophobicContact CD1-CB 3.69Å; F111-F164 AromaticContact CD1-CD2 3.84Å; F111-F164 HydrophobicContact CD1-CD2 3.84Å; F111-F164 HydrophobicContact CD1-CG 4.15Å; F111-F164 HydrophobicContact CE1-CB 3.81Å; F111-F164 AromaticContact CG-CD2 3.99Å; F111-F164 HydrophobicContact CG-CD2 3.99Å
112	R	92.9	Very high	90.6	Very high	27 Å²	27	40.5 Å²	40.5	10%	0.102	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-43.7	178.7	-174.3	-172.2	72.3	-166.1	-13	112.2	F29 P33 V36 F108 N109 Q114 I115 Y116	F29-R112 HydrophobicContact CE2-CG 3.92Å; F29-R112 HydrophobicContact CZ-CG 4.38Å; P33-R112 WeakPolarHBondContact O-CD 3.35Å; P33-R112 PolarHBondContact O-NE 2.98Å; V36-R112 PolarHBondContact O-NH1 3.37Å; F108-R112 VanDerWaalsContact O-CB 3.23Å; F108-R112 WeakPolarHBondContact O-CB 3.48Å; F108-R112 PolarHBondContact O-N 2.78Å; N109-R112 PolarHBondContact O-N 3.4Å; N109-R112 PolarHBondContact OD1-NH2 3.42Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 2.78Å; R112-I115 PolarHBondContact O-N 2.85Å; R112-Y116 WeakPolarHBondContact O-CB 3.4Å; R112-Y116 PolarHBondContact O-N 3.4Å
113	N	92.4	Very high	90.8	Very high	75 Å²	75	40.9 Å²	40.9	40%	0.401	20%	0.199	S	C	.	.	H	α-helix	trans	-67.1	-34	178.5	-69.6	-12	0	0	0	111.6	N109 N110 F111 Y116 S117	N109-N113 WeakPolarHBondContact O-CB 2.94Å; N109-N113 PolarHBondContact O-N 3.12Å; N109-N113 PolarHBondContact O-ND2 2.9Å; N109-N113 PolarHBondContact O-OD1 3.42Å; N110-N113 PolarHBondContact O-N 3.26Å; F111-N113 PolarHBondContact O-N 2.99Å; N113-Y116 WeakPolarHBondContact O-CB 3.1Å; N113-Y116 PolarHBondContact O-N 2.87Å; N113-S117 WeakPolarHBondContact O-CB 3.48Å; N113-S117 PolarHBondContact O-N 2.82Å
114	Q	91.6	Very high	90.8	Very high	55 Å²	55	43.3 Å²	43.3	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-66.1	-47.2	173.4	-174.6	65.6	36.4	0	0	111.5	Y93 I96 N110 F111 R112 Y116 S117 D118	Y93-Q114 HydrophobicContact CD1-CB 4.27Å; Y93-Q114 HydrophobicContact CD1-CG 3.79Å; Y93-Q114 HydrophobicContact CE1-CB 4.19Å; Y93-Q114 HydrophobicContact CE1-CG 3.56Å; I96-Q114 HydrophobicContact CD1-CB 3.96Å; I96-Q114 HydrophobicContact CD1-CG 3.45Å; I96-Q114 VanDerWaalsContact CD1-CG 3.45Å; I96-Q114 HydrophobicContact CG2-CB 4.28Å; N110-Q114 WeakPolarHBondContact O-CB 3.43Å; N110-Q114 PolarHBondContact O-N 2.89Å; F111-Q114 WeakPolarHBondContact O-CB 3.44Å; F111-Q114 PolarHBondContact O-N 2.83Å; R112-Q114 VanDerWaalsContact C-N 3.31Å; R112-Q114 PolarHBondContact O-N 2.78Å; Q114-Y116 VanDerWaalsContact C-N 3.27Å; Q114-Y116 PolarHBondContact O-N 2.04Å; Q114-S117 WeakPolarHBondContact O-CB 3.23Å; Q114-S117 PolarHBondContact O-N 3.49Å; Q114-S117 VanDerWaalsContact O-N 3.17Å; Q114-D118 PolarHBondContact NE2-OD1 3.17Å; Q114-D118 PolarHBondContact NE2-OD2 3.03Å; Q114-D118 PolarHBondContact O-N 2.87Å
115	I	91.2	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-43.2	175.9	-65.4	-76	0	0	0	110.3	W26 F29 Y93 F111 R112 D118 S119 I149 L153 I160	W26-I115 HydrophobicContact CH2-CG2 4.18Å; W26-I115 HydrophobicContact CZ3-CG2 4.45Å; F29-I115 HydrophobicContact CE1-CG2 3.93Å; F29-I115 HydrophobicContact CZ-CB 4.38Å; F29-I115 HydrophobicContact CZ-CG2 3.96Å; Y93-I115 HydrophobicContact CD1-CD1 4.08Å; Y93-I115 HydrophobicContact CD1-CG1 4.44Å; Y93-I115 HydrophobicContact CE1-CD1 3.41Å; Y93-I115 VanDerWaalsContact CE1-CD1 3.41Å; Y93-I115 HydrophobicContact CE1-CG1 3.92Å; Y93-I115 HydrophobicContact CE2-CD1 4.08Å; Y93-I115 VanDerWaalsContact CZ-CD1 3.41Å; F111-I115 HydrophobicContact CD2-CG1 4.4Å; F111-I115 HydrophobicContact CE1-CG1 4.3Å; F111-I115 HydrophobicContact CE2-CD1 4.12Å; F111-I115 HydrophobicContact CE2-CG1 4.04Å; F111-I115 HydrophobicContact CZ-CD1 4.1Å; F111-I115 HydrophobicContact CZ-CG1 4Å; F111-I115 WeakPolarHBondContact O-CG1 3.3Å; F111-I115 PolarHBondContact O-N 3.26Å; R112-I115 PolarHBondContact O-N 2.85Å; I115-D118 PolarHBondContact O-N 3.19Å; I115-S119 VanDerWaalsContact O-CB 3.25Å; I115-S119 WeakPolarHBondContact O-CB 3.33Å; I115-S119 PolarHBondContact O-N 2.63Å; I115-S119 PolarHBondContact O-OG 2.85Å; I115-I149 HydrophobicContact CG2-CG2 4.22Å; I115-L153 HydrophobicContact CD1-CD1 4.25Å; I115-I160 HydrophobicContact CG2-CD1 3.97Å
116	Y	92	Very high	90.7	Very high	54 Å²	54	46 Å²	46	21%	0.212	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-53.1	173.6	174.9	-95.8	0	0	0	111.6	F29 R30 P33 R112 N113 Q114 D118 S119 C120	F29-Y116 HydrophobicContact CE1-CD2 4.42Å; R30-Y116 VanDerWaalsContact O-CE2 3.28Å; R30-Y116 WeakPolarHBondContact O-CE2 3.02Å; P33-Y116 HydrophobicContact CB-CD2 3.88Å; P33-Y116 HydrophobicContact CB-CG 4.09Å; P33-Y116 HydrophobicContact CG-CD2 3.94Å; P33-Y116 HydrophobicContact CG-CE2 4.26Å; P33-Y116 HydrophobicContact CG-CG 4.12Å; R112-Y116 WeakPolarHBondContact O-CB 3.4Å; R112-Y116 PolarHBondContact O-N 3.4Å; N113-Y116 WeakPolarHBondContact O-CB 3.1Å; N113-Y116 PolarHBondContact O-N 2.87Å; Q114-Y116 VanDerWaalsContact C-N 3.27Å; Q114-Y116 PolarHBondContact O-N 2.04Å; Y116-D118 VanDerWaalsContact C-N 3.31Å; Y116-D118 PolarHBondContact O-N 2.76Å; Y116-S119 WeakPolarHBondContact CA-OG 3.18Å; Y116-S119 PolarHBondContact O-N 2.88Å; Y116-S119 VanDerWaalsContact O-N 3.15Å; Y116-S119 PolarHBondContact O-OG 2.96Å; Y116-C120 VanDerWaalsContact O-CB 3.31Å; Y116-C120 WeakPolarHBondContact O-CB 3.45Å; Y116-C120 PolarHBondContact O-N 3.35Å; Y116-C120 PolarHBondContact O-SG 3.1Å
117	S	90.7	Very high	90.6	Very high	53 Å²	53	47.5 Å²	47.5	37%	0.371	24%	0.244	S	C	.	.	H	α-helix	trans	-55.8	-46.3	178.6	-175.3	0	0	0	0	111.7	N113 Q114 S119 C120 I121	N113-S117 WeakPolarHBondContact O-CB 3.48Å; N113-S117 PolarHBondContact O-N 2.82Å; Q114-S117 WeakPolarHBondContact O-CB 3.23Å; Q114-S117 PolarHBondContact O-N 3.49Å; Q114-S117 VanDerWaalsContact O-N 3.17Å; S117-S119 VanDerWaalsContact C-N 3.34Å; S117-S119 PolarHBondContact O-N 3.26Å; S117-C120 PolarHBondContact O-N 3.45Å; S117-I121 WeakPolarHBondContact O-CD1 3.05Å; S117-I121 VanDerWaalsContact O-CG1 3.28Å; S117-I121 WeakPolarHBondContact O-CG1 3.36Å
118	D	89.4	Confident	90.5	Very high	6 Å²	6	48 Å²	48	3%	0.032	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-30.9	-179.6	-72.1	-39.2	0	0	0	112.9	K92 Y93 Q114 I115 Y116 C120 I149	K92-D118 IonicContact NZ-OD1 3.45Å; K92-D118 PolarHBondContact NZ-OD1 3.15Å; K92-D118 IonicContact NZ-OD2 2.73Å; K92-D118 PolarHBondContact NZ-OD2 3.38Å; Y93-D118 PolarHBondContact OH-OD2 3.29Å; Q114-D118 PolarHBondContact NE2-OD1 3.17Å; Q114-D118 PolarHBondContact NE2-OD2 3.03Å; Q114-D118 PolarHBondContact O-N 2.87Å; I115-D118 PolarHBondContact O-N 3.19Å; Y116-D118 VanDerWaalsContact C-N 3.31Å; Y116-D118 PolarHBondContact O-N 2.76Å; D118-C120 VanDerWaalsContact C-N 3.29Å; D118-I149 HydrophobicContact CB-CD1 3.73Å
119	S	89.1	Confident	90.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-75.8	-16.7	174.6	76.5	0	0	0	0	113.7	I115 Y116 S117 T146	I115-S119 VanDerWaalsContact O-CB 3.25Å; I115-S119 WeakPolarHBondContact O-CB 3.33Å; I115-S119 PolarHBondContact O-N 2.63Å; I115-S119 PolarHBondContact O-OG 2.85Å; Y116-S119 WeakPolarHBondContact CA-OG 3.18Å; Y116-S119 PolarHBondContact O-N 2.88Å; Y116-S119 VanDerWaalsContact O-N 3.15Å; Y116-S119 PolarHBondContact O-OG 2.96Å; S117-S119 VanDerWaalsContact C-N 3.34Å; S117-S119 PolarHBondContact O-N 3.26Å; S119-T146 PolarHBondContact O-OG1 3.4Å
120	C	90.4	Very high	90	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.041	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	21	-175.5	-73.7	0	0	0	0	114.1	Y116 S117 D118 K127 W128 C131	Y116-C120 VanDerWaalsContact O-CB 3.31Å; Y116-C120 WeakPolarHBondContact O-CB 3.45Å; Y116-C120 PolarHBondContact O-N 3.35Å; Y116-C120 PolarHBondContact O-SG 3.1Å; S117-C120 PolarHBondContact O-N 3.45Å; D118-C120 VanDerWaalsContact C-N 3.29Å; C120-K127 WeakPolarHBondContact O-CA 3.4Å; C120-W128 PolarHBondContact O-N 2.98Å; C120-C131 WeakPolarHBondContact CA-SG 3.14Å; C120-C131 HydrophobicContact CB-CB 3.78Å; C120-C131 WeakPolarHBondContact CB-SG 3.45Å; C120-C131 WeakPolarHBondContact SG-CB 3.29Å; C120-C131 CovalentContact SG-SG 2.03Å; C120-C131 PolarHBondContact SG-SG 3.13Å
121	I	89.4	Confident	89.7	Confident	31 Å²	31	49.1 Å²	49.1	16%	0.159	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-112.1	131.2	173.9	-69.5	163.4	0	0	0	109	S117 L125 N126 P143	S117-I121 WeakPolarHBondContact O-CD1 3.05Å; S117-I121 VanDerWaalsContact O-CG1 3.28Å; S117-I121 WeakPolarHBondContact O-CG1 3.36Å; I121-L125 HydrophobicContact CG2-CD2 4.24Å; I121-N126 CarbonylContact C-O 3.54Å; I121-N126 WeakPolarHBondContact CA-O 3.44Å; I121-P143 WeakPolarHBondContact O-CB 3.16Å
122	D	88.4	Confident	89.4	Confident	39 Å²	39	54.7 Å²	54.7	21%	0.209	27%	0.274	C	S	.	.			trans	-78.4	174.2	174.6	74.2	12.8	0	0	0	112.5	N124 L125 N126 W128 P143	D122-N124 PolarHBondContact O-N 2.85Å; D122-N124 VanDerWaalsContact O-N 3.08Å; D122-N124 VanDerWaalsContact OD1-C 3.26Å; D122-N124 VanDerWaalsContact OD1-CA 3.3Å; D122-N124 WeakPolarHBondContact OD1-CA 3.29Å; D122-N124 WeakPolarHBondContact OD1-CB 3.04Å; D122-N124 PolarHBondContact OD1-N 3.18Å; D122-L125 PolarHBondContact O-N 3.35Å; D122-L125 VanDerWaalsContact O-N 3.08Å; D122-L125 PolarHBondContact OD1-N 3.02Å; D122-L125 VanDerWaalsContact OD1-N 3.12Å; D122-N126 PolarHBondContact N-O 3.02Å; D122-N126 PolarHBondContact OD1-N 2.79Å; D122-W128 HydrophobicContact CB-CB 4.29Å; D122-P143 HydrophobicContact CB-CG 4.47Å
123	D	87.6	Confident	89.1	Confident	84 Å²	84	58.6 Å²	58.6	45%	0.449	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.5	179.9	-65.4	-43.2	0	0	0	113.2	T144	D123-T144 VanDerWaalsContact OD1-CB 3.24Å; D123-T144 WeakPolarHBondContact OD1-CB 3.28Å; D123-T144 PolarHBondContact OD1-N 2.95Å; D123-T144 PolarHBondContact OD1-OG1 2.75Å
124	N	89.2	Confident	88.5	Confident	127 Å²	127	57.3 Å²	57.3	68%	0.679	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	12.8	179	-62.9	-32.5	0	0	0	112.8	D122 N126	D122-N124 PolarHBondContact O-N 2.85Å; D122-N124 VanDerWaalsContact O-N 3.08Å; D122-N124 VanDerWaalsContact OD1-C 3.26Å; D122-N124 VanDerWaalsContact OD1-CA 3.3Å; D122-N124 WeakPolarHBondContact OD1-CA 3.29Å; D122-N124 WeakPolarHBondContact OD1-CB 3.04Å; D122-N124 PolarHBondContact OD1-N 3.18Å; N124-N126 PolarHBondContact O-N 2.87Å; N124-N126 PolarHBondContact O-ND2 2.53Å
125	L	87.4	Confident	88.1	Confident	120 Å²	120	62.1 Å²	62.1	63%	0.628	32%	0.316	S	S	*	.	S	Bend	trans	66	17.1	-178.2	-53.3	175.7	0	0	0	115.2	I121 D122	I121-L125 HydrophobicContact CG2-CD2 4.24Å; D122-L125 PolarHBondContact O-N 3.35Å; D122-L125 VanDerWaalsContact O-N 3.08Å; D122-L125 PolarHBondContact OD1-N 3.02Å; D122-L125 VanDerWaalsContact OD1-N 3.12Å
126	N	90	Very high	87.8	Confident	95 Å²	95	64.1 Å²	64.1	51%	0.508	33%	0.326	S	S	.	.	S	Bend	trans	-95.1	160.5	174	-59.2	-68.9	0	0	0	111	I121 D122 N124 W128	I121-N126 CarbonylContact C-O 3.54Å; I121-N126 WeakPolarHBondContact CA-O 3.44Å; D122-N126 PolarHBondContact N-O 3.02Å; D122-N126 PolarHBondContact OD1-N 2.79Å; N124-N126 PolarHBondContact O-N 2.87Å; N124-N126 PolarHBondContact O-ND2 2.53Å; N126-W128 PolarHBondContact O-N 3.1Å; N126-W128 VanDerWaalsContact O-N 3.16Å
127	K	88.8	Confident	87.4	Confident	121 Å²	121	66.2 Å²	66.2	53%	0.526	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-60.7	120.2	173.3	-169.5	176.9	-178.9	-169.2	0	109.7	C120 K129 E132	C120-K127 WeakPolarHBondContact O-CA 3.4Å; K127-K129 PolarHBondContact O-N 2.03Å; K127-E132 HydrophobicContact CD-CG 4.41Å; K127-E132 WeakPolarHBondContact CD-OE1 3.22Å; K127-E132 WeakPolarHBondContact CE-OE1 3.49Å; K127-E132 IonicContact NZ-OE1 3.07Å; K127-E132 PolarHBondContact NZ-OE1 3.35Å
128	W	89.9	Confident	87.1	Confident	9 Å²	9	65.2 Å²	65.2	3%	0.034	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.4	119.9	-177.8	-175.1	37.4	0	0	0	110.1	C120 D122 N126 C130 C131 S138 L142 P143 T146	C120-W128 PolarHBondContact O-N 2.98Å; D122-W128 HydrophobicContact CB-CB 4.29Å; N126-W128 PolarHBondContact O-N 3.1Å; N126-W128 VanDerWaalsContact O-N 3.16Å; W128-C130 HydrophobicContact CD2-CB 3.56Å; W128-C130 VanDerWaalsContact CE2-CB 3.43Å; W128-C130 HydrophobicContact CE3-CB 3.87Å; W128-C130 HydrophobicContact CG-CB 4.16Å; W128-C130 HydrophobicContact CH2-CB 3.93Å; W128-C130 HydrophobicContact CZ2-CB 3.63Å; W128-C130 HydrophobicContact CZ3-CB 4.05Å; W128-C130 PolarHBondContact O-N 3.47Å; W128-C131 WeakPolarHBondContact O-CB 3.44Å; W128-C131 PolarHBondContact O-N 2.91Å; W128-S138 WeakPolarHBondContact CZ2-O 3.44Å; W128-S138 PolarHBondContact NE1-O 3.17Å; W128-S138 PolarHBondContact NE1-OG 2.95Å; W128-L142 HydrophobicContact CH2-CG 4.44Å; W128-P143 HydrophobicContact CD2-CG 3.66Å; W128-P143 VanDerWaalsContact CE2-CD 3.49Å; W128-P143 HydrophobicContact CE3-CG 3.98Å; W128-P143 HydrophobicContact CG-CG 3.96Å; W128-P143 HydrophobicContact CH2-CG 4.49Å; W128-P143 VanDerWaalsContact CZ2-CD 3.4Å; W128-P143 HydrophobicContact CZ2-CG 4.21Å; W128-P143 HydrophobicContact CZ3-CG 4.37Å; W128-T146 HydrophobicContact CZ3-CG2 3.93Å
129	K	88.1	Confident	86.9	Confident	117 Å²	117	65.9 Å²	65.9	51%	0.509	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-55.4	-24.6	-176.6	-65.9	-176.2	178.1	-176.6	0	114	K127 C131 E132 Q133 H136	K127-K129 PolarHBondContact O-N 2.03Å; K129-C131 PolarHBondContact O-N 2.79Å; K129-E132 PolarHBondContact O-N 3.48Å; K129-E132 VanDerWaalsContact O-N 3.1Å; K129-Q133 PolarHBondContact O-N 3.42Å; K129-H136 VanDerWaalsContact CD-NE2 3.29Å; K129-H136 WeakPolarHBondContact CD-NE2 3.29Å
130	C	86.1	Confident	86.6	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.02	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-60.5	-30	176.2	-166.1	0	0	0	0	113.2	W128 E132 Q133 C139	W128-C130 HydrophobicContact CD2-CB 3.56Å; W128-C130 VanDerWaalsContact CE2-CB 3.43Å; W128-C130 HydrophobicContact CE3-CB 3.87Å; W128-C130 HydrophobicContact CG-CB 4.16Å; W128-C130 HydrophobicContact CH2-CB 3.93Å; W128-C130 HydrophobicContact CZ2-CB 3.63Å; W128-C130 HydrophobicContact CZ3-CB 4.05Å; W128-C130 PolarHBondContact O-N 3.47Å; C130-E132 VanDerWaalsContact C-N 3.28Å; C130-E132 PolarHBondContact O-N 2.77Å; C130-Q133 CarbonylContact O-C 3.59Å; C130-C139 WeakPolarHBondContact CA-SG 3.4Å; C130-C139 HydrophobicContact CB-CB 4.03Å; C130-C139 WeakPolarHBondContact CB-SG 3.21Å; C130-C139 WeakPolarHBondContact SG-CA 3.13Å; C130-C139 WeakPolarHBondContact SG-CB 3.19Å; C130-C139 CovalentContact SG-SG 2.04Å; C130-C139 PolarHBondContact SG-SG 3.11Å
131	C	87.1	Confident	86.3	Confident	10 Å²	10	81.7 Å²	81.7	7%	0.068	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-75.8	-15.6	178.1	-65	0	0	0	0	113.9	R30 C120 W128 K129	R30-C131 VanDerWaalsContact CD-SG 3.56Å; C120-C131 WeakPolarHBondContact CA-SG 3.14Å; C120-C131 HydrophobicContact CB-CB 3.78Å; C120-C131 WeakPolarHBondContact CB-SG 3.45Å; C120-C131 WeakPolarHBondContact SG-CB 3.29Å; C120-C131 CovalentContact SG-SG 2.03Å; C120-C131 PolarHBondContact SG-SG 3.13Å; W128-C131 WeakPolarHBondContact O-CB 3.44Å; W128-C131 PolarHBondContact O-N 2.91Å; K129-C131 PolarHBondContact O-N 2.79Å
132	E	86.3	Confident	86.1	Confident	117 Å²	117	82.2 Å²	82.2	55%	0.547	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-36.5	173.6	-61.3	-175.4	154.9	0	0	111.4	K127 K129 C130	K127-E132 HydrophobicContact CD-CG 4.41Å; K127-E132 WeakPolarHBondContact CD-OE1 3.22Å; K127-E132 WeakPolarHBondContact CE-OE1 3.49Å; K127-E132 IonicContact NZ-OE1 3.07Å; K127-E132 PolarHBondContact NZ-OE1 3.35Å; K129-E132 PolarHBondContact O-N 3.48Å; K129-E132 VanDerWaalsContact O-N 3.1Å; C130-E132 VanDerWaalsContact C-N 3.28Å; C130-E132 PolarHBondContact O-N 2.77Å
133	Q	86	Confident	86.2	Confident	108 Å²	108	80.6 Å²	80.6	51%	0.505	41%	0.406	S	S	.	.			trans	-130.2	97.2	-173.6	-65.7	-179.5	0.2	0	0	109.9	K129 C130 N135 H136	K129-Q133 PolarHBondContact O-N 3.42Å; C130-Q133 CarbonylContact O-C 3.59Å; Q133-N135 PolarHBondContact O-N 3.09Å; Q133-H136 HydrophobicContact CB-CB 3.9Å; Q133-H136 WeakPolarHBondContact O-CB 3.49Å; Q133-H136 PolarHBondContact O-N 3.24Å
134	P	79.5	Confident	86.2	Confident	48 Å²	48	80.5 Å²	80.5	31%	0.312	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.1	-175.5	26.3	-35.4	0	0	0	114.1	I27 Q31 H136 C139	I27-P134 HydrophobicContact CG2-CB 4.27Å; Q31-P134 HydrophobicContact CG-CB 4.45Å; Q31-P134 VanDerWaalsContact NE2-CB 3.25Å; P134-H136 VanDerWaalsContact C-N 3.35Å; P134-C139 PolarHBondContact O-SG 2.03Å
135	N	82.8	Confident	85.9	Confident	156 Å²	156	79.9 Å²	79.9	83%	0.834	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	4	175.7	-62.9	-16.8	0	0	0	112.6	Q133	Q133-N135 PolarHBondContact O-N 3.09Å
136	H	84.7	Confident	85.9	Confident	43 Å²	43	74.2 Å²	74.2	20%	0.199	37%	0.367	C	S	.	.	S	Bend	trans	-68.2	137.7	-178.1	-170.7	-89.8	0	0	0	110.4	K129 Q133 P134 S138 C139	K129-H136 VanDerWaalsContact CD-NE2 3.29Å; K129-H136 WeakPolarHBondContact CD-NE2 3.29Å; Q133-H136 HydrophobicContact CB-CB 3.9Å; Q133-H136 WeakPolarHBondContact O-CB 3.49Å; Q133-H136 PolarHBondContact O-N 3.24Å; P134-H136 VanDerWaalsContact C-N 3.35Å; H136-S138 VanDerWaalsContact ND1-CB 3.29Å; H136-S138 WeakPolarHBondContact ND1-CB 3.28Å; H136-S138 PolarHBondContact ND1-N 2.78Å; H136-S138 VanDerWaalsContact ND1-N 3.15Å; H136-S138 PolarHBondContact ND1-OG 2.82Å; H136-S138 PolarHBondContact O-N 3.36Å; H136-C139 VanDerWaalsContact O-CB 3.3Å; H136-C139 WeakPolarHBondContact O-CB 3.05Å; H136-C139 PolarHBondContact O-N 3.22Å; H136-C139 PolarHBondContact O-SG 2.88Å
137	P	85.2	Confident	85.7	Confident	98 Å²	98	74.8 Å²	74.8	64%	0.636	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-55.6	-24.5	-178.4	-27.6	34.4	0	0	0	114.7	C139 F140	P137-C139 PolarHBondContact O-N 2.72Å; P137-F140 PolarHBondContact O-N 3.16Å
138	S	84.3	Confident	85.5	Confident	31 Å²	31	72 Å²	72	22%	0.217	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-66.6	-18.7	175.7	70.5	0	0	0	0	113.8	W128 H136 F140 K141	W128-S138 WeakPolarHBondContact CZ2-O 3.44Å; W128-S138 PolarHBondContact NE1-O 3.17Å; W128-S138 PolarHBondContact NE1-OG 2.95Å; H136-S138 VanDerWaalsContact ND1-CB 3.29Å; H136-S138 WeakPolarHBondContact ND1-CB 3.28Å; H136-S138 PolarHBondContact ND1-N 2.78Å; H136-S138 VanDerWaalsContact ND1-N 3.15Å; H136-S138 PolarHBondContact ND1-OG 2.82Å; H136-S138 PolarHBondContact O-N 3.36Å; S138-F140 PolarHBondContact O-N 2.76Å; S138-K141 CarbonylContact O-C 3.58Å; S138-K141 PolarHBondContact O-N 3.08Å; S138-K141 VanDerWaalsContact O-N 3.14Å; S138-K141 VanDerWaalsContact O-O 3.06Å
139	C	83.7	Confident	85.3	Confident	20 Å²	20	71.7 Å²	71.7	14%	0.135	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.4	178.4	-71.7	0	0	0	0	113	C130 P134 H136 P137 K141	C130-C139 WeakPolarHBondContact CA-SG 3.4Å; C130-C139 HydrophobicContact CB-CB 4.03Å; C130-C139 WeakPolarHBondContact CB-SG 3.21Å; C130-C139 WeakPolarHBondContact SG-CA 3.13Å; C130-C139 WeakPolarHBondContact SG-CB 3.19Å; C130-C139 CovalentContact SG-SG 2.04Å; C130-C139 PolarHBondContact SG-SG 3.11Å; P134-C139 PolarHBondContact O-SG 2.03Å; H136-C139 VanDerWaalsContact O-CB 3.3Å; H136-C139 WeakPolarHBondContact O-CB 3.05Å; H136-C139 PolarHBondContact O-N 3.22Å; H136-C139 PolarHBondContact O-SG 2.88Å; P137-C139 PolarHBondContact O-N 2.72Å; C139-K141 VanDerWaalsContact C-N 3.28Å; C139-K141 PolarHBondContact O-N 2.96Å
140	F	83.3	Confident	85.2	Confident	187 Å²	187	67.4 Å²	67.4	82%	0.82	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-71.7	-22	177.2	-65.1	-75	0	0	0	113.2	P137 S138	P137-F140 PolarHBondContact O-N 3.16Å; S138-F140 PolarHBondContact O-N 2.76Å
141	K	85.5	Confident	85	Confident	151 Å²	151	71.2 Å²	71.2	66%	0.657	37%	0.366	S	S	*	.	S	Bend	trans	-111.8	96.8	178.9	-172.5	-177.9	178	-174.1	0	109.6	S138 C139	S138-K141 CarbonylContact O-C 3.58Å; S138-K141 PolarHBondContact O-N 3.08Å; S138-K141 VanDerWaalsContact O-N 3.14Å; S138-K141 VanDerWaalsContact O-O 3.06Å; C139-K141 VanDerWaalsContact C-N 3.28Å; C139-K141 PolarHBondContact O-N 2.96Å
142	L	85.1	Confident	84.6	Confident	43 Å²	43	74 Å²	74	23%	0.225	38%	0.379	C	S	.	.			trans	-64.1	131.2	177.5	-72.6	75.8	0	0	0	110.9	W128 T146 K147 E150	W128-L142 HydrophobicContact CH2-CG 4.44Å; L142-T146 HydrophobicContact CD2-CG2 4.4Å; L142-K147 HydrophobicContact CB-CD 4.32Å; L142-K147 HydrophobicContact CB-CG 3.56Å; L142-K147 HydrophobicContact CD2-CG 4.21Å; L142-K147 WeakPolarHBondContact O-CE 3.38Å; L142-K147 PolarHBondContact O-NZ 3.19Å; L142-E150 HydrophobicContact CD2-CG 4.33Å; L142-E150 WeakPolarHBondContact CD2-OE1 3.21Å; L142-E150 WeakPolarHBondContact CD2-OE2 2.94Å
143	P	89.5	Confident	84.5	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.026	35%	0.353	C	S	.	.			trans	-57.1	156.4	166.8	-23.6	32.9	0	0	0	111.8	I121 D122 W128 R145 T146 K147	I121-P143 WeakPolarHBondContact O-CB 3.16Å; D122-P143 HydrophobicContact CB-CG 4.47Å; W128-P143 HydrophobicContact CD2-CG 3.66Å; W128-P143 VanDerWaalsContact CE2-CD 3.49Å; W128-P143 HydrophobicContact CE3-CG 3.98Å; W128-P143 HydrophobicContact CG-CG 3.96Å; W128-P143 HydrophobicContact CH2-CG 4.49Å; W128-P143 VanDerWaalsContact CZ2-CD 3.4Å; W128-P143 HydrophobicContact CZ2-CG 4.21Å; W128-P143 HydrophobicContact CZ3-CG 4.37Å; P143-R145 PolarHBondContact O-N 2.79Å; P143-T146 PolarHBondContact O-N 2.92Å; P143-K147 WeakPolarHBondContact O-CG 3.34Å; P143-K147 PolarHBondContact O-N 3.2Å
144	T	87.1	Confident	84.1	Confident	83 Å²	83	66.5 Å²	66.5	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-44.7	-176.9	-51.2	0	0	0	0	111.7	D123 T146 K147 V148	D123-T144 VanDerWaalsContact OD1-CB 3.24Å; D123-T144 WeakPolarHBondContact OD1-CB 3.28Å; D123-T144 PolarHBondContact OD1-N 2.95Å; D123-T144 PolarHBondContact OD1-OG1 2.75Å; T144-T146 PolarHBondContact O-N 3.31Å; T144-K147 PolarHBondContact O-N 3.05Å; T144-V148 WeakPolarHBondContact O-CG2 3.36Å; T144-V148 PolarHBondContact O-N 3.13Å
145	R	84.5	Confident	84.2	Confident	114 Å²	114	65.7 Å²	65.7	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-45.4	176.3	-70.8	-174.2	179.9	-179	2.4	111.8	P143 K147 V148 I149	P143-R145 PolarHBondContact O-N 2.79Å; R145-K147 PolarHBondContact O-N 3.07Å; R145-V148 PolarHBondContact O-N 2.85Å; R145-I149 WeakPolarHBondContact O-CG1 3.03Å; R145-I149 PolarHBondContact O-N 3.31Å
146	T	86.8	Confident	84.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-43.6	177.5	-46.2	0	0	0	0	111.3	S119 W128 L142 P143 T144 V148 I149 E150	S119-T146 PolarHBondContact O-OG1 3.4Å; W128-T146 HydrophobicContact CZ3-CG2 3.93Å; L142-T146 HydrophobicContact CD2-CG2 4.4Å; P143-T146 PolarHBondContact O-N 2.92Å; T144-T146 PolarHBondContact O-N 3.31Å; T146-V148 VanDerWaalsContact C-N 3.32Å; T146-V148 PolarHBondContact O-N 3.04Å; T146-I149 PolarHBondContact O-N 2.96Å; T146-E150 HydrophobicContact CG2-CG 4.21Å; T146-E150 WeakPolarHBondContact CG2-OE1 3.44Å; T146-E150 WeakPolarHBondContact O-CB 3.39Å; T146-E150 WeakPolarHBondContact O-CG 3.38Å; T146-E150 PolarHBondContact O-N 3.48Å
147	K	85.5	Confident	84.1	Confident	107 Å²	107	58.1 Å²	58.1	47%	0.465	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-42.5	174.9	-73.4	173.2	175.8	161.5	0	112.6	L142 P143 T144 R145 S151	L142-K147 HydrophobicContact CB-CD 4.32Å; L142-K147 HydrophobicContact CB-CG 3.56Å; L142-K147 HydrophobicContact CD2-CG 4.21Å; L142-K147 WeakPolarHBondContact O-CE 3.38Å; L142-K147 PolarHBondContact O-NZ 3.19Å; P143-K147 WeakPolarHBondContact O-CG 3.34Å; P143-K147 PolarHBondContact O-N 3.2Å; T144-K147 PolarHBondContact O-N 3.05Å; R145-K147 PolarHBondContact O-N 3.07Å; K147-S151 VanDerWaalsContact O-CB 3.27Å; K147-S151 WeakPolarHBondContact O-CB 3.48Å; K147-S151 PolarHBondContact O-N 2.84Å; K147-S151 PolarHBondContact O-OG 3.45Å
148	V	84.7	Confident	83.8	Confident	62 Å²	62	54.1 Å²	54.1	38%	0.376	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-46.9	177.8	174.6	0	0	0	0	110.3	F89 T144 R145 T146 S151 M152	F89-V148 HydrophobicContact CD2-CG1 3.78Å; F89-V148 HydrophobicContact CE2-CG1 3.93Å; T144-V148 WeakPolarHBondContact O-CG2 3.36Å; T144-V148 PolarHBondContact O-N 3.13Å; R145-V148 PolarHBondContact O-N 2.85Å; T146-V148 VanDerWaalsContact C-N 3.32Å; T146-V148 PolarHBondContact O-N 3.04Å; V148-S151 WeakPolarHBondContact CA-OG 3.09Å; V148-S151 PolarHBondContact O-N 2.92Å; V148-S151 PolarHBondContact O-OG 3.26Å; V148-M152 WeakPolarHBondContact O-CG 3.48Å; V148-M152 PolarHBondContact O-N 3.1Å; V148-M152 VanDerWaalsContact O-N 3.1Å
149	I	85.8	Confident	83.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-50.4	177.5	-62.5	166.7	0	0	0	110.6	W26 F89 I115 D118 R145 T146 S151 M152 L153	W26-I149 HydrophobicContact CH2-CG2 3.35Å; W26-I149 HydrophobicContact CZ2-CG2 3.95Å; W26-I149 HydrophobicContact CZ3-CG2 4.06Å; F89-I149 HydrophobicContact CE2-CG1 3.81Å; F89-I149 HydrophobicContact CZ-CB 4.39Å; F89-I149 HydrophobicContact CZ-CG1 3.83Å; I115-I149 HydrophobicContact CG2-CG2 4.22Å; D118-I149 HydrophobicContact CB-CD1 3.73Å; R145-I149 WeakPolarHBondContact O-CG1 3.03Å; R145-I149 PolarHBondContact O-N 3.31Å; T146-I149 PolarHBondContact O-N 2.96Å; I149-S151 PolarHBondContact O-N 3.12Å; I149-M152 PolarHBondContact O-N 2.85Å; I149-M152 VanDerWaalsContact O-N 3.07Å; I149-L153 HydrophobicContact CG2-CD1 4.05Å; I149-L153 WeakPolarHBondContact O-CB 3.3Å; I149-L153 PolarHBondContact O-N 2.92Å
150	E	85.2	Confident	83.9	Confident	27 Å²	27	53.7 Å²	53.7	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-28	179.8	-66	-164.9	-163.2	0	0	112.5	W26 R30 L142 T146 L153	W26-E150 HydrophobicContact CD2-CG 3.64Å; W26-E150 HydrophobicContact CE3-CG 4.24Å; W26-E150 HydrophobicContact CG-CG 3.75Å; W26-E150 HydrophobicContact CZ2-CG 4.26Å; R30-E150 IonicContact CZ-OE1 3.28Å; R30-E150 IonicContact NH1-OE1 2.69Å; R30-E150 PolarHBondContact NH1-OE1 3.01Å; R30-E150 IonicContact NH2-OE1 2.68Å; R30-E150 PolarHBondContact NH2-OE1 2.65Å; L142-E150 HydrophobicContact CD2-CG 4.33Å; L142-E150 WeakPolarHBondContact CD2-OE1 3.21Å; L142-E150 WeakPolarHBondContact CD2-OE2 2.94Å; T146-E150 HydrophobicContact CG2-CG 4.21Å; T146-E150 WeakPolarHBondContact CG2-OE1 3.44Å; T146-E150 WeakPolarHBondContact O-CB 3.39Å; T146-E150 WeakPolarHBondContact O-CG 3.38Å; T146-E150 PolarHBondContact O-N 3.48Å; E150-L153 CarbonylContact O-C 3.45Å
151	S	81.5	Confident	84.1	Confident	84 Å²	84	44.9 Å²	44.9	59%	0.587	23%	0.233	S	C	*	.	H	α-helix	trans	-72.9	-29.4	173.8	72.1	0	0	0	0	113.3	K147 V148 I149	K147-S151 VanDerWaalsContact O-CB 3.27Å; K147-S151 WeakPolarHBondContact O-CB 3.48Å; K147-S151 PolarHBondContact O-N 2.84Å; K147-S151 PolarHBondContact O-OG 3.45Å; V148-S151 WeakPolarHBondContact CA-OG 3.09Å; V148-S151 PolarHBondContact O-N 2.92Å; V148-S151 PolarHBondContact O-OG 3.26Å; I149-S151 PolarHBondContact O-N 3.12Å
152	M	79.3	Confident	83.9	Confident	67 Å²	67	38.2 Å²	38.2	33%	0.33	21%	0.206	S	C	.	.	H	α-helix	trans	-87.9	-29.1	177.8	-68.7	-68	-179.3	0	0	112.4	F89 W90 V148 I149	F89-M152 HydrophobicContact CD1-CG 4.24Å; F89-M152 HydrophobicContact CE1-CB 4.22Å; F89-M152 HydrophobicContact CE1-CG 4.29Å; F89-M152 HydrophobicContact CG-CG 4.48Å; W90-M152 HydrophobicContact CZ2-CB 4.46Å; V148-M152 WeakPolarHBondContact O-CG 3.48Å; V148-M152 PolarHBondContact O-N 3.1Å; V148-M152 VanDerWaalsContact O-N 3.1Å; I149-M152 PolarHBondContact O-N 2.85Å; I149-M152 VanDerWaalsContact O-N 3.07Å
153	L	83.6	Confident	83.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.			trans	-127.5	90.1	-174.9	-65.9	175.4	0	0	0	108.5	W26 W90 I115 I149 E150 D159 I160 V163	W26-L153 HydrophobicContact CH2-CB 4.43Å; W26-L153 HydrophobicContact CH2-CD1 4.42Å; W26-L153 HydrophobicContact CZ2-CB 3.75Å; W26-L153 VanDerWaalsContact CZ2-O 3.28Å; W26-L153 WeakPolarHBondContact CZ2-O 3.43Å; W26-L153 PolarHBondContact NE1-O 2.99Å; W90-L153 HydrophobicContact CH2-CD1 4.11Å; W90-L153 HydrophobicContact CH2-CD2 3.78Å; W90-L153 HydrophobicContact CH2-CG 4Å; W90-L153 HydrophobicContact CZ2-CD2 4.27Å; I115-L153 HydrophobicContact CD1-CD1 4.25Å; I149-L153 HydrophobicContact CG2-CD1 4.05Å; I149-L153 WeakPolarHBondContact O-CB 3.3Å; I149-L153 PolarHBondContact O-N 2.92Å; E150-L153 CarbonylContact O-C 3.45Å; L153-D159 HydrophobicContact CB-CB 4.2Å; L153-D159 HydrophobicContact CD2-CB 3.39Å; L153-D159 HydrophobicContact CG-CB 4.41Å; L153-I160 HydrophobicContact CD1-CG1 3.9Å; L153-V163 HydrophobicContact CD2-CG2 3.92Å
154	S	79.5	Confident	83.9	Confident	68 Å²	68	36.4 Å²	36.4	48%	0.476	20%	0.196	S	C	.	.	S	Bend	trans	-70.8	-41.9	-176.3	-66.7	0	0	0	0	112.1	V22 D159	V22-S154 WeakPolarHBondContact CG1-O 3.45Å; S154-D159 WeakPolarHBondContact CA-OD2 3.43Å; S154-D159 PolarHBondContact N-OD2 2.69Å
155	D	81.5	Confident	83.9	Confident	31 Å²	31	32.4 Å²	32.4	17%	0.166	17%	0.172	C	C	.	.			trans	-113.5	110	171.5	-175.2	-16.3	0	0	0	109.7	L25 Q157 V158 D159	L25-D155 HydrophobicContact CD1-CB 4.45Å; D155-Q157 PolarHBondContact O-N 3.38Å; D155-Q157 VanDerWaalsContact O-N 3.16Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.22Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.42Å; D155-Q157 PolarHBondContact OD1-N 3.28Å; D155-V158 HydrophobicContact CB-CB 4.29Å; D155-V158 PolarHBondContact O-N 3.09Å; D155-D159 PolarHBondContact N-OD2 2.83Å; D155-D159 WeakPolarHBondContact O-CA 3.36Å; D155-D159 WeakPolarHBondContact O-CB 3.4Å; D155-D159 PolarHBondContact O-N 3.41Å
156	P	83.4	Confident	84	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.3	178.4	25.9	-33.4	0	0	0	113.1	L25 W26 F29 V36 I160	L25-P156 HydrophobicContact CB-CG 3.81Å; W26-P156 HydrophobicContact CD2-CB 4.24Å; W26-P156 HydrophobicContact CD2-CG 4.18Å; W26-P156 HydrophobicContact CE3-CB 4.5Å; W26-P156 HydrophobicContact CG-CG 4.25Å; W26-P156 HydrophobicContact CH2-CB 4.28Å; W26-P156 HydrophobicContact CZ2-CB 4.03Å; F29-P156 HydrophobicContact CB-CB 4.16Å; F29-P156 HydrophobicContact CB-CG 4.24Å; F29-P156 HydrophobicContact CG-CB 4.25Å; V36-P156 WeakPolarHBondContact CG1-O 3.4Å; V36-P156 HydrophobicContact CG2-CB 4.49Å; V36-P156 WeakPolarHBondContact CG2-O 3.26Å; P156-I160 HydrophobicContact CB-CD1 3.81Å; P156-I160 HydrophobicContact CB-CG1 4.45Å; P156-I160 VanDerWaalsContact O-CB 3.25Å; P156-I160 WeakPolarHBondContact O-CB 3.39Å; P156-I160 WeakPolarHBondContact O-CD1 3.02Å; P156-I160 VanDerWaalsContact O-CG1 3.28Å; P156-I160 WeakPolarHBondContact O-CG1 3.08Å
157	Q	81.4	Confident	84	Confident	41 Å²	41	28.5 Å²	28.5	19%	0.192	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-48.5	177.5	-173.3	64.8	28.4	0	0	112	F35 D155 S161	F35-Q157 HydrophobicContact CE1-CB 4.4Å; F35-Q157 PolarHBondContact O-OE1 3.06Å; F35-Q157 VanDerWaalsContact O-OE1 3.09Å; D155-Q157 PolarHBondContact O-N 3.38Å; D155-Q157 VanDerWaalsContact O-N 3.16Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.22Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.42Å; D155-Q157 PolarHBondContact OD1-N 3.28Å; Q157-S161 PolarHBondContact O-OG 3.07Å
158	V	79.5	Confident	84.3	Confident	13 Å²	13	23.4 Å²	23.4	8%	0.079	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-46.7	-175	178.9	0	0	0	0	110.7	N52 T55 D155 S162	N52-V158 HydrophobicContact CB-CG2 3.98Å; N52-V158 WeakPolarHBondContact OD1-CG2 3.46Å; T55-V158 HydrophobicContact CG2-CG1 4.43Å; D155-V158 HydrophobicContact CB-CB 4.29Å; D155-V158 PolarHBondContact O-N 3.09Å; V158-S162 WeakPolarHBondContact O-CB 3.16Å; V158-S162 PolarHBondContact O-N 3.01Å; V158-S162 PolarHBondContact O-OG 2.89Å
159	D	82.8	Confident	84.6	Confident	43 Å²	43	20.4 Å²	20.4	23%	0.23	12%	0.118	C	C	.	.	H	α-helix	trans	-76.9	-40.5	-167.6	-58.8	-21.2	0	0	0	111.8	L153 S154 D155 S161 S162 V163	L153-D159 HydrophobicContact CB-CB 4.2Å; L153-D159 HydrophobicContact CD2-CB 3.39Å; L153-D159 HydrophobicContact CG-CB 4.41Å; S154-D159 WeakPolarHBondContact CA-OD2 3.43Å; S154-D159 PolarHBondContact N-OD2 2.69Å; D155-D159 PolarHBondContact N-OD2 2.83Å; D155-D159 WeakPolarHBondContact O-CA 3.36Å; D155-D159 WeakPolarHBondContact O-CB 3.4Å; D155-D159 PolarHBondContact O-N 3.41Å; D159-S161 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.43Å; D159-S162 PolarHBondContact O-N 2.92Å; D159-V163 WeakPolarHBondContact O-CB 3.34Å; D159-V163 VanDerWaalsContact O-CG2 3.26Å; D159-V163 WeakPolarHBondContact O-CG2 3.29Å; D159-V163 PolarHBondContact O-N 2.7Å
160	I	87	Confident	84.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-46.4	175.6	-66.2	175.9	0	0	0	110	W26 F29 V36 F108 F111 I115 L153 P156 F164	W26-I160 HydrophobicContact CH2-CD1 4.49Å; F29-I160 HydrophobicContact CD2-CD1 4.23Å; F29-I160 HydrophobicContact CE1-CD1 4.31Å; F29-I160 HydrophobicContact CE2-CD1 3.78Å; F29-I160 HydrophobicContact CZ-CD1 3.82Å; V36-I160 HydrophobicContact CG1-CB 4.11Å; V36-I160 HydrophobicContact CG1-CG2 4.15Å; V36-I160 HydrophobicContact CG2-CD1 4.42Å; F108-I160 HydrophobicContact CE2-CG2 4.4Å; F111-I160 HydrophobicContact CD1-CG2 4.13Å; F111-I160 HydrophobicContact CE1-CG2 3.8Å; I115-I160 HydrophobicContact CG2-CD1 3.97Å; L153-I160 HydrophobicContact CD1-CG1 3.9Å; P156-I160 HydrophobicContact CB-CD1 3.81Å; P156-I160 HydrophobicContact CB-CG1 4.45Å; P156-I160 VanDerWaalsContact O-CB 3.25Å; P156-I160 WeakPolarHBondContact O-CB 3.39Å; P156-I160 WeakPolarHBondContact O-CD1 3.02Å; P156-I160 VanDerWaalsContact O-CG1 3.28Å; P156-I160 WeakPolarHBondContact O-CG1 3.08Å; I160-F164 WeakPolarHBondContact O-CB 3.27Å; I160-F164 PolarHBondContact O-N 2.89Å
161	S	86.2	Confident	84.9	Confident	1 Å²	1	22 Å²	22	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-42.4	-179.9	-51.5	0	0	0	0	111.3	K37 F39 Q157 D159 A165	K37-S161 PolarHBondContact O-OG 3.49Å; F39-S161 WeakPolarHBondContact CE2-O 3.06Å; Q157-S161 PolarHBondContact O-OG 3.07Å; D159-S161 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.43Å; S161-A165 WeakPolarHBondContact O-CB 3.42Å; S161-A165 PolarHBondContact O-N 3.27Å
162	S	82.3	Confident	85.4	Confident	11 Å²	11	18 Å²	18	8%	0.077	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-51.8	177	-63.4	0	0	0	0	112.6	F39 F73 V158 D159 A165 Y166	F39-S162 VanDerWaalsContact CE2-CA 3.44Å; F39-S162 VanDerWaalsContact CE2-N 3.3Å; F39-S162 VanDerWaalsContact CZ-N 3.25Å; F39-S162 WeakPolarHBondContact CZ-OG 3.28Å; F73-S162 WeakPolarHBondContact CE1-O 3.45Å; F73-S162 WeakPolarHBondContact CZ-O 3.44Å; V158-S162 WeakPolarHBondContact O-CB 3.16Å; V158-S162 PolarHBondContact O-N 3.01Å; V158-S162 PolarHBondContact O-OG 2.89Å; D159-S162 PolarHBondContact O-N 2.92Å; S162-A165 PolarHBondContact O-N 2.96Å; S162-Y166 WeakPolarHBondContact O-CB 3.2Å; S162-Y166 PolarHBondContact O-N 3.16Å
163	V	84.6	Confident	86	Confident	8 Å²	8	16.4 Å²	16.4	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-41.8	-178.6	174.5	0	0	0	0	110.7	F73 I76 W90 F111 L153 D159 Y166 L167	F73-V163 HydrophobicContact CD1-CG2 4.04Å; F73-V163 HydrophobicContact CE1-CB 4.45Å; F73-V163 HydrophobicContact CE1-CG2 3.94Å; I76-V163 HydrophobicContact CD1-CG1 3.87Å; I76-V163 HydrophobicContact CD1-CG2 4.46Å; W90-V163 HydrophobicContact CD2-CG1 4.1Å; W90-V163 HydrophobicContact CE3-CG1 3.7Å; W90-V163 HydrophobicContact CH2-CB 4.09Å; W90-V163 HydrophobicContact CH2-CG1 3.51Å; W90-V163 HydrophobicContact CH2-CG2 3.97Å; W90-V163 HydrophobicContact CZ2-CB 4.49Å; W90-V163 HydrophobicContact CZ2-CG1 3.87Å; W90-V163 HydrophobicContact CZ2-CG2 3.99Å; W90-V163 HydrophobicContact CZ3-CB 4.36Å; W90-V163 HydrophobicContact CZ3-CG1 3.42Å; W90-V163 VanDerWaalsContact CZ3-CG1 3.42Å; F111-V163 HydrophobicContact CZ-CG1 4.38Å; L153-V163 HydrophobicContact CD2-CG2 3.92Å; D159-V163 WeakPolarHBondContact O-CB 3.34Å; D159-V163 VanDerWaalsContact O-CG2 3.26Å; D159-V163 WeakPolarHBondContact O-CG2 3.29Å; D159-V163 PolarHBondContact O-N 2.7Å; V163-Y166 PolarHBondContact O-N 3.33Å; V163-L167 HydrophobicContact CG1-CD1 3.61Å; V163-L167 HydrophobicContact CG1-CG 4.18Å; V163-L167 WeakPolarHBondContact O-CB 3.43Å; V163-L167 WeakPolarHBondContact O-CG 3.42Å; V163-L167 PolarHBondContact O-N 2.6Å
164	F	88.8	Confident	86.3	Confident	1 Å²	1	20.2 Å²	20.2	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-52.6	174.3	174.5	-102	0	0	0	111.8	V97 F104 S107 F108 F111 I160 Y166 L167 W168	V97-F164 HydrophobicContact CG1-CD2 3.98Å; V97-F164 HydrophobicContact CG1-CE2 3.94Å; V97-F164 HydrophobicContact CG2-CD2 4.41Å; F104-F164 AromaticContact CD2-CE1 3.82Å; F104-F164 HydrophobicContact CD2-CE1 3.82Å; F104-F164 HydrophobicContact CD2-CZ 4.28Å; F104-F164 HydrophobicContact CE1-CE1 4.29Å; F104-F164 HydrophobicContact CE2-CD1 4.2Å; F104-F164 AromaticContact CE2-CE1 3.44Å; F104-F164 HydrophobicContact CE2-CE1 3.44Å; F104-F164 VanDerWaalsContact CE2-CE1 3.44Å; F104-F164 HydrophobicContact CE2-CZ 4.3Å; F104-F164 HydrophobicContact CG-CE1 4.41Å; F104-F164 HydrophobicContact CZ-CD1 4.24Å; F104-F164 AromaticContact CZ-CE1 3.69Å; F104-F164 HydrophobicContact CZ-CE1 3.69Å; F104-F164 WeakPolarHBondContact O-CZ 3.46Å; S107-F164 VanDerWaalsContact C-CE2 3.44Å; F108-F164 VanDerWaalsContact CA-CE2 3.46Å; F108-F164 VanDerWaalsContact CA-CZ 3.45Å; F108-F164 HydrophobicContact CB-CD1 4.01Å; F108-F164 HydrophobicContact CB-CD2 4.49Å; F108-F164 HydrophobicContact CB-CE1 3.56Å; F108-F164 HydrophobicContact CB-CE2 4.13Å; F108-F164 HydrophobicContact CB-CG 4.45Å; F108-F164 HydrophobicContact CB-CZ 3.65Å; F108-F164 HydrophobicContact CD2-CB 4.09Å; F108-F164 AromaticContact CD2-CD1 3.5Å; F108-F164 HydrophobicContact CD2-CD1 3.5Å; F108-F164 VanDerWaalsContact CD2-CD1 3.5Å; F108-F164 HydrophobicContact CD2-CD2 4.29Å; F108-F164 AromaticContact CD2-CE1 3.98Å; F108-F164 HydrophobicContact CD2-CE1 3.98Å; F108-F164 AromaticContact CD2-CG 3.66Å; F108-F164 HydrophobicContact CD2-CG 3.66Å; F108-F164 HydrophobicContact CE2-CB 4.48Å; F108-F164 HydrophobicContact CE2-CD1 4.44Å; F108-F164 HydrophobicContact CE2-CG 4.5Å; F108-F164 HydrophobicContact CG-CD1 4.21Å; F108-F164 HydrophobicContact CG-CE1 4.23Å; F111-F164 HydrophobicContact CB-CD2 3.88Å; F111-F164 HydrophobicContact CB-CE2 4.33Å; F111-F164 HydrophobicContact CD1-CB 3.69Å; F111-F164 AromaticContact CD1-CD2 3.84Å; F111-F164 HydrophobicContact CD1-CD2 3.84Å; F111-F164 HydrophobicContact CD1-CG 4.15Å; F111-F164 HydrophobicContact CE1-CB 3.81Å; F111-F164 AromaticContact CG-CD2 3.99Å; F111-F164 HydrophobicContact CG-CD2 3.99Å; I160-F164 WeakPolarHBondContact O-CB 3.27Å; I160-F164 PolarHBondContact O-N 2.89Å; F164-Y166 VanDerWaalsContact C-N 3.31Å; F164-Y166 PolarHBondContact O-N 2.79Å; F164-L167 PolarHBondContact O-N 3.07Å; F164-W168 HydrophobicContact CE1-CB 4.24Å; F164-W168 HydrophobicContact CE1-CG 4.41Å; F164-W168 HydrophobicContact CE2-CB 4.12Å; F164-W168 HydrophobicContact CE2-CG 4.38Å; F164-W168 HydrophobicContact CZ-CB 3.93Å; F164-W168 AromaticContact CZ-CD1 3.83Å; F164-W168 AromaticContact CZ-CG 3.91Å; F164-W168 HydrophobicContact CZ-CG 3.91Å; F164-W168 VanDerWaalsContact O-CB 3.23Å; F164-W168 WeakPolarHBondContact O-CB 3.43Å; F164-W168 PolarHBondContact O-N 3.38Å
165	A	88.5	Confident	86.8	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-43.9	-178.7	0	0	0	0	0	111	F39 F41 F63 S161 S162 C169	F39-A165 HydrophobicContact CD2-CB 3.64Å; F39-A165 HydrophobicContact CE2-CB 3.98Å; F41-A165 HydrophobicContact CE2-CB 4.33Å; F63-A165 HydrophobicContact CZ-CB 4.34Å; S161-A165 WeakPolarHBondContact O-CB 3.42Å; S161-A165 PolarHBondContact O-N 3.27Å; S162-A165 PolarHBondContact O-N 2.96Å; A165-C169 WeakPolarHBondContact O-CB 3.25Å; A165-C169 PolarHBondContact O-N 2.97Å; A165-C169 PolarHBondContact O-SG 3.09Å
166	Y	86.2	Confident	87.2	Confident	21 Å²	21	19.2 Å²	19.2	8%	0.082	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-54.8	175.4	179	-92	0	0	0	112.3	F63 F73 I76 I77 S162 V163 F164 T170 F221	F63-Y166 HydrophobicContact CB-CD2 4.17Å; F63-Y166 HydrophobicContact CB-CE2 4.27Å; F63-Y166 AromaticContact CD1-CD2 3.82Å; F63-Y166 HydrophobicContact CD1-CD2 3.82Å; F63-Y166 AromaticContact CD2-CD2 3.97Å; F63-Y166 HydrophobicContact CD2-CD2 3.97Å; F63-Y166 HydrophobicContact CE1-CD2 4.2Å; F63-Y166 HydrophobicContact CE2-CD2 4.34Å; F63-Y166 AromaticContact CG-CD2 3.7Å; F63-Y166 HydrophobicContact CG-CD2 3.7Å; F63-Y166 HydrophobicContact CG-CE2 4.27Å; F63-Y166 VanDerWaalsContact CZ-CA 3.48Å; F63-Y166 HydrophobicContact CZ-CD2 4.46Å; F73-Y166 HydrophobicContact CD1-CG 4.19Å; F73-Y166 AromaticContact CD2-CD2 3.89Å; F73-Y166 HydrophobicContact CD2-CD2 3.89Å; F73-Y166 HydrophobicContact CD2-CE2 4.27Å; F73-Y166 HydrophobicContact CD2-CG 4.29Å; F73-Y166 HydrophobicContact CE1-CG 4.26Å; F73-Y166 HydrophobicContact CE2-CD2 4Å; F73-Y166 HydrophobicContact CE2-CG 4.34Å; F73-Y166 HydrophobicContact CG-CD2 4.19Å; F73-Y166 HydrophobicContact CG-CG 4.19Å; F73-Y166 HydrophobicContact CZ-CD2 4.4Å; F73-Y166 HydrophobicContact CZ-CG 4.32Å; I76-Y166 HydrophobicContact CB-CD1 4.32Å; I76-Y166 HydrophobicContact CB-CE1 3.76Å; I76-Y166 HydrophobicContact CD1-CD1 3.91Å; I76-Y166 HydrophobicContact CD1-CE1 4.2Å; I76-Y166 HydrophobicContact CG1-CE1 4.5Å; I76-Y166 HydrophobicContact CG2-CD1 3.99Å; I76-Y166 HydrophobicContact CG2-CE1 3.58Å; I77-Y166 HydrophobicContact CD1-CE1 3.69Å; I77-Y166 WeakPolarHBondContact CD1-OH 3.02Å; I77-Y166 HydrophobicContact CG1-CE1 3.9Å; I77-Y166 WeakPolarHBondContact CG1-OH 3.17Å; S162-Y166 WeakPolarHBondContact O-CB 3.2Å; S162-Y166 PolarHBondContact O-N 3.16Å; V163-Y166 PolarHBondContact O-N 3.33Å; F164-Y166 VanDerWaalsContact C-N 3.31Å; F164-Y166 PolarHBondContact O-N 2.79Å; Y166-T170 HydrophobicContact CD2-CG2 4.44Å; Y166-T170 HydrophobicContact CE1-CG2 4.49Å; Y166-T170 HydrophobicContact CE2-CG2 4.26Å; Y166-T170 WeakPolarHBondContact O-CB 3.46Å; Y166-T170 VanDerWaalsContact O-CG2 3.24Å; Y166-T170 WeakPolarHBondContact O-CG2 3.49Å; Y166-T170 PolarHBondContact O-N 2.67Å; Y166-T170 PolarHBondContact O-OG1 3.12Å; Y166-F221 HydrophobicContact CE2-CE1 4.08Å; Y166-F221 HydrophobicContact CE2-CZ 4.29Å
167	L	87	Confident	87.4	Confident	10 Å²	10	27 Å²	27	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-45.4	-177.6	-75.3	172	0	0	0	112	I76 W90 V97 V163 F164 T170 K171	I76-L167 HydrophobicContact CD1-CG 4.48Å; I76-L167 HydrophobicContact CG2-CD2 3.28Å; I76-L167 HydrophobicContact CG2-CG 4.19Å; W90-L167 HydrophobicContact CE3-CD1 4.16Å; V97-L167 HydrophobicContact CB-CB 4.45Å; V97-L167 HydrophobicContact CG1-CB 3.69Å; V97-L167 HydrophobicContact CG2-CB 4.42Å; V97-L167 HydrophobicContact CG2-CD1 4.04Å; V163-L167 HydrophobicContact CG1-CD1 3.61Å; V163-L167 HydrophobicContact CG1-CG 4.18Å; V163-L167 WeakPolarHBondContact O-CB 3.43Å; V163-L167 WeakPolarHBondContact O-CG 3.42Å; V163-L167 PolarHBondContact O-N 2.6Å; F164-L167 PolarHBondContact O-N 3.07Å; L167-T170 PolarHBondContact O-OG1 3.21Å; L167-K171 WeakPolarHBondContact O-CB 3.39Å; L167-K171 VanDerWaalsContact O-CG 3.32Å; L167-K171 WeakPolarHBondContact O-CG 3.45Å; L167-K171 PolarHBondContact O-N 3.41Å
168	W	91.2	Very high	87.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.9	-47.4	-179	-172.1	91.1	0	0	0	111.4	V97 F98 F104 F164 K171 V172 F187 D190 I191 C195	V97-W168 HydrophobicContact CG1-CB 3.87Å; F98-W168 AromaticContact CD2-CD1 3.83Å; F98-W168 HydrophobicContact CD2-CG 4.45Å; F98-W168 AromaticContact CD2-NE1 3.77Å; F104-W168 HydrophobicContact CB-CH2 4.1Å; F104-W168 HydrophobicContact CB-CZ2 3.89Å; F104-W168 AromaticContact CD2-CD2 3.59Å; F104-W168 HydrophobicContact CD2-CD2 3.59Å; F104-W168 AromaticContact CD2-CE2 3.88Å; F104-W168 AromaticContact CD2-CE3 3.44Å; F104-W168 HydrophobicContact CD2-CE3 3.44Å; F104-W168 VanDerWaalsContact CD2-CE3 3.44Å; F104-W168 HydrophobicContact CD2-CG 4.25Å; F104-W168 AromaticContact CD2-CH2 3.94Å; F104-W168 HydrophobicContact CD2-CH2 3.94Å; F104-W168 HydrophobicContact CD2-CZ2 4.06Å; F104-W168 AromaticContact CD2-CZ3 3.6Å; F104-W168 HydrophobicContact CD2-CZ3 3.6Å; F104-W168 HydrophobicContact CE2-CD2 4.19Å; F104-W168 AromaticContact CE2-CE3 3.85Å; F104-W168 HydrophobicContact CE2-CE3 3.85Å; F104-W168 HydrophobicContact CE2-CZ3 4.24Å; F164-W168 HydrophobicContact CE1-CB 4.24Å; F164-W168 HydrophobicContact CE1-CG 4.41Å; F164-W168 HydrophobicContact CE2-CB 4.12Å; F164-W168 HydrophobicContact CE2-CG 4.38Å; F164-W168 HydrophobicContact CZ-CB 3.93Å; F164-W168 AromaticContact CZ-CD1 3.83Å; F164-W168 AromaticContact CZ-CG 3.91Å; F164-W168 HydrophobicContact CZ-CG 3.91Å; F164-W168 VanDerWaalsContact O-CB 3.23Å; F164-W168 WeakPolarHBondContact O-CB 3.43Å; F164-W168 PolarHBondContact O-N 3.38Å; W168-K171 PolarHBondContact O-N 3.46Å; W168-V172 HydrophobicContact CD2-CG1 4.46Å; W168-V172 HydrophobicContact CE3-CB 4.44Å; W168-V172 HydrophobicContact CE3-CG1 3.91Å; W168-V172 HydrophobicContact CH2-CB 4.3Å; W168-V172 HydrophobicContact CH2-CG1 4.07Å; W168-V172 HydrophobicContact CH2-CG2 4.15Å; W168-V172 HydrophobicContact CZ2-CB 4.39Å; W168-V172 HydrophobicContact CZ2-CG2 4.25Å; W168-V172 HydrophobicContact CZ3-CB 4.34Å; W168-V172 HydrophobicContact CZ3-CG1 3.72Å; W168-V172 WeakPolarHBondContact O-CB 3.48Å; W168-V172 WeakPolarHBondContact O-CG1 3.4Å; W168-V172 PolarHBondContact O-N 2.04Å; W168-F187 HydrophobicContact CZ2-CD1 4.13Å; W168-F187 HydrophobicContact CZ2-CE1 4.41Å; W168-D190 HydrophobicContact CH2-CB 3.63Å; W168-D190 HydrophobicContact CZ2-CB 4.14Å; W168-I191 HydrophobicContact CH2-CG1 4.13Å; W168-I191 HydrophobicContact CZ3-CG1 4.04Å; W168-C195 VanDerWaalsContact CE3-SG 3.6Å; W168-C195 WeakPolarHBondContact CZ3-SG 3.03Å
169	C	91.3	Very high	88.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-41.7	-177.6	-67.2	0	0	0	0	112.7	F63 A165 K171 V172 W173 C195 A220	F63-C169 HydrophobicContact CE2-CB 3.92Å; A165-C169 WeakPolarHBondContact O-CB 3.25Å; A165-C169 PolarHBondContact O-N 2.97Å; A165-C169 PolarHBondContact O-SG 3.09Å; C169-K171 VanDerWaalsContact C-N 3.31Å; C169-K171 PolarHBondContact O-N 2.99Å; C169-V172 WeakPolarHBondContact O-CG1 3.25Å; C169-W173 WeakPolarHBondContact O-CB 3.49Å; C169-W173 PolarHBondContact O-N 3.36Å; C169-C195 WeakPolarHBondContact CA-SG 3.34Å; C169-C195 HydrophobicContact CB-CB 3.93Å; C169-C195 WeakPolarHBondContact CB-SG 3.41Å; C169-C195 WeakPolarHBondContact SG-CA 3.28Å; C169-C195 WeakPolarHBondContact SG-CB 3.02Å; C169-C195 CovalentContact SG-SG 2.03Å; C169-C195 PolarHBondContact SG-SG 3.37Å; C169-A220 HydrophobicContact CB-CB 3.89Å
170	T	88.7	Confident	88.8	Confident	23 Å²	23	30.8 Å²	30.8	14%	0.141	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-39.2	177	52.6	0	0	0	0	111.4	I77 Y166 L167 A174 A220 F221	I77-T170 HydrophobicContact CD1-CG2 4.45Å; Y166-T170 HydrophobicContact CD2-CG2 4.44Å; Y166-T170 HydrophobicContact CE1-CG2 4.49Å; Y166-T170 HydrophobicContact CE2-CG2 4.26Å; Y166-T170 WeakPolarHBondContact O-CB 3.46Å; Y166-T170 VanDerWaalsContact O-CG2 3.24Å; Y166-T170 WeakPolarHBondContact O-CG2 3.49Å; Y166-T170 PolarHBondContact O-N 2.67Å; Y166-T170 PolarHBondContact O-OG1 3.12Å; L167-T170 PolarHBondContact O-OG1 3.21Å; T170-A174 WeakPolarHBondContact O-CB 3.26Å; T170-A174 PolarHBondContact O-N 3.32Å; T170-A174 VanDerWaalsContact O-N 3.11Å; T170-A220 HydrophobicContact CG2-CB 4.41Å; T170-F221 HydrophobicContact CG2-CE2 3.82Å; T170-F221 HydrophobicContact CG2-CZ 3.73Å
171	K	89.1	Confident	88.9	Confident	41 Å²	41	34.6 Å²	34.6	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-72.7	-45.2	178	-78.5	-168.5	165.8	-157.2	0	114.7	D94 F98 L167 W168 C169 W173 A174 N175	D94-K171 PolarHBondContact O-NZ 2.75Å; D94-K171 WeakPolarHBondContact OD1-CE 3.41Å; D94-K171 IonicContact OD1-NZ 3.68Å; D94-K171 PolarHBondContact OD1-NZ 3.39Å; D94-K171 IonicContact OD2-NZ 2.8Å; D94-K171 PolarHBondContact OD2-NZ 3.37Å; F98-K171 HydrophobicContact CB-CB 4.01Å; F98-K171 HydrophobicContact CB-CD 3.44Å; F98-K171 VanDerWaalsContact CB-CD 3.44Å; F98-K171 HydrophobicContact CB-CG 4.42Å; F98-K171 HydrophobicContact CD1-CB 4.11Å; F98-K171 HydrophobicContact CD1-CD 4.29Å; F98-K171 HydrophobicContact CD2-CB 4.17Å; F98-K171 HydrophobicContact CG-CB 3.8Å; F98-K171 HydrophobicContact CG-CD 4.02Å; L167-K171 WeakPolarHBondContact O-CB 3.39Å; L167-K171 VanDerWaalsContact O-CG 3.32Å; L167-K171 WeakPolarHBondContact O-CG 3.45Å; L167-K171 PolarHBondContact O-N 3.41Å; W168-K171 PolarHBondContact O-N 3.46Å; C169-K171 VanDerWaalsContact C-N 3.31Å; C169-K171 PolarHBondContact O-N 2.99Å; K171-W173 VanDerWaalsContact C-N 3.26Å; K171-W173 PolarHBondContact O-N 2.82Å; K171-A174 PolarHBondContact O-N 3.37Å; K171-N175 PolarHBondContact O-N 2.03Å; K171-N175 PolarHBondContact O-ND2 2.79Å
172	V	91.6	Very high	89.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-40.5	-179.7	72.7	0	0	0	0	110	F98 W168 C169 N175 F176 F179 F187 I191	F98-V172 HydrophobicContact CD2-CB 4.32Å; F98-V172 HydrophobicContact CE2-CB 3.61Å; F98-V172 HydrophobicContact CE2-CG2 3.83Å; F98-V172 HydrophobicContact CZ-CB 4.24Å; F98-V172 HydrophobicContact CZ-CG2 4.26Å; W168-V172 HydrophobicContact CD2-CG1 4.46Å; W168-V172 HydrophobicContact CE3-CB 4.44Å; W168-V172 HydrophobicContact CE3-CG1 3.91Å; W168-V172 HydrophobicContact CH2-CB 4.3Å; W168-V172 HydrophobicContact CH2-CG1 4.07Å; W168-V172 HydrophobicContact CH2-CG2 4.15Å; W168-V172 HydrophobicContact CZ2-CB 4.39Å; W168-V172 HydrophobicContact CZ2-CG2 4.25Å; W168-V172 HydrophobicContact CZ3-CB 4.34Å; W168-V172 HydrophobicContact CZ3-CG1 3.72Å; W168-V172 WeakPolarHBondContact O-CB 3.48Å; W168-V172 WeakPolarHBondContact O-CG1 3.4Å; W168-V172 PolarHBondContact O-N 2.04Å; C169-V172 WeakPolarHBondContact O-CG1 3.25Å; V172-N175 CarbonylContact O-C 3.5Å; V172-N175 PolarHBondContact O-N 2.02Å; V172-F176 WeakPolarHBondContact O-CA 3.24Å; V172-F176 WeakPolarHBondContact O-CB 3.33Å; V172-F176 PolarHBondContact O-N 2.65Å; V172-F179 HydrophobicContact CG2-CE2 4.26Å; V172-F187 HydrophobicContact CG2-CB 4.06Å; V172-F187 HydrophobicContact CG2-CD1 3.79Å; V172-F187 HydrophobicContact CG2-CE1 4.43Å; V172-F187 HydrophobicContact CG2-CG 3.95Å; V172-I191 HydrophobicContact CG1-CD1 3.93Å; V172-I191 HydrophobicContact CG1-CG1 3.76Å; V172-I191 HydrophobicContact CG2-CD1 4.09Å; V172-I191 HydrophobicContact CG2-CG1 4.35Å
173	W	91.4	Very high	89.4	Confident	33 Å²	33	39.6 Å²	39.6	13%	0.125	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-38.6	175.6	-84.6	113.3	0	0	0	112.9	C169 K171 N175 F176 I191 V217 G219	C169-W173 WeakPolarHBondContact O-CB 3.49Å; C169-W173 PolarHBondContact O-N 3.36Å; K171-W173 VanDerWaalsContact C-N 3.26Å; K171-W173 PolarHBondContact O-N 2.82Å; W173-N175 VanDerWaalsContact C-N 3.29Å; W173-N175 PolarHBondContact O-N 3.13Å; W173-F176 HydrophobicContact CE3-CB 4.28Å; W173-F176 HydrophobicContact CE3-CG 4.3Å; W173-F176 HydrophobicContact CZ3-CD1 4.26Å; W173-F176 HydrophobicContact CZ3-CG 4.35Å; W173-F176 WeakPolarHBondContact O-CB 3.38Å; W173-F176 PolarHBondContact O-N 3.42Å; W173-I191 HydrophobicContact CZ2-CD1 4.34Å; W173-I191 HydrophobicContact CZ2-CG2 3.75Å; W173-V217 HydrophobicContact CH2-CB 4.38Å; W173-V217 HydrophobicContact CH2-CG1 3.96Å; W173-V217 HydrophobicContact CZ2-CB 4.25Å; W173-V217 HydrophobicContact CZ2-CG1 3.45Å; W173-V217 VanDerWaalsContact CZ2-CG1 3.45Å; W173-G219 PolarHBondContact NE1-O 2.03Å
174	A	89.5	Confident	89.7	Confident	80 Å²	80	42.1 Å²	42.1	66%	0.661	25%	0.247	S	C	*	.	H	α-helix	trans	-62.9	-35.5	175.7	0	0	0	0	0	112.6	T170 K171	T170-A174 WeakPolarHBondContact O-CB 3.26Å; T170-A174 PolarHBondContact O-N 3.32Å; T170-A174 VanDerWaalsContact O-N 3.11Å; K171-A174 PolarHBondContact O-N 3.37Å
175	N	90	Very high	89.8	Confident	57 Å²	57	49.8 Å²	49.8	31%	0.305	28%	0.281	S	S	.	.	H	α-helix	trans	-94.2	-6.8	179.8	-65.6	-70.6	0	0	0	113.6	F98 K171 V172 W173 H177 S178 F179	F98-N175 HydrophobicContact CE1-CB 4.41Å; K171-N175 PolarHBondContact O-N 2.03Å; K171-N175 PolarHBondContact O-ND2 2.79Å; V172-N175 CarbonylContact O-C 3.5Å; V172-N175 PolarHBondContact O-N 2.02Å; W173-N175 VanDerWaalsContact C-N 3.29Å; W173-N175 PolarHBondContact O-N 3.13Å; N175-H177 VanDerWaalsContact C-N 3.26Å; N175-H177 PolarHBondContact O-N 2.87Å; N175-H177 VanDerWaalsContact O-N 3.1Å; N175-S178 WeakPolarHBondContact O-CB 3.48Å; N175-S178 PolarHBondContact O-N 3.4Å; N175-S178 PolarHBondContact O-OG 3.06Å; N175-F179 HydrophobicContact CB-CE1 3.9Å; N175-F179 HydrophobicContact CB-CE2 4.11Å; N175-F179 HydrophobicContact CB-CZ 3.4Å
176	F	90.2	Very high	89.8	Confident	21 Å²	21	53.3 Å²	53.3	9%	0.092	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-54.3	-39.6	-169.6	-168.7	-99.3	0	0	0	113.8	V172 W173 S178 F179 Q184 F187 L188 I191	V172-F176 WeakPolarHBondContact O-CA 3.24Å; V172-F176 WeakPolarHBondContact O-CB 3.33Å; V172-F176 PolarHBondContact O-N 2.65Å; W173-F176 HydrophobicContact CE3-CB 4.28Å; W173-F176 HydrophobicContact CE3-CG 4.3Å; W173-F176 HydrophobicContact CZ3-CD1 4.26Å; W173-F176 HydrophobicContact CZ3-CG 4.35Å; W173-F176 WeakPolarHBondContact O-CB 3.38Å; W173-F176 PolarHBondContact O-N 3.42Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 2.88Å; F176-F179 PolarHBondContact O-N 2.9Å; F176-Q184 HydrophobicContact CE1-CB 4.49Å; F176-Q184 HydrophobicContact CE1-CG 4.23Å; F176-Q184 HydrophobicContact CE2-CB 4.33Å; F176-Q184 HydrophobicContact CE2-CG 4.43Å; F176-Q184 HydrophobicContact CZ-CB 3.93Å; F176-Q184 HydrophobicContact CZ-CG 4.07Å; F176-Q184 PolarHBondContact O-NE2 2.82Å; F176-F187 HydrophobicContact CE2-CB 4.44Å; F176-L188 HydrophobicContact CE2-CD2 3.96Å; F176-L188 HydrophobicContact CE2-CG 3.83Å; F176-L188 HydrophobicContact CZ-CD1 3.98Å; F176-L188 HydrophobicContact CZ-CD2 3.65Å; F176-L188 HydrophobicContact CZ-CG 3.58Å; F176-I191 HydrophobicContact CD2-CD1 3.93Å; F176-I191 HydrophobicContact CE2-CD1 4Å
177	H	88.7	Confident	90.1	Very high	162 Å²	162	52.6 Å²	52.6	75%	0.75	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-71.9	-20.2	179.6	-65.1	-59.8	0	0	0	114.3	N175 F179	N175-H177 VanDerWaalsContact C-N 3.26Å; N175-H177 PolarHBondContact O-N 2.87Å; N175-H177 VanDerWaalsContact O-N 3.1Å; H177-F179 VanDerWaalsContact C-N 3.35Å
178	S	90	Very high	90.3	Very high	82 Å²	82	55.5 Å²	55.5	57%	0.573	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-81.5	-17	178.3	71.9	0	0	0	0	113	N175 F176	N175-S178 WeakPolarHBondContact O-CB 3.48Å; N175-S178 PolarHBondContact O-N 3.4Å; N175-S178 PolarHBondContact O-OG 3.06Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 2.88Å
179	F	90.4	Very high	90.2	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.035	34%	0.339	C	S	.	.	S	Bend	trans	-76.2	148.8	-178.4	-59.6	-30	0	0	0	112.6	F98 E100 V172 N175 F176 H177 Q183 Q184 F187	F98-F179 HydrophobicContact CE1-CZ 4.28Å; F98-F179 HydrophobicContact CZ-CE2 4.39Å; F98-F179 AromaticContact CZ-CZ 3.77Å; F98-F179 HydrophobicContact CZ-CZ 3.77Å; E100-F179 HydrophobicContact CG-CE1 3.86Å; E100-F179 HydrophobicContact CG-CZ 4.46Å; V172-F179 HydrophobicContact CG2-CE2 4.26Å; N175-F179 HydrophobicContact CB-CE1 3.9Å; N175-F179 HydrophobicContact CB-CE2 4.11Å; N175-F179 HydrophobicContact CB-CZ 3.4Å; F176-F179 PolarHBondContact O-N 2.9Å; H177-F179 VanDerWaalsContact C-N 3.35Å; F179-Q183 HydrophobicContact CB-CB 3.8Å; F179-Q183 HydrophobicContact CG-CB 4.33Å; F179-Q184 HydrophobicContact CB-CG 3.9Å; F179-Q184 PolarHBondContact O-NE2 3.41Å; F179-F187 AromaticContact CD2-CD2 3.52Å; F179-F187 HydrophobicContact CD2-CD2 3.52Å; F179-F187 AromaticContact CD2-CE2 3.9Å; F179-F187 HydrophobicContact CD2-CE2 3.9Å; F179-F187 HydrophobicContact CD2-CG 4.42Å; F179-F187 HydrophobicContact CE1-CE2 4.47Å; F179-F187 AromaticContact CE2-CD2 3.63Å; F179-F187 HydrophobicContact CE2-CD2 3.63Å; F179-F187 AromaticContact CE2-CE2 3.78Å; F179-F187 HydrophobicContact CE2-CE2 3.78Å; F179-F187 HydrophobicContact CE2-CG 4.31Å; F179-F187 HydrophobicContact CG-CD2 4.23Å; F179-F187 HydrophobicContact CG-CE2 4.32Å; F179-F187 HydrophobicContact CZ-CD2 4.41Å; F179-F187 HydrophobicContact CZ-CE2 4.1Å
180	N	92.1	Very high	90.2	Very high	87 Å²	87	62.3 Å²	62.3	47%	0.465	34%	0.344	S	S	.	.			trans	-70	165.1	171	70.1	40.8	0	0	0	111.2	A182 Q183 Q184	N180-A182 VanDerWaalsContact C-N 3.27Å; N180-A182 PolarHBondContact O-N 3.29Å; N180-A182 PolarHBondContact OD1-N 2.98Å; N180-Q183 VanDerWaalsContact N-OE1 3.08Å; N180-Q183 PolarHBondContact ND2-OE1 3.25Å; N180-Q183 VanDerWaalsContact ND2-OE1 3.14Å; N180-Q183 PolarHBondContact O-N 3.22Å; N180-Q183 WeakPolarHBondContact OD1-CB 3.34Å; N180-Q183 WeakPolarHBondContact OD1-CG 3.32Å; N180-Q183 PolarHBondContact OD1-N 3.45Å; N180-Q183 PolarHBondContact OD1-OE1 3.5Å; N180-Q184 WeakPolarHBondContact O-CG 3.23Å; N180-Q184 PolarHBondContact O-N 2.9Å
181	A	90.2	Very high	90.3	Very high	80 Å²	80	61.8 Å²	61.8	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-59	-33.2	-174.9	0	0	0	0	0	114.3	K185	A181-K185 PolarHBondContact O-N 3.17Å; A181-K185 VanDerWaalsContact O-N 3.17Å
182	A	89.2	Confident	90.3	Very high	65 Å²	65	65.2 Å²	65.2	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-49.2	177.3	0	0	0	0	0	111	N180 Q184 K185 D186	N180-A182 VanDerWaalsContact C-N 3.27Å; N180-A182 PolarHBondContact O-N 3.29Å; N180-A182 PolarHBondContact OD1-N 2.98Å; A182-Q184 VanDerWaalsContact C-N 3.32Å; A182-Q184 PolarHBondContact O-N 2.04Å; A182-K185 WeakPolarHBondContact O-CB 3.01Å; A182-K185 PolarHBondContact O-N 2.76Å; A182-D186 WeakPolarHBondContact O-CB 3.23Å; A182-D186 PolarHBondContact O-N 2.82Å
183	Q	89.2	Confident	90.1	Very high	53 Å²	53	67.3 Å²	67.3	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-59	-40.7	174.2	-73.7	173.7	-49.2	0	0	112	F179 N180 K185 D186 F187	F179-Q183 HydrophobicContact CB-CB 3.8Å; F179-Q183 HydrophobicContact CG-CB 4.33Å; N180-Q183 VanDerWaalsContact N-OE1 3.08Å; N180-Q183 PolarHBondContact ND2-OE1 3.25Å; N180-Q183 VanDerWaalsContact ND2-OE1 3.14Å; N180-Q183 PolarHBondContact O-N 3.22Å; N180-Q183 WeakPolarHBondContact OD1-CB 3.34Å; N180-Q183 WeakPolarHBondContact OD1-CG 3.32Å; N180-Q183 PolarHBondContact OD1-N 3.45Å; N180-Q183 PolarHBondContact OD1-OE1 3.5Å; Q183-K185 PolarHBondContact O-N 3.24Å; Q183-D186 WeakPolarHBondContact O-CB 2.83Å; Q183-D186 PolarHBondContact O-N 3.23Å; Q183-F187 HydrophobicContact CB-CD2 4.31Å; Q183-F187 HydrophobicContact CB-CE2 4.35Å; Q183-F187 WeakPolarHBondContact O-CB 3.22Å; Q183-F187 WeakPolarHBondContact O-CD2 3.27Å; Q183-F187 PolarHBondContact O-N 2.77Å
184	Q	90.5	Very high	89.9	Confident	60 Å²	60	65.7 Å²	65.7	28%	0.28	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-46.3	176.4	-74.6	178.8	7.5	0	0	111.5	F176 F179 N180 A182 D186 F187 L188	F176-Q184 HydrophobicContact CE1-CB 4.49Å; F176-Q184 HydrophobicContact CE1-CG 4.23Å; F176-Q184 HydrophobicContact CE2-CB 4.33Å; F176-Q184 HydrophobicContact CE2-CG 4.43Å; F176-Q184 HydrophobicContact CZ-CB 3.93Å; F176-Q184 HydrophobicContact CZ-CG 4.07Å; F176-Q184 PolarHBondContact O-NE2 2.82Å; F179-Q184 HydrophobicContact CB-CG 3.9Å; F179-Q184 PolarHBondContact O-NE2 3.41Å; N180-Q184 WeakPolarHBondContact O-CG 3.23Å; N180-Q184 PolarHBondContact O-N 2.9Å; A182-Q184 VanDerWaalsContact C-N 3.32Å; A182-Q184 PolarHBondContact O-N 2.04Å; Q184-D186 VanDerWaalsContact C-N 3.31Å; Q184-D186 PolarHBondContact O-N 3.41Å; Q184-F187 PolarHBondContact O-N 3.49Å; Q184-L188 WeakPolarHBondContact O-CB 3.42Å; Q184-L188 WeakPolarHBondContact O-CG 3.22Å; Q184-L188 PolarHBondContact O-N 2.93Å
185	K	90.6	Very high	89.9	Confident	163 Å²	163	62 Å²	62	71%	0.709	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-44.2	177	-175.7	-174.8	176.4	-172.4	0	111.5	A181 A182 Q183 L188 E189	A181-K185 PolarHBondContact O-N 3.17Å; A181-K185 VanDerWaalsContact O-N 3.17Å; A182-K185 WeakPolarHBondContact O-CB 3.01Å; A182-K185 PolarHBondContact O-N 2.76Å; Q183-K185 PolarHBondContact O-N 3.24Å; K185-L188 PolarHBondContact O-N 3.43Å; K185-E189 PolarHBondContact O-N 3.21Å
186	D	89.4	Confident	89.9	Confident	73 Å²	73	59.5 Å²	59.5	39%	0.39	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-52.7	177.7	-87.4	-21.4	0	0	0	112.2	R103 A182 Q183 Q184 L188 E189 D190	R103-D186 IonicContact NH1-OD1 2.97Å; R103-D186 PolarHBondContact NH1-OD1 3.2Å; R103-D186 IonicContact NH1-OD2 3.34Å; R103-D186 PolarHBondContact NH2-O 2.77Å; A182-D186 WeakPolarHBondContact O-CB 3.23Å; A182-D186 PolarHBondContact O-N 2.82Å; Q183-D186 WeakPolarHBondContact O-CB 2.83Å; Q183-D186 PolarHBondContact O-N 3.23Å; Q184-D186 VanDerWaalsContact C-N 3.31Å; Q184-D186 PolarHBondContact O-N 3.41Å; D186-L188 VanDerWaalsContact C-N 3.29Å; D186-L188 PolarHBondContact O-N 2.98Å; D186-E189 PolarHBondContact O-N 3.14Å; D186-D190 PolarHBondContact O-N 3.19Å
187	F	91.8	Very high	90	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-27.8	178.2	-75.6	-61.5	0	0	0	112.9	F98 W168 V172 F176 F179 Q183 Q184 D190 I191	F98-F187 HydrophobicContact CE2-CE1 4.49Å; W168-F187 HydrophobicContact CZ2-CD1 4.13Å; W168-F187 HydrophobicContact CZ2-CE1 4.41Å; V172-F187 HydrophobicContact CG2-CB 4.06Å; V172-F187 HydrophobicContact CG2-CD1 3.79Å; V172-F187 HydrophobicContact CG2-CE1 4.43Å; V172-F187 HydrophobicContact CG2-CG 3.95Å; F176-F187 HydrophobicContact CE2-CB 4.44Å; F179-F187 AromaticContact CD2-CD2 3.52Å; F179-F187 HydrophobicContact CD2-CD2 3.52Å; F179-F187 AromaticContact CD2-CE2 3.9Å; F179-F187 HydrophobicContact CD2-CE2 3.9Å; F179-F187 HydrophobicContact CD2-CG 4.42Å; F179-F187 HydrophobicContact CE1-CE2 4.47Å; F179-F187 AromaticContact CE2-CD2 3.63Å; F179-F187 HydrophobicContact CE2-CD2 3.63Å; F179-F187 AromaticContact CE2-CE2 3.78Å; F179-F187 HydrophobicContact CE2-CE2 3.78Å; F179-F187 HydrophobicContact CE2-CG 4.31Å; F179-F187 HydrophobicContact CG-CD2 4.23Å; F179-F187 HydrophobicContact CG-CE2 4.32Å; F179-F187 HydrophobicContact CZ-CD2 4.41Å; F179-F187 HydrophobicContact CZ-CE2 4.1Å; Q183-F187 HydrophobicContact CB-CD2 4.31Å; Q183-F187 HydrophobicContact CB-CE2 4.35Å; Q183-F187 WeakPolarHBondContact O-CB 3.22Å; Q183-F187 WeakPolarHBondContact O-CD2 3.27Å; Q183-F187 PolarHBondContact O-N 2.77Å; Q184-F187 PolarHBondContact O-N 3.49Å; F187-D190 PolarHBondContact O-N 2.85Å; F187-I191 HydrophobicContact CB-CD1 4.46Å; F187-I191 VanDerWaalsContact O-CB 3.31Å; F187-I191 WeakPolarHBondContact O-CB 3.39Å; F187-I191 WeakPolarHBondContact O-CD1 3.44Å; F187-I191 WeakPolarHBondContact O-CG1 3.18Å; F187-I191 PolarHBondContact O-N 2.88Å
188	L	90.8	Very high	90.2	Very high	71 Å²	71	54.1 Å²	54.1	37%	0.372	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-42.1	175.2	-79.9	168.2	0	0	0	112.4	F176 Q184 K185 D186 D190 I191 E192	F176-L188 HydrophobicContact CE2-CD2 3.96Å; F176-L188 HydrophobicContact CE2-CG 3.83Å; F176-L188 HydrophobicContact CZ-CD1 3.98Å; F176-L188 HydrophobicContact CZ-CD2 3.65Å; F176-L188 HydrophobicContact CZ-CG 3.58Å; Q184-L188 WeakPolarHBondContact O-CB 3.42Å; Q184-L188 WeakPolarHBondContact O-CG 3.22Å; Q184-L188 PolarHBondContact O-N 2.93Å; K185-L188 PolarHBondContact O-N 3.43Å; D186-L188 VanDerWaalsContact C-N 3.29Å; D186-L188 PolarHBondContact O-N 2.98Å; L188-D190 VanDerWaalsContact C-N 3.31Å; L188-D190 PolarHBondContact O-N 3.48Å; L188-I191 PolarHBondContact O-N 3.42Å; L188-E192 WeakPolarHBondContact O-CG 3.23Å; L188-E192 PolarHBondContact O-N 2.86Å
189	E	89.7	Confident	90.3	Very high	120 Å²	120	51.1 Å²	51.1	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-62.7	-41.2	176.6	-176	178.9	-173.3	0	0	111.6	K185 D186 T193	K185-E189 PolarHBondContact O-N 3.21Å; D186-E189 PolarHBondContact O-N 3.14Å; E189-T193 PolarHBondContact O-N 2.78Å; E189-T193 PolarHBondContact O-OG1 3.36Å
190	D	91	Very high	90.2	Very high	23 Å²	23	54.8 Å²	54.8	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-41	176.2	-79.5	9.7	0	0	0	111.7	R103 F104 W168 D186 F187 L188 T193 G194	R103-D190 WeakPolarHBondContact CA-OD2 3.04Å; R103-D190 WeakPolarHBondContact CB-OD2 2.98Å; R103-D190 IonicContact CZ-OD1 2.78Å; R103-D190 IonicContact CZ-OD2 3.36Å; R103-D190 VanDerWaalsContact NE-CG 3.32Å; R103-D190 IonicContact NE-OD1 2.79Å; R103-D190 PolarHBondContact NE-OD1 2.91Å; R103-D190 IonicContact NE-OD2 3.05Å; R103-D190 PolarHBondContact NE-OD2 3.11Å; R103-D190 IonicContact NH2-OD1 3.35Å; R103-D190 PolarHBondContact NH2-OD1 2.88Å; R103-D190 IonicContact NH2-OD2 3.83Å; F104-D190 HydrophobicContact CB-CB 3.88Å; F104-D190 PolarHBondContact N-OD2 3.42Å; W168-D190 HydrophobicContact CH2-CB 3.63Å; W168-D190 HydrophobicContact CZ2-CB 4.14Å; D186-D190 PolarHBondContact O-N 3.19Å; F187-D190 PolarHBondContact O-N 2.85Å; L188-D190 VanDerWaalsContact C-N 3.31Å; L188-D190 PolarHBondContact O-N 3.48Å; D190-T193 PolarHBondContact O-N 2.76Å; D190-G194 WeakPolarHBondContact O-CA 3.02Å; D190-G194 PolarHBondContact O-N 2.93Å
191	I	91.3	Very high	89.9	Confident	12 Å²	12	54 Å²	54	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-47	176.3	-74.2	164.1	0	0	0	110.3	W168 V172 W173 F176 F187 L188 T193 G194 C195	W168-I191 HydrophobicContact CH2-CG1 4.13Å; W168-I191 HydrophobicContact CZ3-CG1 4.04Å; V172-I191 HydrophobicContact CG1-CD1 3.93Å; V172-I191 HydrophobicContact CG1-CG1 3.76Å; V172-I191 HydrophobicContact CG2-CD1 4.09Å; V172-I191 HydrophobicContact CG2-CG1 4.35Å; W173-I191 HydrophobicContact CZ2-CD1 4.34Å; W173-I191 HydrophobicContact CZ2-CG2 3.75Å; F176-I191 HydrophobicContact CD2-CD1 3.93Å; F176-I191 HydrophobicContact CE2-CD1 4Å; F187-I191 HydrophobicContact CB-CD1 4.46Å; F187-I191 VanDerWaalsContact O-CB 3.31Å; F187-I191 WeakPolarHBondContact O-CB 3.39Å; F187-I191 WeakPolarHBondContact O-CD1 3.44Å; F187-I191 WeakPolarHBondContact O-CG1 3.18Å; F187-I191 PolarHBondContact O-N 2.88Å; L188-I191 PolarHBondContact O-N 3.42Å; I191-T193 PolarHBondContact O-N 3.35Å; I191-G194 PolarHBondContact O-N 2.65Å; I191-C195 HydrophobicContact CG2-CB 4.03Å; I191-C195 WeakPolarHBondContact O-CA 3.24Å; I191-C195 VanDerWaalsContact O-CB 3.24Å; I191-C195 WeakPolarHBondContact O-CB 3.49Å; I191-C195 PolarHBondContact O-N 3.1Å
192	E	88.7	Confident	89.9	Confident	113 Å²	113	53 Å²	53	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-57.3	-33.9	178.1	-79	-176.1	-172.6	0	0	112.6	K42 L188	K42-E192 IonicContact NZ-OE2 2.68Å; K42-E192 PolarHBondContact NZ-OE2 3.5Å; L188-E192 WeakPolarHBondContact O-CG 3.23Å; L188-E192 PolarHBondContact O-N 2.86Å
193	T	86.4	Confident	89.9	Confident	44 Å²	44	50.5 Å²	50.5	27%	0.27	27%	0.267	S	S	.	.	H	α-helix	trans	-87.5	-44.8	-177.8	-52.7	0	0	0	0	111.8	N40 F41 E189 D190 I191	N40-T193 CarbonylContact C-O 3.58Å; N40-T193 VanDerWaalsContact CA-O 3.3Å; N40-T193 WeakPolarHBondContact CA-O 3.48Å; F41-T193 PolarHBondContact N-O 3.02Å; E189-T193 PolarHBondContact O-N 2.78Å; E189-T193 PolarHBondContact O-OG1 3.36Å; D190-T193 PolarHBondContact O-N 2.76Å; I191-T193 PolarHBondContact O-N 3.35Å
194	G	87.9	Confident	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-100.9	-13.9	-166.4	0	0	0	0	0	115.4	F41 F104 D190 I191	F41-G194 VanDerWaalsContact CD2-O 3.28Å; F41-G194 WeakPolarHBondContact CD2-O 3.35Å; F41-G194 WeakPolarHBondContact CE2-O 3.39Å; F104-G194 VanDerWaalsContact CE2-CA 3.44Å; D190-G194 WeakPolarHBondContact O-CA 3.02Å; D190-G194 PolarHBondContact O-N 2.93Å; I191-G194 PolarHBondContact O-N 2.65Å
195	C	90.6	Very high	90.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.02	27%	0.274	C	S	.	.	S	Bend	trans	-114.3	151.8	-178.9	-64.9	0	0	0	0	113.4	F41 W168 C169 I191	F41-C195 VanDerWaalsContact CB-O 3.23Å; F41-C195 WeakPolarHBondContact CB-O 3.07Å; F41-C195 WeakPolarHBondContact CG-O 3.05Å; W168-C195 VanDerWaalsContact CE3-SG 3.6Å; W168-C195 WeakPolarHBondContact CZ3-SG 3.03Å; C169-C195 WeakPolarHBondContact CA-SG 3.34Å; C169-C195 HydrophobicContact CB-CB 3.93Å; C169-C195 WeakPolarHBondContact CB-SG 3.41Å; C169-C195 WeakPolarHBondContact SG-CA 3.28Å; C169-C195 WeakPolarHBondContact SG-CB 3.02Å; C169-C195 CovalentContact SG-SG 2.03Å; C169-C195 PolarHBondContact SG-SG 3.37Å; I191-C195 HydrophobicContact CG2-CB 4.03Å; I191-C195 WeakPolarHBondContact O-CA 3.24Å; I191-C195 VanDerWaalsContact O-CB 3.24Å; I191-C195 WeakPolarHBondContact O-CB 3.49Å; I191-C195 PolarHBondContact O-N 3.1Å
196	P	89.8	Confident	89.9	Confident	3 Å²	3	50 Å²	50	2%	0.019	28%	0.278	C	S	.	.			trans	-66.6	156.2	173.9	32.4	-38.8	0	0	0	111.3	F41 Y59 F63 P198	F41-P196 HydrophobicContact CD1-CB 4.12Å; F41-P196 HydrophobicContact CE1-CB 3.92Å; F41-P196 HydrophobicContact CZ-CB 4.19Å; Y59-P196 WeakPolarHBondContact O-CB 3.38Å; F63-P196 HydrophobicContact CD2-CG 3.92Å; F63-P196 HydrophobicContact CE1-CG 4.48Å; F63-P196 HydrophobicContact CE2-CG 3.58Å; F63-P196 HydrophobicContact CG-CG 4.5Å; F63-P196 HydrophobicContact CZ-CG 3.89Å; P196-P198 WeakPolarHBondContact O-CD 3.38Å
197	N	91.4	Very high	89.8	Confident	71 Å²	71	47.6 Å²	47.6	38%	0.38	27%	0.266	S	S	.	.			trans	-111.9	103.9	-175.9	-176.9	-7.9	0	0	0	110.8	S60 R61 C199 F200 V217	S60-N197 PolarHBondContact O-N 2.86Å; R61-N197 WeakPolarHBondContact CA-O 3.36Å; N197-C199 PolarHBondContact O-N 3.02Å; N197-C199 WeakPolarHBondContact OD1-CA 3.47Å; N197-C199 VanDerWaalsContact OD1-CB 3.24Å; N197-C199 WeakPolarHBondContact OD1-CB 3.03Å; N197-C199 PolarHBondContact OD1-N 3.36Å; N197-F200 HydrophobicContact CB-CB 4.32Å; N197-F200 WeakPolarHBondContact O-CB 3.35Å; N197-F200 PolarHBondContact O-N 3.42Å; N197-V217 WeakPolarHBondContact OD1-CG2 3.38Å
198	P	92.2	Very high	89.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-25.5	172	-31	38.4	0	0	0	116.1	R61 P196 P203 V217 G219 F221 Y225	R61-P198 WeakPolarHBondContact O-CA 3.15Å; P196-P198 WeakPolarHBondContact O-CD 3.38Å; P198-P203 WeakPolarHBondContact O-CG 3.4Å; P198-V217 HydrophobicContact CG-CG1 4Å; P198-G219 WeakPolarHBondContact CG-O 3.38Å; P198-F221 VanDerWaalsContact CG-O 3.28Å; P198-F221 WeakPolarHBondContact CG-O 3.44Å; P198-Y225 HydrophobicContact CB-CD1 4.31Å
199	C	92.4	Very high	89.5	Confident	19 Å²	19	52.4 Å²	52.4	13%	0.128	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.6	177	-64.3	0	0	0	0	114	N197 G201 N202 C215 V217	N197-C199 PolarHBondContact O-N 3.02Å; N197-C199 WeakPolarHBondContact OD1-CA 3.47Å; N197-C199 VanDerWaalsContact OD1-CB 3.24Å; N197-C199 WeakPolarHBondContact OD1-CB 3.03Å; N197-C199 PolarHBondContact OD1-N 3.36Å; C199-G201 PolarHBondContact O-N 2.84Å; C199-N202 WeakPolarHBondContact O-CA 3.47Å; C199-N202 PolarHBondContact O-N 3.41Å; C199-C215 WeakPolarHBondContact CA-SG 3.42Å; C199-C215 HydrophobicContact CB-CB 3.6Å; C199-C215 WeakPolarHBondContact CB-SG 3.39Å; C199-C215 WeakPolarHBondContact SG-CB 3.43Å; C199-C215 CovalentContact SG-SG 2.03Å; C199-C215 PolarHBondContact SG-SG 3.48Å; C199-V217 HydrophobicContact CB-CG2 4.22Å
200	F	89	Confident	89.6	Confident	84 Å²	84	47.2 Å²	47.2	37%	0.368	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	133.9	174.8	-169.9	-100.6	0	0	0	110.8	S44 N197 N202	S44-F200 WeakPolarHBondContact OG-CE2 3.2Å; N197-F200 HydrophobicContact CB-CB 4.32Å; N197-F200 WeakPolarHBondContact O-CB 3.35Å; N197-F200 PolarHBondContact O-N 3.42Å; F200-N202 PolarHBondContact O-N 3.34Å
201	G	85.9	Confident	89.6	Confident	72 Å²	72	50.5 Å²	50.5	74%	0.742	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	0.5	-172.1	0	0	0	0	0	115.4	C199	C199-G201 PolarHBondContact O-N 2.84Å
202	N	89.2	Confident	89.6	Confident	57 Å²	57	55.9 Å²	55.9	31%	0.305	31%	0.307	S	S	.	.			trans	53.9	76.8	-179.5	-166.7	-12.2	0	0	0	114	C199 F200 C204 K205 H213	C199-N202 WeakPolarHBondContact O-CA 3.47Å; C199-N202 PolarHBondContact O-N 3.41Å; F200-N202 PolarHBondContact O-N 3.34Å; N202-C204 PolarHBondContact O-N 2.85Å; N202-C204 VanDerWaalsContact O-N 3.16Å; N202-C204 WeakPolarHBondContact OD1-CB 3.03Å; N202-C204 PolarHBondContact OD1-N 3.44Å; N202-K205 HydrophobicContact CB-CB 4.41Å; N202-K205 VanDerWaalsContact O-CB 3.29Å; N202-K205 WeakPolarHBondContact O-CB 3.1Å; N202-K205 PolarHBondContact O-N 3.1Å; N202-K205 VanDerWaalsContact O-N 3.11Å; N202-K205 PolarHBondContact OD1-N 2.87Å; N202-H213 PolarHBondContact ND2-O 3.48Å; N202-H213 PolarHBondContact OD1-O 3.03Å
203	P	90	Very high	89.6	Confident	13 Å²	13	54.6 Å²	54.6	8%	0.084	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-62.8	-21.1	176.5	28.4	-36.6	0	0	0	113.3	P198 K205 T207 Y225	P198-P203 WeakPolarHBondContact O-CG 3.4Å; P203-K205 PolarHBondContact O-N 3.45Å; P203-T207 PolarHBondContact O-OG1 2.98Å; P203-Y225 HydrophobicContact CB-CD2 4.4Å; P203-Y225 HydrophobicContact CB-CE1 4.1Å; P203-Y225 HydrophobicContact CB-CE2 3.79Å; P203-Y225 HydrophobicContact CG-CD1 4.13Å; P203-Y225 HydrophobicContact CG-CD2 3.76Å; P203-Y225 HydrophobicContact CG-CE1 4.06Å; P203-Y225 HydrophobicContact CG-CE2 3.65Å; P203-Y225 HydrophobicContact CG-CG 4Å
204	C	93	Very high	89.9	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-75.9	-7	178	-59.9	0	0	0	0	113.5	N202 V210 H213 C215 C227	N202-C204 PolarHBondContact O-N 2.85Å; N202-C204 VanDerWaalsContact O-N 3.16Å; N202-C204 WeakPolarHBondContact OD1-CB 3.03Å; N202-C204 PolarHBondContact OD1-N 3.44Å; C204-V210 HydrophobicContact CB-CG1 4.12Å; C204-H213 PolarHBondContact O-ND1 3.22Å; C204-C215 HydrophobicContact CB-CB 4.31Å; C204-C215 WeakPolarHBondContact SG-CB 3.35Å; C204-C227 WeakPolarHBondContact CA-SG 3.39Å; C204-C227 HydrophobicContact CB-CB 3.87Å; C204-C227 WeakPolarHBondContact CB-SG 3.03Å; C204-C227 WeakPolarHBondContact SG-CA 3.48Å; C204-C227 WeakPolarHBondContact SG-CB 3.2Å; C204-C227 CovalentContact SG-SG 2.03Å; C204-C227 PolarHBondContact SG-SG 3.45Å
205	K	90.6	Very high	90.2	Very high	151 Å²	151	57.4 Å²	57.4	66%	0.657	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-66.3	-44.3	-178.8	-170.7	176.5	-179.6	179.9	0	113.1	N202 P203 H213	N202-K205 HydrophobicContact CB-CB 4.41Å; N202-K205 VanDerWaalsContact O-CB 3.29Å; N202-K205 WeakPolarHBondContact O-CB 3.1Å; N202-K205 PolarHBondContact O-N 3.1Å; N202-K205 VanDerWaalsContact O-N 3.11Å; N202-K205 PolarHBondContact OD1-N 2.87Å; P203-K205 PolarHBondContact O-N 3.45Å; K205-H213 WeakPolarHBondContact CA-ND1 3.41Å; K205-H213 PolarHBondContact O-CE1 2.92Å; K205-H213 PolarHBondContact O-ND1 3.17Å
206	S	86.2	Confident	90.3	Very high	116 Å²	116	61.9 Å²	61.9	81%	0.811	34%	0.336	S	S	*	.	S	Bend	trans	-96.3	1	-178.3	56.9	0	0	0	0	113.9
207	T	88.8	Confident	90.4	Very high	21 Å²	21	63.6 Å²	63.6	13%	0.129	35%	0.346	C	S	.	.			trans	-84.5	127	-174.3	-58.2	0	0	0	0	110.8	P203 V210 W235 R240 I241	P203-T207 PolarHBondContact O-OG1 2.98Å; T207-V210 HydrophobicContact CG2-CG2 3.76Å; T207-V210 WeakPolarHBondContact O-CG2 3.42Å; T207-W235 HydrophobicContact CG2-CZ3 4.1Å; T207-R240 WeakPolarHBondContact CG2-O 3.42Å; T207-I241 HydrophobicContact CG2-CG2 4.43Å
208	Q	87.2	Confident	90.5	Very high	172 Å²	172	62.9 Å²	62.9	80%	0.804	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	145.7	179.9	-169.8	174.4	1.1	0	0	111.3	V210	Q208-V210 VanDerWaalsContact C-N 3.27Å; Q208-V210 PolarHBondContact O-N 3.41Å
209	G	88.2	Confident	90.5	Very high	7 Å²	7	62.9 Å²	62.9	7%	0.072	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	5.5	177.1	0	0	0	0	0	115	C229 K230 M233	G209-C229 CarbonylContact O-C 3.59Å; G209-C229 WeakPolarHBondContact O-CA 3.26Å; G209-K230 WeakPolarHBondContact O-CB 3.48Å; G209-K230 WeakPolarHBondContact O-CG 3.49Å; G209-K230 PolarHBondContact O-N 3.11Å; G209-M233 VanDerWaalsContact CA-SD 3.51Å
210	V	92.6	Very high	90.3	Very high	10 Å²	10	62 Å²	62	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.9	177.1	175.7	0	0	0	0	111.7	C204 T207 Q208 C227 H228	C204-V210 HydrophobicContact CB-CG1 4.12Å; T207-V210 HydrophobicContact CG2-CG2 3.76Å; T207-V210 WeakPolarHBondContact O-CG2 3.42Å; Q208-V210 VanDerWaalsContact C-N 3.27Å; Q208-V210 PolarHBondContact O-N 3.41Å; V210-C227 HydrophobicContact CG1-CB 4.06Å; V210-C227 HydrophobicContact CG2-CB 3.58Å; V210-H228 CarbonylContact C-O 3.53Å; V210-H228 WeakPolarHBondContact CA-O 3.49Å; V210-H228 WeakPolarHBondContact CG1-O 3.37Å
211	K	90.6	Very high	90.4	Very high	93 Å²	93	59.4 Å²	59.4	40%	0.404	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.9	173.3	-175	173.7	-177.5	172.6	0	109.9	H213 I214 H228 C229 K230	K211-H213 PolarHBondContact O-N 2.83Å; K211-I214 PolarHBondContact O-N 3.44Å; K211-H228 PolarHBondContact N-O 3.3Å; K211-C229 WeakPolarHBondContact CB-O 3.15Å; K211-K230 HydrophobicContact CB-CG 4.36Å
212	N	90.6	Very high	90.6	Very high	124 Å²	124	59.5 Å²	59.5	66%	0.663	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56	13.5	174.6	-58	-11.8	0	0	0	115.9	I214	N212-I214 HydrophobicContact CB-CD1 3.97Å; N212-I214 HydrophobicContact CB-CG1 3.95Å; N212-I214 PolarHBondContact O-N 3.46Å; N212-I214 VanDerWaalsContact O-N 3.13Å
213	H	90.2	Very high	90.6	Very high	86 Å²	86	58 Å²	58	40%	0.398	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.3	30.7	-178	-48.7	-65.6	0	0	0	114.3	N202 C204 K205 K211 C215	N202-H213 PolarHBondContact ND2-O 3.48Å; N202-H213 PolarHBondContact OD1-O 3.03Å; C204-H213 PolarHBondContact O-ND1 3.22Å; K205-H213 WeakPolarHBondContact CA-ND1 3.41Å; K205-H213 PolarHBondContact O-CE1 2.92Å; K205-H213 PolarHBondContact O-ND1 3.17Å; K211-H213 PolarHBondContact O-N 2.83Å; H213-C215 PolarHBondContact O-N 3.13Å
214	I	92.1	Very high	90.6	Very high	73 Å²	73	58.5 Å²	58.5	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.1	179	-60.5	168.4	0	0	0	108.7	K211 N212 C227 H228	K211-I214 PolarHBondContact O-N 3.44Å; N212-I214 HydrophobicContact CB-CD1 3.97Å; N212-I214 HydrophobicContact CB-CG1 3.95Å; N212-I214 PolarHBondContact O-N 3.46Å; N212-I214 VanDerWaalsContact O-N 3.13Å; I214-C227 WeakPolarHBondContact O-CA 3.45Å; I214-H228 HydrophobicContact CB-CB 4.06Å; I214-H228 PolarHBondContact O-N 2.89Å
215	C	92.9	Very high	90.6	Very high	31 Å²	31	59.1 Å²	59.1	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.7	178.1	-173.6	0	0	0	0	110	C199 C204 H213	C199-C215 WeakPolarHBondContact CA-SG 3.42Å; C199-C215 HydrophobicContact CB-CB 3.6Å; C199-C215 WeakPolarHBondContact CB-SG 3.39Å; C199-C215 WeakPolarHBondContact SG-CB 3.43Å; C199-C215 CovalentContact SG-SG 2.03Å; C199-C215 PolarHBondContact SG-SG 3.48Å; C204-C215 HydrophobicContact CB-CB 4.31Å; C204-C215 WeakPolarHBondContact SG-CB 3.35Å; H213-C215 PolarHBondContact O-N 3.13Å
216	Q	93.4	Very high	90.8	Very high	96 Å²	96	56.4 Å²	56.4	45%	0.449	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.7	174.4	-176.5	-179.1	17.7	0	0	109.1	Y225 K226	Q216-Y225 CarbonylContact O-C 3.43Å; Q216-Y225 VanDerWaalsContact O-CA 3.31Å; Q216-Y225 WeakPolarHBondContact O-CA 3.33Å; Q216-K226 HydrophobicContact CB-CB 4.46Å; Q216-K226 PolarHBondContact N-O 3.31Å; Q216-K226 PolarHBondContact O-N 2.93Å
217	V	92.4	Very high	91.3	Very high	39 Å²	39	50.9 Å²	50.9	24%	0.236	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.7	173.7	-178	0	0	0	0	109.4	W173 N197 P198 C199 G219	W173-V217 HydrophobicContact CH2-CB 4.38Å; W173-V217 HydrophobicContact CH2-CG1 3.96Å; W173-V217 HydrophobicContact CZ2-CB 4.25Å; W173-V217 HydrophobicContact CZ2-CG1 3.45Å; W173-V217 VanDerWaalsContact CZ2-CG1 3.45Å; N197-V217 WeakPolarHBondContact OD1-CG2 3.38Å; P198-V217 HydrophobicContact CG-CG1 4Å; C199-V217 HydrophobicContact CB-CG2 4.22Å; V217-G219 VanDerWaalsContact CG1-O 3.28Å; V217-G219 WeakPolarHBondContact CG1-O 3.38Å
218	T	92.2	Very high	91.5	Very high	56 Å²	56	53.8 Å²	53.8	34%	0.344	27%	0.266	S	S	.	.			trans	-124.6	2.6	179.5	60.2	0	0	0	0	113.2	E224 Y225 K226	T218-E224 PolarHBondContact N-O 3.01Å; T218-E224 PolarHBondContact OG1-O 2.81Å; T218-Y225 PolarHBondContact OG1-N 2.81Å; T218-K226 HydrophobicContact CG2-CB 3.81Å
219	G	92.2	Very high	91.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	176.3	-168.2	-176.1	0	0	0	0	0	113.2	W173 P198 V217 E224	W173-G219 PolarHBondContact NE1-O 2.03Å; P198-G219 WeakPolarHBondContact CG-O 3.38Å; V217-G219 VanDerWaalsContact CG1-O 3.28Å; V217-G219 WeakPolarHBondContact CG1-O 3.38Å; G219-E224 VanDerWaalsContact C-OE2 3.26Å; G219-E224 WeakPolarHBondContact CA-OE2 3.44Å; G219-E224 PolarHBondContact N-O 3.04Å
220	A	90	Very high	92	Very high	1 Å²	1	52 Å²	52	1%	0.008	26%	0.256	C	S	.	.	S	Bend	trans	-99.1	-15.3	-174.4	0	0	0	0	0	113.7	G62 F63 C169 T170 E224	G62-A220 VanDerWaalsContact CA-O 3.29Å; G62-A220 WeakPolarHBondContact CA-O 3.48Å; F63-A220 HydrophobicContact CD2-CB 3.93Å; F63-A220 WeakPolarHBondContact CD2-O 3.2Å; F63-A220 HydrophobicContact CE2-CB 4.11Å; F63-A220 PolarHBondContact N-O 2.03Å; C169-A220 HydrophobicContact CB-CB 3.89Å; T170-A220 HydrophobicContact CG2-CB 4.41Å; A220-E224 PolarHBondContact N-OE2 3.49Å
221	F	90.6	Very high	91.7	Very high	29 Å²	29	57.4 Å²	57.4	13%	0.127	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-89.7	155.5	-176.4	-64.9	-84.7	0	0	0	112.4	F63 R65 Y166 T170 P198 N223 E224	F63-F221 HydrophobicContact CB-CD1 3.84Å; F63-F221 HydrophobicContact CB-CE1 4.09Å; F63-F221 WeakPolarHBondContact O-CA 3.33Å; F63-F221 WeakPolarHBondContact O-CD1 3.41Å; R65-F221 HydrophobicContact CG-CB 4.16Å; R65-F221 HydrophobicContact CG-CD1 3.56Å; R65-F221 HydrophobicContact CG-CE1 4.18Å; R65-F221 HydrophobicContact CG-CG 3.98Å; Y166-F221 HydrophobicContact CE2-CE1 4.08Å; Y166-F221 HydrophobicContact CE2-CZ 4.29Å; T170-F221 HydrophobicContact CG2-CE2 3.82Å; T170-F221 HydrophobicContact CG2-CZ 3.73Å; P198-F221 VanDerWaalsContact CG-O 3.28Å; P198-F221 WeakPolarHBondContact CG-O 3.44Å; F221-N223 WeakPolarHBondContact CB-OD1 3.43Å; F221-N223 PolarHBondContact O-N 2.98Å; F221-E224 HydrophobicContact CB-CG 3.97Å; F221-E224 WeakPolarHBondContact CD2-OE1 3.47Å; F221-E224 VanDerWaalsContact CD2-OE2 3.25Å; F221-E224 WeakPolarHBondContact CD2-OE2 3.35Å; F221-E224 PolarHBondContact N-OE2 3.22Å; F221-E224 WeakPolarHBondContact O-CB 3.5Å; F221-E224 PolarHBondContact O-N 3.42Å
222	E	89.2	Confident	91.3	Very high	73 Å²	73	56.2 Å²	56.2	34%	0.341	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.2	-175.7	68.9	-176.7	163.1	0	0	115.8	R61 F63	R61-E222 VanDerWaalsContact O-CA 3.31Å; R61-E222 WeakPolarHBondContact O-CA 2.97Å; F63-E222 PolarHBondContact O-N 3.21Å
223	N	89	Confident	91.3	Very high	26 Å²	26	53.4 Å²	53.4	14%	0.139	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.8	-179.2	66.4	-36.8	0	0	0	113.4	R65 F221 Y225	R65-N223 WeakPolarHBondContact CD-OD1 3.48Å; R65-N223 PolarHBondContact NE-OD1 3.33Å; F221-N223 WeakPolarHBondContact CB-OD1 3.43Å; F221-N223 PolarHBondContact O-N 2.98Å; N223-Y225 VanDerWaalsContact C-N 3.31Å; N223-Y225 PolarHBondContact O-N 3.46Å
224	E	91.2	Very high	91.3	Very high	23 Å²	23	54.1 Å²	54.1	11%	0.107	27%	0.266	C	S	.	.			trans	-93.8	62.1	-178.5	-70.6	178.8	162.4	0	0	111.8	R65 T218 G219 A220 F221	R65-E224 IonicContact CZ-OE1 3.68Å; R65-E224 IonicContact NH2-OE1 2.79Å; R65-E224 PolarHBondContact NH2-OE1 3.4Å; T218-E224 PolarHBondContact N-O 3.01Å; T218-E224 PolarHBondContact OG1-O 2.81Å; G219-E224 VanDerWaalsContact C-OE2 3.26Å; G219-E224 WeakPolarHBondContact CA-OE2 3.44Å; G219-E224 PolarHBondContact N-O 3.04Å; A220-E224 PolarHBondContact N-OE2 3.49Å; F221-E224 HydrophobicContact CB-CG 3.97Å; F221-E224 WeakPolarHBondContact CD2-OE1 3.47Å; F221-E224 VanDerWaalsContact CD2-OE2 3.25Å; F221-E224 WeakPolarHBondContact CD2-OE2 3.35Å; F221-E224 PolarHBondContact N-OE2 3.22Å; F221-E224 WeakPolarHBondContact O-CB 3.5Å; F221-E224 PolarHBondContact O-N 3.42Å
225	Y	93.3	Very high	91.4	Very high	14 Å²	14	52 Å²	52	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161	169.5	64.4	-84.2	0	0	0	110.6	P198 P203 Q216 T218 N223 W235	P198-Y225 HydrophobicContact CB-CD1 4.31Å; P203-Y225 HydrophobicContact CB-CD2 4.4Å; P203-Y225 HydrophobicContact CB-CE1 4.1Å; P203-Y225 HydrophobicContact CB-CE2 3.79Å; P203-Y225 HydrophobicContact CG-CD1 4.13Å; P203-Y225 HydrophobicContact CG-CD2 3.76Å; P203-Y225 HydrophobicContact CG-CE1 4.06Å; P203-Y225 HydrophobicContact CG-CE2 3.65Å; P203-Y225 HydrophobicContact CG-CG 4Å; Q216-Y225 CarbonylContact O-C 3.43Å; Q216-Y225 VanDerWaalsContact O-CA 3.31Å; Q216-Y225 WeakPolarHBondContact O-CA 3.33Å; T218-Y225 PolarHBondContact OG1-N 2.81Å; N223-Y225 VanDerWaalsContact C-N 3.31Å; N223-Y225 PolarHBondContact O-N 3.46Å; Y225-W235 HydrophobicContact CD2-CH2 4.32Å; Y225-W235 HydrophobicContact CD2-CZ2 4.14Å; Y225-W235 AromaticContact CE2-CH2 3.72Å; Y225-W235 HydrophobicContact CE2-CH2 3.72Å; Y225-W235 AromaticContact CE2-CZ2 3.86Å; Y225-W235 HydrophobicContact CE2-CZ2 3.86Å; Y225-W235 WeakPolarHBondContact O-CZ2 3.38Å; Y225-W235 PolarHBondContact O-NE1 2.82Å
226	K	94.8	Very high	91.4	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.4	174.7	177.5	176.5	-179.1	-176.1	0	109.1	Q216 T218 W235	Q216-K226 HydrophobicContact CB-CB 4.46Å; Q216-K226 PolarHBondContact N-O 3.31Å; Q216-K226 PolarHBondContact O-N 2.93Å; T218-K226 HydrophobicContact CG2-CB 3.81Å; K226-W235 HydrophobicContact CG-CB 4.24Å; K226-W235 HydrophobicContact CG-CG 3.9Å
227	C	95.1	Very high	91.3	Very high	1 Å²	1	54 Å²	54	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.4	170.7	-57	0	0	0	0	110.5	C204 V210 I214 C229 W235	C204-C227 WeakPolarHBondContact CA-SG 3.39Å; C204-C227 HydrophobicContact CB-CB 3.87Å; C204-C227 WeakPolarHBondContact CB-SG 3.03Å; C204-C227 WeakPolarHBondContact SG-CA 3.48Å; C204-C227 WeakPolarHBondContact SG-CB 3.2Å; C204-C227 CovalentContact SG-SG 2.03Å; C204-C227 PolarHBondContact SG-SG 3.45Å; V210-C227 HydrophobicContact CG1-CB 4.06Å; V210-C227 HydrophobicContact CG2-CB 3.58Å; I214-C227 WeakPolarHBondContact O-CA 3.45Å; C227-C229 PolarHBondContact O-N 3.21Å; C227-W235 HydrophobicContact CB-CE3 3.88Å; C227-W235 HydrophobicContact CB-CH2 4.1Å; C227-W235 HydrophobicContact CB-CZ3 3.6Å; C227-W235 VanDerWaalsContact SG-CH2 3.58Å
228	H	94.6	Very high	91.1	Very high	81 Å²	81	58.7 Å²	58.7	38%	0.375	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.3	169.7	-75.7	-153	0	0	0	109.4	V210 K211 I214	V210-H228 CarbonylContact C-O 3.53Å; V210-H228 WeakPolarHBondContact CA-O 3.49Å; V210-H228 WeakPolarHBondContact CG1-O 3.37Å; K211-H228 PolarHBondContact N-O 3.3Å; I214-H228 HydrophobicContact CB-CB 4.06Å; I214-H228 PolarHBondContact O-N 2.89Å
229	C	93.5	Very high	91	Very high	25 Å²	25	61.1 Å²	61.1	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	159.6	179.2	-61.7	0	0	0	0	112.6	G209 K211 C227 M233 W235 C242	G209-C229 CarbonylContact O-C 3.59Å; G209-C229 WeakPolarHBondContact O-CA 3.26Å; K211-C229 WeakPolarHBondContact CB-O 3.15Å; C227-C229 PolarHBondContact O-N 3.21Å; C229-M233 HydrophobicContact CB-CB 3.87Å; C229-M233 WeakPolarHBondContact CB-O 3.31Å; C229-W235 PolarHBondContact SG-N 2.99Å; C229-W235 VanDerWaalsContact SG-N 3.41Å; C229-C242 WeakPolarHBondContact CA-SG 3.46Å; C229-C242 HydrophobicContact CB-CB 3.74Å; C229-C242 WeakPolarHBondContact CB-SG 3.43Å; C229-C242 WeakPolarHBondContact SG-CB 3.49Å; C229-C242 CovalentContact SG-SG 2.04Å; C229-C242 PolarHBondContact SG-SG 3.22Å
230	K	91.4	Very high	91	Very high	116 Å²	116	65.9 Å²	65.9	50%	0.504	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-61.7	166.8	167	-72.2	-179.9	-178	-175.5	0	110.4	G209 K211 M233	G209-K230 WeakPolarHBondContact O-CB 3.48Å; G209-K230 WeakPolarHBondContact O-CG 3.49Å; G209-K230 PolarHBondContact O-N 3.11Å; K211-K230 HydrophobicContact CB-CG 4.36Å; K230-M233 HydrophobicContact CB-SD 4.18Å; K230-M233 PolarHBondContact O-N 2.84Å
231	E	85.7	Confident	91.1	Very high	124 Å²	124	69 Å²	69	58%	0.579	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	143.7	173.4	-65.1	-177.1	-167.9	0	0	110.1	M233 R252	E231-M233 PolarHBondContact O-N 3.47Å; E231-R252 IonicContact OE2-CZ 2.68Å; E231-R252 IonicContact OE2-NH1 2.72Å; E231-R252 PolarHBondContact OE2-NH1 2.8Å
232	E	83.6	Confident	91.2	Very high	68 Å²	68	68.2 Å²	68.2	32%	0.318	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	25.3	-176.7	-51.6	-170.6	163.4	0	0	115	I245 R250	E232-I245 VanDerWaalsContact C-CG1 3.45Å; E232-I245 WeakPolarHBondContact O-CG1 3.48Å; E232-I245 PolarHBondContact O-N 3.31Å; E232-R250 IonicContact OE2-CZ 3.66Å; E232-R250 IonicContact OE2-NE 3.5Å; E232-R250 IonicContact OE2-NH1 3.12Å; E232-R250 PolarHBondContact OE2-NH1 3.45Å
233	M	90.1	Very high	91.3	Very high	65 Å²	65	67.9 Å²	67.9	32%	0.32	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144	171.1	-62.7	-175.4	174.3	0	0	111.8	G209 C229 K230 E231 C242 L243	G209-M233 VanDerWaalsContact CA-SD 3.51Å; C229-M233 HydrophobicContact CB-CB 3.87Å; C229-M233 WeakPolarHBondContact CB-O 3.31Å; K230-M233 HydrophobicContact CB-SD 4.18Å; K230-M233 PolarHBondContact O-N 2.84Å; E231-M233 PolarHBondContact O-N 3.47Å; M233-C242 HydrophobicContact CB-CB 4.15Å; M233-C242 HydrophobicContact SD-CB 4.33Å; M233-L243 CarbonylContact C-O 3.47Å; M233-L243 WeakPolarHBondContact CA-O 3.18Å; M233-L243 WeakPolarHBondContact CB-O 3.41Å
234	I	91	Very high	91.2	Very high	101 Å²	101	69.4 Å²	69.4	52%	0.518	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.6	176.9	-73.7	164.2	0	0	0	109.7	D236 C242 L243 I245	I234-D236 PolarHBondContact O-N 2.99Å; I234-C242 CarbonylContact O-C 3.54Å; I234-C242 WeakPolarHBondContact O-CA 2.98Å; I234-L243 PolarHBondContact N-O 3.31Å; I234-L243 PolarHBondContact O-N 3.21Å; I234-I245 HydrophobicContact CB-CG1 4.44Å; I234-I245 HydrophobicContact CD1-CD1 3.99Å; I234-I245 HydrophobicContact CD1-CG1 3.63Å; I234-I245 HydrophobicContact CD1-CG2 4.41Å; I234-I245 HydrophobicContact CG1-CD1 3.88Å; I234-I245 HydrophobicContact CG1-CG1 3.62Å
235	W	93.6	Very high	91	Very high	30 Å²	30	70 Å²	70	11%	0.114	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.8	174.7	178.5	-107.6	0	0	0	111.2	T207 Y225 K226 C227 C229 R240	T207-W235 HydrophobicContact CG2-CZ3 4.1Å; Y225-W235 HydrophobicContact CD2-CH2 4.32Å; Y225-W235 HydrophobicContact CD2-CZ2 4.14Å; Y225-W235 AromaticContact CE2-CH2 3.72Å; Y225-W235 HydrophobicContact CE2-CH2 3.72Å; Y225-W235 AromaticContact CE2-CZ2 3.86Å; Y225-W235 HydrophobicContact CE2-CZ2 3.86Å; Y225-W235 WeakPolarHBondContact O-CZ2 3.38Å; Y225-W235 PolarHBondContact O-NE1 2.82Å; K226-W235 HydrophobicContact CG-CB 4.24Å; K226-W235 HydrophobicContact CG-CG 3.9Å; C227-W235 HydrophobicContact CB-CE3 3.88Å; C227-W235 HydrophobicContact CB-CH2 4.1Å; C227-W235 HydrophobicContact CB-CZ3 3.6Å; C227-W235 VanDerWaalsContact SG-CH2 3.58Å; C229-W235 PolarHBondContact SG-N 2.99Å; C229-W235 VanDerWaalsContact SG-N 3.41Å; W235-R240 VanDerWaalsContact CH2-CA 3.43Å; W235-R240 HydrophobicContact CH2-CB 3.84Å; W235-R240 WeakPolarHBondContact CH2-O 3.05Å; W235-R240 HydrophobicContact CZ2-CB 3.92Å; W235-R240 HydrophobicContact CZ2-CG 4.35Å; W235-R240 VanDerWaalsContact CZ3-C 3.43Å; W235-R240 WeakPolarHBondContact CZ3-O 3.48Å
236	D	92.9	Very high	90.6	Very high	42 Å²	42	72.4 Å²	72.4	23%	0.225	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.8	167.9	-172	-43	0	0	0	109.8	I234 N238 L239 R240 I241 L243	I234-D236 PolarHBondContact O-N 2.99Å; D236-N238 VanDerWaalsContact C-N 3.32Å; D236-N238 PolarHBondContact O-N 2.96Å; D236-N238 WeakPolarHBondContact OD1-CA 3.43Å; D236-N238 WeakPolarHBondContact OD1-CB 3.05Å; D236-N238 PolarHBondContact OD1-N 2.7Å; D236-L239 HydrophobicContact CB-CB 4.2Å; D236-L239 PolarHBondContact OD1-N 2.9Å; D236-R240 VanDerWaalsContact O-CA 3.26Å; D236-R240 WeakPolarHBondContact O-CA 3.45Å; D236-R240 PolarHBondContact O-N 2.74Å; D236-I241 PolarHBondContact N-O 2.66Å; D236-L243 HydrophobicContact CB-CD1 3.92Å; D236-L243 HydrophobicContact CB-CG 4.24Å
237	K	90.1	Very high	90.2	Very high	125 Å²	125	68.1 Å²	68.1	54%	0.543	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.9	-179.5	-176.6	178.7	179.2	177	0	113.1
238	N	89	Confident	89.9	Confident	138 Å²	138	69.8 Å²	69.8	74%	0.738	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-47.6	-175.5	-63.6	-35.9	0	0	0	110.6	D236	D236-N238 VanDerWaalsContact C-N 3.32Å; D236-N238 PolarHBondContact O-N 2.96Å; D236-N238 WeakPolarHBondContact OD1-CA 3.43Å; D236-N238 WeakPolarHBondContact OD1-CB 3.05Å; D236-N238 PolarHBondContact OD1-N 2.7Å
239	L	90.7	Very high	89.5	Confident	108 Å²	108	71.2 Å²	71.2	57%	0.565	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-19	-179	-61.3	179.9	0	0	0	113.4	D236 I241	D236-L239 HydrophobicContact CB-CB 4.2Å; D236-L239 PolarHBondContact OD1-N 2.9Å; L239-I241 VanDerWaalsContact C-N 3.29Å; L239-I241 HydrophobicContact CB-CD1 4.16Å; L239-I241 HydrophobicContact CB-CG1 3.8Å; L239-I241 HydrophobicContact CD1-CD1 4.26Å; L239-I241 PolarHBondContact O-N 2.85Å
240	R	91.3	Very high	89.1	Confident	101 Å²	101	72.8 Å²	72.8	38%	0.381	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	40.6	-179.9	-54.9	162.2	-137.5	162.5	0.4	112.4	T207 W235 D236	T207-R240 WeakPolarHBondContact CG2-O 3.42Å; W235-R240 VanDerWaalsContact CH2-CA 3.43Å; W235-R240 HydrophobicContact CH2-CB 3.84Å; W235-R240 WeakPolarHBondContact CH2-O 3.05Å; W235-R240 HydrophobicContact CZ2-CB 3.92Å; W235-R240 HydrophobicContact CZ2-CG 4.35Å; W235-R240 VanDerWaalsContact CZ3-C 3.43Å; W235-R240 WeakPolarHBondContact CZ3-O 3.48Å; D236-R240 VanDerWaalsContact O-CA 3.26Å; D236-R240 WeakPolarHBondContact O-CA 3.45Å; D236-R240 PolarHBondContact O-N 2.74Å
241	I	92.6	Very high	88.5	Confident	67 Å²	67	77 Å²	77	34%	0.344	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160	176.3	60.4	175.8	0	0	0	109.8	T207 D236 L239 L243	T207-I241 HydrophobicContact CG2-CG2 4.43Å; D236-I241 PolarHBondContact N-O 2.66Å; L239-I241 VanDerWaalsContact C-N 3.29Å; L239-I241 HydrophobicContact CB-CD1 4.16Å; L239-I241 HydrophobicContact CB-CG1 3.8Å; L239-I241 HydrophobicContact CD1-CD1 4.26Å; L239-I241 PolarHBondContact O-N 2.85Å; I241-L243 HydrophobicContact CD1-CD2 3.61Å; I241-L243 HydrophobicContact CD1-CG 4.37Å; I241-L243 HydrophobicContact CG1-CD2 4.03Å; I241-L243 HydrophobicContact CG1-CG 4.26Å
242	C	92.8	Very high	88.2	Confident	12 Å²	12	79.4 Å²	79.4	8%	0.081	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.9	168.2	-68.8	0	0	0	0	109.1	C229 M233 I234	C229-C242 WeakPolarHBondContact CA-SG 3.46Å; C229-C242 HydrophobicContact CB-CB 3.74Å; C229-C242 WeakPolarHBondContact CB-SG 3.43Å; C229-C242 WeakPolarHBondContact SG-CB 3.49Å; C229-C242 CovalentContact SG-SG 2.04Å; C229-C242 PolarHBondContact SG-SG 3.22Å; M233-C242 HydrophobicContact CB-CB 4.15Å; M233-C242 HydrophobicContact SD-CB 4.33Å; I234-C242 CarbonylContact O-C 3.54Å; I234-C242 WeakPolarHBondContact O-CA 2.98Å
243	L	90.6	Very high	88.1	Confident	66 Å²	66	82.8 Å²	82.8	35%	0.346	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.2	174.8	-67.2	177.8	0	0	0	110.3	M233 I234 D236 I241	M233-L243 CarbonylContact C-O 3.47Å; M233-L243 WeakPolarHBondContact CA-O 3.18Å; M233-L243 WeakPolarHBondContact CB-O 3.41Å; I234-L243 PolarHBondContact N-O 3.31Å; I234-L243 PolarHBondContact O-N 3.21Å; D236-L243 HydrophobicContact CB-CD1 3.92Å; D236-L243 HydrophobicContact CB-CG 4.24Å; I241-L243 HydrophobicContact CD1-CD2 3.61Å; I241-L243 HydrophobicContact CD1-CG 4.37Å; I241-L243 HydrophobicContact CG1-CD2 4.03Å; I241-L243 HydrophobicContact CG1-CG 4.26Å
244	P	87.9	Confident	87.9	Confident	58 Å²	58	85.5 Å²	85.5	38%	0.377	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.2	169.7	24.3	-30.6	0	0	0	111.1	T269	P244-T269 HydrophobicContact CB-CG2 4.09Å; P244-T269 HydrophobicContact CG-CG2 3.3Å
245	I	87.2	Confident	87.8	Confident	35 Å²	35	81.7 Å²	81.7	18%	0.179	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-66.6	137.6	173.1	-62.4	-179.4	0	0	0	108.2	E232 I234 D249 R250	E232-I245 VanDerWaalsContact C-CG1 3.45Å; E232-I245 WeakPolarHBondContact O-CG1 3.48Å; E232-I245 PolarHBondContact O-N 3.31Å; I234-I245 HydrophobicContact CB-CG1 4.44Å; I234-I245 HydrophobicContact CD1-CD1 3.99Å; I234-I245 HydrophobicContact CD1-CG1 3.63Å; I234-I245 HydrophobicContact CD1-CG2 4.41Å; I234-I245 HydrophobicContact CG1-CD1 3.88Å; I234-I245 HydrophobicContact CG1-CG1 3.62Å; I245-D249 HydrophobicContact CG2-CB 3.91Å; I245-R250 HydrophobicContact CG2-CG 4.32Å
246	N	85	Confident	87.8	Confident	65 Å²	65	80.8 Å²	80.8	35%	0.348	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-49.1	126.8	170.5	-178	-28	0	0	0	109.4	C248 D249 R250 A266	N246-C248 PolarHBondContact O-N 2.86Å; N246-C248 WeakPolarHBondContact OD1-CB 3.39Å; N246-C248 PolarHBondContact OD1-N 3.46Å; N246-D249 HydrophobicContact CB-CB 4.29Å; N246-D249 WeakPolarHBondContact CB-OD2 3.28Å; N246-D249 PolarHBondContact O-N 3.36Å; N246-R250 PolarHBondContact O-N 2.79Å; N246-A266 WeakPolarHBondContact OD1-CB 3.31Å
247	P	86.4	Confident	87.8	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.019	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-45.5	-38	175.8	-30.2	35.5	0	0	0	114.3	D249 R250 V255 A266 T269 Y272	P247-D249 VanDerWaalsContact C-N 3.31Å; P247-D249 PolarHBondContact O-N 3.33Å; P247-R250 PolarHBondContact O-N 3.02Å; P247-V255 HydrophobicContact CB-CG1 4.14Å; P247-V255 HydrophobicContact CB-CG2 4.25Å; P247-A266 HydrophobicContact CG-CB 4.32Å; P247-T269 WeakPolarHBondContact CG-O 3.38Å; P247-Y272 HydrophobicContact CB-CD1 4.28Å
248	C	88.9	Confident	87.8	Confident	36 Å²	36	78.3 Å²	78.3	24%	0.243	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-68.5	-24	178.9	-59.9	0	0	0	0	114.2	N246 C264	N246-C248 PolarHBondContact O-N 2.86Å; N246-C248 WeakPolarHBondContact OD1-CB 3.39Å; N246-C248 PolarHBondContact OD1-N 3.46Å; C248-C264 WeakPolarHBondContact CA-SG 3.34Å; C248-C264 HydrophobicContact CB-CB 3.69Å; C248-C264 WeakPolarHBondContact CB-SG 3.41Å; C248-C264 WeakPolarHBondContact SG-CB 3.46Å; C248-C264 CovalentContact SG-SG 2.03Å; C248-C264 PolarHBondContact SG-SG 3.35Å
249	D	86	Confident	88	Confident	111 Å²	111	77.8 Å²	77.8	59%	0.594	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-96.9	3	-178.3	-65.5	-37.8	0	0	0	112.9	I245 N246 P247 K251	I245-D249 HydrophobicContact CG2-CB 3.91Å; N246-D249 HydrophobicContact CB-CB 4.29Å; N246-D249 WeakPolarHBondContact CB-OD2 3.28Å; N246-D249 PolarHBondContact O-N 3.36Å; P247-D249 VanDerWaalsContact C-N 3.31Å; P247-D249 PolarHBondContact O-N 3.33Å; D249-K251 PolarHBondContact O-N 3.41Å
250	R	83.6	Confident	88.2	Confident	58 Å²	58	73.7 Å²	73.7	22%	0.219	35%	0.354	C	S	.	.			trans	-69.1	120.3	-178.5	-68.5	-174.9	-173.3	172.8	8.8	110.5	E232 I245 N246 P247 F253 Q254 T269	E232-R250 IonicContact OE2-CZ 3.66Å; E232-R250 IonicContact OE2-NE 3.5Å; E232-R250 IonicContact OE2-NH1 3.12Å; E232-R250 PolarHBondContact OE2-NH1 3.45Å; I245-R250 HydrophobicContact CG2-CG 4.32Å; N246-R250 PolarHBondContact O-N 2.79Å; P247-R250 PolarHBondContact O-N 3.02Å; R250-F253 WeakPolarHBondContact CB-O 3.16Å; R250-Q254 WeakPolarHBondContact O-CG 3.43Å; R250-T269 PolarHBondContact NH2-O 3.34Å; R250-T269 VanDerWaalsContact NH2-O 3.17Å
251	K	79.3	Confident	88.4	Confident	203 Å²	203	69.7 Å²	69.7	88%	0.883	34%	0.341	S	S	*	.	S	Bend	trans	-77.6	-26.2	178.7	-65.1	-173	177.8	-174.9	0	114.2	D249	D249-K251 PolarHBondContact O-N 3.41Å
252	R	79.1	Confident	88.5	Confident	175 Å²	175	72.2 Å²	72.2	66%	0.66	36%	0.355	S	S	*	.	S	Bend	trans	-91.6	-42.9	-169.9	-149.3	-175.4	-162.7	173.9	5.6	112.5	E231	E231-R252 IonicContact OE2-CZ 2.68Å; E231-R252 IonicContact OE2-NH1 2.72Å; E231-R252 PolarHBondContact OE2-NH1 2.8Å
253	F	81.8	Confident	88.6	Confident	140 Å²	140	77 Å²	77	61%	0.614	38%	0.376	S	S	*	.	S	Bend	trans	-126.7	94.2	174.6	-62.4	-74.6	0	0	0	107.3	R250 V255	R250-F253 WeakPolarHBondContact CB-O 3.16Å; F253-V255 PolarHBondContact O-N 3.34Å
254	Q	86.1	Confident	88.7	Confident	122 Å²	122	75.7 Å²	75.7	57%	0.57	37%	0.372	S	S	*	.			trans	-72.1	123.9	173.7	-74	175.1	-13.6	0	0	108.4	R250 C256	R250-Q254 WeakPolarHBondContact O-CG 3.43Å; Q254-C256 VanDerWaalsContact C-N 3.33Å
255	V	89.7	Confident	89	Confident	20 Å²	20	75.2 Å²	75.2	12%	0.121	37%	0.366	C	S	.	.	S	Bend	trans	-74.9	-26.1	-178.5	-66.3	0	0	0	0	112.9	P247 F253 Y272 D284	P247-V255 HydrophobicContact CB-CG1 4.14Å; P247-V255 HydrophobicContact CB-CG2 4.25Å; F253-V255 PolarHBondContact O-N 3.34Å; V255-Y272 HydrophobicContact CB-CD1 4.28Å; V255-Y272 HydrophobicContact CB-CD2 3.87Å; V255-Y272 HydrophobicContact CB-CE1 4.03Å; V255-Y272 HydrophobicContact CB-CE2 3.6Å; V255-Y272 HydrophobicContact CB-CG 4.21Å; V255-Y272 HydrophobicContact CG1-CD1 4.19Å; V255-Y272 HydrophobicContact CG1-CE1 3.87Å; V255-Y272 HydrophobicContact CG1-CE2 4.37Å; V255-Y272 HydrophobicContact CG2-CD2 3.86Å; V255-Y272 HydrophobicContact CG2-CE2 4.13Å; V255-Y272 HydrophobicContact CG2-CG 4.08Å; V255-D284 VanDerWaalsContact O-CB 3.24Å; V255-D284 WeakPolarHBondContact O-CB 3.47Å
256	C	93	Very high	89.1	Confident	11 Å²	11	75 Å²	75	7%	0.074	37%	0.369	C	S	.	.	S	Bend	trans	-123	142.7	174.4	-46.3	0	0	0	0	109	Q254 P258 T261 C264 C274	Q254-C256 VanDerWaalsContact C-N 3.33Å; C256-P258 VanDerWaalsContact O-CD 3.28Å; C256-P258 WeakPolarHBondContact O-CD 3.42Å; C256-T261 HydrophobicContact CB-CG2 3.77Å; C256-T261 WeakPolarHBondContact CB-OG1 3.35Å; C256-C264 PolarHBondContact SG-SG 3.19Å; C256-C274 VanDerWaalsContact CA-SG 3.56Å; C256-C274 HydrophobicContact CB-CB 3.75Å; C256-C274 WeakPolarHBondContact CB-SG 3.32Å; C256-C274 WeakPolarHBondContact SG-CB 3.35Å; C256-C274 CovalentContact SG-SG 2.02Å; C256-C274 PolarHBondContact SG-SG 3.3Å
257	I	93.4	Very high	89.3	Confident	51 Å²	51	78.4 Å²	78.4	26%	0.262	38%	0.378	S	S	.	.			trans	-73.3	114.9	175.6	-68.1	170.6	0	0	0	109.2	E259 N260 T261 D284 S286	I257-E259 VanDerWaalsContact C-N 3.25Å; I257-E259 HydrophobicContact CG2-CB 4.37Å; I257-E259 WeakPolarHBondContact CG2-OE2 3.46Å; I257-E259 PolarHBondContact O-N 2.88Å; I257-N260 HydrophobicContact CB-CB 4.34Å; I257-N260 HydrophobicContact CG2-CB 4.1Å; I257-N260 PolarHBondContact O-N 3.31Å; I257-N260 VanDerWaalsContact O-N 3.09Å; I257-T261 VanDerWaalsContact O-CB 3.22Å; I257-T261 WeakPolarHBondContact O-CB 3.25Å; I257-T261 PolarHBondContact O-N 2.94Å; I257-T261 PolarHBondContact O-OG1 2.78Å; I257-D284 PolarHBondContact N-O 2.96Å; I257-S286 VanDerWaalsContact CD1-CA 3.49Å; I257-S286 VanDerWaalsContact CD1-CB 3.48Å
258	P	90.2	Very high	89.1	Confident	65 Å²	65	83 Å²	83	42%	0.422	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.1	-173.1	-23.7	33.4	0	0	0	113.5	C256 N260	C256-P258 VanDerWaalsContact O-CD 3.28Å; C256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-N260 VanDerWaalsContact C-N 3.26Å; P258-N260 PolarHBondContact O-N 3.46Å
259	E	92.9	Very high	88.4	Confident	127 Å²	127	84.7 Å²	84.7	59%	0.593	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.2	-178.2	-61.5	74.6	-161.3	0	0	112.2	I257 K277	I257-E259 VanDerWaalsContact C-N 3.25Å; I257-E259 HydrophobicContact CG2-CB 4.37Å; I257-E259 WeakPolarHBondContact CG2-OE2 3.46Å; I257-E259 PolarHBondContact O-N 2.88Å; E259-K277 WeakPolarHBondContact O-CE 3.5Å; E259-K277 PolarHBondContact O-NZ 2.88Å
260	N	95.3	Very high	88.2	Confident	21 Å²	21	84 Å²	84	11%	0.112	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.9	-172.4	-60.2	-7.4	0	0	0	113	I257 P258 K277 Y280 C285	I257-N260 HydrophobicContact CB-CB 4.34Å; I257-N260 HydrophobicContact CG2-CB 4.1Å; I257-N260 PolarHBondContact O-N 3.31Å; I257-N260 VanDerWaalsContact O-N 3.09Å; P258-N260 VanDerWaalsContact C-N 3.26Å; P258-N260 PolarHBondContact O-N 3.46Å; N260-K277 WeakPolarHBondContact O-CB 2.81Å; N260-K277 WeakPolarHBondContact O-CG 3.38Å; N260-K277 PolarHBondContact O-N 2.86Å; N260-Y280 HydrophobicContact CB-CD1 4Å; N260-Y280 HydrophobicContact CB-CD2 3.83Å; N260-Y280 HydrophobicContact CB-CE1 4.37Å; N260-Y280 HydrophobicContact CB-CE2 4.22Å; N260-Y280 HydrophobicContact CB-CG 3.7Å; N260-Y280 VanDerWaalsContact CG-CE1 3.48Å; N260-Y280 VanDerWaalsContact ND2-CD1 3.27Å; N260-Y280 WeakPolarHBondContact ND2-CD1 3.05Å; N260-Y280 WeakPolarHBondContact ND2-CE1 3.45Å; N260-Y280 VanDerWaalsContact OD1-CZ 3.29Å; N260-C285 HydrophobicContact CB-CB 3.94Å; N260-C285 VanDerWaalsContact CB-O 3.23Å; N260-C285 WeakPolarHBondContact CB-O 3.1Å; N260-C285 PolarHBondContact ND2-O 3.44Å
261	T	95.1	Very high	88.4	Confident	17 Å²	17	85 Å²	85	10%	0.104	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.5	-175	-53.9	0	0	0	0	110.3	C256 I257 Q263 C274 I275	C256-T261 HydrophobicContact CB-CG2 3.77Å; C256-T261 WeakPolarHBondContact CB-OG1 3.35Å; I257-T261 VanDerWaalsContact O-CB 3.22Å; I257-T261 WeakPolarHBondContact O-CB 3.25Å; I257-T261 PolarHBondContact O-N 2.94Å; I257-T261 PolarHBondContact O-OG1 2.78Å; T261-Q263 WeakPolarHBondContact CG2-O 3.49Å; T261-C274 HydrophobicContact CG2-CB 4.2Å; T261-I275 WeakPolarHBondContact CG2-O 3.24Å
262	L	94.5	Very high	88.9	Confident	120 Å²	120	79.3 Å²	79.3	63%	0.628	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-44.6	170.8	-69.8	173	0	0	0	111.3	I275 K277	L262-I275 HydrophobicContact CB-CG2 4.31Å; L262-I275 WeakPolarHBondContact CB-O 3.01Å; L262-I275 HydrophobicContact CD1-CG2 4.4Å; L262-I275 PolarHBondContact N-O 2.86Å; L262-K277 HydrophobicContact CD2-CG 3.71Å; L262-K277 HydrophobicContact CG-CB 4.49Å; L262-K277 HydrophobicContact CG-CG 3.76Å
263	Q	93.7	Very high	89.6	Confident	113 Å²	113	75.2 Å²	75.2	53%	0.528	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	136.8	-177.8	-172.7	173.8	6.6	0	0	111.2	T261 I265 I275	T261-Q263 WeakPolarHBondContact CG2-O 3.49Å; Q263-I265 HydrophobicContact CG-CG1 4.16Å; Q263-I275 HydrophobicContact CB-CB 4.31Å; Q263-I275 HydrophobicContact CB-CD1 4.32Å; Q263-I275 PolarHBondContact N-O 3.02Å; Q263-I275 PolarHBondContact O-N 3.35Å
264	C	94	Very high	90.2	Very high	38 Å²	38	69.2 Å²	69.2	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.9	168.3	-179	0	0	0	0	109.1	C248 C256	C248-C264 WeakPolarHBondContact CA-SG 3.34Å; C248-C264 HydrophobicContact CB-CB 3.69Å; C248-C264 WeakPolarHBondContact CB-SG 3.41Å; C248-C264 WeakPolarHBondContact SG-CB 3.46Å; C248-C264 CovalentContact SG-SG 2.03Å; C248-C264 PolarHBondContact SG-SG 3.35Å; C256-C264 PolarHBondContact SG-SG 3.19Å
265	I	93.5	Very high	90.6	Very high	48 Å²	48	66.5 Å²	66.5	25%	0.246	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.7	176.8	-58.2	176	0	0	0	107.3	Q263 Y267 Y272 E273 I275	Q263-I265 HydrophobicContact CG-CG1 4.16Å; I265-Y267 HydrophobicContact CG2-CD1 4.36Å; I265-Y267 HydrophobicContact CG2-CE1 3.94Å; I265-Y267 HydrophobicContact CG2-CE2 4.24Å; I265-Y272 CarbonylContact O-C 3Å; I265-Y272 WeakPolarHBondContact O-CA 3.12Å; I265-Y272 WeakPolarHBondContact O-CB 3.17Å; I265-E273 PolarHBondContact N-O 3.24Å; I265-E273 PolarHBondContact O-N 3.03Å; I265-I275 HydrophobicContact CD1-CD1 3.75Å; I265-I275 HydrophobicContact CD1-CG1 4.38Å
266	A	90	Very high	90.9	Very high	31 Å²	31	66.7 Å²	66.7	26%	0.256	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.8	171.2	0	0	0	0	0	109.3	N246 P247	N246-A266 WeakPolarHBondContact OD1-CB 3.31Å; P247-A266 HydrophobicContact CG-CB 4.32Å
267	Y	88.1	Confident	91	Very high	136 Å²	136	69.6 Å²	69.6	53%	0.533	36%	0.361	S	S	.	.	S	Bend	trans	-77.7	-38	174.7	-61	-73.4	0	0	0	110.7	I265 D271 E273	I265-Y267 HydrophobicContact CG2-CD1 4.36Å; I265-Y267 HydrophobicContact CG2-CE1 3.94Å; I265-Y267 HydrophobicContact CG2-CE2 4.24Å; Y267-D271 PolarHBondContact N-O 2.98Å; Y267-E273 HydrophobicContact CE2-CB 3.89Å; Y267-E273 PolarHBondContact OH-OE2 3.16Å
268	N	81.9	Confident	91	Very high	99 Å²	99	70.2 Å²	70.2	53%	0.529	37%	0.369	S	S	.	.	S	Bend	trans	-142.3	-172.6	-177.8	-74.9	-32.1	0	0	0	110.8	T270 D271	N268-T270 PolarHBondContact O-N 3.11Å; N268-D271 HydrophobicContact CB-CB 4.17Å; N268-D271 PolarHBondContact N-O 2.98Å; N268-D271 PolarHBondContact ND2-OD2 2.03Å
269	T	76.2	Confident	91.2	Very high	73 Å²	73	71 Å²	71	45%	0.448	37%	0.368	S	S	.	.	S	Bend	trans	-69.8	-14.5	176.8	68.9	0	0	0	0	114	P244 P247 R250	P244-T269 HydrophobicContact CB-CG2 4.09Å; P244-T269 HydrophobicContact CG-CG2 3.3Å; P247-T269 WeakPolarHBondContact CG-O 3.38Å; R250-T269 PolarHBondContact NH2-O 3.34Å; R250-T269 VanDerWaalsContact NH2-O 3.17Å
270	T	80	Confident	91.4	Very high	95 Å²	95	68.1 Å²	68.1	58%	0.583	35%	0.352	S	S	*	.	S	Bend	trans	-123.6	-34.1	-178.8	52	0	0	0	0	112.6	N268 Y272	N268-T270 PolarHBondContact O-N 3.11Å; T270-Y272 WeakPolarHBondContact O-CD1 3.4Å
271	D	87.9	Confident	91.3	Very high	81 Å²	81	68.3 Å²	68.3	43%	0.433	35%	0.352	S	S	.	.			trans	-94.1	118	-171.6	-47.8	-31.4	0	0	0	109.5	Y267 N268	Y267-D271 PolarHBondContact N-O 2.98Å; N268-D271 HydrophobicContact CB-CB 4.17Å; N268-D271 PolarHBondContact N-O 2.98Å; N268-D271 PolarHBondContact ND2-OD2 2.03Å
272	Y	90.9	Very high	91.2	Very high	83 Å²	83	69 Å²	69	33%	0.325	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.8	179.1	64.4	-89	0	0	0	110.6	P247 V255 I265 T270 I283	P247-Y272 HydrophobicContact CB-CD1 4.28Å; V255-Y272 HydrophobicContact CB-CD1 4.28Å; V255-Y272 HydrophobicContact CB-CD2 3.87Å; V255-Y272 HydrophobicContact CB-CE1 4.03Å; V255-Y272 HydrophobicContact CB-CE2 3.6Å; V255-Y272 HydrophobicContact CB-CG 4.21Å; V255-Y272 HydrophobicContact CG1-CD1 4.19Å; V255-Y272 HydrophobicContact CG1-CE1 3.87Å; V255-Y272 HydrophobicContact CG1-CE2 4.37Å; V255-Y272 HydrophobicContact CG2-CD2 3.86Å; V255-Y272 HydrophobicContact CG2-CE2 4.13Å; V255-Y272 HydrophobicContact CG2-CG 4.08Å; I265-Y272 CarbonylContact O-C 3Å; I265-Y272 WeakPolarHBondContact O-CA 3.12Å; I265-Y272 WeakPolarHBondContact O-CB 3.17Å; T270-Y272 WeakPolarHBondContact O-CD1 3.4Å; Y272-I283 HydrophobicContact CE2-CG2 4.36Å
273	E	93.9	Very high	91.1	Very high	88 Å²	88	69.8 Å²	69.8	41%	0.411	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.7	176.9	-179.3	174.1	-168	0	0	108.9	I265 Y267	I265-E273 PolarHBondContact N-O 3.24Å; I265-E273 PolarHBondContact O-N 3.03Å; Y267-E273 HydrophobicContact CE2-CB 3.89Å; Y267-E273 PolarHBondContact OH-OE2 3.16Å
274	C	94.6	Very high	91.1	Very high	14 Å²	14	67 Å²	67	10%	0.095	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.7	176.5	-53.9	0	0	0	0	108.8	C256 T261 C276 I283	C256-C274 VanDerWaalsContact CA-SG 3.56Å; C256-C274 HydrophobicContact CB-CB 3.75Å; C256-C274 WeakPolarHBondContact CB-SG 3.32Å; C256-C274 WeakPolarHBondContact SG-CB 3.35Å; C256-C274 CovalentContact SG-SG 2.02Å; C256-C274 PolarHBondContact SG-SG 3.3Å; T261-C274 HydrophobicContact CG2-CB 4.2Å; C274-C276 PolarHBondContact O-N 3.02Å; C274-I283 WeakPolarHBondContact CB-O 2.99Å; C274-I283 PolarHBondContact SG-O 3Å
275	I	94	Very high	91.1	Very high	66 Å²	66	65.2 Å²	65.2	34%	0.338	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108	171.8	-58.4	-177.8	0	0	0	107.6	T261 L262 Q263 I265	T261-I275 WeakPolarHBondContact CG2-O 3.24Å; L262-I275 HydrophobicContact CB-CG2 4.31Å; L262-I275 WeakPolarHBondContact CB-O 3.01Å; L262-I275 HydrophobicContact CD1-CG2 4.4Å; L262-I275 PolarHBondContact N-O 2.86Å; Q263-I275 HydrophobicContact CB-CB 4.31Å; Q263-I275 HydrophobicContact CB-CD1 4.32Å; Q263-I275 PolarHBondContact N-O 3.02Å; Q263-I275 PolarHBondContact O-N 3.35Å; I265-I275 HydrophobicContact CD1-CD1 3.75Å; I265-I275 HydrophobicContact CD1-CG1 4.38Å
276	C	94.9	Very high	91.2	Very high	23 Å²	23	65.5 Å²	65.5	16%	0.155	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	154.5	-177.2	-51.3	0	0	0	0	112.7	C274 Y280 C285	C274-C276 PolarHBondContact O-N 3.02Å; C276-Y280 WeakPolarHBondContact CB-O 3.34Å; C276-C285 WeakPolarHBondContact CA-SG 3.42Å; C276-C285 HydrophobicContact CB-CB 3.71Å; C276-C285 WeakPolarHBondContact CB-SG 3.29Å; C276-C285 WeakPolarHBondContact SG-CA 3.44Å; C276-C285 WeakPolarHBondContact SG-CB 3.45Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.21Å
277	K	95.3	Very high	91.4	Very high	73 Å²	73	68.5 Å²	68.5	32%	0.317	36%	0.36	S	S	.	.			trans	-62.5	162.4	164.6	-69.7	176.4	179.9	177.4	0	111	E259 N260 L262 E279 Y280 R289	E259-K277 WeakPolarHBondContact O-CE 3.5Å; E259-K277 PolarHBondContact O-NZ 2.88Å; N260-K277 WeakPolarHBondContact O-CB 2.81Å; N260-K277 WeakPolarHBondContact O-CG 3.38Å; N260-K277 PolarHBondContact O-N 2.86Å; L262-K277 HydrophobicContact CD2-CG 3.71Å; L262-K277 HydrophobicContact CG-CB 4.49Å; L262-K277 HydrophobicContact CG-CG 3.76Å; K277-E279 WeakPolarHBondContact CB-OE2 3.48Å; K277-E279 PolarHBondContact O-N 2.83Å; K277-E279 VanDerWaalsContact O-N 3.1Å; K277-Y280 HydrophobicContact CB-CD2 4.22Å; K277-Y280 PolarHBondContact O-N 3.16Å; K277-Y280 VanDerWaalsContact O-N 3.07Å; K277-R289 PolarHBondContact O-NH2 2.85Å
278	S	93.4	Very high	91.8	Very high	63 Å²	63	65.9 Å²	65.9	44%	0.441	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.9	-178.5	29.9	0	0	0	0	113.9	R289	S278-R289 WeakPolarHBondContact O-CD 3.18Å; S278-R289 PolarHBondContact O-NE 3.13Å
279	E	95	Very high	92.4	Very high	82 Å²	82	61.9 Å²	61.9	38%	0.383	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10	-177	-51.9	70.8	-148.5	0	0	112.7	K277 R289 G320	K277-E279 WeakPolarHBondContact CB-OE2 3.48Å; K277-E279 PolarHBondContact O-N 2.83Å; K277-E279 VanDerWaalsContact O-N 3.1Å; E279-R289 PolarHBondContact O-N 3.02Å; E279-G320 WeakPolarHBondContact CA-O 3.36Å; E279-G320 WeakPolarHBondContact O-CA 3.25Å
280	Y	96.4	Very high	93.4	Very high	66 Å²	66	59.4 Å²	59.4	26%	0.259	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.1	-171.9	-61.8	-86.9	0	0	0	112	N260 C276 K277 L287 L288 R289	N260-Y280 HydrophobicContact CB-CD1 4Å; N260-Y280 HydrophobicContact CB-CD2 3.83Å; N260-Y280 HydrophobicContact CB-CE1 4.37Å; N260-Y280 HydrophobicContact CB-CE2 4.22Å; N260-Y280 HydrophobicContact CB-CG 3.7Å; N260-Y280 VanDerWaalsContact CG-CE1 3.48Å; N260-Y280 VanDerWaalsContact ND2-CD1 3.27Å; N260-Y280 WeakPolarHBondContact ND2-CD1 3.05Å; N260-Y280 WeakPolarHBondContact ND2-CE1 3.45Å; N260-Y280 VanDerWaalsContact OD1-CZ 3.29Å; C276-Y280 WeakPolarHBondContact CB-O 3.34Å; K277-Y280 HydrophobicContact CB-CD2 4.22Å; K277-Y280 PolarHBondContact O-N 3.16Å; K277-Y280 VanDerWaalsContact O-N 3.07Å; Y280-L287 CarbonylContact C-O 3.6Å; Y280-L287 VanDerWaalsContact CA-O 3.23Å; Y280-L287 WeakPolarHBondContact CA-O 3.33Å; Y280-L288 HydrophobicContact CD1-CD2 4.11Å; Y280-L288 HydrophobicContact CE1-CD2 3.74Å; Y280-R289 PolarHBondContact O-NH2 3.43Å
281	M	93.9	Very high	94.1	Very high	26 Å²	26	54.9 Å²	54.9	13%	0.128	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-177.6	179	71.7	173.5	-170.1	0	0	111	C285 L287 L288 D290	M281-C285 CarbonylContact O-C 3.43Å; M281-C285 WeakPolarHBondContact O-CA 3.43Å; M281-L287 HydrophobicContact CE-CB 4.28Å; M281-L287 HydrophobicContact CE-CD1 4.47Å; M281-L287 HydrophobicContact CG-CB 4.03Å; M281-L287 PolarHBondContact N-O 3.14Å; M281-L287 PolarHBondContact O-N 2.94Å; M281-L287 VanDerWaalsContact O-N 3.16Å; M281-L288 WeakPolarHBondContact CE-O 3.28Å; M281-D290 HydrophobicContact CE-CB 3.44Å; M281-D290 VanDerWaalsContact CE-CB 3.44Å; M281-D290 HydrophobicContact SD-CB 4.07Å; M281-D290 PolarHBondContact SD-N 2.88Å
282	G	92.7	Very high	94.5	Very high	32 Å²	32	51.2 Å²	51.2	33%	0.33	27%	0.269	S	S	.	.	S	Bend	trans	96.3	173.6	-177.6	0	0	0	0	0	112.5	D284 C285	G282-D284 PolarHBondContact O-N 2.97Å; G282-C285 PolarHBondContact O-N 3.29Å
283	I	92.5	Very high	94.8	Very high	135 Å²	135	54.7 Å²	54.7	69%	0.692	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.6	-173.8	-62.6	168.1	0	0	0	111.6	Y272 C274	Y272-I283 HydrophobicContact CE2-CG2 4.36Å; C274-I283 WeakPolarHBondContact CB-O 2.99Å; C274-I283 PolarHBondContact SG-O 3Å
284	D	93.4	Very high	94.7	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	7.8	-176.5	65.2	-17.8	0	0	0	113.5	V255 I257 G282 S286	V255-D284 VanDerWaalsContact O-CB 3.24Å; V255-D284 WeakPolarHBondContact O-CB 3.47Å; I257-D284 PolarHBondContact N-O 2.96Å; G282-D284 PolarHBondContact O-N 2.97Å; D284-S286 VanDerWaalsContact C-N 3.28Å; D284-S286 PolarHBondContact O-N 3.3Å; D284-S286 WeakPolarHBondContact OD1-CB 3.24Å; D284-S286 PolarHBondContact OD1-N 2.74Å; D284-S286 VanDerWaalsContact OD1-N 3.12Å; D284-S286 PolarHBondContact OD1-OG 2.93Å; D284-S286 WeakPolarHBondContact OD2-CB 2.97Å; D284-S286 PolarHBondContact OD2-OG 3.33Å
285	C	95.3	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	61.9	28.2	-174.5	-48.3	0	0	0	0	114.7	N260 C276 M281 G282	N260-C285 HydrophobicContact CB-CB 3.94Å; N260-C285 VanDerWaalsContact CB-O 3.23Å; N260-C285 WeakPolarHBondContact CB-O 3.1Å; N260-C285 PolarHBondContact ND2-O 3.44Å; C276-C285 WeakPolarHBondContact CA-SG 3.42Å; C276-C285 HydrophobicContact CB-CB 3.71Å; C276-C285 WeakPolarHBondContact CB-SG 3.29Å; C276-C285 WeakPolarHBondContact SG-CA 3.44Å; C276-C285 WeakPolarHBondContact SG-CB 3.45Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.21Å; M281-C285 CarbonylContact O-C 3.43Å; M281-C285 WeakPolarHBondContact O-CA 3.43Å; G282-C285 PolarHBondContact O-N 3.29Å
286	S	94.8	Very high	94.5	Very high	53 Å²	53	54.3 Å²	54.3	37%	0.371	28%	0.283	S	S	.	.			trans	-82.2	-22.4	178.6	60.9	0	0	0	0	115.2	I257 D284	I257-S286 VanDerWaalsContact CD1-CA 3.49Å; I257-S286 VanDerWaalsContact CD1-CB 3.48Å; D284-S286 VanDerWaalsContact C-N 3.28Å; D284-S286 PolarHBondContact O-N 3.3Å; D284-S286 WeakPolarHBondContact OD1-CB 3.24Å; D284-S286 PolarHBondContact OD1-N 2.74Å; D284-S286 VanDerWaalsContact OD1-N 3.12Å; D284-S286 PolarHBondContact OD1-OG 2.93Å; D284-S286 WeakPolarHBondContact OD2-CB 2.97Å; D284-S286 PolarHBondContact OD2-OG 3.33Å
287	L	95.4	Very high	94.3	Very high	94 Å²	94	56.6 Å²	56.6	49%	0.492	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.6	-175.5	-57.6	178.3	0	0	0	110	Y280 M281	Y280-L287 CarbonylContact C-O 3.6Å; Y280-L287 VanDerWaalsContact CA-O 3.23Å; Y280-L287 WeakPolarHBondContact CA-O 3.33Å; M281-L287 HydrophobicContact CE-CB 4.28Å; M281-L287 HydrophobicContact CE-CD1 4.47Å; M281-L287 HydrophobicContact CG-CB 4.03Å; M281-L287 PolarHBondContact N-O 3.14Å; M281-L287 PolarHBondContact O-N 2.94Å; M281-L287 VanDerWaalsContact O-N 3.16Å
288	L	95.9	Very high	93.9	Very high	81 Å²	81	60.6 Å²	60.6	42%	0.424	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	143	164.8	-71.3	174.1	0	0	0	109.1	Y280 M281 D290 L319	Y280-L288 HydrophobicContact CD1-CD2 4.11Å; Y280-L288 HydrophobicContact CE1-CD2 3.74Å; M281-L288 WeakPolarHBondContact CE-O 3.28Å; L288-D290 PolarHBondContact O-N 2.66Å; L288-L319 HydrophobicContact CB-CB 4.21Å; L288-L319 HydrophobicContact CD1-CB 4.27Å
289	R	94.9	Very high	93.8	Very high	16 Å²	16	62.2 Å²	62.2	6%	0.06	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-57.7	133.6	179.9	-176	170.1	-59.3	-83.4	-4.8	111.1	K277 S278 E279 Y280 L319 G320	K277-R289 PolarHBondContact O-NH2 2.85Å; S278-R289 WeakPolarHBondContact O-CD 3.18Å; S278-R289 PolarHBondContact O-NE 3.13Å; E279-R289 PolarHBondContact O-N 3.02Å; Y280-R289 PolarHBondContact O-NH2 3.43Å; R289-L319 CarbonylContact O-C 3.54Å; R289-L319 WeakPolarHBondContact O-CA 3.42Å; R289-G320 PolarHBondContact O-N 3.4Å
290	D	96.4	Very high	93.6	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.112	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-118.9	101.5	173	-173.6	-26	0	0	0	109.1	M281 L288 C292 Y293 E294 P317 L319	M281-D290 HydrophobicContact CE-CB 3.44Å; M281-D290 VanDerWaalsContact CE-CB 3.44Å; M281-D290 HydrophobicContact SD-CB 4.07Å; M281-D290 PolarHBondContact SD-N 2.88Å; L288-D290 PolarHBondContact O-N 2.66Å; D290-C292 PolarHBondContact O-N 3.29Å; D290-C292 VanDerWaalsContact O-N 3.16Å; D290-C292 WeakPolarHBondContact OD1-CA 3.36Å; D290-C292 WeakPolarHBondContact OD1-CB 3.33Å; D290-C292 PolarHBondContact OD1-N 3.24Å; D290-Y293 HydrophobicContact CB-CD2 4.06Å; D290-Y293 VanDerWaalsContact CG-CD2 3.48Å; D290-Y293 PolarHBondContact O-N 2.97Å; D290-Y293 VanDerWaalsContact OD2-CD2 3.25Å; D290-Y293 WeakPolarHBondContact OD2-CD2 3.49Å; D290-Y293 WeakPolarHBondContact OD2-CE2 3.23Å; D290-E294 PolarHBondContact O-N 3.43Å; D290-P317 WeakPolarHBondContact OD1-CB 3.28Å; D290-P317 VanDerWaalsContact OD1-CG 3.29Å; D290-P317 WeakPolarHBondContact OD1-CG 3.45Å; D290-L319 HydrophobicContact CB-CD2 4.17Å
291	A	95.6	Very high	93.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.9	-179.5	0	0	0	0	0	113.8	Y293 R295 G303 D322 Y324	A291-Y293 VanDerWaalsContact C-N 3.33Å; A291-R295 WeakPolarHBondContact O-CD 3.36Å; A291-G303 PolarHBondContact O-N 2.97Å; A291-D322 VanDerWaalsContact CB-C 3.47Å; A291-D322 WeakPolarHBondContact CB-O 3.04Å; A291-Y324 HydrophobicContact CB-CD1 3.89Å
292	C	96.4	Very high	93.5	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.02	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.9	170.6	-65.8	0	0	0	0	111.4	D290 N302 N304 C315 P317	D290-C292 PolarHBondContact O-N 3.29Å; D290-C292 VanDerWaalsContact O-N 3.16Å; D290-C292 WeakPolarHBondContact OD1-CA 3.36Å; D290-C292 WeakPolarHBondContact OD1-CB 3.33Å; D290-C292 PolarHBondContact OD1-N 3.24Å; C292-N302 WeakPolarHBondContact O-CB 3.24Å; C292-N302 VanDerWaalsContact O-CG 3.24Å; C292-N302 PolarHBondContact O-OD1 3.2Å; C292-N304 WeakPolarHBondContact O-CB 3.01Å; C292-N304 PolarHBondContact O-N 2.85Å; C292-N304 PolarHBondContact O-ND2 3.32Å; C292-N304 VanDerWaalsContact O-ND2 3.09Å; C292-C315 VanDerWaalsContact CA-SG 3.59Å; C292-C315 HydrophobicContact CB-CB 3.82Å; C292-C315 WeakPolarHBondContact CB-SG 3.43Å; C292-C315 WeakPolarHBondContact SG-CB 3.29Å; C292-C315 CovalentContact SG-SG 2.03Å; C292-C315 PolarHBondContact SG-SG 3.37Å; C292-P317 HydrophobicContact CB-CB 4.46Å; C292-P317 VanDerWaalsContact SG-CD 3.52Å
293	Y	95.2	Very high	93.6	Very high	156 Å²	156	60.6 Å²	60.6	61%	0.612	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-47.7	178	-68.8	-77.5	0	0	0	113.1	D290 A291 N302	D290-Y293 HydrophobicContact CB-CD2 4.06Å; D290-Y293 VanDerWaalsContact CG-CD2 3.48Å; D290-Y293 PolarHBondContact O-N 2.97Å; D290-Y293 VanDerWaalsContact OD2-CD2 3.25Å; D290-Y293 WeakPolarHBondContact OD2-CD2 3.49Å; D290-Y293 WeakPolarHBondContact OD2-CE2 3.23Å; A291-Y293 VanDerWaalsContact C-N 3.33Å; Y293-N302 WeakPolarHBondContact O-CB 3.39Å; Y293-N302 PolarHBondContact O-ND2 3.21Å
294	E	92.3	Very high	93.7	Very high	66 Å²	66	55.4 Å²	55.4	31%	0.308	29%	0.288	S	S	.	.			trans	-143.4	123.9	-173.4	-174	179.7	168.7	0	0	111.7	D290 K298	D290-E294 PolarHBondContact O-N 3.43Å; E294-K298 WeakPolarHBondContact OE1-CE 3.31Å; E294-K298 IonicContact OE1-NZ 3.02Å; E294-K298 PolarHBondContact OE1-NZ 3.21Å
295	R	92.9	Very high	93.8	Very high	18 Å²	18	56.7 Å²	56.7	7%	0.068	30%	0.298	C	S	.	.			trans	-82.7	158.5	175	-58.7	-62.6	-64.7	-77.1	-3.9	111.3	A291 D297 Q300 P301 N302 D322 E340	A291-R295 WeakPolarHBondContact O-CD 3.36Å; R295-D297 VanDerWaalsContact C-N 3.31Å; R295-D297 WeakPolarHBondContact CB-O 3.41Å; R295-Q300 VanDerWaalsContact NH2-OE1 3.08Å; R295-P301 WeakPolarHBondContact CG-O 3.48Å; R295-P301 PolarHBondContact NH1-O 3.3Å; R295-P301 VanDerWaalsContact NH1-O 3.12Å; R295-N302 HydrophobicContact CG-CB 4.29Å; R295-D322 VanDerWaalsContact CA-OD1 3.27Å; R295-D322 WeakPolarHBondContact CA-OD1 3.12Å; R295-D322 IonicContact CZ-OD2 2.66Å; R295-D322 VanDerWaalsContact NE-CG 3.3Å; R295-D322 IonicContact NE-OD1 3.62Å; R295-D322 PolarHBondContact NE-OD1 3.4Å; R295-D322 VanDerWaalsContact NE-OD1 3.07Å; R295-D322 IonicContact NE-OD2 2.7Å; R295-D322 PolarHBondContact NE-OD2 2.97Å; R295-D322 IonicContact NH2-OD2 2.74Å; R295-D322 PolarHBondContact NH2-OD2 2.81Å; R295-E340 IonicContact CZ-OE1 2.78Å; R295-E340 IonicContact NH1-OE1 3.59Å; R295-E340 PolarHBondContact NH1-OE1 2.88Å; R295-E340 IonicContact NH1-OE2 3.8Å; R295-E340 IonicContact NH2-OE1 3.52Å; R295-E340 PolarHBondContact NH2-OE1 3.49Å
296	V	91.3	Very high	93.8	Very high	77 Å²	77	57 Å²	57	47%	0.467	30%	0.299	S	S	.	.	S	Bend	trans	-60	-46.7	170.2	175	0	0	0	0	110	K298 D322	V296-K298 PolarHBondContact O-N 3.44Å; V296-D322 HydrophobicContact CG2-CB 3.9Å; V296-D322 PolarHBondContact N-OD1 2.93Å
297	D	90.7	Very high	93.7	Very high	70 Å²	70	54.5 Å²	54.5	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-88.7	102.8	170.2	-175.8	-3.2	0	0	0	110	R295 S299 Q300	R295-D297 VanDerWaalsContact C-N 3.31Å; R295-D297 WeakPolarHBondContact CB-O 3.41Å; D297-S299 PolarHBondContact O-N 3.47Å; D297-S299 VanDerWaalsContact OD1-CB 3.26Å; D297-S299 WeakPolarHBondContact OD1-CB 3.36Å; D297-S299 PolarHBondContact OD1-N 3.23Å; D297-S299 PolarHBondContact OD1-OG 3.1Å; D297-S299 PolarHBondContact OD2-OG 3.29Å; D297-Q300 HydrophobicContact CB-CG 4.08Å; D297-Q300 WeakPolarHBondContact O-CB 3.37Å; D297-Q300 PolarHBondContact O-N 2.76Å; D297-Q300 PolarHBondContact OD2-NE2 3.24Å
298	K	87.2	Confident	93.5	Very high	158 Å²	158	51.8 Å²	51.8	69%	0.687	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-11.8	178.6	-66.8	-177.5	173.7	-175.6	0	114	E294 V296 Q300	E294-K298 WeakPolarHBondContact OE1-CE 3.31Å; E294-K298 IonicContact OE1-NZ 3.02Å; E294-K298 PolarHBondContact OE1-NZ 3.21Å; V296-K298 PolarHBondContact O-N 3.44Å; K298-Q300 VanDerWaalsContact C-N 3.32Å
299	S	91.1	Very high	93.4	Very high	97 Å²	97	51.3 Å²	51.3	68%	0.678	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.7	173.8	76.1	0	0	0	0	113	D297	D297-S299 PolarHBondContact O-N 3.47Å; D297-S299 VanDerWaalsContact OD1-CB 3.26Å; D297-S299 WeakPolarHBondContact OD1-CB 3.36Å; D297-S299 PolarHBondContact OD1-N 3.23Å; D297-S299 PolarHBondContact OD1-OG 3.1Å; D297-S299 PolarHBondContact OD2-OG 3.29Å
300	Q	90.8	Very high	93.2	Very high	75 Å²	75	57.7 Å²	57.7	35%	0.35	29%	0.294	S	S	.	.	S	Bend	trans	-87	147.5	178.6	-65	-178.9	4.3	0	0	111.4	R295 D297 K298	R295-Q300 VanDerWaalsContact NH2-OE1 3.08Å; D297-Q300 HydrophobicContact CB-CG 4.08Å; D297-Q300 WeakPolarHBondContact O-CB 3.37Å; D297-Q300 PolarHBondContact O-N 2.76Å; D297-Q300 PolarHBondContact OD2-NE2 3.24Å; K298-Q300 VanDerWaalsContact C-N 3.32Å
301	P	92.6	Very high	92.7	Very high	54 Å²	54	59.6 Å²	59.6	35%	0.351	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-63.9	142.7	171.7	27.9	-33.2	0	0	0	110.9	R295 V305 N306	R295-P301 WeakPolarHBondContact CG-O 3.48Å; R295-P301 PolarHBondContact NH1-O 3.3Å; R295-P301 VanDerWaalsContact NH1-O 3.12Å; P301-V305 HydrophobicContact CB-CB 4.32Å; P301-V305 HydrophobicContact CB-CG1 4.01Å; P301-N306 WeakPolarHBondContact CB-OD1 3.41Å; P301-N306 WeakPolarHBondContact CG-OD1 3.39Å
302	N	95.1	Very high	92.3	Very high	42 Å²	42	61.4 Å²	61.4	23%	0.225	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-78.3	165.4	175	66.9	26.4	0	0	0	111.8	C292 Y293 R295 N304 V305 N306	C292-N302 WeakPolarHBondContact O-CB 3.24Å; C292-N302 VanDerWaalsContact O-CG 3.24Å; C292-N302 PolarHBondContact O-OD1 3.2Å; Y293-N302 WeakPolarHBondContact O-CB 3.39Å; Y293-N302 PolarHBondContact O-ND2 3.21Å; R295-N302 HydrophobicContact CG-CB 4.29Å; N302-N304 PolarHBondContact O-N 2.97Å; N302-N304 PolarHBondContact OD1-N 2.75Å; N302-V305 PolarHBondContact O-N 3.26Å; N302-V305 VanDerWaalsContact O-N 3.13Å; N302-V305 WeakPolarHBondContact OD1-CB 3.48Å; N302-V305 VanDerWaalsContact OD1-CG2 3.25Å; N302-V305 WeakPolarHBondContact OD1-CG2 3.41Å; N302-V305 PolarHBondContact OD1-N 3.19Å; N302-N306 PolarHBondContact O-N 2.87Å
303	G	95.1	Very high	92	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-32.1	-179.4	0	0	0	0	0	113.3	A291 V305 N306 C307 C315 Y324	A291-G303 PolarHBondContact O-N 2.97Å; G303-V305 VanDerWaalsContact C-N 3.32Å; G303-V305 PolarHBondContact O-N 2.92Å; G303-N306 PolarHBondContact O-N 3.12Å; G303-C307 WeakPolarHBondContact O-CB 3.44Å; G303-C307 PolarHBondContact O-N 2.98Å; G303-C307 PolarHBondContact O-SG 2.92Å; G303-C315 VanDerWaalsContact CA-SG 3.57Å; G303-Y324 VanDerWaalsContact CA-CE2 3.42Å
304	N	96.2	Very high	91.8	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.139	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-37.8	176.4	-77.3	-21.4	0	0	0	112.9	C292 N302 Q308 I309 C315	C292-N304 WeakPolarHBondContact O-CB 3.01Å; C292-N304 PolarHBondContact O-N 2.85Å; C292-N304 PolarHBondContact O-ND2 3.32Å; C292-N304 VanDerWaalsContact O-ND2 3.09Å; N302-N304 PolarHBondContact O-N 2.97Å; N302-N304 PolarHBondContact OD1-N 2.75Å; N304-Q308 PolarHBondContact O-N 3.45Å; N304-I309 HydrophobicContact CB-CD1 3.78Å; N304-I309 HydrophobicContact CB-CG1 3.91Å; N304-I309 HydrophobicContact CB-CG2 4.45Å; N304-I309 VanDerWaalsContact CG-CD1 3.49Å; N304-I309 PolarHBondContact O-N 2.94Å; N304-C315 WeakPolarHBondContact OD1-CB 3.46Å
305	V	95.2	Very high	92	Very high	84 Å²	84	57.2 Å²	57.2	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-68.3	-50.5	173.7	170.4	0	0	0	0	110.1	P301 N302 G303 C307 Q308	P301-V305 HydrophobicContact CB-CB 4.32Å; P301-V305 HydrophobicContact CB-CG1 4.01Å; N302-V305 PolarHBondContact O-N 3.26Å; N302-V305 VanDerWaalsContact O-N 3.13Å; N302-V305 WeakPolarHBondContact OD1-CB 3.48Å; N302-V305 VanDerWaalsContact OD1-CG2 3.25Å; N302-V305 WeakPolarHBondContact OD1-CG2 3.41Å; N302-V305 PolarHBondContact OD1-N 3.19Å; G303-V305 VanDerWaalsContact C-N 3.32Å; G303-V305 PolarHBondContact O-N 2.92Å; V305-C307 PolarHBondContact O-N 3.47Å; V305-Q308 PolarHBondContact O-N 2.88Å; V305-Q308 VanDerWaalsContact O-N 3.09Å
306	N	94.5	Very high	92.1	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.032	33%	0.332	C	S	.	.	H	α-helix	trans	-66.8	-38.5	-176.1	-73.7	-17.1	0	0	0	113.2	P301 N302 G303 Q308 Y324 E340 P341 N342 C343 F344	P301-N306 WeakPolarHBondContact CB-OD1 3.41Å; P301-N306 WeakPolarHBondContact CG-OD1 3.39Å; N302-N306 PolarHBondContact O-N 2.87Å; G303-N306 PolarHBondContact O-N 3.12Å; N306-Q308 PolarHBondContact O-N 3.32Å; N306-Y324 HydrophobicContact CB-CE2 4.31Å; N306-Y324 WeakPolarHBondContact CB-OH 3.38Å; N306-Y324 PolarHBondContact ND2-OH 2.99Å; N306-E340 PolarHBondContact ND2-OE2 3.4Å; N306-P341 WeakPolarHBondContact CB-O 3.32Å; N306-N342 HydrophobicContact CB-CB 4.46Å; N306-N342 CarbonylContact O-C 3.54Å; N306-N342 VanDerWaalsContact O-CA 3.28Å; N306-N342 WeakPolarHBondContact O-CA 3.22Å; N306-C343 PolarHBondContact O-N 3.1Å; N306-F344 HydrophobicContact CB-CZ 4.22Å; N306-F344 VanDerWaalsContact O-CE1 3.26Å; N306-F344 WeakPolarHBondContact O-CE1 2.92Å; N306-F344 WeakPolarHBondContact OD1-CZ 3.43Å
307	C	93.7	Very high	92.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.7	175	-53.9	0	0	0	0	112.7	G303 V305 I309 N313 C315 C326 C343	G303-C307 WeakPolarHBondContact O-CB 3.44Å; G303-C307 PolarHBondContact O-N 2.98Å; G303-C307 PolarHBondContact O-SG 2.92Å; V305-C307 PolarHBondContact O-N 3.47Å; C307-I309 HydrophobicContact CB-CG2 4.21Å; C307-I309 PolarHBondContact O-N 3.14Å; C307-N313 WeakPolarHBondContact O-CB 3.42Å; C307-N313 PolarHBondContact O-ND2 2.93Å; C307-N313 VanDerWaalsContact O-ND2 3.17Å; C307-C315 HydrophobicContact CB-CB 4.05Å; C307-C315 VanDerWaalsContact SG-SG 3.65Å; C307-C326 WeakPolarHBondContact CA-SG 2.94Å; C307-C326 HydrophobicContact CB-CB 3.74Å; C307-C326 WeakPolarHBondContact CB-SG 3.48Å; C307-C326 WeakPolarHBondContact SG-CA 3.2Å; C307-C326 WeakPolarHBondContact SG-CB 3.35Å; C307-C326 CovalentContact SG-SG 2.03Å; C307-C326 PolarHBondContact SG-SG 2.68Å; C307-C343 WeakPolarHBondContact O-CB 3.5Å
308	Q	91.4	Very high	92.5	Very high	38 Å²	38	60.8 Å²	60.8	18%	0.178	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	50.4	-177.6	-57.6	-172	-21.7	0	0	113.5	N304 V305 N306 H310 L311 C343 F344	N304-Q308 PolarHBondContact O-N 3.45Å; V305-Q308 PolarHBondContact O-N 2.88Å; V305-Q308 VanDerWaalsContact O-N 3.09Å; N306-Q308 PolarHBondContact O-N 3.32Å; Q308-H310 PolarHBondContact O-N 3.38Å; Q308-H310 VanDerWaalsContact O-N 3.08Å; Q308-L311 HydrophobicContact CB-CD1 3.95Å; Q308-L311 HydrophobicContact CB-CG 4.44Å; Q308-L311 HydrophobicContact CG-CD1 4.44Å; Q308-L311 WeakPolarHBondContact O-CB 3.42Å; Q308-L311 PolarHBondContact O-N 2.85Å; Q308-C343 PolarHBondContact OE1-O 2.72Å; Q308-F344 HydrophobicContact CG-CD1 3.98Å; Q308-F344 HydrophobicContact CG-CE1 4.12Å
309	I	93.2	Very high	92.8	Very high	70 Å²	70	58.1 Å²	58.1	36%	0.359	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60.2	-26.8	-173	62	156.2	0	0	0	114.1	N304 C307 L311 G312 N313 C315	N304-I309 HydrophobicContact CB-CD1 3.78Å; N304-I309 HydrophobicContact CB-CG1 3.91Å; N304-I309 HydrophobicContact CB-CG2 4.45Å; N304-I309 VanDerWaalsContact CG-CD1 3.49Å; N304-I309 PolarHBondContact O-N 2.94Å; C307-I309 HydrophobicContact CB-CG2 4.21Å; C307-I309 PolarHBondContact O-N 3.14Å; I309-L311 PolarHBondContact O-N 3.35Å; I309-G312 PolarHBondContact O-N 2.93Å; I309-N313 WeakPolarHBondContact CA-O 3.44Å; I309-C315 HydrophobicContact CG2-CB 3.91Å
310	H	89.5	Confident	93	Very high	151 Å²	151	54.1 Å²	54.1	70%	0.699	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.2	176.8	64.5	-82.7	0	0	0	112.9	Q308 G312	Q308-H310 PolarHBondContact O-N 3.38Å; Q308-H310 VanDerWaalsContact O-N 3.08Å; H310-G312 VanDerWaalsContact C-N 3.32Å
311	L	86.9	Confident	93.1	Very high	60 Å²	60	52.7 Å²	52.7	31%	0.314	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-90.9	3.1	174.7	-60.5	172	0	0	0	112.7	Q308 I309 Y332	Q308-L311 HydrophobicContact CB-CD1 3.95Å; Q308-L311 HydrophobicContact CB-CG 4.44Å; Q308-L311 HydrophobicContact CG-CD1 4.44Å; Q308-L311 WeakPolarHBondContact O-CB 3.42Å; Q308-L311 PolarHBondContact O-N 2.85Å; I309-L311 PolarHBondContact O-N 3.35Å; L311-Y332 HydrophobicContact CB-CE2 4.11Å; L311-Y332 HydrophobicContact CD1-CE1 3.82Å; L311-Y332 WeakPolarHBondContact CD1-OH 3.19Å
312	G	86.5	Confident	93.2	Very high	38 Å²	38	52 Å²	52	39%	0.392	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	0.6	177.9	0	0	0	0	0	114.6	I309 H310 L329	I309-G312 PolarHBondContact O-N 2.93Å; H310-G312 VanDerWaalsContact C-N 3.32Å; G312-L329 VanDerWaalsContact O-CD1 3.28Å; G312-L329 WeakPolarHBondContact O-CD1 3.43Å
313	N	90.9	Very high	93.2	Very high	7 Å²	7	58 Å²	58	4%	0.037	30%	0.304	C	S	.	.			trans	-68.7	165.5	168.9	-64.4	-38.6	0	0	0	110.8	C307 I309 L329 C343	C307-N313 WeakPolarHBondContact O-CB 3.42Å; C307-N313 PolarHBondContact O-ND2 2.93Å; C307-N313 VanDerWaalsContact O-ND2 3.17Å; I309-N313 WeakPolarHBondContact CA-O 3.44Å; N313-L329 PolarHBondContact OD1-N 3Å; N313-C343 HydrophobicContact CB-CB 4.47Å; N313-C343 WeakPolarHBondContact ND2-CB 3.16Å
314	M	91.3	Very high	93.2	Very high	106 Å²	106	58.6 Å²	58.6	52%	0.522	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.1	-179.3	-58.3	176.6	60.9	0	0	111.6	I327 L329	M314-I327 HydrophobicContact CB-CB 4.22Å; M314-I327 PolarHBondContact N-O 2.73Å; M314-I327 PolarHBondContact O-N 3.4Å; M314-L329 HydrophobicContact CG-CD1 4.5Å
315	C	96	Very high	93	Very high	24 Å²	24	63 Å²	63	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	168.6	-171.5	0	0	0	0	108.9	C292 G303 N304 C307 I309	C292-C315 VanDerWaalsContact CA-SG 3.59Å; C292-C315 HydrophobicContact CB-CB 3.82Å; C292-C315 WeakPolarHBondContact CB-SG 3.43Å; C292-C315 WeakPolarHBondContact SG-CB 3.29Å; C292-C315 CovalentContact SG-SG 2.03Å; C292-C315 PolarHBondContact SG-SG 3.37Å; G303-C315 VanDerWaalsContact CA-SG 3.57Å; N304-C315 WeakPolarHBondContact OD1-CB 3.46Å; C307-C315 HydrophobicContact CB-CB 4.05Å; C307-C315 VanDerWaalsContact SG-SG 3.65Å; I309-C315 HydrophobicContact CG2-CB 3.91Å
316	Q	94.3	Very high	92.9	Very high	107 Å²	107	59.9 Å²	59.9	50%	0.5	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.9	176.1	-176.2	173.3	-27.8	0	0	109.2	Y324 Q325	Q316-Y324 CarbonylContact O-C 3.56Å; Q316-Y324 WeakPolarHBondContact O-CA 3.35Å; Q316-Q325 PolarHBondContact N-O 3.4Å; Q316-Q325 PolarHBondContact O-N 2.96Å
317	P	95.5	Very high	92.7	Very high	35 Å²	35	62.5 Å²	62.5	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	149.8	179.5	32.6	-33.6	0	0	0	111.7	D290 C292 L319	D290-P317 WeakPolarHBondContact OD1-CB 3.28Å; D290-P317 VanDerWaalsContact OD1-CG 3.29Å; D290-P317 WeakPolarHBondContact OD1-CG 3.45Å; C292-P317 HydrophobicContact CB-CB 4.46Å; C292-P317 VanDerWaalsContact SG-CD 3.52Å; P317-L319 HydrophobicContact CB-CD2 4.46Å; P317-L319 HydrophobicContact CG-CD2 4.08Å
318	I	94.8	Very high	92.3	Very high	99 Å²	99	64 Å²	64	51%	0.508	33%	0.332	S	S	.	.			trans	-91.6	97.5	160.4	-58.8	175.6	0	0	0	106.5	G320 T321 Y323	I318-G320 PolarHBondContact O-N 3.32Å; I318-T321 WeakPolarHBondContact CB-OG1 3.23Å; I318-T321 HydrophobicContact CG2-CG2 3.92Å; I318-T321 PolarHBondContact O-N 2.81Å; I318-T321 VanDerWaalsContact O-N 3.11Å; I318-T321 PolarHBondContact O-OG1 3.07Å; I318-Y323 PolarHBondContact N-O 3.39Å
319	L	94.8	Very high	91.8	Very high	102 Å²	102	65.5 Å²	65.5	53%	0.534	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	136.8	-174.3	-65.2	177	0	0	0	112.1	L288 R289 D290 P317 T321	L288-L319 HydrophobicContact CB-CB 4.21Å; L288-L319 HydrophobicContact CD1-CB 4.27Å; R289-L319 CarbonylContact O-C 3.54Å; R289-L319 WeakPolarHBondContact O-CA 3.42Å; D290-L319 HydrophobicContact CB-CD2 4.17Å; P317-L319 HydrophobicContact CB-CD2 4.46Å; P317-L319 HydrophobicContact CG-CD2 4.08Å; L319-T321 VanDerWaalsContact C-N 3.3Å
320	G	94	Very high	90.8	Very high	13 Å²	13	70.1 Å²	70.1	13%	0.134	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	4.2	-177.4	0	0	0	0	0	114.1	E279 R289 I318	E279-G320 WeakPolarHBondContact CA-O 3.36Å; E279-G320 WeakPolarHBondContact O-CA 3.25Å; R289-G320 PolarHBondContact O-N 3.4Å; I318-G320 PolarHBondContact O-N 3.32Å
321	T	94.5	Very high	90.1	Very high	45 Å²	45	64 Å²	64	28%	0.276	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-130.1	170.3	178.6	77.8	0	0	0	0	111	I318 L319 Y323	I318-T321 WeakPolarHBondContact CB-OG1 3.23Å; I318-T321 HydrophobicContact CG2-CG2 3.92Å; I318-T321 PolarHBondContact O-N 2.81Å; I318-T321 VanDerWaalsContact O-N 3.11Å; I318-T321 PolarHBondContact O-OG1 3.07Å; L319-T321 VanDerWaalsContact C-N 3.3Å; T321-Y323 PolarHBondContact OG1-N 3.18Å
322	D	94	Very high	89.9	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.203	32%	0.323	C	S	.	.	S	Bend	trans	-86.9	7.2	173	-160.9	54.6	0	0	0	113	A291 R295 V296	A291-D322 VanDerWaalsContact CB-C 3.47Å; A291-D322 WeakPolarHBondContact CB-O 3.04Å; R295-D322 VanDerWaalsContact CA-OD1 3.27Å; R295-D322 WeakPolarHBondContact CA-OD1 3.12Å; R295-D322 IonicContact CZ-OD2 2.66Å; R295-D322 VanDerWaalsContact NE-CG 3.3Å; R295-D322 IonicContact NE-OD1 3.62Å; R295-D322 PolarHBondContact NE-OD1 3.4Å; R295-D322 VanDerWaalsContact NE-OD1 3.07Å; R295-D322 IonicContact NE-OD2 2.7Å; R295-D322 PolarHBondContact NE-OD2 2.97Å; R295-D322 IonicContact NH2-OD2 2.74Å; R295-D322 PolarHBondContact NH2-OD2 2.81Å; V296-D322 HydrophobicContact CG2-CB 3.9Å; V296-D322 PolarHBondContact N-OD1 2.93Å
323	Y	94.3	Very high	89.7	Confident	168 Å²	168	64.1 Å²	64.1	66%	0.659	32%	0.32	S	S	*	.			trans	-97.9	144.2	-176.5	-60.5	-72.9	0	0	0	112	I318 T321	I318-Y323 PolarHBondContact N-O 3.39Å; T321-Y323 PolarHBondContact OG1-N 3.18Å
324	Y	95.2	Very high	89.4	Confident	14 Å²	14	67.1 Å²	67.1	6%	0.055	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.9	174.5	64.8	-86.2	0	0	0	109.5	A291 G303 N306 Q316 P341	A291-Y324 HydrophobicContact CB-CD1 3.89Å; G303-Y324 VanDerWaalsContact CA-CE2 3.42Å; N306-Y324 HydrophobicContact CB-CE2 4.31Å; N306-Y324 WeakPolarHBondContact CB-OH 3.38Å; N306-Y324 PolarHBondContact ND2-OH 2.99Å; Q316-Y324 CarbonylContact O-C 3.56Å; Q316-Y324 WeakPolarHBondContact O-CA 3.35Å; Y324-P341 HydrophobicContact CD2-CB 4.41Å; Y324-P341 HydrophobicContact CE2-CB 3.93Å; Y324-P341 HydrophobicContact CE2-CG 4.47Å; Y324-P341 VanDerWaalsContact CE2-O 3.3Å; Y324-P341 WeakPolarHBondContact CE2-O 3.3Å; Y324-P341 WeakPolarHBondContact O-CG 3.45Å; Y324-P341 PolarHBondContact OH-O 2.86Å
325	Q	93.3	Very high	89.1	Confident	119 Å²	119	63.8 Å²	63.8	56%	0.556	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.8	175	-176.7	176	3.9	0	0	109.4	Q316	Q316-Q325 PolarHBondContact N-O 3.4Å; Q316-Q325 PolarHBondContact O-N 2.96Å
326	C	92.8	Very high	88.3	Confident	18 Å²	18	70.5 Å²	70.5	12%	0.122	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.4	171.7	-59.9	0	0	0	0	111	C307 P341 C343	C307-C326 WeakPolarHBondContact CA-SG 2.94Å; C307-C326 HydrophobicContact CB-CB 3.74Å; C307-C326 WeakPolarHBondContact CB-SG 3.48Å; C307-C326 WeakPolarHBondContact SG-CA 3.2Å; C307-C326 WeakPolarHBondContact SG-CB 3.35Å; C307-C326 CovalentContact SG-SG 2.03Å; C307-C326 PolarHBondContact SG-SG 2.68Å; C326-P341 PolarHBondContact SG-O 3.16Å; C326-P341 VanDerWaalsContact SG-O 3.35Å; C326-C343 VanDerWaalsContact CB-SG 3.57Å
327	I	89.3	Confident	87.7	Confident	61 Å²	61	74.2 Å²	74.2	31%	0.313	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	104.5	166.7	-53.4	173.6	0	0	0	106.7	M314 L329	M314-I327 HydrophobicContact CB-CB 4.22Å; M314-I327 PolarHBondContact N-O 2.73Å; M314-I327 PolarHBondContact O-N 3.4Å; I327-L329 HydrophobicContact CG2-CD2 3.92Å
328	C	85.8	Confident	87.1	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.216	37%	0.37	C	S	.	.			trans	-82.2	124.2	178	-47.9	0	0	0	0	109.3	Y332 N342 C343	C328-Y332 VanDerWaalsContact CB-O 3.22Å; C328-Y332 WeakPolarHBondContact CB-O 3.39Å; C328-N342 PolarHBondContact SG-O 2.99Å; C328-C343 WeakPolarHBondContact CA-SG 3.39Å; C328-C343 HydrophobicContact CB-CB 3.86Å; C328-C343 WeakPolarHBondContact CB-SG 3.48Å; C328-C343 PolarHBondContact N-SG 3.47Å; C328-C343 WeakPolarHBondContact SG-CA 3.39Å; C328-C343 WeakPolarHBondContact SG-CB 3.35Å; C328-C343 CovalentContact SG-SG 2.04Å; C328-C343 PolarHBondContact SG-SG 3.38Å
329	L	81.6	Confident	86.5	Confident	69 Å²	69	77 Å²	77	36%	0.361	39%	0.389	S	S	.	.			trans	-104.7	162.2	-179.2	-61	-173.2	0	0	0	110.7	G312 N313 M314 I327 S331 Y332	G312-L329 VanDerWaalsContact O-CD1 3.28Å; G312-L329 WeakPolarHBondContact O-CD1 3.43Å; N313-L329 PolarHBondContact OD1-N 3Å; M314-L329 HydrophobicContact CG-CD1 4.5Å; I327-L329 HydrophobicContact CG2-CD2 3.92Å; L329-S331 PolarHBondContact O-N 3.35Å; L329-S331 VanDerWaalsContact O-N 3.15Å; L329-Y332 WeakPolarHBondContact O-CD2 3.45Å; L329-Y332 PolarHBondContact O-N 3.28Å
330	K	71.8	Confident	86.2	Confident	167 Å²	167	74.3 Å²	74.3	73%	0.726	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-112.1	173.2	-53.4	172.6	-177.7	173	0	112.5
331	S	75	Confident	86.1	Confident	23 Å²	23	76.4 Å²	76.4	16%	0.161	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	19.2	-175.4	-45.7	0	0	0	0	112.5	L329 R346 I347 F392	L329-S331 PolarHBondContact O-N 3.35Å; L329-S331 VanDerWaalsContact O-N 3.15Å; S331-R346 CarbonylContact O-C 3.56Å; S331-R346 WeakPolarHBondContact O-CA 3.49Å; S331-I347 PolarHBondContact O-N 3.01Å; S331-F392 WeakPolarHBondContact CB-O 3.5Å; S331-F392 PolarHBondContact OG-O 2.77Å
332	Y	82.5	Confident	85.9	Confident	30 Å²	30	74.4 Å²	74.4	12%	0.118	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.8	179.8	-65.3	-85.7	0	0	0	112	L311 C328 L329 C343 G345 R346	L311-Y332 HydrophobicContact CB-CE2 4.11Å; L311-Y332 HydrophobicContact CD1-CE1 3.82Å; L311-Y332 WeakPolarHBondContact CD1-OH 3.19Å; C328-Y332 VanDerWaalsContact CB-O 3.22Å; C328-Y332 WeakPolarHBondContact CB-O 3.39Å; L329-Y332 WeakPolarHBondContact O-CD2 3.45Å; L329-Y332 PolarHBondContact O-N 3.28Å; Y332-C343 WeakPolarHBondContact CD1-O 3.41Å; Y332-G345 CarbonylContact C-O 3.59Å; Y332-G345 VanDerWaalsContact CA-O 3.29Å; Y332-G345 WeakPolarHBondContact CA-O 2.94Å; Y332-R346 HydrophobicContact CD1-CG 4.44Å; Y332-R346 HydrophobicContact CE1-CG 4.39Å
333	Q	82.6	Confident	85.8	Confident	69 Å²	69	72.6 Å²	72.6	32%	0.322	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.2	176.3	66.1	177.9	6.8	0	0	111.1	G345 I347	Q333-G345 PolarHBondContact N-O 2.97Å; Q333-G345 CarbonylContact O-C 3.56Å; Q333-G345 WeakPolarHBondContact O-CA 3.46Å; Q333-G345 PolarHBondContact O-N 2.93Å; Q333-I347 HydrophobicContact CB-CD1 4.31Å; Q333-I347 HydrophobicContact CB-CG1 3.91Å; Q333-I347 HydrophobicContact CG-CG1 4.08Å
334	P	83.9	Confident	85.5	Confident	70 Å²	70	68.2 Å²	68.2	46%	0.455	35%	0.347	S	S	.	.			trans	-68.7	141.7	175.1	28.5	-34.7	0	0	0	111.6	N342	P334-N342 VanDerWaalsContact CA-O 3.29Å; P334-N342 WeakPolarHBondContact CA-O 3.32Å; P334-N342 WeakPolarHBondContact CB-O 3.23Å
335	L	84.3	Confident	84.8	Confident	37 Å²	37	67.7 Å²	67.7	19%	0.194	35%	0.347	C	S	.	.			trans	-87.2	118.4	166.6	-65.7	-179.8	0	0	0	109.2	Y337 T338 N342 F344	L335-Y337 VanDerWaalsContact C-N 3.28Å; L335-Y337 HydrophobicContact CB-CD1 4.01Å; L335-Y337 HydrophobicContact CB-CE1 3.6Å; L335-Y337 HydrophobicContact CD1-CE1 3.66Å; L335-Y337 WeakPolarHBondContact CD1-OH 3.46Å; L335-Y337 HydrophobicContact CD2-CE1 3.95Å; L335-Y337 HydrophobicContact CG-CE1 3.91Å; L335-Y337 PolarHBondContact O-N 3.13Å; L335-T338 PolarHBondContact O-OG1 3.01Å; L335-N342 PolarHBondContact N-OD1 3.17Å; L335-N342 PolarHBondContact O-ND2 3.01Å; L335-N342 VanDerWaalsContact O-ND2 3.13Å; L335-F344 HydrophobicContact CD1-CB 3.43Å; L335-F344 VanDerWaalsContact CD1-CB 3.43Å; L335-F344 HydrophobicContact CG-CB 3.94Å
336	L	80.8	Confident	84.1	Confident	165 Å²	165	67.7 Å²	67.7	86%	0.864	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.4	-173.2	-59.8	177.6	0	0	0	114.3	T338	L336-T338 VanDerWaalsContact C-N 3.33Å
337	Y	81.1	Confident	83.2	Confident	184 Å²	184	68.5 Å²	68.5	72%	0.722	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.7	178.5	62	-102.6	0	0	0	113.3	L335	L335-Y337 VanDerWaalsContact C-N 3.28Å; L335-Y337 HydrophobicContact CB-CD1 4.01Å; L335-Y337 HydrophobicContact CB-CE1 3.6Å; L335-Y337 HydrophobicContact CD1-CE1 3.66Å; L335-Y337 WeakPolarHBondContact CD1-OH 3.46Å; L335-Y337 HydrophobicContact CD2-CE1 3.95Å; L335-Y337 HydrophobicContact CG-CE1 3.91Å; L335-Y337 PolarHBondContact O-N 3.13Å
338	T	81.9	Confident	82.4	Confident	44 Å²	44	67.3 Å²	67.3	27%	0.27	34%	0.339	S	S	.	.	S	Bend	trans	-96	138.6	173.4	60.4	0	0	0	0	109.1	L335 L336 E340 N342	L335-T338 PolarHBondContact O-OG1 3.01Å; L336-T338 VanDerWaalsContact C-N 3.33Å; T338-E340 PolarHBondContact O-N 3.06Å; T338-E340 PolarHBondContact OG1-O 2.78Å; T338-N342 PolarHBondContact OG1-ND2 3.22Å
339	T	84	Confident	81.8	Confident	148 Å²	148	66.9 Å²	66.9	91%	0.908	34%	0.335	S	S	*	.	S	Bend	trans	-69.5	-21.2	176.8	51	0	0	0	0	113.2
340	E	88.6	Confident	81.3	Confident	46 Å²	46	64.9 Å²	64.9	22%	0.215	33%	0.327	C	S	.	.	S	Bend	trans	-92.7	141.9	-177.8	-62.8	-165.5	143	0	0	112.3	R295 N306 T338 N342	R295-E340 IonicContact CZ-OE1 2.78Å; R295-E340 IonicContact NH1-OE1 3.59Å; R295-E340 PolarHBondContact NH1-OE1 2.88Å; R295-E340 IonicContact NH1-OE2 3.8Å; R295-E340 IonicContact NH2-OE1 3.52Å; R295-E340 PolarHBondContact NH2-OE1 3.49Å; N306-E340 PolarHBondContact ND2-OE2 3.4Å; T338-E340 PolarHBondContact O-N 3.06Å; T338-E340 PolarHBondContact OG1-O 2.78Å; E340-N342 PolarHBondContact O-N 3.25Å; E340-N342 PolarHBondContact O-ND2 3.45Å
341	P	90.5	Very high	81.2	Confident	57 Å²	57	62.8 Å²	62.8	37%	0.37	32%	0.32	S	S	.	.			trans	-57.5	130.6	169.9	-25.2	37.1	0	0	0	110.5	N306 Y324 C326	N306-P341 WeakPolarHBondContact CB-O 3.32Å; Y324-P341 HydrophobicContact CD2-CB 4.41Å; Y324-P341 HydrophobicContact CE2-CB 3.93Å; Y324-P341 HydrophobicContact CE2-CG 4.47Å; Y324-P341 VanDerWaalsContact CE2-O 3.3Å; Y324-P341 WeakPolarHBondContact CE2-O 3.3Å; Y324-P341 WeakPolarHBondContact O-CG 3.45Å; Y324-P341 PolarHBondContact OH-O 2.86Å; C326-P341 PolarHBondContact SG-O 3.16Å; C326-P341 VanDerWaalsContact SG-O 3.35Å
342	N	91.1	Very high	80.3	Confident	4 Å²	4	64 Å²	64	2%	0.021	33%	0.326	C	S	.	.			trans	-151.7	168.5	-174.9	69.1	91.2	0	0	0	111.4	N306 C328 P334 L335 T338 E340 F344	N306-N342 HydrophobicContact CB-CB 4.46Å; N306-N342 CarbonylContact O-C 3.54Å; N306-N342 VanDerWaalsContact O-CA 3.28Å; N306-N342 WeakPolarHBondContact O-CA 3.22Å; C328-N342 PolarHBondContact SG-O 2.99Å; P334-N342 VanDerWaalsContact CA-O 3.29Å; P334-N342 WeakPolarHBondContact CA-O 3.32Å; P334-N342 WeakPolarHBondContact CB-O 3.23Å; L335-N342 PolarHBondContact N-OD1 3.17Å; L335-N342 PolarHBondContact O-ND2 3.01Å; L335-N342 VanDerWaalsContact O-ND2 3.13Å; T338-N342 PolarHBondContact OG1-ND2 3.22Å; E340-N342 PolarHBondContact O-N 3.25Å; E340-N342 PolarHBondContact O-ND2 3.45Å; N342-F344 HydrophobicContact CB-CD1 4.33Å; N342-F344 HydrophobicContact CB-CD2 3.57Å; N342-F344 HydrophobicContact CB-CE1 4.42Å; N342-F344 HydrophobicContact CB-CE2 3.66Å; N342-F344 HydrophobicContact CB-CG 3.95Å; N342-F344 HydrophobicContact CB-CZ 4.11Å; N342-F344 WeakPolarHBondContact OD1-CB 3.23Å; N342-F344 WeakPolarHBondContact OD1-CD2 3.17Å; N342-F344 PolarHBondContact OD1-N 3.1Å; N342-F344 VanDerWaalsContact OD1-N 3.1Å
343	C	90.6	Very high	78.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.			trans	-127.5	43.2	169.3	-65.4	0	0	0	0	111.3	N306 C307 Q308 N313 C326 C328 Y332	N306-C343 PolarHBondContact O-N 3.1Å; C307-C343 WeakPolarHBondContact O-CB 3.5Å; Q308-C343 PolarHBondContact OE1-O 2.72Å; N313-C343 HydrophobicContact CB-CB 4.47Å; N313-C343 WeakPolarHBondContact ND2-CB 3.16Å; C326-C343 VanDerWaalsContact CB-SG 3.57Å; C328-C343 WeakPolarHBondContact CA-SG 3.39Å; C328-C343 HydrophobicContact CB-CB 3.86Å; C328-C343 WeakPolarHBondContact CB-SG 3.48Å; C328-C343 PolarHBondContact N-SG 3.47Å; C328-C343 WeakPolarHBondContact SG-CA 3.39Å; C328-C343 WeakPolarHBondContact SG-CB 3.35Å; C328-C343 CovalentContact SG-SG 2.04Å; C328-C343 PolarHBondContact SG-SG 3.38Å; Y332-C343 WeakPolarHBondContact CD1-O 3.41Å
344	F	88	Confident	77.2	Confident	75 Å²	75	65.2 Å²	65.2	33%	0.329	33%	0.334	S	S	.	.			trans	-80	-21.7	-176.1	-60.7	-31.4	0	0	0	113.7	N306 Q308 L335 N342	N306-F344 HydrophobicContact CB-CZ 4.22Å; N306-F344 VanDerWaalsContact O-CE1 3.26Å; N306-F344 WeakPolarHBondContact O-CE1 2.92Å; N306-F344 WeakPolarHBondContact OD1-CZ 3.43Å; Q308-F344 HydrophobicContact CG-CD1 3.98Å; Q308-F344 HydrophobicContact CG-CE1 4.12Å; L335-F344 HydrophobicContact CD1-CB 3.43Å; L335-F344 VanDerWaalsContact CD1-CB 3.43Å; L335-F344 HydrophobicContact CG-CB 3.94Å; N342-F344 HydrophobicContact CB-CD1 4.33Å; N342-F344 HydrophobicContact CB-CD2 3.57Å; N342-F344 HydrophobicContact CB-CE1 4.42Å; N342-F344 HydrophobicContact CB-CE2 3.66Å; N342-F344 HydrophobicContact CB-CG 3.95Å; N342-F344 HydrophobicContact CB-CZ 4.11Å; N342-F344 WeakPolarHBondContact OD1-CB 3.23Å; N342-F344 WeakPolarHBondContact OD1-CD2 3.17Å; N342-F344 PolarHBondContact OD1-N 3.1Å; N342-F344 VanDerWaalsContact OD1-N 3.1Å
345	G	81.6	Confident	75.4	Confident	4 Å²	4	64.9 Å²	64.9	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	149.4	-179.7	0	0	0	0	0	111.1	Y332 Q333	Y332-G345 CarbonylContact C-O 3.59Å; Y332-G345 VanDerWaalsContact CA-O 3.29Å; Y332-G345 WeakPolarHBondContact CA-O 2.94Å; Q333-G345 PolarHBondContact N-O 2.97Å; Q333-G345 CarbonylContact O-C 3.56Å; Q333-G345 WeakPolarHBondContact O-CA 3.46Å; Q333-G345 PolarHBondContact O-N 2.93Å
346	R	77.6	Confident	73.4	Confident	118 Å²	118	67.6 Å²	67.6	45%	0.445	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.2	172.2	-62.1	-173	-175.7	-179.6	-2.1	110.1	S331 Y332 F392	S331-R346 CarbonylContact O-C 3.56Å; S331-R346 WeakPolarHBondContact O-CA 3.49Å; Y332-R346 HydrophobicContact CD1-CG 4.44Å; Y332-R346 HydrophobicContact CE1-CG 4.39Å; R346-F392 HydrophobicContact CB-CD2 3.89Å; R346-F392 HydrophobicContact CB-CE2 4.37Å; R346-F392 HydrophobicContact CB-CG 4.46Å; R346-F392 HydrophobicContact CG-CD2 4.4Å
347	I	74.4	Confident	71.7	Confident	36 Å²	36	65 Å²	65	19%	0.185	33%	0.332	C	S	.	.			trans	-78.8	121.1	172.4	-61.3	171.2	0	0	0	106.6	S331 Q333 P349 I353	S331-I347 PolarHBondContact O-N 3.01Å; Q333-I347 HydrophobicContact CB-CD1 4.31Å; Q333-I347 HydrophobicContact CB-CG1 3.91Å; Q333-I347 HydrophobicContact CG-CG1 4.08Å; I347-P349 WeakPolarHBondContact O-CD 3.38Å; I347-I353 HydrophobicContact CG1-CD1 4.47Å; I347-I353 HydrophobicContact CG2-CD1 3.83Å
348	N	72.1	Confident	70	Confident	36 Å²	36	62.1 Å²	62.1	19%	0.193	33%	0.329	C	S	.	.			trans	-74.9	113.3	169.1	-178.8	-13.4	0	0	0	108.2	C350 H351 V388 F392	N348-C350 PolarHBondContact O-N 3.5Å; N348-C350 VanDerWaalsContact O-N 3.11Å; N348-C350 WeakPolarHBondContact OD1-CB 3.19Å; N348-C350 PolarHBondContact OD1-N 3.2Å; N348-H351 HydrophobicContact CB-CB 4.15Å; N348-H351 PolarHBondContact ND2-CD2 3.38Å; N348-H351 VanDerWaalsContact ND2-CD2 3.3Å; N348-H351 PolarHBondContact ND2-NE2 2.97Å; N348-H351 PolarHBondContact O-N 2.9Å; N348-V388 WeakPolarHBondContact OD1-CG1 3.28Å; N348-F392 HydrophobicContact CB-CD1 4.24Å; N348-F392 HydrophobicContact CB-CE1 4.17Å
349	P	73	Confident	68.1	Low	22 Å²	22	63.7 Å²	63.7	14%	0.143	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.1	178.8	23.5	-34.1	0	0	0	114.2	I347 G377 L378 V388 A395	I347-P349 WeakPolarHBondContact O-CD 3.38Å; P349-G377 CarbonylContact O-C 3.57Å; P349-G377 WeakPolarHBondContact O-CA 3.43Å; P349-L378 PolarHBondContact O-N 3.07Å; P349-V388 HydrophobicContact CG-CB 4.48Å; P349-V388 HydrophobicContact CG-CG1 3.66Å; P349-A395 HydrophobicContact CB-CB 3.84Å; P349-A395 HydrophobicContact CG-CB 3.73Å
350	C	72.6	Confident	66.1	Low	27 Å²	27	62.8 Å²	62.8	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.5	171.4	-66.7	0	0	0	0	113.6	N348 C386 V388	N348-C350 PolarHBondContact O-N 3.5Å; N348-C350 VanDerWaalsContact O-N 3.11Å; N348-C350 WeakPolarHBondContact OD1-CB 3.19Å; N348-C350 PolarHBondContact OD1-N 3.2Å; C350-C386 WeakPolarHBondContact CA-SG 3.25Å; C350-C386 HydrophobicContact CB-CB 3.61Å; C350-C386 WeakPolarHBondContact CB-SG 3.21Å; C350-C386 WeakPolarHBondContact SG-CB 3.27Å; C350-C386 CovalentContact SG-SG 2.02Å; C350-C386 PolarHBondContact SG-SG 3.08Å; C350-V388 HydrophobicContact CB-CG1 4.05Å; C350-V388 WeakPolarHBondContact SG-CG1 3.26Å
351	H	70	Confident	63.9	Low	124 Å²	124	68.2 Å²	68.2	57%	0.574	35%	0.354	S	S	*	.	S	Bend	trans	-86.5	116.1	174.6	-71.5	-166.5	0	0	0	108.4	N348 I353	N348-H351 HydrophobicContact CB-CB 4.15Å; N348-H351 PolarHBondContact ND2-CD2 3.38Å; N348-H351 VanDerWaalsContact ND2-CD2 3.3Å; N348-H351 PolarHBondContact ND2-NE2 2.97Å; N348-H351 PolarHBondContact O-N 2.9Å; H351-I353 PolarHBondContact O-N 3.44Å; H351-I353 VanDerWaalsContact O-N 3.12Å
352	T	55.7	Low	61.3	Low	47 Å²	47	69.2 Å²	69.2	29%	0.288	36%	0.362	S	S	.	.			trans	-73.8	103.9	172.4	-55	0	0	0	0	107.7	H354 H375	T352-H354 PolarHBondContact O-N 3.29Å; T352-H375 WeakPolarHBondContact CG2-ND1 3.25Å
353	I	52.3	Low	58.8	Low	44 Å²	44	76.7 Å²	76.7	23%	0.226	40%	0.402	C	S	.	.			trans	-73.4	113.4	171.6	-60	169.8	0	0	0	107	I347 H351 L358	I347-I353 HydrophobicContact CG1-CD1 4.47Å; I347-I353 HydrophobicContact CG2-CD1 3.83Å; H351-I353 PolarHBondContact O-N 3.44Å; H351-I353 VanDerWaalsContact O-N 3.12Å; I353-L358 HydrophobicContact CG2-CD1 3.95Å; I353-L358 HydrophobicContact CG2-CG 4.09Å
354	H	46.8	Very low	56.3	Low	82 Å²	82	85 Å²	85	38%	0.38	44%	0.441	S	S	.	.			trans	-74	128.4	165.1	-74	-87.1	0	0	0	107.4	T352 T356 D357	T352-H354 PolarHBondContact O-N 3.29Å; H354-T356 PolarHBondContact O-N 3.37Å; H354-D357 WeakPolarHBondContact O-CB 3.17Å; H354-D357 PolarHBondContact O-N 3.15Å
355	I	45.9	Very low	54	Low	62 Å²	62	89.7 Å²	89.7	32%	0.318	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.2	176.3	-65.7	-178.7	0	0	0	111.3	D357 L358 L359 T372	I355-D357 PolarHBondContact O-N 2.89Å; I355-L358 PolarHBondContact O-N 3.39Å; I355-L359 HydrophobicContact CG2-CD1 3.88Å; I355-L359 HydrophobicContact CG2-CG 4.34Å; I355-L359 PolarHBondContact O-N 2.7Å; I355-T372 WeakPolarHBondContact CD1-O 3.47Å
356	T	42.8	Very low	52	Low	95 Å²	95	97.2 Å²	97.2	58%	0.583	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-55.3	-34.2	172.3	-26	0	0	0	0	112.8	H354 L358 L359 I360	H354-T356 PolarHBondContact O-N 3.37Å; T356-L358 VanDerWaalsContact C-N 3.28Å; T356-L358 PolarHBondContact O-N 3.48Å; T356-L359 PolarHBondContact O-N 2.87Å; T356-I360 WeakPolarHBondContact O-CG1 3.35Å
357	D	44.5	Very low	50.2	Low	109 Å²	109	99.9 Å²	99.9	58%	0.583	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-74.9	-17.9	179.8	-61.4	-29.7	0	0	0	112.8	H354 I355	H354-D357 WeakPolarHBondContact O-CB 3.17Å; H354-D357 PolarHBondContact O-N 3.15Å; I355-D357 PolarHBondContact O-N 2.89Å
358	L	46.5	Very low	48.5	Very low	124 Å²	124	103.4 Å²	103.4	65%	0.649	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-90.7	-14.9	177.9	-66.8	170.2	0	0	0	113.1	I353 I355 T356	I353-L358 HydrophobicContact CG2-CD1 3.95Å; I353-L358 HydrophobicContact CG2-CG 4.09Å; I355-L358 PolarHBondContact O-N 3.39Å; T356-L358 VanDerWaalsContact C-N 3.28Å; T356-L358 PolarHBondContact O-N 3.48Å
359	L	41.8	Very low	46.6	Very low	78 Å²	78	108.5 Å²	108.5	41%	0.408	57%	0.567	S	S	.	*	S	Bend	trans	-109.2	6.4	-172.1	-69.7	177.4	0	0	0	114.5	I355 T356 D361 S362 I368	I355-L359 HydrophobicContact CG2-CD1 3.88Å; I355-L359 HydrophobicContact CG2-CG 4.34Å; I355-L359 PolarHBondContact O-N 2.7Å; T356-L359 PolarHBondContact O-N 2.87Å; L359-D361 PolarHBondContact O-N 3.39Å; L359-D361 VanDerWaalsContact O-N 3.12Å; L359-S362 PolarHBondContact O-N 2.87Å; L359-I368 HydrophobicContact CD1-CD1 4.49Å
360	I	41	Very low	45.1	Very low	128 Å²	128	113.1 Å²	113.1	66%	0.656	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-17.6	-177.9	-64.4	-179.9	0	0	0	112.8	T356	T356-I360 WeakPolarHBondContact O-CG1 3.35Å
361	D	43	Very low	43.2	Very low	161 Å²	161	116 Å²	116	86%	0.861	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	10.5	179.8	-76	-20.4	0	0	0	116	L359 N363	L359-D361 PolarHBondContact O-N 3.39Å; L359-D361 VanDerWaalsContact O-N 3.12Å; D361-N363 PolarHBondContact O-N 3.36Å
362	S	36.7	Very low	41.5	Very low	78 Å²	78	114.8 Å²	114.8	55%	0.545	62%	0.619	S	S	.	*			trans	-98.6	91.4	170.5	67	0	0	0	0	111.4	L359	L359-S362 PolarHBondContact O-N 2.87Å
363	N	37	Very low	40.5	Very low	160 Å²	160	116 Å²	116	86%	0.856	62%	0.623	S	S	*	*			trans	-48.1	147.5	157.4	-95	-32	0	0	0	111.3	D361	D361-N363 PolarHBondContact O-N 3.36Å
364	E	38.6	Very low	40	Very low	174 Å²	174	118.4 Å²	118.4	81%	0.813	64%	0.635	S	S	*	*	S	Bend	trans	95	91.8	173.8	-64.1	-167.2	138.4	0	0	117.8	Q366	E364-Q366 VanDerWaalsContact C-N 3.26Å; E364-Q366 PolarHBondContact O-N 3.23Å
365	N	41	Very low	39.7	Very low	175 Å²	175	119.6 Å²	119.6	94%	0.936	64%	0.641	S	S	*	*				37.8	36.2	125.6	-76.4	-2.5	0	0	0	119.7
366	Q	39.7	Very low	39.9	Very low	162 Å²	162	126 Å²	126	76%	0.757	66%	0.661	S	S	*	*			trans	-102.1	112.8	158.8	-66.9	-165	-2.9	0	0	108.6	E364 I368	E364-Q366 VanDerWaalsContact C-N 3.26Å; E364-Q366 PolarHBondContact O-N 3.23Å; Q366-I368 HydrophobicContact CB-CG1 4.25Å; Q366-I368 PolarHBondContact O-N 3.24Å
367	N	38.4	Very low	40.9	Very low	173 Å²	173	122.1 Å²	122.1	93%	0.925	64%	0.64	S	S	*	*			trans	-61.5	75.3	167.4	-78.1	-29.4	0	0	0	109.1	H369	N367-H369 PolarHBondContact O-N 3.17Å
368	I	38.8	Very low	42.2	Very low	110 Å²	110	119 Å²	119	56%	0.564	62%	0.623	S	S	*	*			trans	-77.3	108.8	168.9	-58.6	173.7	0	0	0	105.6	L359 Q366 P370	L359-I368 HydrophobicContact CD1-CD1 4.49Å; Q366-I368 HydrophobicContact CB-CG1 4.25Å; Q366-I368 PolarHBondContact O-N 3.24Å; I368-P370 WeakPolarHBondContact O-CD 3.28Å
369	H	32.6	Very low	43.7	Very low	143 Å²	143	116.2 Å²	116.2	66%	0.662	61%	0.611	S	S	*	*			trans	-53.5	120.7	175.7	-153.5	-90.2	0	0	0	108.8	N367 S371	N367-H369 PolarHBondContact O-N 3.17Å; H369-S371 PolarHBondContact ND1-OG 3.48Å; H369-S371 PolarHBondContact O-N 3.22Å
370	P	41.2	Very low	45.4	Very low	120 Å²	120	113.7 Å²	113.7	78%	0.779	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	14.3	-168	-20.3	31.1	0	0	0	116.6	I368	I368-P370 WeakPolarHBondContact O-CD 3.28Å
371	S	32.3	Very low	47.2	Very low	88 Å²	88	111.3 Å²	111.3	62%	0.615	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	3.1	-167.4	52.3	0	0	0	0	115.5	H369	H369-S371 PolarHBondContact ND1-OG 3.48Å; H369-S371 PolarHBondContact O-N 3.22Å
372	T	34.2	Very low	48.8	Very low	97 Å²	97	107.4 Å²	107.4	60%	0.595	57%	0.567	S	S	*	*			trans	-105.5	61.4	175.9	0.7	0	0	0	0	111	I355 I374	I355-T372 WeakPolarHBondContact CD1-O 3.47Å; T372-I374 VanDerWaalsContact C-N 3.34Å; T372-I374 PolarHBondContact O-N 3Å
373	I	36.1	Very low	50.5	Low	72 Å²	72	107 Å²	107	37%	0.369	58%	0.575	S	S	.	*			trans	-72	96.4	162.8	-58.6	170.5	0	0	0	106.3	H375	I373-H375 PolarHBondContact O-N 3.47Å; I373-H375 VanDerWaalsContact O-N 3.15Å
374	I	40.4	Very low	52.4	Low	95 Å²	95	100 Å²	100	49%	0.487	54%	0.542	S	S	.	.			trans	-76.8	98.5	165.6	-55	175.6	0	0	0	105.7	T372 W376	T372-I374 VanDerWaalsContact C-N 3.34Å; T372-I374 PolarHBondContact O-N 3Å; I374-W376 HydrophobicContact CG2-CG 4.4Å; I374-W376 VanDerWaalsContact CG2-NE1 3.34Å; I374-W376 PolarHBondContact O-N 3.24Å
375	H	41.4	Very low	54.5	Low	107 Å²	107	98.5 Å²	98.5	50%	0.495	53%	0.534	S	S	.	.			trans	-64.7	100.6	171.4	-70.6	-77.4	0	0	0	108.8	T352 I373 G377	T352-H375 WeakPolarHBondContact CG2-ND1 3.25Å; I373-H375 PolarHBondContact O-N 3.47Å; I373-H375 VanDerWaalsContact O-N 3.15Å; H375-G377 PolarHBondContact O-N 3.22Å
376	W	49.4	Very low	56.5	Low	197 Å²	197	91.7 Å²	91.7	75%	0.746	50%	0.5	S	S	*	.			trans	-83.1	12.8	169.9	-77.7	90.6	0	0	0	112.9	I374	I374-W376 HydrophobicContact CG2-CG 4.4Å; I374-W376 VanDerWaalsContact CG2-NE1 3.34Å; I374-W376 PolarHBondContact O-N 3.24Å
377	G	65	Low	58.6	Low	13 Å²	13	86.6 Å²	86.6	13%	0.134	48%	0.48	C	S	.	.	S	Bend	trans	-120	145	-176.8	0	0	0	0	0	113.6	P349 H375 T379	P349-G377 CarbonylContact O-C 3.57Å; P349-G377 WeakPolarHBondContact O-CA 3.43Å; H375-G377 PolarHBondContact O-N 3.22Å; G377-T379 PolarHBondContact O-N 2.83Å
378	L	72.1	Confident	60.6	Low	45 Å²	45	80.8 Å²	80.8	24%	0.236	45%	0.451	C	S	.	.			trans	-70.6	115	170.7	-174.3	73.8	0	0	0	109	P349 A395 T396 N413	P349-L378 PolarHBondContact O-N 3.07Å; L378-A395 HydrophobicContact CB-CB 4.1Å; L378-A395 HydrophobicContact CD2-CB 3.72Å; L378-T396 VanDerWaalsContact CD2-C 3.47Å; L378-T396 VanDerWaalsContact CD2-CA 3.47Å; L378-N413 WeakPolarHBondContact CD1-OD1 3.5Å
379	T	76.5	Confident	62.3	Low	64 Å²	64	77.1 Å²	77.1	39%	0.393	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-101	117.8	176.5	-56.2	0	0	0	0	109.9	G377 L381	G377-T379 PolarHBondContact O-N 2.83Å; T379-L381 HydrophobicContact CG2-CD2 4.47Å
380	C	77.8	Confident	64.1	Low	25 Å²	25	79.2 Å²	79.2	17%	0.169	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-87.7	127.5	176.2	-54.5	0	0	0	0	111.1	G384 C386 C397	C380-G384 WeakPolarHBondContact CB-O 3.39Å; C380-C386 WeakPolarHBondContact SG-CA 3.48Å; C380-C386 WeakPolarHBondContact SG-CB 3.12Å; C380-C386 PolarHBondContact SG-N 3.12Å; C380-C386 VanDerWaalsContact SG-N 3.42Å; C380-C397 WeakPolarHBondContact CA-SG 3.19Å; C380-C397 HydrophobicContact CB-CB 3.81Å; C380-C397 WeakPolarHBondContact CB-SG 3.44Å; C380-C397 WeakPolarHBondContact SG-CA 3.5Å; C380-C397 WeakPolarHBondContact SG-CB 3.36Å; C380-C397 CovalentContact SG-SG 2.03Å; C380-C397 PolarHBondContact SG-SG 3.48Å
381	L	79.7	Confident	65.4	Low	78 Å²	78	77 Å²	77	41%	0.408	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-92.1	169.2	-179	-57.3	179	0	0	0	111.2	T379 G383 G384 N413 E415	T379-L381 HydrophobicContact CG2-CD2 4.47Å; L381-G383 PolarHBondContact O-N 2.83Å; L381-G384 PolarHBondContact O-N 3.3Å; L381-N413 WeakPolarHBondContact CB-O 3.32Å; L381-N413 PolarHBondContact N-O 3.1Å; L381-E415 HydrophobicContact CD1-CB 4.02Å
382	N	76.1	Confident	67.3	Low	79 Å²	79	75.6 Å²	75.6	42%	0.422	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	28.9	169.9	-58.9	-43.8	0	0	0	115.4	Y409 C414	N382-Y409 HydrophobicContact CB-CD1 3.71Å; N382-Y409 HydrophobicContact CB-CD2 3.93Å; N382-Y409 HydrophobicContact CB-CE1 3.61Å; N382-Y409 HydrophobicContact CB-CE2 3.83Å; N382-Y409 HydrophobicContact CB-CG 3.88Å; N382-Y409 VanDerWaalsContact CG-CE1 3.44Å; N382-Y409 VanDerWaalsContact ND2-CD1 3.33Å; N382-Y409 WeakPolarHBondContact ND2-CD1 3.3Å; N382-Y409 WeakPolarHBondContact ND2-CE1 3.49Å; N382-C414 PolarHBondContact ND2-O 2.69Å
383	G	71.7	Confident	68.9	Low	70 Å²	70	74.1 Å²	74.1	72%	0.722	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	12.4	-177.9	0	0	0	0	0	114.6	L381	L381-G383 PolarHBondContact O-N 2.83Å
384	G	78.2	Confident	70.8	Confident	14 Å²	14	77.1 Å²	77.1	14%	0.144	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-63.8	145.4	170.5	0	0	0	0	0	112.2	C380 L381 V398	C380-G384 WeakPolarHBondContact CB-O 3.39Å; L381-G384 PolarHBondContact O-N 3.3Å; G384-V398 CarbonylContact C-O 3.45Å; G384-V398 WeakPolarHBondContact CA-O 3.24Å
385	Q	82.4	Confident	72.6	Confident	141 Å²	141	74.2 Å²	74.2	66%	0.659	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.6	178.3	-175.1	175.5	-8.5	0	0	110.1	V398	Q385-V398 PolarHBondContact N-O 3.27Å; Q385-V398 PolarHBondContact O-N 3.09Å
386	C	83.1	Confident	74.6	Confident	32 Å²	32	73 Å²	73	22%	0.216	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129	174.4	-169.2	0	0	0	0	110	C350 C380	C350-C386 WeakPolarHBondContact CA-SG 3.25Å; C350-C386 HydrophobicContact CB-CB 3.61Å; C350-C386 WeakPolarHBondContact CB-SG 3.21Å; C350-C386 WeakPolarHBondContact SG-CB 3.27Å; C350-C386 CovalentContact SG-SG 2.02Å; C350-C386 PolarHBondContact SG-SG 3.08Å; C380-C386 WeakPolarHBondContact SG-CA 3.48Å; C380-C386 WeakPolarHBondContact SG-CB 3.12Å; C380-C386 PolarHBondContact SG-N 3.12Å; C380-C386 VanDerWaalsContact SG-N 3.42Å
387	V	83.2	Confident	76.2	Confident	56 Å²	56	64.2 Å²	64.2	34%	0.339	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.6	174.8	-60.9	0	0	0	0	109.7	A395 T396 V398	V387-A395 WeakPolarHBondContact O-CA 3.43Å; V387-T396 HydrophobicContact CG2-CG2 3.52Å; V387-T396 PolarHBondContact N-O 3.05Å; V387-T396 PolarHBondContact O-N 3.31Å; V387-V398 HydrophobicContact CB-CG2 4.44Å; V387-V398 HydrophobicContact CG1-CG2 3.82Å; V387-V398 HydrophobicContact CG2-CG2 3.71Å
388	V	80.8	Confident	77.1	Confident	51 Å²	51	67.2 Å²	67.2	31%	0.309	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.3	-178	-63.3	0	0	0	0	111.8	N348 P349 C350 F392 H394 A395	N348-V388 WeakPolarHBondContact OD1-CG1 3.28Å; P349-V388 HydrophobicContact CG-CB 4.48Å; P349-V388 HydrophobicContact CG-CG1 3.66Å; C350-V388 HydrophobicContact CB-CG1 4.05Å; C350-V388 WeakPolarHBondContact SG-CG1 3.26Å; V388-F392 HydrophobicContact CB-CD1 4.18Å; V388-F392 HydrophobicContact CG1-CD1 4.48Å; V388-F392 HydrophobicContact CG2-CD1 3.86Å; V388-F392 HydrophobicContact CG2-CE1 3.82Å; V388-H394 WeakPolarHBondContact CA-O 3.4Å; V388-A395 HydrophobicContact CG1-CB 4.21Å
389	S	75.1	Confident	77.5	Confident	33 Å²	33	66 Å²	66	23%	0.231	38%	0.382	C	S	.	.			trans	-66.8	156.8	164.7	62.7	0	0	0	0	111	D391 F392 T393 H394	S389-D391 WeakPolarHBondContact CB-OD1 3.25Å; S389-D391 PolarHBondContact O-N 3.08Å; S389-D391 PolarHBondContact OG-OD1 3.42Å; S389-F392 PolarHBondContact O-N 2.9Å; S389-T393 PolarHBondContact OG-N 2.73Å; S389-H394 PolarHBondContact N-O 3.2Å; S389-H394 PolarHBondContact OG-N 3.27Å; S389-H394 PolarHBondContact OG-O 3.17Å
390	E	70.6	Confident	77.7	Confident	187 Å²	187	64.6 Å²	64.6	87%	0.874	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.2	-179.7	-173.7	177.7	-178	0	0	113.2
391	D	66.7	Low	77.5	Confident	73 Å²	73	67.2 Å²	67.2	39%	0.39	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.2	177.7	65.4	-17	0	0	0	113.9	S389 T393	S389-D391 WeakPolarHBondContact CB-OD1 3.25Å; S389-D391 PolarHBondContact O-N 3.08Å; S389-D391 PolarHBondContact OG-OD1 3.42Å; D391-T393 HydrophobicContact CB-CG2 4.17Å; D391-T393 PolarHBondContact O-N 3.07Å; D391-T393 VanDerWaalsContact O-N 3.17Å; D391-T393 PolarHBondContact OD1-N 3.29Å; D391-T393 PolarHBondContact OD1-OG1 3.3Å; D391-T393 WeakPolarHBondContact OD2-CB 3.28Å; D391-T393 WeakPolarHBondContact OD2-CG2 3.33Å; D391-T393 PolarHBondContact OD2-OG1 2.9Å
392	F	72.4	Confident	77.1	Confident	58 Å²	58	64.4 Å²	64.4	25%	0.254	38%	0.378	S	S	.	.	S	Bend	trans	56.2	19.6	-175.1	-57.2	-81.4	0	0	0	114.7	S331 R346 N348 V388 S389	S331-F392 WeakPolarHBondContact CB-O 3.5Å; S331-F392 PolarHBondContact OG-O 2.77Å; R346-F392 HydrophobicContact CB-CD2 3.89Å; R346-F392 HydrophobicContact CB-CE2 4.37Å; R346-F392 HydrophobicContact CB-CG 4.46Å; R346-F392 HydrophobicContact CG-CD2 4.4Å; N348-F392 HydrophobicContact CB-CD1 4.24Å; N348-F392 HydrophobicContact CB-CE1 4.17Å; V388-F392 HydrophobicContact CB-CD1 4.18Å; V388-F392 HydrophobicContact CG1-CD1 4.48Å; V388-F392 HydrophobicContact CG2-CD1 3.86Å; V388-F392 HydrophobicContact CG2-CE1 3.82Å; S389-F392 PolarHBondContact O-N 2.9Å
393	T	69.1	Low	76.8	Confident	66 Å²	66	67.7 Å²	67.7	41%	0.405	40%	0.403	S	S	.	.	S	Bend	trans	-84.4	-23.3	177.7	61.4	0	0	0	0	112.5	S389 D391	S389-T393 PolarHBondContact OG-N 2.73Å; D391-T393 HydrophobicContact CB-CG2 4.17Å; D391-T393 PolarHBondContact O-N 3.07Å; D391-T393 VanDerWaalsContact O-N 3.17Å; D391-T393 PolarHBondContact OD1-N 3.29Å; D391-T393 PolarHBondContact OD1-OG1 3.3Å; D391-T393 WeakPolarHBondContact OD2-CB 3.28Å; D391-T393 WeakPolarHBondContact OD2-CG2 3.33Å; D391-T393 PolarHBondContact OD2-OG1 2.9Å
394	H	75.1	Confident	76.8	Confident	135 Å²	135	70.4 Å²	70.4	63%	0.625	40%	0.401	S	S	*	.			trans	-129.3	142.7	179.5	-56.4	87.4	0	0	0	110.5	V388 S389	V388-H394 WeakPolarHBondContact CA-O 3.4Å; S389-H394 PolarHBondContact N-O 3.2Å; S389-H394 PolarHBondContact OG-N 3.27Å; S389-H394 PolarHBondContact OG-O 3.17Å
395	A	79.4	Confident	76.3	Confident	35 Å²	35	72.1 Å²	72.1	29%	0.289	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.9	166.9	0	0	0	0	0	109.3	P349 L378 V387 V388	P349-A395 HydrophobicContact CB-CB 3.84Å; P349-A395 HydrophobicContact CG-CB 3.73Å; L378-A395 HydrophobicContact CB-CB 4.1Å; L378-A395 HydrophobicContact CD2-CB 3.72Å; V387-A395 WeakPolarHBondContact O-CA 3.43Å; V388-A395 HydrophobicContact CG1-CB 4.21Å
396	T	82.9	Confident	75.5	Confident	81 Å²	81	68 Å²	68	50%	0.497	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.8	171.6	-169.1	0	0	0	0	110.7	L378 V387	L378-T396 VanDerWaalsContact CD2-C 3.47Å; L378-T396 VanDerWaalsContact CD2-CA 3.47Å; V387-T396 HydrophobicContact CG2-CG2 3.52Å; V387-T396 PolarHBondContact N-O 3.05Å; V387-T396 PolarHBondContact O-N 3.31Å
397	C	82.5	Confident	74.9	Confident	12 Å²	12	70.7 Å²	70.7	8%	0.081	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125	173.5	-69.4	0	0	0	0	110.5	C380 L412	C380-C397 WeakPolarHBondContact CA-SG 3.19Å; C380-C397 HydrophobicContact CB-CB 3.81Å; C380-C397 WeakPolarHBondContact CB-SG 3.44Å; C380-C397 WeakPolarHBondContact SG-CA 3.5Å; C380-C397 WeakPolarHBondContact SG-CB 3.36Å; C380-C397 CovalentContact SG-SG 2.03Å; C380-C397 PolarHBondContact SG-SG 3.48Å; C397-L412 WeakPolarHBondContact CB-O 3.28Å
398	V	85.2	Confident	74.2	Confident	77 Å²	77	71.2 Å²	71.2	47%	0.467	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109.3	167.4	-176.7	0	0	0	0	107.9	G384 Q385 V387	G384-V398 CarbonylContact C-O 3.45Å; G384-V398 WeakPolarHBondContact CA-O 3.24Å; Q385-V398 PolarHBondContact N-O 3.27Å; Q385-V398 PolarHBondContact O-N 3.09Å; V387-V398 HydrophobicContact CB-CG2 4.44Å; V387-V398 HydrophobicContact CG1-CG2 3.82Å; V387-V398 HydrophobicContact CG2-CG2 3.71Å
399	C	80.5	Confident	73.9	Confident	18 Å²	18	72 Å²	72	12%	0.122	42%	0.416	C	S	.	.			trans	-76.4	144.6	-179.9	-54.3	0	0	0	0	111.7	L407 Y409 C414	C399-L407 HydrophobicContact CB-CD2 4.36Å; C399-Y409 WeakPolarHBondContact CB-O 3.34Å; C399-C414 WeakPolarHBondContact CA-SG 3.49Å; C399-C414 HydrophobicContact CB-CB 3.82Å; C399-C414 WeakPolarHBondContact CB-SG 3.4Å; C399-C414 PolarHBondContact N-SG 3.44Å; C399-C414 WeakPolarHBondContact SG-CA 3.4Å; C399-C414 WeakPolarHBondContact SG-CB 3.45Å; C399-C414 CovalentContact SG-SG 2.04Å; C399-C414 PolarHBondContact SG-SG 3.01Å
400	P	78.9	Confident	74	Confident	36 Å²	36	73.6 Å²	73.6	23%	0.234	42%	0.424	C	S	.	.			trans	-68	142.5	-177.5	27.8	-32.9	0	0	0	111	L408 Y409	P400-L408 WeakPolarHBondContact O-CB 2.97Å; P400-L408 PolarHBondContact O-N 3.16Å; P400-Y409 HydrophobicContact CG-CD2 3.78Å; P400-Y409 HydrophobicContact CG-CE2 4.27Å
401	T	75.5	Confident	74.2	Confident	80 Å²	80	66 Å²	66	49%	0.491	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-108.2	150.1	178.4	50.3	0	0	0	0	111	S406 L407	T401-S406 CarbonylContact C-O 3.52Å; T401-S406 VanDerWaalsContact CA-O 3.23Å; T401-S406 WeakPolarHBondContact CA-O 3.37Å; T401-L407 HydrophobicContact CG2-CD2 3.93Å
402	A	70.1	Confident	74.7	Confident	19 Å²	19	69.2 Å²	69.2	16%	0.157	41%	0.413	C	S	.	.			trans	-70.1	165.4	167.7	0	0	0	0	0	110.6	D404 G405 S406 L408	A402-D404 VanDerWaalsContact CB-OD1 3.28Å; A402-D404 WeakPolarHBondContact CB-OD1 3.5Å; A402-D404 PolarHBondContact O-N 2.95Å; A402-G405 WeakPolarHBondContact O-CA 3.35Å; A402-G405 PolarHBondContact O-N 2.91Å; A402-S406 WeakPolarHBondContact CB-OG 3.31Å; A402-S406 PolarHBondContact N-O 3.17Å; A402-L408 HydrophobicContact CB-CD2 3.95Å; A402-L408 HydrophobicContact CB-CG 4.26Å
403	P	70.3	Confident	75	Confident	148 Å²	148	69.1 Å²	69.1	96%	0.961	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.8	-179.5	-26	34.9	0	0	0	115.1	G405	P403-G405 VanDerWaalsContact C-N 3.29Å
404	D	71.2	Confident	75.5	Confident	127 Å²	127	66 Å²	66	68%	0.679	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.4	175.6	69.1	-14.1	0	0	0	113.5	A402 S406	A402-D404 VanDerWaalsContact CB-OD1 3.28Å; A402-D404 WeakPolarHBondContact CB-OD1 3.5Å; A402-D404 PolarHBondContact O-N 2.95Å; D404-S406 VanDerWaalsContact OD1-CB 3.32Å; D404-S406 WeakPolarHBondContact OD1-CB 3Å; D404-S406 PolarHBondContact OD1-N 3.31Å; D404-S406 PolarHBondContact OD1-OG 3.31Å; D404-S406 PolarHBondContact OD2-OG 2.75Å
405	G	67.3	Low	75.3	Confident	50 Å²	50	62 Å²	62	52%	0.515	38%	0.377	S	S	.	.	S	Bend	trans	87.1	-1.2	-177.1	0	0	0	0	0	114.6	A402 P403	A402-G405 WeakPolarHBondContact O-CA 3.35Å; A402-G405 PolarHBondContact O-N 2.91Å; P403-G405 VanDerWaalsContact C-N 3.29Å
406	S	67.1	Low	74.9	Confident	55 Å²	55	66.9 Å²	66.9	39%	0.385	39%	0.389	S	S	.	.			trans	-70.6	141.8	176.6	64.2	0	0	0	0	111.4	T401 A402 D404 L408	T401-S406 CarbonylContact C-O 3.52Å; T401-S406 VanDerWaalsContact CA-O 3.23Å; T401-S406 WeakPolarHBondContact CA-O 3.37Å; A402-S406 WeakPolarHBondContact CB-OG 3.31Å; A402-S406 PolarHBondContact N-O 3.17Å; D404-S406 VanDerWaalsContact OD1-CB 3.32Å; D404-S406 WeakPolarHBondContact OD1-CB 3Å; D404-S406 PolarHBondContact OD1-N 3.31Å; D404-S406 PolarHBondContact OD1-OG 3.31Å; D404-S406 PolarHBondContact OD2-OG 2.75Å; S406-L408 PolarHBondContact O-N 3.44Å
407	L	68.9	Low	74	Confident	87 Å²	87	65.4 Å²	65.4	46%	0.455	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-69	130.8	177.6	-71.9	168.2	0	0	0	110	C399 T401 V418	C399-L407 HydrophobicContact CB-CD2 4.36Å; T401-L407 HydrophobicContact CG2-CD2 3.93Å; L407-V418 HydrophobicContact CB-CG2 4.32Å; L407-V418 VanDerWaalsContact O-CB 3.31Å; L407-V418 WeakPolarHBondContact O-CB 3.08Å
408	L	69.6	Low	73.2	Confident	67 Å²	67	67.3 Å²	67.3	35%	0.351	39%	0.393	S	S	.	.	S	Bend	trans	-83.8	-29.8	170.8	-65.8	172.6	0	0	0	111.5	P400 A402 S406 V418	P400-L408 WeakPolarHBondContact O-CB 2.97Å; P400-L408 PolarHBondContact O-N 3.16Å; A402-L408 HydrophobicContact CB-CD2 3.95Å; A402-L408 HydrophobicContact CB-CG 4.26Å; S406-L408 PolarHBondContact O-N 3.44Å; L408-V418 PolarHBondContact O-N 3.32Å
409	Y	74.7	Confident	72.1	Confident	67 Å²	67	64.2 Å²	64.2	26%	0.263	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.2	180	-59.2	-93.1	0	0	0	111.1	N382 C399 P400 Y416	N382-Y409 HydrophobicContact CB-CD1 3.71Å; N382-Y409 HydrophobicContact CB-CD2 3.93Å; N382-Y409 HydrophobicContact CB-CE1 3.61Å; N382-Y409 HydrophobicContact CB-CE2 3.83Å; N382-Y409 HydrophobicContact CB-CG 3.88Å; N382-Y409 VanDerWaalsContact CG-CE1 3.44Å; N382-Y409 VanDerWaalsContact ND2-CD1 3.33Å; N382-Y409 WeakPolarHBondContact ND2-CD1 3.3Å; N382-Y409 WeakPolarHBondContact ND2-CE1 3.49Å; C399-Y409 WeakPolarHBondContact CB-O 3.34Å; P400-Y409 HydrophobicContact CG-CD2 3.78Å; P400-Y409 HydrophobicContact CG-CE2 4.27Å; Y409-Y416 CarbonylContact C-O 3.54Å; Y409-Y416 WeakPolarHBondContact CA-O 3.41Å; Y409-Y416 WeakPolarHBondContact CB-O 3.42Å
410	T	75.9	Confident	71.2	Confident	67 Å²	67	66.8 Å²	66.8	41%	0.411	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	174	178.5	-166.9	0	0	0	0	109.9	C414 E415 Y416 V418	T410-C414 CarbonylContact O-C 3.38Å; T410-E415 PolarHBondContact O-N 2.81Å; T410-Y416 HydrophobicContact CG2-CD2 4.44Å; T410-Y416 PolarHBondContact N-O 2.76Å; T410-Y416 WeakPolarHBondContact O-CB 3.19Å; T410-Y416 PolarHBondContact O-N 2.83Å; T410-V418 HydrophobicContact CG2-CG2 3.73Å
411	G	75.5	Confident	70.4	Confident	28 Å²	28	69 Å²	69	29%	0.289	40%	0.396	S	S	.	.	S	Bend	trans	104.5	170.4	-170.4	0	0	0	0	0	112.7	N413 C414 E415	G411-N413 VanDerWaalsContact C-N 3.27Å; G411-N413 PolarHBondContact O-N 3.06Å; G411-C414 PolarHBondContact O-N 3.26Å; G411-E415 VanDerWaalsContact C-OE2 3.29Å; G411-E415 WeakPolarHBondContact CA-OE2 3.33Å
412	L	77.6	Confident	70.1	Confident	141 Å²	141	66.5 Å²	66.5	74%	0.738	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-30	-176	-70.9	171.2	0	0	0	112.2	C397 E415	C397-L412 WeakPolarHBondContact CB-O 3.28Å; L412-E415 PolarHBondContact N-OE1 2.03Å; L412-E415 PolarHBondContact N-OE2 3Å; L412-E415 VanDerWaalsContact N-OE2 3.15Å
413	N	79.2	Confident	70.2	Confident	56 Å²	56	70.6 Å²	70.6	30%	0.299	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	14.5	-179.1	-62.4	-19.2	0	0	0	112	L378 L381 G411 E415	L378-N413 WeakPolarHBondContact CD1-OD1 3.5Å; L381-N413 WeakPolarHBondContact CB-O 3.32Å; L381-N413 PolarHBondContact N-O 3.1Å; G411-N413 VanDerWaalsContact C-N 3.27Å; G411-N413 PolarHBondContact O-N 3.06Å; N413-E415 VanDerWaalsContact C-N 3.27Å; N413-E415 VanDerWaalsContact C-OE2 3.29Å; N413-E415 VanDerWaalsContact CA-OE2 3.29Å; N413-E415 WeakPolarHBondContact CA-OE2 3.47Å; N413-E415 WeakPolarHBondContact CB-OE2 3.17Å; N413-E415 PolarHBondContact N-OE2 2.76Å; N413-E415 PolarHBondContact O-N 3.44Å
414	C	79.3	Confident	70.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.376	C	S	.	.	S	Bend	trans	61.2	32.8	-172.1	-48.6	0	0	0	0	113.9	N382 C399 T410 G411	N382-C414 PolarHBondContact ND2-O 2.69Å; C399-C414 WeakPolarHBondContact CA-SG 3.49Å; C399-C414 HydrophobicContact CB-CB 3.82Å; C399-C414 WeakPolarHBondContact CB-SG 3.4Å; C399-C414 PolarHBondContact N-SG 3.44Å; C399-C414 WeakPolarHBondContact SG-CA 3.4Å; C399-C414 WeakPolarHBondContact SG-CB 3.45Å; C399-C414 CovalentContact SG-SG 2.04Å; C399-C414 PolarHBondContact SG-SG 3.01Å; T410-C414 CarbonylContact O-C 3.38Å; G411-C414 PolarHBondContact O-N 3.26Å
415	E	71.1	Confident	71.1	Confident	51 Å²	51	64.5 Å²	64.5	24%	0.238	37%	0.366	C	S	.	.			trans	-75.7	-25.8	-174.3	65.6	-86	-158.9	0	0	114.3	L381 T410 G411 L412 N413	L381-E415 HydrophobicContact CD1-CB 4.02Å; T410-E415 PolarHBondContact O-N 2.81Å; G411-E415 VanDerWaalsContact C-OE2 3.29Å; G411-E415 WeakPolarHBondContact CA-OE2 3.33Å; L412-E415 PolarHBondContact N-OE1 2.03Å; L412-E415 PolarHBondContact N-OE2 3Å; L412-E415 VanDerWaalsContact N-OE2 3.15Å; N413-E415 VanDerWaalsContact C-N 3.27Å; N413-E415 VanDerWaalsContact C-OE2 3.29Å; N413-E415 VanDerWaalsContact CA-OE2 3.29Å; N413-E415 WeakPolarHBondContact CA-OE2 3.47Å; N413-E415 WeakPolarHBondContact CB-OE2 3.17Å; N413-E415 PolarHBondContact N-OE2 2.76Å; N413-E415 PolarHBondContact O-N 3.44Å
416	Y	70.1	Confident	71.9	Confident	138 Å²	138	70.2 Å²	70.2	54%	0.541	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.9	-175.6	-52.8	-64.2	0	0	0	111	Y409 T410 V418	Y409-Y416 CarbonylContact C-O 3.54Å; Y409-Y416 WeakPolarHBondContact CA-O 3.41Å; Y409-Y416 WeakPolarHBondContact CB-O 3.42Å; T410-Y416 HydrophobicContact CG2-CD2 4.44Å; T410-Y416 PolarHBondContact N-O 2.76Å; T410-Y416 WeakPolarHBondContact O-CB 3.19Å; T410-Y416 PolarHBondContact O-N 2.83Å; Y416-V418 PolarHBondContact O-N 2.8Å
417	S	64.7	Low	72.8	Confident	49 Å²	49	69.4 Å²	69.4	34%	0.343	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.1	171.4	56.6	0	0	0	0	111.2	G419 L479	S417-G419 PolarHBondContact O-N 2.84Å; S417-L479 PolarHBondContact OG-O 3.28Å
418	V	63.9	Low	73.6	Confident	53 Å²	53	66.2 Å²	66.2	32%	0.321	36%	0.357	S	S	.	.			trans	-84.8	110	168	-179.7	0	0	0	0	107	L407 L408 T410 Y416	L407-V418 HydrophobicContact CB-CG2 4.32Å; L407-V418 VanDerWaalsContact O-CB 3.31Å; L407-V418 WeakPolarHBondContact O-CB 3.08Å; L408-V418 PolarHBondContact O-N 3.32Å; T410-V418 HydrophobicContact CG2-CG2 3.73Å; Y416-V418 PolarHBondContact O-N 2.8Å
419	G	63.8	Low	74.4	Confident	12 Å²	12	67.5 Å²	67.5	12%	0.124	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-58.4	139.1	178.8	0	0	0	0	0	112.1	S417 W421 C447	S417-G419 PolarHBondContact O-N 2.84Å; G419-W421 PolarHBondContact O-N 3.16Å; G419-W421 PolarHBondContact O-NE1 2.84Å; G419-C447 VanDerWaalsContact CA-SG 3.56Å
420	V	60	Low	74.9	Confident	71 Å²	71	65.5 Å²	65.5	43%	0.43	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-69.6	119.3	169.2	-176.9	0	0	0	0	107.6	C447 L448 N449	V420-C447 CarbonylContact O-C 3.52Å; V420-C447 PolarHBondContact O-SG 3.37Å; V420-C447 VanDerWaalsContact O-SG 3.33Å; V420-L448 PolarHBondContact O-N 2.95Å; V420-N449 HydrophobicContact CB-CB 4.08Å; V420-N449 HydrophobicContact CG2-CB 4.13Å
421	W	64	Low	75.1	Confident	83 Å²	83	69.1 Å²	69.1	31%	0.314	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-93.2	149.4	-179.6	-66.3	89.6	0	0	0	111.8	G419 R445 C447	G419-W421 PolarHBondContact O-N 3.16Å; G419-W421 PolarHBondContact O-NE1 2.84Å; W421-R445 HydrophobicContact CD2-CG 4.38Å; W421-R445 HydrophobicContact CE3-CG 3.73Å; W421-R445 HydrophobicContact CZ3-CG 4.34Å; W421-C447 HydrophobicContact CE3-CB 4.37Å; W421-C447 HydrophobicContact CZ3-CB 4.37Å
422	S	68.5	Low	75.3	Confident	27 Å²	27	69.7 Å²	69.7	19%	0.189	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-65.1	162.3	168	75.4	0	0	0	0	110.2	K446	S422-K446 WeakPolarHBondContact CB-O 3.33Å; S422-K446 PolarHBondContact N-O 3.01Å; S422-K446 PolarHBondContact OG-N 3Å; S422-K446 PolarHBondContact OG-O 2.69Å
423	S	72.7	Confident	75.5	Confident	105 Å²	105	68.9 Å²	68.9	73%	0.734	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-53.7	151.3	157.5	52.2	0	0	0	0	109.8
424	W	77.1	Confident	75.6	Confident	71 Å²	71	72.8 Å²	72.8	27%	0.269	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.7	140.6	172.7	-71.8	104.4	0	0	0	110.5	R443 R444 R445 S485 E487	W424-R443 HydrophobicContact CD2-CG 4.04Å; W424-R443 HydrophobicContact CE3-CB 4.14Å; W424-R443 HydrophobicContact CE3-CG 3.57Å; W424-R443 HydrophobicContact CG-CG 4.46Å; W424-R443 HydrophobicContact CZ3-CG 4.09Å; W424-R443 WeakPolarHBondContact CZ3-O 3.37Å; W424-R444 VanDerWaalsContact CE3-C 3.43Å; W424-R445 HydrophobicContact CD2-CB 4.03Å; W424-R445 HydrophobicContact CD2-CG 4.05Å; W424-R445 HydrophobicContact CE3-CB 3.77Å; W424-R445 HydrophobicContact CE3-CG 3.78Å; W424-R445 HydrophobicContact CH2-CG 3.79Å; W424-R445 HydrophobicContact CZ2-CG 4.05Å; W424-R445 HydrophobicContact CZ3-CB 4.12Å; W424-R445 HydrophobicContact CZ3-CG 3.66Å; W424-S485 WeakPolarHBondContact CZ3-O 3.46Å; W424-E487 HydrophobicContact CH2-CB 3.59Å; W424-E487 HydrophobicContact CZ2-CB 4.23Å; W424-E487 HydrophobicContact CZ3-CB 3.87Å
425	T	82.2	Confident	75.7	Confident	76 Å²	76	74.3 Å²	74.3	47%	0.466	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59.2	159.9	164.6	62.1	0	0	0	0	109.5	R444	T425-R444 VanDerWaalsContact CG2-O 3.31Å; T425-R444 WeakPolarHBondContact CG2-O 3.1Å; T425-R444 PolarHBondContact N-O 3.41Å; T425-R444 PolarHBondContact OG1-N 3.14Å; T425-R444 PolarHBondContact OG1-O 2.97Å
426	Q	84.8	Confident	76.1	Confident	171 Å²	171	72.4 Å²	72.4	80%	0.799	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-54.1	140.1	165.3	-67.9	-61.9	-18.4	0	0	109.6
427	P	85.8	Confident	76.2	Confident	38 Å²	38	71.4 Å²	71.4	25%	0.247	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-56.2	142.5	172.6	-23.3	33.8	0	0	0	111	R441 W442 L489	P427-R441 HydrophobicContact CB-CG 4.09Å; P427-W442 CarbonylContact C-O 3.48Å; P427-L489 HydrophobicContact CB-CD1 4.31Å; P427-L489 HydrophobicContact CG-CD1 4.06Å
428	S	85.4	Confident	76.6	Confident	20 Å²	20	71 Å²	71	14%	0.14	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-58.1	164.8	171	73.7	0	0	0	0	111	R441 W442	S428-R441 WeakPolarHBondContact O-CB 3.45Å; S428-R441 WeakPolarHBondContact OG-CA 3.22Å; S428-R441 WeakPolarHBondContact OG-CB 3.42Å; S428-W442 WeakPolarHBondContact CB-O 3.44Å; S428-W442 PolarHBondContact N-O 3.28Å; S428-W442 WeakPolarHBondContact OG-CZ3 3.36Å; S428-W442 PolarHBondContact OG-N 3.16Å; S428-W442 PolarHBondContact OG-O 3.09Å
429	P	87.5	Confident	77.2	Confident	93 Å²	93	69.7 Å²	69.7	60%	0.604	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-54.3	152.3	160	-20.9	33	0	0	0	110.5
430	C	83.7	Confident	78	Confident	25 Å²	25	72.1 Å²	72.1	17%	0.169	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-66.7	136.8	173.5	-67.4	0	0	0	0	110.1	P432 E433 R439 Y440 C491	C430-P432 CarbonylContact O-C 3.6Å; C430-E433 WeakPolarHBondContact O-CA 3.16Å; C430-E433 PolarHBondContact O-N 2.68Å; C430-R439 VanDerWaalsContact CB-NH2 3.29Å; C430-Y440 CarbonylContact C-O 3.5Å; C430-Y440 WeakPolarHBondContact CA-O 3.25Å; C430-C491 WeakPolarHBondContact CA-SG 3.43Å; C430-C491 HydrophobicContact CB-CB 3.71Å; C430-C491 WeakPolarHBondContact CB-SG 3.47Å; C430-C491 WeakPolarHBondContact SG-CB 3.39Å; C430-C491 CovalentContact SG-SG 2.02Å; C430-C491 PolarHBondContact SG-SG 3.02Å
431	Y	79.9	Confident	79.2	Confident	144 Å²	144	73.2 Å²	73.2	57%	0.565	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-120	129.7	174.6	-171.6	-96.9	0	0	0	109.8	R439 Y440	Y431-R439 WeakPolarHBondContact O-CA 2.96Å; Y431-Y440 HydrophobicContact CD1-CE1 4.14Å; Y431-Y440 AromaticContact CD1-CZ 4Å; Y431-Y440 PolarHBondContact N-O 3.38Å; Y431-Y440 PolarHBondContact O-N 3.42Å; Y431-Y440 VanDerWaalsContact O-N 3.12Å
432	P	81.2	Confident	80.1	Confident	39 Å²	39	74.2 Å²	74.2	25%	0.253	38%	0.384	S	S	.	.	S	Bend	cis	-63.1	151.1	-10.7	-9.7	22.8	0	0	0	111.9	C430 C435 R439	C430-P432 CarbonylContact O-C 3.6Å; P432-C435 VanDerWaalsContact CB-O 3.29Å; P432-C435 WeakPolarHBondContact CB-O 3.2Å; P432-C435 WeakPolarHBondContact CG-O 3.22Å; P432-R439 PolarHBondContact O-NE 2.77Å
433	E	81.1	Confident	80.7	Confident	125 Å²	125	76.1 Å²	76.1	58%	0.584	39%	0.387	S	S	*	.	S	Bend	trans	-69.9	-46.5	-174.1	-166.4	168.7	-172.2	0	0	111.7	C430 R439 L494	C430-E433 WeakPolarHBondContact O-CA 3.16Å; C430-E433 PolarHBondContact O-N 2.68Å; E433-R439 PolarHBondContact O-NH2 3.12Å; E433-L494 WeakPolarHBondContact O-CD1 3.47Å
434	D	81.9	Confident	81	Confident	137 Å²	137	77.1 Å²	77.1	73%	0.733	38%	0.375	S	S	*	.	S	Bend	trans	-109.5	2	-168.6	-58.3	-41.8	0	0	0	114.5	L494	D434-L494 VanDerWaalsContact C-CD1 3.47Å
435	C	81.2	Confident	80.6	Confident	33 Å²	33	77.2 Å²	77.2	22%	0.223	38%	0.375	C	S	.	.			trans	-160.2	163.1	-176.4	64.2	0	0	0	0	113.4	P432 E495 C497	P432-C435 VanDerWaalsContact CB-O 3.29Å; P432-C435 WeakPolarHBondContact CB-O 3.2Å; P432-C435 WeakPolarHBondContact CG-O 3.22Å; C435-E495 CarbonylContact C-O 3.39Å; C435-E495 WeakPolarHBondContact CA-O 3.49Å; C435-E495 WeakPolarHBondContact CB-O 3.39Å; C435-C497 VanDerWaalsContact CB-CA 3.47Å; C435-C497 HydrophobicContact CB-CB 3.77Å; C435-C497 WeakPolarHBondContact CB-SG 3.45Å; C435-C497 WeakPolarHBondContact SG-CA 3.46Å; C435-C497 WeakPolarHBondContact SG-CB 3.38Å; C435-C497 CovalentContact SG-SG 2.03Å; C435-C497 PolarHBondContact SG-SG 3.26Å
436	G	78.2	Confident	80.2	Confident	10 Å²	10	80.5 Å²	80.5	10%	0.103	38%	0.383	C	S	.	.			trans	109.6	142.7	172.3	0	0	0	0	0	114.3	R439 L494 E495	G436-R439 VanDerWaalsContact O-CD 3.28Å; G436-R439 WeakPolarHBondContact O-CD 3.33Å; G436-R439 VanDerWaalsContact O-CG 3.3Å; G436-R439 WeakPolarHBondContact O-CG 3.23Å; G436-L494 CarbonylContact C-O 3.58Å; G436-L494 PolarHBondContact O-N 2.97Å; G436-E495 PolarHBondContact N-O 2.96Å
437	L	72.6	Confident	79.3	Confident	117 Å²	117	73.1 Å²	73.1	61%	0.613	35%	0.35	S	S	*	.	S	Bend	trans	-75.9	-39	175.6	-65.4	171	0	0	0	111.6	R439	L437-R439 PolarHBondContact O-N 2.88Å
438	S	73	Confident	78.2	Confident	40 Å²	40	76.4 Å²	76.4	28%	0.28	37%	0.365	S	S	.	.	S	Bend	trans	-99.6	70.4	-179.9	-52.3	0	0	0	0	110.5
439	R	76.7	Confident	76.8	Confident	26 Å²	26	79 Å²	79	10%	0.098	38%	0.377	C	S	.	.			trans	-87.6	142.1	174.5	-68.4	170.4	72.1	-140.4	10.7	109.6	C430 Y431 P432 E433 G436 L437 C491 P492 Y513	C430-R439 VanDerWaalsContact CB-NH2 3.29Å; Y431-R439 WeakPolarHBondContact O-CA 2.96Å; P432-R439 PolarHBondContact O-NE 2.77Å; E433-R439 PolarHBondContact O-NH2 3.12Å; G436-R439 VanDerWaalsContact O-CD 3.28Å; G436-R439 WeakPolarHBondContact O-CD 3.33Å; G436-R439 VanDerWaalsContact O-CG 3.3Å; G436-R439 WeakPolarHBondContact O-CG 3.23Å; L437-R439 PolarHBondContact O-N 2.88Å; R439-C491 HydrophobicContact CB-CB 3.48Å; R439-C491 VanDerWaalsContact CB-CB 3.48Å; R439-C491 WeakPolarHBondContact O-CB 3.37Å; R439-C491 PolarHBondContact O-N 3.31Å; R439-C491 VanDerWaalsContact O-N 3.14Å; R439-P492 WeakPolarHBondContact CD-O 3.29Å; R439-P492 PolarHBondContact NH1-O 3.07Å; R439-Y513 PolarHBondContact O-OH 2.99Å
440	Y	81.4	Confident	74.6	Confident	63 Å²	63	80.5 Å²	80.5	25%	0.247	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.1	176.5	66.5	-87.7	0	0	0	110.7	C430 Y431 W442 I488 L489 C491	C430-Y440 CarbonylContact C-O 3.5Å; C430-Y440 WeakPolarHBondContact CA-O 3.25Å; Y431-Y440 HydrophobicContact CD1-CE1 4.14Å; Y431-Y440 AromaticContact CD1-CZ 4Å; Y431-Y440 PolarHBondContact N-O 3.38Å; Y431-Y440 PolarHBondContact O-N 3.42Å; Y431-Y440 VanDerWaalsContact O-N 3.12Å; Y440-W442 HydrophobicContact CD2-CE3 4.14Å; Y440-W442 AromaticContact CE2-CE3 3.9Å; Y440-W442 HydrophobicContact CE2-CE3 3.9Å; Y440-W442 HydrophobicContact CE2-CZ3 4.12Å; Y440-I488 HydrophobicContact CD2-CG2 3.86Å; Y440-I488 HydrophobicContact CG-CG2 4.02Å; Y440-L489 WeakPolarHBondContact CA-O 3.33Å; Y440-C491 VanDerWaalsContact C-SG 3.53Å
441	R	84.5	Confident	72.4	Confident	95 Å²	95	84.1 Å²	84.1	36%	0.358	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.1	167.3	58.5	-169.1	175.6	160.7	-0.6	107.5	P427 S428 I488 L489	P427-R441 HydrophobicContact CB-CG 4.09Å; S428-R441 WeakPolarHBondContact O-CB 3.45Å; S428-R441 WeakPolarHBondContact OG-CA 3.22Å; S428-R441 WeakPolarHBondContact OG-CB 3.42Å; R441-I488 CarbonylContact O-C 3.48Å; R441-L489 HydrophobicContact CG-CB 3.86Å; R441-L489 PolarHBondContact N-O 2.69Å; R441-L489 PolarHBondContact O-N 2.91Å; R441-L489 VanDerWaalsContact O-O 3.13Å
442	W	83.1	Confident	70.3	Confident	104 Å²	104	84.3 Å²	84.3	39%	0.394	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.4	177.6	64.5	96.4	0	0	0	110.4	P427 S428 Y440 E487	P427-W442 CarbonylContact C-O 3.48Å; S428-W442 WeakPolarHBondContact CB-O 3.44Å; S428-W442 PolarHBondContact N-O 3.28Å; S428-W442 WeakPolarHBondContact OG-CZ3 3.36Å; S428-W442 PolarHBondContact OG-N 3.16Å; S428-W442 PolarHBondContact OG-O 3.09Å; Y440-W442 HydrophobicContact CD2-CE3 4.14Å; Y440-W442 AromaticContact CE2-CE3 3.9Å; Y440-W442 HydrophobicContact CE2-CE3 3.9Å; Y440-W442 HydrophobicContact CE2-CZ3 4.12Å; W442-E487 CarbonylContact C-O 3.4Å; W442-E487 WeakPolarHBondContact CA-O 3.49Å
443	R	80.7	Confident	68.4	Low	66 Å²	66	88.3 Å²	88.3	25%	0.249	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154	170.3	57.5	-180	-171	-179.1	-3.3	109	W424 E486 E487 L489	W424-R443 HydrophobicContact CD2-CG 4.04Å; W424-R443 HydrophobicContact CE3-CB 4.14Å; W424-R443 HydrophobicContact CE3-CG 3.57Å; W424-R443 HydrophobicContact CG-CG 4.46Å; W424-R443 HydrophobicContact CZ3-CG 4.09Å; W424-R443 WeakPolarHBondContact CZ3-O 3.37Å; R443-E486 WeakPolarHBondContact O-CA 3.44Å; R443-E487 HydrophobicContact CG-CB 4.29Å; R443-E487 IonicContact CZ-OE2 3.45Å; R443-E487 PolarHBondContact N-O 3.14Å; R443-E487 IonicContact NE-OE2 2.76Å; R443-E487 PolarHBondContact NE-OE2 3.31Å; R443-E487 IonicContact NH2-OE1 2.61Å; R443-E487 IonicContact NH2-OE2 3.98Å; R443-E487 PolarHBondContact NH2-OE2 3.23Å; R443-E487 PolarHBondContact O-N 3.44Å; R443-L489 HydrophobicContact CG-CD1 4.08Å
444	R	79.8	Confident	66.3	Low	126 Å²	126	89.1 Å²	89.1	48%	0.475	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.7	-177.2	-171	-176.1	-76.9	173.3	-3	109.3	W424 T425 A484 S485 E486	W424-R444 VanDerWaalsContact CE3-C 3.43Å; T425-R444 VanDerWaalsContact CG2-O 3.31Å; T425-R444 WeakPolarHBondContact CG2-O 3.1Å; T425-R444 PolarHBondContact N-O 3.41Å; T425-R444 PolarHBondContact OG1-N 3.14Å; T425-R444 PolarHBondContact OG1-O 2.97Å; R444-A484 HydrophobicContact CG-CB 3.77Å; R444-S485 CarbonylContact C-O 3.59Å; R444-S485 VanDerWaalsContact CA-O 3.28Å; R444-S485 WeakPolarHBondContact CA-O 3.31Å; R444-E486 HydrophobicContact CB-CG 4.28Å; R444-E486 HydrophobicContact CG-CG 3.99Å; R444-E486 IonicContact CZ-OE1 3.09Å; R444-E486 IonicContact NE-OE1 3.27Å; R444-E486 PolarHBondContact NE-OE1 2.79Å; R444-E486 IonicContact NH2-OE1 3.54Å; R444-E486 PolarHBondContact NH2-OE1 3.42Å
445	R	68.4	Low	64.1	Low	74 Å²	74	89.4 Å²	89.4	28%	0.279	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.1	164	61.8	-179.4	-178.2	168.9	0.6	109	W421 W424 A484 S485	W421-R445 HydrophobicContact CD2-CG 4.38Å; W421-R445 HydrophobicContact CE3-CG 3.73Å; W421-R445 HydrophobicContact CZ3-CG 4.34Å; W424-R445 HydrophobicContact CD2-CB 4.03Å; W424-R445 HydrophobicContact CD2-CG 4.05Å; W424-R445 HydrophobicContact CE3-CB 3.77Å; W424-R445 HydrophobicContact CE3-CG 3.78Å; W424-R445 HydrophobicContact CH2-CG 3.79Å; W424-R445 HydrophobicContact CZ2-CG 4.05Å; W424-R445 HydrophobicContact CZ3-CB 4.12Å; W424-R445 HydrophobicContact CZ3-CG 3.66Å; R445-A484 CarbonylContact O-C 3.59Å; R445-A484 VanDerWaalsContact O-CA 3.28Å; R445-A484 WeakPolarHBondContact O-CA 3.47Å; R445-S485 PolarHBondContact N-O 3.33Å; R445-S485 PolarHBondContact O-N 3.48Å
446	K	73.3	Confident	62	Low	145 Å²	145	92.7 Å²	92.7	63%	0.63	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.6	-179.4	-169.7	-174.5	173.1	-177.3	0	108.9	S422 L448	S422-K446 WeakPolarHBondContact CB-O 3.33Å; S422-K446 PolarHBondContact N-O 3.01Å; S422-K446 PolarHBondContact OG-N 3Å; S422-K446 PolarHBondContact OG-O 2.69Å; K446-L448 PolarHBondContact O-N 3.44Å
447	C	66.1	Low	59.7	Low	15 Å²	15	98.2 Å²	98.2	10%	0.101	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	-64.7	128.4	166.2	-156.4	0	0	0	0	109.9	G419 V420 W421 C481 G483	G419-C447 VanDerWaalsContact CA-SG 3.56Å; V420-C447 CarbonylContact O-C 3.52Å; V420-C447 PolarHBondContact O-SG 3.37Å; V420-C447 VanDerWaalsContact O-SG 3.33Å; W421-C447 HydrophobicContact CE3-CB 4.37Å; W421-C447 HydrophobicContact CZ3-CB 4.37Å; C447-C481 HydrophobicContact CB-CB 3.85Å; C447-C481 WeakPolarHBondContact CB-SG 3.46Å; C447-C481 WeakPolarHBondContact SG-CB 3.3Å; C447-C481 CovalentContact SG-SG 2.02Å; C447-C481 PolarHBondContact SG-SG 2.99Å; C447-G483 PolarHBondContact N-O 3.16Å
448	L	62.5	Low	57.7	Low	107 Å²	107	102.3 Å²	102.3	56%	0.56	50%	0.501	S	S	*	.			trans	-88.3	-25.9	-179.1	-70.1	179.1	0	0	0	113	V420 K446 T450	V420-L448 PolarHBondContact O-N 2.95Å; K446-L448 PolarHBondContact O-N 3.44Å; L448-T450 PolarHBondContact O-N 3.48Å; L448-T450 VanDerWaalsContact O-N 3.14Å
449	N	55.5	Low	55.7	Low	76 Å²	76	108.1 Å²	108.1	41%	0.406	52%	0.523	S	S	.	.			trans	-90.5	87.3	-170.6	-147.4	-0.1	0	0	0	112.7	V420 T451	V420-N449 HydrophobicContact CB-CB 4.08Å; V420-N449 HydrophobicContact CG2-CB 4.13Å; N449-T451 PolarHBondContact OD1-N 3.25Å
450	T	41	Very low	53.5	Low	124 Å²	124	111 Å²	111	76%	0.761	55%	0.547	S	S	*	.	S	Bend	trans	-84.4	93.1	145.3	49.8	0	0	0	0	107.2	L448	L448-T450 PolarHBondContact O-N 3.48Å; L448-T450 VanDerWaalsContact O-N 3.14Å
451	T	38.1	Very low	51.2	Low	101 Å²	101	113.5 Å²	113.5	62%	0.62	57%	0.574	S	S	*	*			trans	25.4	94.2	165.3	50.9	0	0	0	0	117.2	N449 P478	N449-T451 PolarHBondContact OD1-N 3.25Å; T451-P478 HydrophobicContact CG2-CB 3.8Å
452	M	35.3	Very low	48.8	Very low	148 Å²	148	116.3 Å²	116.3	73%	0.729	60%	0.596	S	S	*	*			trans	-96.6	121.5	155.4	-74.8	-99.8	178.2	0	0	108.6	D454	M452-D454 PolarHBondContact O-N 3.37Å
453	V	42.3	Very low	46.4	Very low	123 Å²	123	116.3 Å²	116.3	75%	0.745	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-68.3	-12.7	-174.1	174.7	0	0	0	0	113.1
454	D	37.7	Very low	44.1	Very low	142 Å²	142	119 Å²	119	76%	0.759	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-90.3	-1.8	-168.2	-62.9	-27.4	0	0	0	116.2	M452	M452-D454 PolarHBondContact O-N 3.37Å
455	N	35.5	Very low	41.7	Very low	143 Å²	143	117.4 Å²	117.4	77%	0.765	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-101.3	7.3	-179.4	-79.2	-2.5	0	0	0	115	I457	N455-I457 PolarHBondContact O-N 3.1Å; N455-I457 VanDerWaalsContact O-N 3.07Å
456	V	35.9	Very low	39.9	Very low	102 Å²	102	121 Å²	121	62%	0.618	67%	0.669	S	S	*	*			trans	-78.6	94.2	169.1	-174.6	0	0	0	0	107.6	Y458	V456-Y458 WeakPolarHBondContact O-CD2 3.4Å; V456-Y458 PolarHBondContact O-N 3.46Å
457	I	29.8	Very low	37.8	Very low	126 Å²	126	118.9 Å²	118.9	65%	0.646	66%	0.664	S	S	*	*			trans	-61.3	109.9	169.9	-60.8	174.7	0	0	0	106.9	N455 H459	N455-I457 PolarHBondContact O-N 3.1Å; N455-I457 VanDerWaalsContact O-N 3.07Å; I457-H459 VanDerWaalsContact C-N 3.29Å; I457-H459 PolarHBondContact O-N 2.96Å
458	Y	31.2	Very low	36.2	Very low	203 Å²	203	125.3 Å²	125.3	80%	0.796	70%	0.697	S	S	*	*			trans	-64.6	90.9	170	-69.2	-90.9	0	0	0	108	V456 S460	V456-Y458 WeakPolarHBondContact O-CD2 3.4Å; V456-Y458 PolarHBondContact O-N 3.46Å; Y458-S460 PolarHBondContact O-N 3.26Å
459	H	30.6	Very low	34.7	Very low	162 Å²	162	124.1 Å²	124.1	75%	0.75	71%	0.711	S	S	*	*			trans	-71.5	127.7	166.4	-82.1	-72.9	0	0	0	108.8	I457	I457-H459 VanDerWaalsContact C-N 3.29Å; I457-H459 PolarHBondContact O-N 2.96Å
460	S	31.1	Very low	33.5	Very low	86 Å²	86	126.5 Å²	126.5	60%	0.601	72%	0.722	S	S	*	*			trans	-51.7	133.2	-164.1	48.8	0	0	0	0	114	Y458 D462	Y458-S460 PolarHBondContact O-N 3.26Å; S460-D462 PolarHBondContact O-N 2.97Å
461	S	33.4	Very low	32.9	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	73%	0.725	S	S	*	*	S	Bend	trans	-68.9	56.6	170.3	51.9	0	0	0	0	112.8
462	D	33	Very low	32.6	Very low	153 Å²	153	127.6 Å²	127.6	82%	0.818	72%	0.724	S	S	*	*			trans	-106.2	8.4	173.7	-87.2	-14.2	0	0	0	113.6	S460	S460-D462 PolarHBondContact O-N 2.97Å
463	S	34.2	Very low	32.4	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	73%	0.726	S	S	*	*	S	Bend	trans	-130.3	7.9	179.8	49.9	0	0	0	0	116.2
464	L	30.3	Very low	31.9	Very low	123 Å²	123	130.2 Å²	130.2	64%	0.644	73%	0.727	S	S	*	*			trans	-128.6	66	166.5	-88.1	100.4	0	0	0	111.3	N466 L467	L464-N466 PolarHBondContact O-N 2.95Å; L464-L467 HydrophobicContact CD2-CD1 3.27Å; L464-L467 HydrophobicContact CD2-CG 3.92Å
465	A	29.9	Very low	31.4	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	73%	0.728	S	S	*	*			trans	-61.5	123.1	149.9	0	0	0	0	0	107.8
466	N	30.2	Very low	31.1	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	73%	0.729	S	S	*	*			trans	73.8	64.2	167.4	-60.3	-20.5	0	0	0	117.6	L464 N468	L464-N466 PolarHBondContact O-N 2.95Å; N466-N468 PolarHBondContact O-N 3.27Å
467	L	30.4	Very low	30.9	Very low	99 Å²	99	134 Å²	134	52%	0.518	73%	0.731	S	S	.	*			trans	-78.6	99.8	144.9	-104.9	151.5	0	0	0	109	L464 G469	L464-L467 HydrophobicContact CD2-CD1 3.27Å; L464-L467 HydrophobicContact CD2-CG 3.92Å; L467-G469 PolarHBondContact O-N 3.49Å
468	N	31.3	Very low	31.3	Very low	150 Å²	150	132.2 Å²	132.2	80%	0.802	73%	0.728	S	S	*	*			trans	-72.1	105.5	160	-84.6	-20.5	0	0	0	108.6	N466 I470	N466-N468 PolarHBondContact O-N 3.27Å; N468-I470 PolarHBondContact O-N 3.41Å; N468-I470 VanDerWaalsContact O-N 3.15Å
469	G	32.9	Very low	31.8	Very low	82 Å²	82	127.1 Å²	127.1	85%	0.845	71%	0.714	S	S	*	*	S	Bend	trans	73.7	12.2	141.7	0	0	0	0	0	119.3	L467	L467-G469 PolarHBondContact O-N 3.49Å
470	I	28.8	Very low	32.4	Very low	126 Å²	126	124.1 Å²	124.1	65%	0.646	71%	0.708	S	S	*	*			trans	-102.2	99.4	164.3	-56.1	177.5	0	0	0	106.7	N468 T472	N468-I470 PolarHBondContact O-N 3.41Å; N468-I470 VanDerWaalsContact O-N 3.15Å; I470-T472 PolarHBondContact O-N 2.95Å
471	D	29	Very low	33.5	Very low	154 Å²	154	121.3 Å²	121.3	82%	0.824	69%	0.689	S	S	*	*			trans	-49.1	91.8	158.1	-104.3	-33.5	0	0	0	106.6	L473	D471-L473 PolarHBondContact O-N 3.31Å
472	T	32.6	Very low	34.2	Very low	95 Å²	95	121.4 Å²	121.4	58%	0.583	69%	0.686	S	S	*	*			trans	-63.3	89	159.5	43	0	0	0	0	103.5	I470 K474	I470-T472 PolarHBondContact O-N 2.95Å; T472-K474 PolarHBondContact O-N 2.95Å
473	L	30.4	Very low	35.6	Very low	150 Å²	150	116.5 Å²	116.5	79%	0.785	67%	0.671	S	S	*	*			trans	-43.6	95.9	158.3	-101.7	139.4	0	0	0	104.6	D471 R475	D471-L473 PolarHBondContact O-N 3.31Å; L473-R475 PolarHBondContact O-N 3.48Å
474	K	32	Very low	37.3	Very low	175 Å²	175	114.1 Å²	114.1	76%	0.761	66%	0.658	S	S	*	*			trans	-61.7	81.1	167.5	-76.2	-178.7	178.2	179.2	0	104	T472 T476	T472-K474 PolarHBondContact O-N 2.95Å; K474-T476 PolarHBondContact O-N 3.5Å
475	R	27.4	Very low	39	Very low	205 Å²	205	109.9 Å²	109.9	77%	0.774	64%	0.639	S	S	*	*			trans	-65.8	86.9	164.7	-92.4	-172.7	175.7	-173.8	0.3	104.5	L473 M477	L473-R475 PolarHBondContact O-N 3.48Å; R475-M477 PolarHBondContact O-N 3.43Å
476	T	29.6	Very low	41.1	Very low	129 Å²	129	110.7 Å²	110.7	79%	0.791	63%	0.627	S	S	*	*			trans	-58.8	93	149	30.3	0	0	0	0	105.5	K474 P478	K474-T476 PolarHBondContact O-N 3.5Å; T476-P478 VanDerWaalsContact C-CD 3.43Å; T476-P478 WeakPolarHBondContact O-CD 3.16Å
477	M	30	Very low	43.2	Very low	133 Å²	133	106.7 Å²	106.7	66%	0.655	60%	0.603	S	S	*	*			trans	-85.9	97.8	157.9	-107.3	-178.5	167.7	0	0	105.6	R475 L479	R475-M477 PolarHBondContact O-N 3.43Å; M477-L479 PolarHBondContact O-N 3.1Å
478	P	38	Very low	45.5	Very low	89 Å²	89	104.6 Å²	104.6	58%	0.578	59%	0.592	S	S	*	*			trans	-66.7	96.6	159.5	29.3	-30.6	0	0	0	105.4	T451 T476 P480	T451-P478 HydrophobicContact CG2-CB 3.8Å; T476-P478 VanDerWaalsContact C-CD 3.43Å; T476-P478 WeakPolarHBondContact O-CD 3.16Å; P478-P480 WeakPolarHBondContact O-CD 3.29Å
479	L	42.4	Very low	47.6	Very low	96 Å²	96	98.7 Å²	98.7	50%	0.503	56%	0.561	S	S	.	*			trans	-81.2	103.2	164.9	-80.4	161.7	0	0	0	105.9	S417 M477 C481	S417-L479 PolarHBondContact OG-O 3.28Å; M477-L479 PolarHBondContact O-N 3.1Å; L479-C481 PolarHBondContact O-N 3.28Å
480	P	44.2	Very low	49.8	Very low	99 Å²	99	99 Å²	99	64%	0.643	55%	0.547	S	S	*	.			trans	-62.6	130.8	174.2	27.5	-33.4	0	0	0	107.6	P478 P482	P478-P480 WeakPolarHBondContact O-CD 3.29Å; P480-P482 WeakPolarHBondContact O-CD 3.02Å; P480-P482 VanDerWaalsContact O-N 3.09Å
481	C	53	Low	52.2	Low	27 Å²	27	93.8 Å²	93.8	18%	0.182	52%	0.522	C	S	.	.			trans	-58.4	104.1	153	39.8	0	0	0	0	107	C447 L479 G483	C447-C481 HydrophobicContact CB-CB 3.85Å; C447-C481 WeakPolarHBondContact CB-SG 3.46Å; C447-C481 WeakPolarHBondContact SG-CB 3.3Å; C447-C481 CovalentContact SG-SG 2.02Å; C447-C481 PolarHBondContact SG-SG 2.99Å; L479-C481 PolarHBondContact O-N 3.28Å; C481-G483 PolarHBondContact O-N 3.34Å
482	P	48.3	Very low	54.7	Low	118 Å²	118	90.9 Å²	90.9	77%	0.766	51%	0.512	S	S	*	.			trans	-72.6	126.1	-177.1	29.8	-28.5	0	0	0	108.8	P480	P480-P482 WeakPolarHBondContact O-CD 3.02Å; P480-P482 VanDerWaalsContact O-N 3.09Å
483	G	62.3	Low	56.9	Low	49 Å²	49	90.3 Å²	90.3	51%	0.505	51%	0.511	S	S	.	.	S	Bend	trans	92	-159	151.4	0	0	0	0	0	117.8	C447 C481	C447-G483 PolarHBondContact N-O 3.16Å; C481-G483 PolarHBondContact O-N 3.34Å
484	A	70.4	Confident	59.3	Low	54 Å²	54	86.3 Å²	86.3	45%	0.446	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.6	-176.8	0	0	0	0	0	109.3	R444 R445	R444-A484 HydrophobicContact CG-CB 3.77Å; R445-A484 CarbonylContact O-C 3.59Å; R445-A484 VanDerWaalsContact O-CA 3.28Å; R445-A484 WeakPolarHBondContact O-CA 3.47Å
485	S	66.9	Low	61.3	Low	35 Å²	35	85.1 Å²	85.1	25%	0.245	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.9	172.1	170.4	0	0	0	0	108.2	W424 R444 R445	W424-S485 WeakPolarHBondContact CZ3-O 3.46Å; R444-S485 CarbonylContact C-O 3.59Å; R444-S485 VanDerWaalsContact CA-O 3.28Å; R444-S485 WeakPolarHBondContact CA-O 3.31Å; R445-S485 PolarHBondContact N-O 3.33Å; R445-S485 PolarHBondContact O-N 3.48Å
486	E	72.5	Confident	63.5	Low	108 Å²	108	79.4 Å²	79.4	51%	0.505	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.6	174.4	-66.2	-173.6	164	0	0	110.2	R443 R444	R443-E486 WeakPolarHBondContact O-CA 3.44Å; R444-E486 HydrophobicContact CB-CG 4.28Å; R444-E486 HydrophobicContact CG-CG 3.99Å; R444-E486 IonicContact CZ-OE1 3.09Å; R444-E486 IonicContact NE-OE1 3.27Å; R444-E486 PolarHBondContact NE-OE1 2.79Å; R444-E486 IonicContact NH2-OE1 3.54Å; R444-E486 PolarHBondContact NH2-OE1 3.42Å
487	E	74.6	Confident	65.7	Low	67 Å²	67	76 Å²	76	31%	0.313	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.3	175.6	179.9	-175.1	-163.5	0	0	108.7	W424 W442 R443 L489	W424-E487 HydrophobicContact CH2-CB 3.59Å; W424-E487 HydrophobicContact CZ2-CB 4.23Å; W424-E487 HydrophobicContact CZ3-CB 3.87Å; W442-E487 CarbonylContact C-O 3.4Å; W442-E487 WeakPolarHBondContact CA-O 3.49Å; R443-E487 HydrophobicContact CG-CB 4.29Å; R443-E487 IonicContact CZ-OE2 3.45Å; R443-E487 PolarHBondContact N-O 3.14Å; R443-E487 IonicContact NE-OE2 2.76Å; R443-E487 PolarHBondContact NE-OE2 3.31Å; R443-E487 IonicContact NH2-OE1 2.61Å; R443-E487 IonicContact NH2-OE2 3.98Å; R443-E487 PolarHBondContact NH2-OE2 3.23Å; R443-E487 PolarHBondContact O-N 3.44Å; E487-L489 HydrophobicContact CG-CD2 4.17Å
488	I	78.5	Confident	67.5	Low	55 Å²	55	78.9 Å²	78.9	28%	0.282	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.2	173.1	-54.4	-163.4	0	0	0	109	Y440 R441 Y513 L516	Y440-I488 HydrophobicContact CD2-CG2 3.86Å; Y440-I488 HydrophobicContact CG-CG2 4.02Å; R441-I488 CarbonylContact O-C 3.48Å; I488-Y513 HydrophobicContact CG2-CE1 3.86Å; I488-L516 HydrophobicContact CD1-CD1 3.9Å; I488-L516 HydrophobicContact CD1-CD2 3.36Å; I488-L516 HydrophobicContact CD1-CG 4.27Å; I488-L516 HydrophobicContact CG1-CD2 4.33Å
489	L	75.5	Confident	68	Low	27 Å²	27	83.7 Å²	83.7	14%	0.141	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.7	178.9	-60.7	174	0	0	0	110.5	P427 Y440 R441 R443 E487	P427-L489 HydrophobicContact CB-CD1 4.31Å; P427-L489 HydrophobicContact CG-CD1 4.06Å; Y440-L489 WeakPolarHBondContact CA-O 3.33Å; R441-L489 HydrophobicContact CG-CB 3.86Å; R441-L489 PolarHBondContact N-O 2.69Å; R441-L489 PolarHBondContact O-N 2.91Å; R441-L489 VanDerWaalsContact O-O 3.13Å; R443-L489 HydrophobicContact CG-CD1 4.08Å; E487-L489 HydrophobicContact CG-CD2 4.17Å
490	P	78.8	Confident	68	Low	87 Å²	87	84.8 Å²	84.8	57%	0.565	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	149	174.6	28.9	-34.2	0	0	0	112.3	Y513	P490-Y513 WeakPolarHBondContact CA-OH 3.49Å
491	C	80.8	Confident	68.4	Low	17 Å²	17	85.5 Å²	85.5	12%	0.115	50%	0.499	C	S	.	.			trans	-113.5	158	170	-78.7	0	0	0	0	111.2	C430 R439 Y440 S493	C430-C491 WeakPolarHBondContact CA-SG 3.43Å; C430-C491 HydrophobicContact CB-CB 3.71Å; C430-C491 WeakPolarHBondContact CB-SG 3.47Å; C430-C491 WeakPolarHBondContact SG-CB 3.39Å; C430-C491 CovalentContact SG-SG 2.02Å; C430-C491 PolarHBondContact SG-SG 3.02Å; R439-C491 HydrophobicContact CB-CB 3.48Å; R439-C491 VanDerWaalsContact CB-CB 3.48Å; R439-C491 WeakPolarHBondContact O-CB 3.37Å; R439-C491 PolarHBondContact O-N 3.31Å; R439-C491 VanDerWaalsContact O-N 3.14Å; Y440-C491 VanDerWaalsContact C-SG 3.53Å; C491-S493 PolarHBondContact O-N 2.82Å
492	P	80.5	Confident	67.8	Low	94 Å²	94	90 Å²	90	61%	0.61	53%	0.531	S	S	*	.			trans	-57.5	133.7	171.2	-19.7	31.1	0	0	0	110.5	R439	R439-P492 WeakPolarHBondContact CD-O 3.29Å; R439-P492 PolarHBondContact NH1-O 3.07Å
493	S	78.5	Confident	67.2	Low	82 Å²	82	89.3 Å²	89.3	57%	0.573	53%	0.529	S	S	*	.			trans	-64.6	138.2	175.6	52.6	0	0	0	0	111.3	C491	C491-S493 PolarHBondContact O-N 2.82Å
494	L	80.4	Confident	66.2	Low	67 Å²	67	91.1 Å²	91.1	35%	0.351	55%	0.548	S	S	.	.			trans	-113.6	175.2	169.6	-69.3	177.9	0	0	0	110.6	E433 D434 G436	E433-L494 WeakPolarHBondContact O-CD1 3.47Å; D434-L494 VanDerWaalsContact C-CD1 3.47Å; G436-L494 CarbonylContact C-O 3.58Å; G436-L494 PolarHBondContact O-N 2.97Å
495	E	74.8	Confident	64.4	Low	150 Å²	150	97.5 Å²	97.5	70%	0.701	57%	0.566	S	S	*	*	S	Bend	trans	-52.4	142.1	171.3	-69.5	-170	169.1	0	0	110.8	C435 G436 C497	C435-E495 CarbonylContact C-O 3.39Å; C435-E495 WeakPolarHBondContact CA-O 3.49Å; C435-E495 WeakPolarHBondContact CB-O 3.39Å; G436-E495 PolarHBondContact N-O 2.96Å; E495-C497 PolarHBondContact O-N 3.19Å
496	P	74.2	Confident	62.9	Low	84 Å²	84	104.1 Å²	104.1	55%	0.545	60%	0.595	S	S	.	*			trans	-52	138.1	178.5	-23.7	32.3	0	0	0	111.4	F498	P496-F498 PolarHBondContact O-N 2.99Å
497	C	74.8	Confident	61.1	Low	57 Å²	57	107 Å²	107	39%	0.385	61%	0.61	S	S	.	*			trans	-56.3	113.5	173.3	-62.5	0	0	0	0	110.1	C435 E495 K499	C435-C497 VanDerWaalsContact CB-CA 3.47Å; C435-C497 HydrophobicContact CB-CB 3.77Å; C435-C497 WeakPolarHBondContact CB-SG 3.45Å; C435-C497 WeakPolarHBondContact SG-CA 3.46Å; C435-C497 WeakPolarHBondContact SG-CB 3.38Å; C435-C497 CovalentContact SG-SG 2.03Å; C435-C497 PolarHBondContact SG-SG 3.26Å; E495-C497 PolarHBondContact O-N 3.19Å; C497-K499 PolarHBondContact O-N 3.17Å
498	F	69.1	Low	59.3	Low	194 Å²	194	109.5 Å²	109.5	85%	0.851	63%	0.626	S	S	*	*			trans	-57.1	129.2	175.9	-104.7	-89.9	0	0	0	110.5	P496	P496-F498 PolarHBondContact O-N 2.99Å
499	K	47.4	Very low	57.2	Low	190 Å²	190	109.2 Å²	109.2	83%	0.826	64%	0.636	S	S	*	*			trans	-110.3	127.5	162.1	-83.8	-175.5	175.6	179.3	0	109.2	C497	C497-K499 PolarHBondContact O-N 3.17Å
500	S	42.7	Very low	55.5	Low	120 Å²	120	114.5 Å²	114.5	84%	0.839	66%	0.663	S	S	*	*			trans	-63.1	164.8	165	-117.2	0	0	0	0	112.1
501	P	52.2	Low	53.8	Low	114 Å²	114	116.6 Å²	116.6	74%	0.74	66%	0.664	S	S	*	*	S	Bend	trans	-114.3	111	-138.6	34.5	-19.3	0	0	0	113.2
502	S	40	Very low	52.1	Low	120 Å²	120	117.7 Å²	117.7	84%	0.839	67%	0.671	S	S	*	*	S	Bend	trans	176.4	61.2	162.4	28.1	0	0	0	0	111.3
503	S	35.9	Very low	50.5	Low	105 Å²	105	118.2 Å²	118.2	73%	0.734	66%	0.662	S	S	*	*			trans	174	109.4	153	55.6	0	0	0	0	107.2	F505	S503-F505 PolarHBondContact O-N 3.22Å
504	G	41.6	Very low	48.9	Very low	87 Å²	87	121.6 Å²	121.6	90%	0.897	67%	0.669	S	S	*	*			trans	-71.4	54.9	-176.3	0	0	0	0	0	114.8
505	F	33.2	Very low	47.4	Very low	187 Å²	187	122.8 Å²	122.8	82%	0.82	68%	0.679	S	S	*	*			trans	-112.8	99.6	167.4	-92.5	-87.8	0	0	0	109.7	S503 M507	S503-F505 PolarHBondContact O-N 3.22Å; F505-M507 VanDerWaalsContact C-N 3.25Å; F505-M507 PolarHBondContact O-N 3.48Å
506	M	34.2	Very low	46	Very low	174 Å²	174	118.7 Å²	118.7	86%	0.857	66%	0.661	S	S	*	*			trans	-61.3	89.3	160.5	-85.1	-176.2	152.3	0	0	108.4	N508	M506-N508 PolarHBondContact O-N 2.04Å
507	M	34.7	Very low	44.7	Very low	169 Å²	169	123.8 Å²	123.8	83%	0.833	67%	0.671	S	S	*	*			trans	-74.2	84.4	157.2	-88.9	-81.3	-157.5	0	0	106.8	F505 G509	F505-M507 VanDerWaalsContact C-N 3.25Å; F505-M507 PolarHBondContact O-N 3.48Å; M507-G509 PolarHBondContact O-N 3.41Å
508	N	37.1	Very low	43.2	Very low	120 Å²	120	130 Å²	130	64%	0.642	69%	0.688	S	S	*	*			trans	-65.8	75.9	155.1	-82.2	-12.7	0	0	0	106.6	M506 I510	M506-N508 PolarHBondContact O-N 2.04Å; N508-I510 PolarHBondContact O-N 3.47Å
509	G	35.9	Very low	41.9	Very low	48 Å²	48	128 Å²	128	50%	0.495	68%	0.679	S	S	.	*			trans	-67.6	76.5	164.5	0	0	0	0	0	107.2	M507 F511	M507-G509 PolarHBondContact O-N 3.41Å; G509-F511 PolarHBondContact O-N 3.15Å
510	I	38.9	Very low	41.6	Very low	138 Å²	138	122.4 Å²	122.4	71%	0.708	66%	0.661	S	S	*	*			trans	-60.4	95.3	160.7	-61.9	171.1	0	0	0	103.5	N508 S512	N508-I510 PolarHBondContact O-N 3.47Å; I510-S512 PolarHBondContact O-N 2.97Å
511	F	42.4	Very low	41.3	Very low	131 Å²	131	124.5 Å²	124.5	58%	0.575	65%	0.652	S	S	*	*			trans	-64.2	92.2	166.7	-99.3	-91.4	0	0	0	105.7	G509 Y513	G509-F511 PolarHBondContact O-N 3.15Å; F511-Y513 PolarHBondContact O-N 3.3Å
512	S	45.5	Very low	40.7	Very low	40 Å²	40	123.1 Å²	123.1	28%	0.28	64%	0.641	S	S	.	*			trans	-71.3	121.1	169.8	176	0	0	0	0	107.5	I510 E514 T515	I510-S512 PolarHBondContact O-N 2.97Å; S512-E514 PolarHBondContact O-N 3.46Å; S512-E514 VanDerWaalsContact O-N 3.12Å; S512-E514 PolarHBondContact OG-N 2.9Å; S512-T515 PolarHBondContact O-N 3.38Å; S512-T515 PolarHBondContact O-OG1 3.11Å
513	Y	47.7	Very low	40.8	Very low	105 Å²	105	121.6 Å²	121.6	41%	0.412	63%	0.627	S	S	.	*	H	α-helix	trans	-55.7	-26.5	176.1	-85.7	-94.4	0	0	0	112.2	R439 I488 P490 F511 T515 L516	R439-Y513 PolarHBondContact O-OH 2.99Å; I488-Y513 HydrophobicContact CG2-CE1 3.86Å; P490-Y513 WeakPolarHBondContact CA-OH 3.49Å; F511-Y513 PolarHBondContact O-N 3.3Å; Y513-T515 VanDerWaalsContact C-N 3.33Å; Y513-T515 PolarHBondContact O-N 2.82Å; Y513-L516 PolarHBondContact O-N 3.04Å
514	E	43.8	Very low	41.2	Very low	154 Å²	154	121.4 Å²	121.4	72%	0.72	62%	0.622	S	S	*	*	H	α-helix	trans	-66.9	-31.4	178.3	-62.8	171.7	155	0	0	112.7	S512 L516	S512-E514 PolarHBondContact O-N 3.46Å; S512-E514 VanDerWaalsContact O-N 3.12Å; S512-E514 PolarHBondContact OG-N 2.9Å; E514-L516 VanDerWaalsContact C-N 3.32Å; E514-L516 PolarHBondContact O-N 2.9Å
515	T	48.5	Very low	41.1	Very low	92 Å²	92	124.9 Å²	124.9	56%	0.564	61%	0.612	S	S	*	*	H	α-helix	trans	-75.5	-23.8	-177.6	-24.7	0	0	0	0	112.3	S512 Y513	S512-T515 PolarHBondContact O-N 3.38Å; S512-T515 PolarHBondContact O-OG1 3.11Å; Y513-T515 VanDerWaalsContact C-N 3.33Å; Y513-T515 PolarHBondContact O-N 2.82Å
516	L	45.9	Very low	41.1	Very low	63 Å²	63	122.5 Å²	122.5	33%	0.33	61%	0.607	S	S	.	*	H	α-helix	trans	-78.8	-28.3	-179.1	-160.1	137.4	0	0	0	112.4	I488 Y513 E514 Y518 F519 T520	I488-L516 HydrophobicContact CD1-CD1 3.9Å; I488-L516 HydrophobicContact CD1-CD2 3.36Å; I488-L516 HydrophobicContact CD1-CG 4.27Å; I488-L516 HydrophobicContact CG1-CD2 4.33Å; Y513-L516 PolarHBondContact O-N 3.04Å; E514-L516 VanDerWaalsContact C-N 3.32Å; E514-L516 PolarHBondContact O-N 2.9Å; L516-Y518 PolarHBondContact O-N 3.43Å; L516-F519 PolarHBondContact O-N 3Å; L516-F519 VanDerWaalsContact O-N 3.09Å; L516-T520 HydrophobicContact CD2-CG2 4.43Å; L516-T520 PolarHBondContact O-N 2.9Å
517	Y	47.9	Very low	41.2	Very low	191 Å²	191	126.4 Å²	126.4	75%	0.749	62%	0.619	S	S	*	*	H	α-helix	trans	-61.2	-28.6	173.2	-122.1	-81.8	0	0	0	112.6	T520	Y517-T520 PolarHBondContact O-OG1 3.34Å
518	Y	43.7	Very low	41.5	Very low	188 Å²	188	124.3 Å²	124.3	74%	0.737	61%	0.609	S	S	*	*	H	α-helix	trans	-74.7	-32.2	174.6	-85.6	-80.6	0	0	0	113.1	L516 T522	L516-Y518 PolarHBondContact O-N 3.43Å; Y518-T522 PolarHBondContact O-OG1 2.88Å
519	F	41.6	Very low	41.8	Very low	152 Å²	152	124.5 Å²	124.5	67%	0.667	61%	0.607	S	S	*	*	H	α-helix	trans	-74.1	-31.7	-176.2	-131.2	-83.8	0	0	0	112.8	L516 T522 T523	L516-F519 PolarHBondContact O-N 3Å; L516-F519 VanDerWaalsContact O-N 3.09Å; F519-T522 PolarHBondContact O-OG1 3.36Å; F519-T523 PolarHBondContact O-OG1 3.08Å; F519-T523 VanDerWaalsContact O-OG1 3.12Å
520	T	39.8	Very low	42.1	Very low	72 Å²	72	128.8 Å²	128.8	44%	0.442	61%	0.613	S	S	.	*	H	α-helix	trans	-74.6	-29.5	177.1	51.1	0	0	0	0	112.8	L516 Y517 T523 T524	L516-T520 HydrophobicContact CD2-CG2 4.43Å; L516-T520 PolarHBondContact O-N 2.9Å; Y517-T520 PolarHBondContact O-OG1 3.34Å; T520-T523 PolarHBondContact O-OG1 3.2Å; T520-T524 PolarHBondContact O-N 3.3Å; T520-T524 PolarHBondContact O-OG1 3.48Å
521	Y	37.3	Very low	42.3	Very low	164 Å²	164	128.2 Å²	128.2	64%	0.643	61%	0.608	S	S	*	*	H	α-helix	trans	-70.6	-34	175.8	-149.6	-89.4	0	0	0	112.3	T524 F525	Y521-T524 PolarHBondContact O-OG1 3.5Å; Y521-F525 HydrophobicContact CE1-CD2 4.3Å; Y521-F525 AromaticContact CE1-CE2 3.87Å; Y521-F525 HydrophobicContact CE1-CE2 3.87Å
522	T	39.7	Very low	42.3	Very low	86 Å²	86	128.1 Å²	128.1	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-72.7	-27.3	177.2	35.8	0	0	0	0	114.3	Y518 F519	Y518-T522 PolarHBondContact O-OG1 2.88Å; F519-T522 PolarHBondContact O-OG1 3.36Å
523	T	42.4	Very low	42	Very low	88 Å²	88	133.9 Å²	133.9	54%	0.54	63%	0.632	S	S	.	*	H	α-helix	trans	-84.7	-20	-178.8	35.5	0	0	0	0	113.3	F519 T520 F525	F519-T523 PolarHBondContact O-OG1 3.08Å; F519-T523 VanDerWaalsContact O-OG1 3.12Å; T520-T523 PolarHBondContact O-OG1 3.2Å; T523-F525 VanDerWaalsContact C-N 3.32Å
524	T	43.1	Very low	41.6	Very low	101 Å²	101	136 Å²	136	62%	0.62	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-10.4	176.3	19.5	0	0	0	0	114.2	T520 Y521	T520-T524 PolarHBondContact O-N 3.3Å; T520-T524 PolarHBondContact O-OG1 3.48Å; Y521-T524 PolarHBondContact O-OG1 3.5Å
525	F	39.7	Very low	41.5	Very low	160 Å²	160	134.6 Å²	134.6	70%	0.702	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	5.9	177.9	-90.6	-79.5	0	0	0	115	Y521 T523	Y521-F525 HydrophobicContact CE1-CD2 4.3Å; Y521-F525 AromaticContact CE1-CE2 3.87Å; Y521-F525 HydrophobicContact CE1-CE2 3.87Å; T523-F525 VanDerWaalsContact C-N 3.32Å
526	I	32.7	Very low	40.9	Very low	137 Å²	137	138.2 Å²	138.2	70%	0.703	65%	0.648	S	S	*	*			trans	-115.6	6.7	-179.7	-62.2	179.6	0	0	0	113.5
527	F	37.1	Very low	40.4	Very low	256 Å²	256	145 Å²	145	100%	1.123	68%	0.677	S	S	*	*			trans	-129.2	0	165.3	-77.5	-82.4	0	0	0	109.8

Retrieved 527 of 527 residues in 631.1 ms (Link to these results)

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