A0A3Q0KL60_SCHMA Loading...

Cytochrome-b5 reductase

AlphaFold DB , UniProt , Accession A0A3Q0KL60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 628 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.3	Very low	34.5	Very low	242 Å²	242	151.6 Å²	151.6	100%	1.192	83%	0.827	S	S	*	*				0	94.4	0	-79.9	-154.5	175.9	0	0	107
2	D	37.9	Very low	34.5	Very low	148 Å²	148	151.2 Å²	151.2	79%	0.791	82%	0.823	S	S	*	*			trans	-69.2	162.1	-179.8	-61.6	-58.2	0	0	0	112.4
3	N	43.3	Very low	34.5	Very low	158 Å²	158	152.2 Å²	152.2	85%	0.845	83%	0.826	S	S	*	*			trans	75.1	65.4	161.5	-63	-14.9	0	0	0	117.9
4	K	36.5	Very low	34.6	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	80%	0.8	S	S	*	*			trans	-85.6	120.7	147.8	-77.8	-173.5	178.3	-179	0	108.9	Q6	K4-Q6 PolarHBondContact O-N 2.74Å
5	P	37.4	Very low	35	Very low	130 Å²	130	142.1 Å²	142.1	84%	0.844	78%	0.782	S	S	*	*			trans	-68.3	116.1	-177.8	26.6	-31.3	0	0	0	110	C7	P5-C7 PolarHBondContact O-N 3.2Å
6	Q	33.6	Very low	35.9	Very low	193 Å²	193	140.1 Å²	140.1	90%	0.902	77%	0.771	S	S	*	*			trans	-84.1	103.9	169.7	-76.9	-176.7	-20.8	0	0	108.5	K4 S8	K4-Q6 PolarHBondContact O-N 2.74Å; Q6-S8 PolarHBondContact O-N 3.21Å
7	C	27.5	Very low	36.4	Very low	112 Å²	112	142.5 Å²	142.5	76%	0.757	77%	0.771	S	S	*	*			trans	-78.6	101.1	167.5	-176.5	0	0	0	0	108.2	P5 I9	P5-C7 PolarHBondContact O-N 3.2Å; C7-I9 PolarHBondContact O-N 2.97Å
8	S	30.6	Very low	36.8	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	75%	0.752	S	S	*	*			trans	-84.7	99.6	169.3	57.3	0	0	0	0	108.8	Q6 S10	Q6-S8 PolarHBondContact O-N 3.21Å; S8-S10 PolarHBondContact O-N 3.14Å; S8-S10 VanDerWaalsContact O-N 3.11Å
9	I	30	Very low	37	Very low	132 Å²	132	137.5 Å²	137.5	68%	0.677	74%	0.74	S	S	*	*			trans	-74.1	98	169.4	-62.8	172.9	0	0	0	106.9	C7 L11	C7-I9 PolarHBondContact O-N 2.97Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 HydrophobicContact CG2-CG 4.07Å; I9-L11 PolarHBondContact O-N 3.36Å; I9-L11 VanDerWaalsContact O-N 3.12Å
10	S	28.6	Very low	37.1	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	74%	0.738	S	S	*	*			trans	-76.1	92.4	164.8	61.5	0	0	0	0	107.5	S8 D12	S8-S10 PolarHBondContact O-N 3.14Å; S8-S10 VanDerWaalsContact O-N 3.11Å; S10-D12 PolarHBondContact O-N 3.44Å
11	L	31.9	Very low	37.4	Very low	141 Å²	141	136.7 Å²	136.7	74%	0.738	73%	0.727	S	S	*	*			trans	-62.7	106.3	162.4	-77.4	157.6	0	0	0	106.1	I9 L13	I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 HydrophobicContact CG2-CG 4.07Å; I9-L11 PolarHBondContact O-N 3.36Å; I9-L11 VanDerWaalsContact O-N 3.12Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.06Å
12	D	34.6	Very low	37.3	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	70%	0.704	S	S	*	*			trans	-54.4	101.4	164.9	-82.7	-31.3	0	0	0	106.2	S10 V14	S10-D12 PolarHBondContact O-N 3.44Å; D12-V14 PolarHBondContact O-N 3.07Å
13	L	34.6	Very low	37.4	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	69%	0.694	S	S	*	*			trans	-66.8	80.8	177.6	-74.9	164.3	0	0	0	106.6	L11 S15	L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.06Å; L13-S15 PolarHBondContact O-N 3.3Å
14	V	35.7	Very low	37.4	Very low	77 Å²	77	136 Å²	136	47%	0.467	70%	0.695	S	S	.	*			trans	-46.9	117	164.8	176	0	0	0	0	105.5	D12 N16 E18	D12-V14 PolarHBondContact O-N 3.07Å; V14-N16 PolarHBondContact O-N 3.37Å; V14-E18 HydrophobicContact CG1-CB 3.75Å; V14-E18 WeakPolarHBondContact CG1-OE2 3.36Å
15	S	41.3	Very low	38.1	Very low	76 Å²	76	130.7 Å²	130.7	53%	0.531	68%	0.684	S	S	.	*			trans	-48	134.4	-166.6	73.7	0	0	0	0	110.1	L13 K17 E18	L13-S15 PolarHBondContact O-N 3.3Å; S15-K17 PolarHBondContact O-N 2.82Å; S15-E18 PolarHBondContact O-N 2.73Å
16	N	48.6	Very low	38.8	Very low	111 Å²	111	127.6 Å²	127.6	59%	0.594	67%	0.665	S	S	*	*	H	α-helix	trans	-48.2	-19.4	-173.7	-127.4	-48.7	0	0	0	114.2	V14 R20	V14-N16 PolarHBondContact O-N 3.37Å; N16-R20 VanDerWaalsContact O-CB 3.26Å; N16-R20 WeakPolarHBondContact O-CB 3.36Å; N16-R20 WeakPolarHBondContact O-CG 3.47Å; N16-R20 PolarHBondContact O-N 3.41Å; N16-R20 VanDerWaalsContact O-N 3.1Å
17	K	44.6	Very low	40.5	Very low	180 Å²	180	122 Å²	122	78%	0.783	64%	0.64	S	S	*	*	H	α-helix	trans	-67.4	-38.7	174.1	-121.7	179	179.8	-179.4	0	113.5	S15 S21	S15-K17 PolarHBondContact O-N 2.82Å; K17-S21 PolarHBondContact O-N 3.47Å; K17-S21 VanDerWaalsContact O-N 3.09Å
18	E	43.8	Very low	42.6	Very low	92 Å²	92	117.5 Å²	117.5	43%	0.43	61%	0.612	S	S	.	*	H	α-helix	trans	-78.3	-36.2	-179.6	-128.7	-173	138.8	0	0	111.8	V14 S15 S21 R22	V14-E18 HydrophobicContact CG1-CB 3.75Å; V14-E18 WeakPolarHBondContact CG1-OE2 3.36Å; S15-E18 PolarHBondContact O-N 2.73Å; E18-S21 PolarHBondContact O-N 2.94Å; E18-S21 PolarHBondContact O-OG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.3Å; E18-R22 PolarHBondContact O-N 3.43Å; E18-R22 VanDerWaalsContact O-N 3.08Å; E18-R22 IonicContact OE1-NH2 2.64Å; E18-R22 PolarHBondContact OE1-NH2 3.11Å
19	L	41.2	Very low	44.8	Very low	99 Å²	99	115.2 Å²	115.2	52%	0.518	59%	0.591	S	S	.	*	H	α-helix	trans	-66.7	-41.8	173.5	-145.2	86.3	0	0	0	110.9	S21 R22 I23	L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 2.92Å; L19-R22 PolarHBondContact O-N 2.78Å; L19-I23 WeakPolarHBondContact O-CG1 3.4Å; L19-I23 PolarHBondContact O-N 3.31Å
20	R	38.4	Very low	46.8	Very low	184 Å²	184	111.3 Å²	111.3	69%	0.694	58%	0.583	S	S	*	*	H	α-helix	trans	-67.1	-26.3	174.8	-74.9	177.7	-176.6	-166.8	-0.9	113.6	N16	N16-R20 VanDerWaalsContact O-CB 3.26Å; N16-R20 WeakPolarHBondContact O-CB 3.36Å; N16-R20 WeakPolarHBondContact O-CG 3.47Å; N16-R20 PolarHBondContact O-N 3.41Å; N16-R20 VanDerWaalsContact O-N 3.1Å
21	S	42.3	Very low	49.4	Very low	73 Å²	73	113.7 Å²	113.7	51%	0.51	58%	0.578	S	S	.	*	H	α-helix	trans	-79.7	-29.8	174.4	71.1	0	0	0	0	112.7	K17 E18 L19	K17-S21 PolarHBondContact O-N 3.47Å; K17-S21 VanDerWaalsContact O-N 3.09Å; E18-S21 PolarHBondContact O-N 2.94Å; E18-S21 PolarHBondContact O-OG 3.29Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 2.92Å
22	R	40.9	Very low	52	Low	190 Å²	190	107 Å²	107	72%	0.717	54%	0.543	S	S	*	.	H	α-helix	trans	-76.8	-30.3	173.9	-71	-174.6	-165.3	-171.6	7.2	113.2	E18 L19 R24	E18-R22 WeakPolarHBondContact O-CG 3.3Å; E18-R22 PolarHBondContact O-N 3.43Å; E18-R22 VanDerWaalsContact O-N 3.08Å; E18-R22 IonicContact OE1-NH2 2.64Å; E18-R22 PolarHBondContact OE1-NH2 3.11Å; L19-R22 PolarHBondContact O-N 2.78Å; R22-R24 PolarHBondContact O-N 2.89Å
23	I	39.8	Very low	54.2	Low	114 Å²	114	103.6 Å²	103.6	59%	0.585	52%	0.524	S	S	*	.	S	Bend	trans	-75.1	68.2	161.4	-52.7	164.1	0	0	0	107	L19 S25	L19-I23 WeakPolarHBondContact O-CG1 3.4Å; L19-I23 PolarHBondContact O-N 3.31Å; I23-S25 PolarHBondContact O-N 3.11Å
24	R	43.4	Very low	56.4	Low	229 Å²	229	98.8 Å²	98.8	86%	0.864	51%	0.509	S	S	*	.			trans	-60	97.1	156.9	-87.2	-175.4	176.3	176.6	-1.1	104.9	R22 S26	R22-R24 PolarHBondContact O-N 2.89Å; R24-S26 PolarHBondContact O-N 3.19Å
25	S	51	Low	58.8	Low	90 Å²	90	96.8 Å²	96.8	63%	0.629	49%	0.493	S	S	*	.			trans	-53.4	102.8	179.3	55.3	0	0	0	0	107.8	I23 M27	I23-S25 PolarHBondContact O-N 3.11Å; S25-M27 PolarHBondContact O-N 2.89Å; S25-M27 VanDerWaalsContact O-N 3.09Å
26	S	53.6	Low	60.9	Low	65 Å²	65	94.5 Å²	94.5	46%	0.455	48%	0.476	S	S	.	.			trans	-58.3	118.9	156.9	52.7	0	0	0	0	104.7	R24 G28 A85	R24-S26 PolarHBondContact O-N 3.19Å; S26-G28 PolarHBondContact O-N 2.93Å; S26-G28 VanDerWaalsContact O-N 3.12Å; S26-A85 CarbonylContact C-O 3.59Å; S26-A85 WeakPolarHBondContact CA-O 3.33Å
27	M	67.4	Low	62.7	Low	75 Å²	75	97.1 Å²	97.1	37%	0.369	48%	0.482	S	S	.	.			trans	-61.4	-25.6	-175.1	-66.3	174.3	72.9	0	0	109.6	S25 Y31 A85 Y86	S25-M27 PolarHBondContact O-N 2.89Å; S25-M27 VanDerWaalsContact O-N 3.09Å; M27-Y31 HydrophobicContact CB-CG 4.19Å; M27-Y31 HydrophobicContact CE-CD1 4.11Å; M27-Y31 HydrophobicContact CE-CG 4.48Å; M27-Y31 WeakPolarHBondContact O-CD2 3.08Å; M27-Y31 WeakPolarHBondContact O-CE2 3.35Å; M27-A85 PolarHBondContact N-O 3.12Å; M27-Y86 HydrophobicContact CB-CD1 3.54Å; M27-Y86 HydrophobicContact CB-CE1 3.79Å; M27-Y86 HydrophobicContact CB-CG 4.22Å; M27-Y86 HydrophobicContact CE-CD1 4.38Å; M27-Y86 HydrophobicContact CE-CE1 3.43Å; M27-Y86 VanDerWaalsContact CE-CE1 3.43Å; M27-Y86 WeakPolarHBondContact CE-OH 3.32Å; M27-Y86 HydrophobicContact CG-CD1 4.39Å; M27-Y86 HydrophobicContact CG-CE1 4.25Å; M27-Y86 HydrophobicContact SD-CD1 4.11Å; M27-Y86 HydrophobicContact SD-CE1 3.45Å; M27-Y86 WeakPolarHBondContact SD-CE1 3.22Å; M27-Y86 HydrophobicContact SD-CE2 4.12Å
28	G	71.6	Confident	64.7	Low	17 Å²	17	90.3 Å²	90.3	18%	0.175	46%	0.457	C	S	.	.	H	α-helix	trans	78.7	167.7	176.2	0	0	0	0	0	112.6	S26 G30 Y31 W32 Y86	S26-G28 PolarHBondContact O-N 2.93Å; S26-G28 VanDerWaalsContact O-N 3.12Å; G28-G30 VanDerWaalsContact C-N 3.28Å; G28-G30 PolarHBondContact O-N 2.8Å; G28-Y31 PolarHBondContact O-N 2.94Å; G28-W32 PolarHBondContact O-N 3.29Å; G28-Y86 CarbonylContact C-O 3.54Å; G28-Y86 VanDerWaalsContact CA-O 3.26Å; G28-Y86 WeakPolarHBondContact CA-O 3.47Å
29	I	77.4	Confident	66.8	Low	63 Å²	63	94 Å²	94	32%	0.323	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-28.2	-168.3	-159.4	65.7	0	0	0	113.5	Y31 W32 N33 F83 Y86 P88 M117	I29-Y31 VanDerWaalsContact C-N 3.33Å; I29-Y31 PolarHBondContact O-N 3.12Å; I29-W32 HydrophobicContact CD1-CB 4.22Å; I29-W32 HydrophobicContact CD1-CG 4.5Å; I29-W32 WeakPolarHBondContact O-CB 3.5Å; I29-W32 PolarHBondContact O-N 3.17Å; I29-N33 PolarHBondContact O-N 2.9Å; I29-F83 HydrophobicContact CD1-CE2 4.11Å; I29-F83 HydrophobicContact CD1-CZ 4.46Å; I29-Y86 PolarHBondContact N-O 2.83Å; I29-P88 HydrophobicContact CB-CG 4.01Å; I29-M117 HydrophobicContact CD1-SD 3.82Å
30	G	72.6	Confident	69.1	Low	50 Å²	50	95.5 Å²	95.5	52%	0.515	48%	0.476	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.7	0	0	0	0	0	112.5	G28 N33 A34	G28-G30 VanDerWaalsContact C-N 3.28Å; G28-G30 PolarHBondContact O-N 2.8Å; G30-N33 PolarHBondContact O-N 3.27Å; G30-A34 PolarHBondContact O-N 2.93Å
31	Y	82.3	Confident	71.5	Confident	152 Å²	152	87.1 Å²	87.1	60%	0.596	45%	0.445	S	S	*	.	H	α-helix	trans	-71.7	-32.8	176	-73.8	-100.1	0	0	0	111.9	M27 G28 I29 A34 Y35	M27-Y31 HydrophobicContact CB-CG 4.19Å; M27-Y31 HydrophobicContact CE-CD1 4.11Å; M27-Y31 HydrophobicContact CE-CG 4.48Å; M27-Y31 WeakPolarHBondContact O-CD2 3.08Å; M27-Y31 WeakPolarHBondContact O-CE2 3.35Å; G28-Y31 PolarHBondContact O-N 2.94Å; I29-Y31 VanDerWaalsContact C-N 3.33Å; I29-Y31 PolarHBondContact O-N 3.12Å; Y31-A34 PolarHBondContact O-N 3.4Å; Y31-Y35 WeakPolarHBondContact O-CB 3.44Å; Y31-Y35 PolarHBondContact O-N 3.11Å
32	W	87	Confident	73.7	Confident	0 Å²	0	87.9 Å²	87.9	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-62.3	-46.4	172.3	-174.9	-110.6	0	0	0	111.4	G28 I29 A34 Y35 T36 Y41 F83 Y86 M117 I118 L121	G28-W32 PolarHBondContact O-N 3.29Å; I29-W32 HydrophobicContact CD1-CB 4.22Å; I29-W32 HydrophobicContact CD1-CG 4.5Å; I29-W32 WeakPolarHBondContact O-CB 3.5Å; I29-W32 PolarHBondContact O-N 3.17Å; W32-A34 PolarHBondContact O-N 2.64Å; W32-Y35 HydrophobicContact CD2-CD1 4.45Å; W32-Y35 AromaticContact CE3-CD1 3.7Å; W32-Y35 HydrophobicContact CE3-CD1 3.7Å; W32-Y35 HydrophobicContact CE3-CE1 4.46Å; W32-Y35 HydrophobicContact CE3-CG 4.41Å; W32-Y35 AromaticContact CH2-CD1 3.8Å; W32-Y35 HydrophobicContact CH2-CD1 3.8Å; W32-Y35 AromaticContact CH2-CE1 3.89Å; W32-Y35 HydrophobicContact CH2-CE1 3.89Å; W32-Y35 AromaticContact CZ3-CD1 3.34Å; W32-Y35 HydrophobicContact CZ3-CD1 3.34Å; W32-Y35 AromaticContact CZ3-CE1 3.67Å; W32-Y35 HydrophobicContact CZ3-CE1 3.67Å; W32-Y35 HydrophobicContact CZ3-CG 4.37Å; W32-Y35 CarbonylContact O-C 3.54Å; W32-Y35 WeakPolarHBondContact O-CA 3.15Å; W32-Y35 WeakPolarHBondContact O-CB 3.44Å; W32-Y35 PolarHBondContact O-N 3.18Å; W32-T36 HydrophobicContact CD2-CG2 4.25Å; W32-T36 HydrophobicContact CG-CG2 4.34Å; W32-T36 HydrophobicContact CZ2-CG2 4.17Å; W32-T36 WeakPolarHBondContact O-CG2 3.07Å; W32-T36 PolarHBondContact O-N 3.48Å; W32-T36 PolarHBondContact O-OG1 2.96Å; W32-Y41 HydrophobicContact CH2-CD2 4.28Å; W32-Y41 HydrophobicContact CH2-CE2 4.07Å; W32-Y41 HydrophobicContact CZ2-CD2 4.29Å; W32-Y41 AromaticContact CZ2-CE2 3.72Å; W32-Y41 HydrophobicContact CZ2-CE2 3.72Å; W32-F83 AromaticContact CD1-CE2 3.88Å; W32-F83 AromaticContact CD2-CD2 3.51Å; W32-F83 HydrophobicContact CD2-CD2 3.51Å; W32-F83 HydrophobicContact CD2-CE2 4.07Å; W32-F83 AromaticContact CE2-CD2 3.5Å; W32-F83 VanDerWaalsContact CE2-CD2 3.5Å; W32-F83 AromaticContact CE3-CD2 3.9Å; W32-F83 HydrophobicContact CE3-CD2 3.9Å; W32-F83 AromaticContact CG-CD2 3.89Å; W32-F83 HydrophobicContact CG-CD2 3.89Å; W32-F83 AromaticContact CG-CE2 3.93Å; W32-F83 HydrophobicContact CG-CE2 3.93Å; W32-F83 HydrophobicContact CH2-CB 3.9Å; W32-F83 HydrophobicContact CH2-CD2 4.25Å; W32-F83 HydrophobicContact CZ2-CB 4.15Å; W32-F83 AromaticContact CZ2-CD2 3.9Å; W32-F83 HydrophobicContact CZ2-CD2 3.9Å; W32-F83 HydrophobicContact CZ2-CG 4.42Å; W32-F83 HydrophobicContact CZ3-CB 4.11Å; W32-F83 HydrophobicContact CZ3-CD2 4.23Å; W32-F83 AromaticContact NE1-CD2 3.82Å; W32-F83 AromaticContact NE1-CE2 3.97Å; W32-Y86 HydrophobicContact CB-CD1 4.03Å; W32-Y86 HydrophobicContact CB-CG 4.11Å; W32-Y86 HydrophobicContact CD2-CG 4.49Å; W32-Y86 HydrophobicContact CE3-CD1 4.22Å; W32-Y86 AromaticContact CE3-CD2 3.57Å; W32-Y86 HydrophobicContact CE3-CD2 3.57Å; W32-Y86 AromaticContact CE3-CE2 3.96Å; W32-Y86 HydrophobicContact CE3-CE2 3.96Å; W32-Y86 AromaticContact CE3-CG 3.73Å; W32-Y86 HydrophobicContact CE3-CG 3.73Å; W32-Y86 AromaticContact CZ3-CD2 3.99Å; W32-Y86 HydrophobicContact CZ3-CD2 3.99Å; W32-Y86 HydrophobicContact CZ3-CE2 4.14Å; W32-M117 PolarHBondContact NE1-O 3.31Å; W32-I118 HydrophobicContact CZ2-CG2 4.08Å; W32-L121 HydrophobicContact CH2-CD1 3.83Å; W32-L121 HydrophobicContact CZ2-CD1 3.95Å
33	N	79.9	Confident	76	Confident	74 Å²	74	82.5 Å²	82.5	40%	0.396	43%	0.434	S	S	.	.	H	α-helix	trans	-62.1	-29	177.9	-70.6	-18.5	0	0	0	113.1	I29 G30 T36	I29-N33 PolarHBondContact O-N 2.9Å; G30-N33 PolarHBondContact O-N 3.27Å; N33-T36 PolarHBondContact O-OG1 2.9Å
34	A	81.4	Confident	78.4	Confident	64 Å²	64	79.4 Å²	79.4	53%	0.529	42%	0.417	S	S	.	.	H	α-helix	trans	-73.3	-43.2	169.5	0	0	0	0	0	111.2	G30 Y31 W32 T36 K37	G30-A34 PolarHBondContact O-N 2.93Å; Y31-A34 PolarHBondContact O-N 3.4Å; W32-A34 PolarHBondContact O-N 2.64Å; A34-T36 VanDerWaalsContact C-N 3.34Å; A34-T36 PolarHBondContact O-N 2.92Å; A34-K37 WeakPolarHBondContact O-CB 3.43Å; A34-K37 PolarHBondContact O-N 2.89Å; A34-K37 VanDerWaalsContact O-N 3.13Å
35	Y	85.3	Confident	80.5	Confident	34 Å²	34	76.7 Å²	76.7	13%	0.133	41%	0.412	C	S	.	.	H	α-helix	trans	-61.1	-38.7	177.3	-179.3	-107.6	0	0	0	112.7	Y31 W32 K37 S38 K40 Y41	Y31-Y35 WeakPolarHBondContact O-CB 3.44Å; Y31-Y35 PolarHBondContact O-N 3.11Å; W32-Y35 HydrophobicContact CD2-CD1 4.45Å; W32-Y35 AromaticContact CE3-CD1 3.7Å; W32-Y35 HydrophobicContact CE3-CD1 3.7Å; W32-Y35 HydrophobicContact CE3-CE1 4.46Å; W32-Y35 HydrophobicContact CE3-CG 4.41Å; W32-Y35 AromaticContact CH2-CD1 3.8Å; W32-Y35 HydrophobicContact CH2-CD1 3.8Å; W32-Y35 AromaticContact CH2-CE1 3.89Å; W32-Y35 HydrophobicContact CH2-CE1 3.89Å; W32-Y35 AromaticContact CZ3-CD1 3.34Å; W32-Y35 HydrophobicContact CZ3-CD1 3.34Å; W32-Y35 AromaticContact CZ3-CE1 3.67Å; W32-Y35 HydrophobicContact CZ3-CE1 3.67Å; W32-Y35 HydrophobicContact CZ3-CG 4.37Å; W32-Y35 CarbonylContact O-C 3.54Å; W32-Y35 WeakPolarHBondContact O-CA 3.15Å; W32-Y35 WeakPolarHBondContact O-CB 3.44Å; W32-Y35 PolarHBondContact O-N 3.18Å; Y35-K37 PolarHBondContact O-N 3.22Å; Y35-K37 VanDerWaalsContact O-N 3.14Å; Y35-S38 VanDerWaalsContact O-CB 3.23Å; Y35-S38 WeakPolarHBondContact O-CB 3.31Å; Y35-S38 PolarHBondContact O-N 3.39Å; Y35-S38 PolarHBondContact O-OG 3Å; Y35-K40 HydrophobicContact CE2-CB 4.43Å; Y35-K40 HydrophobicContact CE2-CD 4.23Å; Y35-K40 HydrophobicContact CE2-CG 4.44Å; Y35-Y41 HydrophobicContact CD1-CD2 4.07Å; Y35-Y41 HydrophobicContact CD1-CG 4.47Å; Y35-Y41 AromaticContact CE1-CD2 3.76Å; Y35-Y41 HydrophobicContact CE1-CD2 3.76Å; Y35-Y41 HydrophobicContact CE1-CG 4.31Å; Y35-Y41 VanDerWaalsContact O-CB 3.25Å; Y35-Y41 WeakPolarHBondContact O-CB 3.46Å
36	T	86	Confident	82.4	Confident	28 Å²	28	75.3 Å²	75.3	17%	0.172	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.9	177.7	56.6	0	0	0	0	113.4	W32 N33 A34 Y41	W32-T36 HydrophobicContact CD2-CG2 4.25Å; W32-T36 HydrophobicContact CG-CG2 4.34Å; W32-T36 HydrophobicContact CZ2-CG2 4.17Å; W32-T36 WeakPolarHBondContact O-CG2 3.07Å; W32-T36 PolarHBondContact O-N 3.48Å; W32-T36 PolarHBondContact O-OG1 2.96Å; N33-T36 PolarHBondContact O-OG1 2.9Å; A34-T36 VanDerWaalsContact C-N 3.34Å; A34-T36 PolarHBondContact O-N 2.92Å; T36-Y41 VanDerWaalsContact CA-CD1 3.48Å; T36-Y41 HydrophobicContact CG2-CD1 4.17Å; T36-Y41 HydrophobicContact CG2-CD2 4.37Å; T36-Y41 HydrophobicContact CG2-CE1 3.9Å; T36-Y41 HydrophobicContact CG2-CE2 4.11Å; T36-Y41 HydrophobicContact CG2-CG 4.39Å; T36-Y41 VanDerWaalsContact O-CD1 3.31Å; T36-Y41 WeakPolarHBondContact O-CD1 3.47Å
37	K	86.5	Confident	84.1	Confident	167 Å²	167	74.7 Å²	74.7	73%	0.726	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.8	172.3	-61.9	177	-175.6	-178.5	0	113	A34 Y35	A34-K37 WeakPolarHBondContact O-CB 3.43Å; A34-K37 PolarHBondContact O-N 2.89Å; A34-K37 VanDerWaalsContact O-N 3.13Å; Y35-K37 PolarHBondContact O-N 3.22Å; Y35-K37 VanDerWaalsContact O-N 3.14Å
38	S	87.9	Confident	85.1	Confident	36 Å²	36	76.5 Å²	76.5	25%	0.252	41%	0.405	S	S	.	.	S	Bend	trans	-74.1	147.8	179.4	75.3	0	0	0	0	111.4	Y35 K40 Y41 L42	Y35-S38 VanDerWaalsContact O-CB 3.23Å; Y35-S38 WeakPolarHBondContact O-CB 3.31Å; Y35-S38 PolarHBondContact O-N 3.39Å; Y35-S38 PolarHBondContact O-OG 3Å; S38-K40 PolarHBondContact O-N 2.73Å; S38-K40 VanDerWaalsContact O-N 3.16Å; S38-Y41 PolarHBondContact O-N 2.94Å; S38-Y41 PolarHBondContact OG-N 3.42Å; S38-L42 WeakPolarHBondContact O-CG 3.24Å; S38-L42 PolarHBondContact O-N 2.95Å
39	E	87.9	Confident	86	Confident	170 Å²	170	80.4 Å²	80.4	79%	0.794	42%	0.42	S	S	*	.	H	α-helix	trans	-55.6	-33.1	174.1	-169.8	176.9	-170.6	0	0	112	Y41 L42 S43	E39-Y41 PolarHBondContact O-N 2.97Å; E39-L42 PolarHBondContact O-N 3.23Å; E39-S43 WeakPolarHBondContact O-CB 3.38Å; E39-S43 PolarHBondContact O-N 3.32Å; E39-S43 PolarHBondContact O-OG 2.94Å
40	K	88.3	Confident	86.5	Confident	131 Å²	131	84.3 Å²	84.3	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-63.4	-37	177.5	-172.3	175.3	178.7	-179.8	0	113.1	Y35 S38 S43	Y35-K40 HydrophobicContact CE2-CB 4.43Å; Y35-K40 HydrophobicContact CE2-CD 4.23Å; Y35-K40 HydrophobicContact CE2-CG 4.44Å; S38-K40 PolarHBondContact O-N 2.73Å; S38-K40 VanDerWaalsContact O-N 3.16Å; K40-S43 PolarHBondContact O-OG 3.39Å; K40-S43 VanDerWaalsContact O-OG 3.08Å
41	Y	89.5	Confident	87.3	Confident	8 Å²	8	82.3 Å²	82.3	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-79.4	-38.2	174.2	-179.2	-95.6	0	0	0	111.1	W32 Y35 T36 S38 E39 S43 E44 M117 R120 L121	W32-Y41 HydrophobicContact CH2-CD2 4.28Å; W32-Y41 HydrophobicContact CH2-CE2 4.07Å; W32-Y41 HydrophobicContact CZ2-CD2 4.29Å; W32-Y41 AromaticContact CZ2-CE2 3.72Å; W32-Y41 HydrophobicContact CZ2-CE2 3.72Å; Y35-Y41 HydrophobicContact CD1-CD2 4.07Å; Y35-Y41 HydrophobicContact CD1-CG 4.47Å; Y35-Y41 AromaticContact CE1-CD2 3.76Å; Y35-Y41 HydrophobicContact CE1-CD2 3.76Å; Y35-Y41 HydrophobicContact CE1-CG 4.31Å; Y35-Y41 VanDerWaalsContact O-CB 3.25Å; Y35-Y41 WeakPolarHBondContact O-CB 3.46Å; T36-Y41 VanDerWaalsContact CA-CD1 3.48Å; T36-Y41 HydrophobicContact CG2-CD1 4.17Å; T36-Y41 HydrophobicContact CG2-CD2 4.37Å; T36-Y41 HydrophobicContact CG2-CE1 3.9Å; T36-Y41 HydrophobicContact CG2-CE2 4.11Å; T36-Y41 HydrophobicContact CG2-CG 4.39Å; T36-Y41 VanDerWaalsContact O-CD1 3.31Å; T36-Y41 WeakPolarHBondContact O-CD1 3.47Å; S38-Y41 PolarHBondContact O-N 2.94Å; S38-Y41 PolarHBondContact OG-N 3.42Å; E39-Y41 PolarHBondContact O-N 2.97Å; Y41-S43 PolarHBondContact O-N 3.49Å; Y41-E44 VanDerWaalsContact O-CB 3.29Å; Y41-E44 WeakPolarHBondContact O-CB 3.44Å; Y41-E44 PolarHBondContact O-N 2.71Å; Y41-E44 VanDerWaalsContact O-N 3.09Å; Y41-M117 PolarHBondContact OH-O 3.34Å; Y41-R120 HydrophobicContact CE1-CB 3.97Å; Y41-R120 HydrophobicContact CE1-CG 3.92Å; Y41-R120 HydrophobicContact CE2-CB 4.23Å; Y41-R120 WeakPolarHBondContact O-CD 3.3Å; Y41-L121 HydrophobicContact CD2-CD2 4.45Å; Y41-L121 HydrophobicContact CE2-CD2 4.02Å; Y41-L121 HydrophobicContact CE2-CG 4.2Å
42	L	88.4	Confident	87.7	Confident	88 Å²	88	78.3 Å²	78.3	46%	0.461	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-24	179.5	-66	174.1	0	0	0	113.1	S38 E39 R120	S38-L42 WeakPolarHBondContact O-CG 3.24Å; S38-L42 PolarHBondContact O-N 2.95Å; E39-L42 PolarHBondContact O-N 3.23Å; L42-R120 PolarHBondContact O-NH1 2.91Å
43	S	89.6	Confident	87.6	Confident	78 Å²	78	81.6 Å²	81.6	55%	0.545	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.3	173.6	65.5	0	0	0	0	114	E39 K40 Y41 K45	E39-S43 WeakPolarHBondContact O-CB 3.38Å; E39-S43 PolarHBondContact O-N 3.32Å; E39-S43 PolarHBondContact O-OG 2.94Å; K40-S43 PolarHBondContact O-OG 3.39Å; K40-S43 VanDerWaalsContact O-OG 3.08Å; Y41-S43 PolarHBondContact O-N 3.49Å; S43-K45 PolarHBondContact O-N 2.88Å
44	E	89.7	Confident	87.8	Confident	49 Å²	49	81 Å²	81	23%	0.229	43%	0.432	C	S	.	.			trans	-64.9	126.9	170.4	-61.9	-68	172.5	0	0	109.5	Y41 K82 R120	Y41-E44 VanDerWaalsContact O-CB 3.29Å; Y41-E44 WeakPolarHBondContact O-CB 3.44Å; Y41-E44 PolarHBondContact O-N 2.71Å; Y41-E44 VanDerWaalsContact O-N 3.09Å; E44-K82 IonicContact OE1-NZ 3.19Å; E44-K82 PolarHBondContact OE1-NZ 2.99Å; E44-R120 HydrophobicContact CB-CB 4Å; E44-R120 PolarHBondContact O-NH1 2.8Å; E44-R120 VanDerWaalsContact O-NH1 3.12Å
45	K	87.2	Confident	88.4	Confident	172 Å²	172	81.2 Å²	81.2	75%	0.748	42%	0.422	S	S	*	.			trans	-109.1	118.4	179.8	-65.8	-172.5	-175.3	-178.8	0	109.1	S43 T47	S43-K45 PolarHBondContact O-N 2.88Å; K45-T47 PolarHBondContact O-N 2.92Å
46	P	89.9	Confident	88.8	Confident	61 Å²	61	79.8 Å²	79.8	40%	0.396	42%	0.417	S	S	.	.			trans	-49.9	133.5	168.7	-24.6	30.5	0	0	0	110.8	Q122	P46-Q122 WeakPolarHBondContact CA-O 3.3Å; P46-Q122 HydrophobicContact CB-CB 4.13Å; P46-Q122 HydrophobicContact CB-CG 4.49Å
47	T	89.9	Confident	89	Confident	52 Å²	52	80.7 Å²	80.7	32%	0.319	43%	0.427	S	S	.	.			trans	-104.4	150.4	168.8	55.3	0	0	0	0	110.2	K45 M49 Q122 K123 G124	K45-T47 PolarHBondContact O-N 2.92Å; T47-M49 WeakPolarHBondContact OG1-CE 3.21Å; T47-Q122 PolarHBondContact N-O 3.14Å; T47-Q122 PolarHBondContact O-NE2 3.11Å; T47-K123 CarbonylContact C-O 3.57Å; T47-K123 VanDerWaalsContact C-O 3.32Å; T47-K123 WeakPolarHBondContact CB-O 3.48Å; T47-K123 CarbonylContact O-C 3.53Å; T47-K123 VanDerWaalsContact O-O 3.06Å; T47-K123 WeakPolarHBondContact OG1-CA 3.46Å; T47-K123 PolarHBondContact OG1-O 3.5Å; T47-G124 WeakPolarHBondContact O-CA 3.46Å; T47-G124 PolarHBondContact O-N 3.42Å
48	N	89	Confident	89.4	Confident	113 Å²	113	78.9 Å²	78.9	60%	0.604	42%	0.419	S	S	*	.			trans	-112.1	40.6	-178.8	-69.7	-39.6	0	0	0	110.7	Q122 Y125	N48-Q122 PolarHBondContact OD1-NE2 3.2Å; N48-Y125 HydrophobicContact CB-CE2 4.17Å; N48-Y125 WeakPolarHBondContact OD1-CE2 3.43Å
49	M	89.3	Confident	89.8	Confident	98 Å²	98	78.2 Å²	78.2	48%	0.483	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.9	179.9	-63.8	-174.5	-76.4	0	0	110.3	T47 I51 K123 G124 Y125	T47-M49 WeakPolarHBondContact OG1-CE 3.21Å; M49-I51 HydrophobicContact CB-CG1 4.33Å; M49-K123 PolarHBondContact N-O 3.48Å; M49-G124 CarbonylContact O-C 3.47Å; M49-G124 WeakPolarHBondContact O-CA 3.35Å; M49-Y125 PolarHBondContact O-N 3.17Å
50	E	88.3	Confident	90	Very high	145 Å²	145	74 Å²	74	68%	0.678	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.1	166.4	-65.9	-173.2	162.6	0	0	109	K127	E50-K127 HydrophobicContact CB-CD 4.26Å; E50-K127 HydrophobicContact CB-CG 3.94Å; E50-K127 WeakPolarHBondContact OE2-CE 3.49Å; E50-K127 IonicContact OE2-NZ 2.65Å
51	I	91	Very high	90.1	Very high	8 Å²	8	73.9 Å²	73.9	4%	0.041	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.2	-174.8	-64.1	163.8	0	0	0	106.9	M49 E55 L56 W66 V77 K123 Y125 L126 K127	M49-I51 HydrophobicContact CB-CG1 4.33Å; I51-E55 HydrophobicContact CG2-CB 3.98Å; I51-E55 HydrophobicContact CG2-CG 4.02Å; I51-L56 HydrophobicContact CG2-CB 4.18Å; I51-W66 HydrophobicContact CD1-CE3 4.39Å; I51-W66 HydrophobicContact CD1-CZ3 3.91Å; I51-V77 HydrophobicContact CB-CG2 4.26Å; I51-V77 HydrophobicContact CD1-CB 3.73Å; I51-V77 HydrophobicContact CD1-CG1 3.87Å; I51-V77 HydrophobicContact CD1-CG2 4Å; I51-V77 HydrophobicContact CG2-CG2 4.33Å; I51-K123 HydrophobicContact CD1-CB 3.76Å; I51-Y125 PolarHBondContact N-O 2.89Å; I51-L126 CarbonylContact O-C 3.54Å; I51-L126 VanDerWaalsContact O-CA 3.23Å; I51-L126 WeakPolarHBondContact O-CA 3.36Å; I51-L126 WeakPolarHBondContact O-CD1 3.39Å; I51-K127 PolarHBondContact O-N 3.4Å
52	D	89.8	Confident	90.1	Very high	68 Å²	68	77 Å²	77	36%	0.364	42%	0.418	S	S	.	.			trans	-86.7	168	171.5	61.3	42.5	0	0	0	111.8	A54 E55 L56 K127	D52-A54 PolarHBondContact O-N 3.48Å; D52-A54 WeakPolarHBondContact OD1-CA 3.34Å; D52-A54 WeakPolarHBondContact OD1-CB 3.33Å; D52-A54 PolarHBondContact OD1-N 3.29Å; D52-A54 VanDerWaalsContact OD1-N 3.08Å; D52-E55 PolarHBondContact O-N 3.43Å; D52-E55 WeakPolarHBondContact OD1-CB 3.47Å; D52-E55 PolarHBondContact OD1-N 3.45Å; D52-L56 PolarHBondContact O-N 3.14Å; D52-K127 HydrophobicContact CB-CB 4.28Å; D52-K127 HydrophobicContact CB-CD 4.2Å
53	S	84.7	Confident	90.4	Very high	69 Å²	69	78.6 Å²	78.6	48%	0.483	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-30.1	178.7	54.2	0	0	0	0	113.1	A57 S129	S53-A57 VanDerWaalsContact O-CB 3.3Å; S53-A57 WeakPolarHBondContact O-CB 3.29Å; S53-A57 PolarHBondContact O-N 3.35Å; S53-S129 WeakPolarHBondContact CB-OG 3.19Å
54	A	84.7	Confident	90.7	Very high	63 Å²	63	77.4 Å²	77.4	52%	0.521	41%	0.414	S	S	.	.	H	α-helix	trans	-73.6	-35.7	-179.3	0	0	0	0	0	111.2	D52	D52-A54 PolarHBondContact O-N 3.48Å; D52-A54 WeakPolarHBondContact OD1-CA 3.34Å; D52-A54 WeakPolarHBondContact OD1-CB 3.33Å; D52-A54 PolarHBondContact OD1-N 3.29Å; D52-A54 VanDerWaalsContact OD1-N 3.08Å
55	E	94.5	Very high	90.9	Very high	67 Å²	67	75.1 Å²	75.1	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-68.3	-50.4	171.9	-176.2	63.1	-172.7	0	0	111.1	I51 D52 A57 K58 H59	I51-E55 HydrophobicContact CG2-CB 3.98Å; I51-E55 HydrophobicContact CG2-CG 4.02Å; D52-E55 PolarHBondContact O-N 3.43Å; D52-E55 WeakPolarHBondContact OD1-CB 3.47Å; D52-E55 PolarHBondContact OD1-N 3.45Å; E55-A57 PolarHBondContact O-N 3.22Å; E55-K58 WeakPolarHBondContact O-CB 3.47Å; E55-K58 PolarHBondContact O-N 2.87Å; E55-K58 WeakPolarHBondContact OE2-CD 3.3Å; E55-K58 WeakPolarHBondContact OE2-CE 3.25Å; E55-K58 IonicContact OE2-NZ 3.34Å; E55-K58 PolarHBondContact OE2-NZ 3.18Å; E55-H59 PolarHBondContact O-CD2 3.4Å; E55-H59 VanDerWaalsContact O-CD2 3.28Å; E55-H59 IonicContact OE1-NE2 3.03Å
56	L	93.1	Very high	91.4	Very high	4 Å²	4	68 Å²	68	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-53.7	-43.4	177.9	177.2	61	0	0	0	111.7	I51 D52 K58 H59 W66 A68 V77 G99 L126	I51-L56 HydrophobicContact CG2-CB 4.18Å; D52-L56 PolarHBondContact O-N 3.14Å; L56-K58 PolarHBondContact O-N 2.85Å; L56-K58 VanDerWaalsContact O-N 3.08Å; L56-H59 PolarHBondContact O-N 3.02Å; L56-W66 HydrophobicContact CD1-CB 3.7Å; L56-A68 HydrophobicContact CD2-CB 3.69Å; L56-V77 HydrophobicContact CD1-CG1 3.78Å; L56-G99 WeakPolarHBondContact O-CA 3.45Å; L56-L126 HydrophobicContact CB-CD1 4.1Å; L56-L126 HydrophobicContact CD2-CD1 3.81Å; L56-L126 HydrophobicContact CD2-CD2 4.25Å
57	A	90.6	Very high	91.6	Very high	48 Å²	48	65.6 Å²	65.6	40%	0.397	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.3	-178.9	0	0	0	0	0	114.9	S53 E55 H59 N60 G99	S53-A57 VanDerWaalsContact O-CB 3.3Å; S53-A57 WeakPolarHBondContact O-CB 3.29Å; S53-A57 PolarHBondContact O-N 3.35Å; E55-A57 PolarHBondContact O-N 3.22Å; A57-H59 VanDerWaalsContact C-N 3.32Å; A57-N60 PolarHBondContact O-ND2 3.05Å; A57-G99 WeakPolarHBondContact CA-O 3.1Å
58	K	93.2	Very high	91.7	Very high	128 Å²	128	63.1 Å²	63.1	56%	0.557	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-24	175.8	-63.3	172.5	-170	165.8	0	112.7	E55 L56 N60	E55-K58 WeakPolarHBondContact O-CB 3.47Å; E55-K58 PolarHBondContact O-N 2.87Å; E55-K58 WeakPolarHBondContact OE2-CD 3.3Å; E55-K58 WeakPolarHBondContact OE2-CE 3.25Å; E55-K58 IonicContact OE2-NZ 3.34Å; E55-K58 PolarHBondContact OE2-NZ 3.18Å; L56-K58 PolarHBondContact O-N 2.85Å; L56-K58 VanDerWaalsContact O-N 3.08Å; K58-N60 PolarHBondContact O-N 3.39Å
59	H	96.5	Very high	91.6	Very high	22 Å²	22	57.9 Å²	57.9	10%	0.102	31%	0.312	C	S	.	.			trans	-97.6	62.2	-173.3	-60.4	-78.4	0	0	0	111.4	E55 L56 A57 D64 W66 G99	E55-H59 PolarHBondContact O-CD2 3.4Å; E55-H59 VanDerWaalsContact O-CD2 3.28Å; E55-H59 IonicContact OE1-NE2 3.03Å; L56-H59 PolarHBondContact O-N 3.02Å; A57-H59 VanDerWaalsContact C-N 3.32Å; H59-D64 CarbonylContact C-O 3.51Å; H59-D64 WeakPolarHBondContact CA-O 3.46Å; H59-D64 IonicContact CE1-OD1 2.69Å; H59-D64 IonicContact CE1-OD2 3.58Å; H59-D64 IonicContact CG-OD1 2.89Å; H59-D64 IonicContact CG-OD2 3.35Å; H59-D64 IonicContact ND1-OD1 3.76Å; H59-D64 PolarHBondContact ND1-OD1 2.84Å; H59-D64 IonicContact ND1-OD2 3.82Å; H59-D64 PolarHBondContact ND1-OD2 3.41Å; H59-W66 HydrophobicContact CB-CB 3.6Å; H59-W66 HydrophobicContact CB-CD2 3.81Å; H59-W66 HydrophobicContact CB-CE3 4.35Å; H59-W66 HydrophobicContact CB-CG 3.45Å; H59-W66 VanDerWaalsContact CB-CG 3.45Å; H59-W66 AromaticContact CD2-CD2 3.51Å; H59-W66 AromaticContact CD2-CE2 3.9Å; H59-W66 AromaticContact CD2-CE3 3.32Å; H59-W66 AromaticContact CD2-CH2 3.97Å; H59-W66 AromaticContact CD2-CZ3 3.56Å; H59-W66 AromaticContact CE1-CE2 3.67Å; H59-W66 AromaticContact CE1-CH2 3.71Å; H59-W66 AromaticContact CE1-CZ2 3.48Å; H59-W66 VanDerWaalsContact CE1-CZ2 3.48Å; H59-W66 WeakPolarHBondContact CE1-CZ2 3.35Å; H59-W66 AromaticContact CG-CD1 3.94Å; H59-W66 AromaticContact CG-CD2 3.42Å; H59-W66 VanDerWaalsContact CG-CD2 3.42Å; H59-W66 AromaticContact CG-CE2 3.67Å; H59-W66 AromaticContact CG-CE3 3.77Å; H59-W66 AromaticContact CG-CG 3.65Å; H59-W66 AromaticContact CG-NE1 3.92Å; H59-W66 AromaticContact ND1-CD2 3.81Å; H59-W66 AromaticContact ND1-CE2 3.51Å; H59-W66 AromaticContact ND1-CZ2 3.83Å; H59-W66 AromaticContact ND1-NE1 3.66Å; H59-W66 AromaticContact NE2-CD2 3.96Å; H59-W66 AromaticContact NE2-CE2 3.91Å; H59-W66 AromaticContact NE2-CE3 3.72Å; H59-W66 AromaticContact NE2-CH2 3.43Å; H59-W66 WeakPolarHBondContact NE2-CH2 3.24Å; H59-W66 AromaticContact NE2-CZ2 3.69Å; H59-W66 AromaticContact NE2-CZ3 3.45Å; H59-W66 WeakPolarHBondContact NE2-CZ3 3.35Å; H59-W66 PolarHBondContact O-N 2.98Å; H59-G99 PolarHBondContact O-N 3.48Å; H59-G99 VanDerWaalsContact O-N 3.17Å
60	N	92.2	Very high	91.1	Very high	83 Å²	83	57.1 Å²	57.1	44%	0.444	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	21.9	-170.5	69.6	-1.9	0	0	0	114.8	A57 K58 D64 A98	A57-N60 PolarHBondContact O-ND2 3.05Å; K58-N60 PolarHBondContact O-N 3.39Å; N60-D64 PolarHBondContact N-O 3.34Å; N60-A98 HydrophobicContact CB-CB 4.35Å; N60-A98 WeakPolarHBondContact CB-O 3.37Å
61	K	91.8	Very high	90.1	Very high	127 Å²	127	54 Å²	54	55%	0.552	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	162.5	-176.2	-61.8	-177.3	-175.8	172.8	0	111.5	D63 D64 M65	K61-D63 VanDerWaalsContact CB-OD1 3.32Å; K61-D63 WeakPolarHBondContact CB-OD1 3.41Å; K61-D63 PolarHBondContact O-N 2.95Å; K61-D64 PolarHBondContact N-O 3.28Å; K61-D64 CarbonylContact O-C 3.52Å; K61-D64 PolarHBondContact O-N 3.04Å; K61-D64 VanDerWaalsContact O-N 3.1Å; K61-M65 WeakPolarHBondContact O-CB 3.21Å; K61-M65 PolarHBondContact O-N 3.45Å
62	S	89.5	Confident	88.5	Confident	75 Å²	75	58.6 Å²	58.6	52%	0.524	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.2	-178.4	56.1	0	0	0	0	113.9
63	D	93	Very high	87.1	Confident	121 Å²	121	58.4 Å²	58.4	65%	0.647	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-1	178.1	59.9	-24.5	0	0	0	113.4	K61 T81	K61-D63 VanDerWaalsContact CB-OD1 3.32Å; K61-D63 WeakPolarHBondContact CB-OD1 3.41Å; K61-D63 PolarHBondContact O-N 2.95Å; D63-T81 VanDerWaalsContact C-CG2 3.46Å; D63-T81 WeakPolarHBondContact O-CG2 3.24Å
64	D	96.1	Very high	86.5	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.283	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	86.6	175.8	-175.5	22.7	0	0	0	109.5	H59 N60 K61	H59-D64 CarbonylContact C-O 3.51Å; H59-D64 WeakPolarHBondContact CA-O 3.46Å; H59-D64 IonicContact CE1-OD1 2.69Å; H59-D64 IonicContact CE1-OD2 3.58Å; H59-D64 IonicContact CG-OD1 2.89Å; H59-D64 IonicContact CG-OD2 3.35Å; H59-D64 IonicContact ND1-OD1 3.76Å; H59-D64 PolarHBondContact ND1-OD1 2.84Å; H59-D64 IonicContact ND1-OD2 3.82Å; H59-D64 PolarHBondContact ND1-OD2 3.41Å; N60-D64 PolarHBondContact N-O 3.34Å; K61-D64 PolarHBondContact N-O 3.28Å; K61-D64 CarbonylContact O-C 3.52Å; K61-D64 PolarHBondContact O-N 3.04Å; K61-D64 VanDerWaalsContact O-N 3.1Å
65	M	94.9	Very high	86.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	104.9	-167.7	-170.7	-175.8	-64.6	0	0	111.1	K61 I80 T81 A84 V91 L94 L95 A98	K61-M65 WeakPolarHBondContact O-CB 3.21Å; K61-M65 PolarHBondContact O-N 3.45Å; M65-I80 HydrophobicContact CB-CG1 4.28Å; M65-I80 HydrophobicContact CG-CD1 3.94Å; M65-I80 HydrophobicContact CG-CG1 3.75Å; M65-I80 WeakPolarHBondContact O-CG1 3.26Å; M65-I80 PolarHBondContact O-N 2.79Å; M65-I80 HydrophobicContact SD-CD1 3.52Å; M65-I80 VanDerWaalsContact SD-CD1 3.52Å; M65-I80 HydrophobicContact SD-CG1 3.81Å; M65-T81 PolarHBondContact N-OG1 3Å; M65-T81 PolarHBondContact O-N 2.82Å; M65-T81 PolarHBondContact O-OG1 3.2Å; M65-A84 HydrophobicContact CE-CB 4.09Å; M65-A84 HydrophobicContact SD-CB 3.95Å; M65-V91 HydrophobicContact CE-CG1 4.1Å; M65-L94 HydrophobicContact CE-CB 4.42Å; M65-L94 HydrophobicContact SD-CB 3.66Å; M65-L95 HydrophobicContact CE-CB 4.5Å; M65-L95 HydrophobicContact CE-CD2 3.66Å; M65-L95 HydrophobicContact CE-CG 3.61Å; M65-A98 HydrophobicContact CG-CB 3.66Å
66	W	97.3	Very high	86.2	Confident	23 Å²	23	57.3 Å²	57.3	9%	0.087	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.2	172.1	-62.6	9.4	0	0	0	110.7	I51 L56 H59 V77 Y78 D79 G99 K123	I51-W66 HydrophobicContact CD1-CE3 4.39Å; I51-W66 HydrophobicContact CD1-CZ3 3.91Å; L56-W66 HydrophobicContact CD1-CB 3.7Å; H59-W66 HydrophobicContact CB-CB 3.6Å; H59-W66 HydrophobicContact CB-CD2 3.81Å; H59-W66 HydrophobicContact CB-CE3 4.35Å; H59-W66 HydrophobicContact CB-CG 3.45Å; H59-W66 VanDerWaalsContact CB-CG 3.45Å; H59-W66 AromaticContact CD2-CD2 3.51Å; H59-W66 AromaticContact CD2-CE2 3.9Å; H59-W66 AromaticContact CD2-CE3 3.32Å; H59-W66 AromaticContact CD2-CH2 3.97Å; H59-W66 AromaticContact CD2-CZ3 3.56Å; H59-W66 AromaticContact CE1-CE2 3.67Å; H59-W66 AromaticContact CE1-CH2 3.71Å; H59-W66 AromaticContact CE1-CZ2 3.48Å; H59-W66 VanDerWaalsContact CE1-CZ2 3.48Å; H59-W66 WeakPolarHBondContact CE1-CZ2 3.35Å; H59-W66 AromaticContact CG-CD1 3.94Å; H59-W66 AromaticContact CG-CD2 3.42Å; H59-W66 VanDerWaalsContact CG-CD2 3.42Å; H59-W66 AromaticContact CG-CE2 3.67Å; H59-W66 AromaticContact CG-CE3 3.77Å; H59-W66 AromaticContact CG-CG 3.65Å; H59-W66 AromaticContact CG-NE1 3.92Å; H59-W66 AromaticContact ND1-CD2 3.81Å; H59-W66 AromaticContact ND1-CE2 3.51Å; H59-W66 AromaticContact ND1-CZ2 3.83Å; H59-W66 AromaticContact ND1-NE1 3.66Å; H59-W66 AromaticContact NE2-CD2 3.96Å; H59-W66 AromaticContact NE2-CE2 3.91Å; H59-W66 AromaticContact NE2-CE3 3.72Å; H59-W66 AromaticContact NE2-CH2 3.43Å; H59-W66 WeakPolarHBondContact NE2-CH2 3.24Å; H59-W66 AromaticContact NE2-CZ2 3.69Å; H59-W66 AromaticContact NE2-CZ3 3.45Å; H59-W66 WeakPolarHBondContact NE2-CZ3 3.35Å; H59-W66 PolarHBondContact O-N 2.98Å; W66-V77 HydrophobicContact CB-CG1 4.13Å; W66-V77 HydrophobicContact CD2-CG1 4.31Å; W66-V77 HydrophobicContact CE3-CG1 3.75Å; W66-Y78 CarbonylContact C-O 3.2Å; W66-Y78 VanDerWaalsContact CA-O 3.22Å; W66-Y78 WeakPolarHBondContact CA-O 3.39Å; W66-D79 HydrophobicContact CG-CB 4.3Å; W66-D79 VanDerWaalsContact NE1-CG 3.31Å; W66-G99 PolarHBondContact O-N 3.49Å; W66-K123 HydrophobicContact CD2-CG 4.23Å; W66-K123 HydrophobicContact CE3-CG 4.41Å; W66-K123 HydrophobicContact CH2-CB 4.35Å; W66-K123 HydrophobicContact CH2-CD 4.37Å; W66-K123 HydrophobicContact CH2-CG 4.1Å; W66-K123 HydrophobicContact CZ2-CD 4.01Å; W66-K123 HydrophobicContact CZ2-CG 3.89Å; W66-K123 HydrophobicContact CZ3-CB 4.3Å; W66-K123 HydrophobicContact CZ3-CG 4.36Å
67	I	94.4	Very high	86.3	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.4	171.7	60	166	0	0	0	109.9	L69 V77 Y78 I80 A102	I67-L69 HydrophobicContact CD1-CD1 3.96Å; I67-L69 HydrophobicContact CD1-CD2 4.09Å; I67-L69 HydrophobicContact CD1-CG 4Å; I67-L69 HydrophobicContact CG1-CG 4.43Å; I67-V77 CarbonylContact O-C 3.42Å; I67-V77 WeakPolarHBondContact O-CA 3.37Å; I67-Y78 PolarHBondContact N-O 3.07Å; I67-Y78 PolarHBondContact O-N 2.64Å; I67-I80 HydrophobicContact CB-CD1 4.37Å; I67-I80 HydrophobicContact CD1-CD1 3.74Å; I67-I80 HydrophobicContact CD1-CG1 4.41Å; I67-I80 HydrophobicContact CD1-CG2 4.01Å; I67-I80 HydrophobicContact CG1-CD1 3.8Å; I67-I80 HydrophobicContact CG1-CG1 4.02Å; I67-I80 HydrophobicContact CG1-CG2 3.83Å; I67-I80 HydrophobicContact CG2-CD1 3.68Å; I67-I80 HydrophobicContact CG2-CG1 4.23Å; I67-A102 HydrophobicContact CB-CB 4.13Å; I67-A102 HydrophobicContact CD1-CB 4.46Å; I67-A102 HydrophobicContact CG2-CB 4.37Å
68	A	92.4	Very high	86.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.2	168.9	0	0	0	0	0	110.2	L56 T75 I76 V77 T100 D101 A102 S103 L126	L56-A68 HydrophobicContact CD2-CB 3.69Å; A68-T75 HydrophobicContact CB-CG2 3.56Å; A68-I76 CarbonylContact C-O 3.58Å; A68-I76 WeakPolarHBondContact CA-O 3.44Å; A68-V77 HydrophobicContact CB-CG2 4.26Å; A68-T100 PolarHBondContact N-O 3.15Å; A68-D101 HydrophobicContact CB-CB 4.15Å; A68-A102 PolarHBondContact O-N 2.91Å; A68-S103 PolarHBondContact O-N 2.94Å; A68-L126 HydrophobicContact CB-CD2 3.9Å
69	L	87.1	Confident	86.7	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.9	175.7	-61	177.4	0	0	0	110.1	I67 H71 I76 Y78 A102 S103 F106 T115 I118	I67-L69 HydrophobicContact CD1-CD1 3.96Å; I67-L69 HydrophobicContact CD1-CD2 4.09Å; I67-L69 HydrophobicContact CD1-CG 4Å; I67-L69 HydrophobicContact CG1-CG 4.43Å; L69-H71 PolarHBondContact O-N 3.33Å; L69-I76 PolarHBondContact N-O 3.48Å; L69-I76 PolarHBondContact O-N 3.49Å; L69-Y78 HydrophobicContact CB-CD2 4.25Å; L69-Y78 HydrophobicContact CB-CE2 4.01Å; L69-Y78 HydrophobicContact CD1-CD2 3.93Å; L69-Y78 HydrophobicContact CD1-CE2 4.03Å; L69-Y78 HydrophobicContact CG-CD2 4.18Å; L69-Y78 HydrophobicContact CG-CE2 4.36Å; L69-A102 HydrophobicContact CD2-CB 3.96Å; L69-S103 WeakPolarHBondContact CA-OG 3.32Å; L69-F106 HydrophobicContact CD1-CD2 4.09Å; L69-F106 HydrophobicContact CD1-CE2 4.4Å; L69-F106 HydrophobicContact CD1-CG 4.17Å; L69-F106 HydrophobicContact CD2-CB 3.43Å; L69-F106 VanDerWaalsContact CD2-CB 3.43Å; L69-F106 HydrophobicContact CD2-CD1 4.44Å; L69-F106 HydrophobicContact CD2-CD2 4.28Å; L69-F106 HydrophobicContact CD2-CG 3.81Å; L69-T115 HydrophobicContact CD1-CG2 3.71Å; L69-I118 HydrophobicContact CD1-CD1 4.17Å
70	D	77.8	Confident	86.7	Confident	82 Å²	82	49.6 Å²	49.6	44%	0.439	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.2	174.3	-171.5	114.2	0	0	0	109.2	Q72 G73 S103	D70-Q72 PolarHBondContact OD2-N 3.34Å; D70-G73 PolarHBondContact OD2-N 3.01Å; D70-S103 WeakPolarHBondContact CB-OG 3.19Å; D70-S103 PolarHBondContact N-OG 3.21Å
71	H	67.3	Low	86.8	Confident	81 Å²	81	47.4 Å²	47.4	38%	0.375	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	107.3	168.1	-165.9	69.8	0	0	0	108.9	L69 G73 K74 I76	L69-H71 PolarHBondContact O-N 3.33Å; H71-G73 VanDerWaalsContact C-N 3.26Å; H71-G73 PolarHBondContact O-N 3.33Å; H71-K74 PolarHBondContact N-O 2.84Å; H71-K74 PolarHBondContact O-N 3.24Å; H71-I76 HydrophobicContact CB-CD1 4.01Å
72	Q	58.4	Low	86.8	Confident	104 Å²	104	45.4 Å²	45.4	49%	0.486	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	40.2	172.5	-53.8	173.9	8.4	0	0	113.2	D70 N398	D70-Q72 PolarHBondContact OD2-N 3.34Å; Q72-N398 PolarHBondContact NE2-OD1 2.64Å; Q72-N398 VanDerWaalsContact NE2-OD1 3.15Å; Q72-N398 PolarHBondContact OE1-OD1 3.08Å; Q72-N398 VanDerWaalsContact OE1-OD1 3.06Å
73	G	59.6	Low	87	Confident	64 Å²	64	42.7 Å²	42.7	66%	0.66	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	7.9	178.8	0	0	0	0	0	114.7	D70 H71	D70-G73 PolarHBondContact OD2-N 3.01Å; H71-G73 VanDerWaalsContact C-N 3.26Å; H71-G73 PolarHBondContact O-N 3.33Å
74	K	71.2	Confident	86.9	Confident	130 Å²	130	37 Å²	37	57%	0.565	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.2	166.4	-67.1	-176.1	-177.3	177.2	0	109.8	H71 I76 Y125	H71-K74 PolarHBondContact N-O 2.84Å; H71-K74 PolarHBondContact O-N 3.24Å; K74-I76 PolarHBondContact O-N 3.02Å; K74-Y125 HydrophobicContact CB-CD1 4.24Å; K74-Y125 HydrophobicContact CB-CE1 4.26Å; K74-Y125 HydrophobicContact CD-CD1 4.49Å; K74-Y125 HydrophobicContact CD-CE1 4.01Å
75	T	84.2	Confident	86.5	Confident	31 Å²	31	36.6 Å²	36.6	19%	0.19	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	107.7	174.4	-47.9	0	0	0	0	109.9	A68 Y125 L126	A68-T75 HydrophobicContact CB-CG2 3.56Å; T75-Y125 CarbonylContact O-C 3.49Å; T75-Y125 WeakPolarHBondContact O-CA 3.36Å; T75-L126 HydrophobicContact CG2-CB 3.8Å; T75-L126 HydrophobicContact CG2-CD2 3.86Å; T75-L126 HydrophobicContact CG2-CG 4.5Å; T75-L126 PolarHBondContact O-N 2.7Å
76	I	90.3	Very high	86.2	Confident	15 Å²	15	38.2 Å²	38.2	8%	0.077	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.6	-177.9	-53.9	176.1	0	0	0	109	A68 L69 H71 K74 Y78 Q122 G124 Y125	A68-I76 CarbonylContact C-O 3.58Å; A68-I76 WeakPolarHBondContact CA-O 3.44Å; L69-I76 PolarHBondContact N-O 3.48Å; L69-I76 PolarHBondContact O-N 3.49Å; H71-I76 HydrophobicContact CB-CD1 4.01Å; K74-I76 PolarHBondContact O-N 3.02Å; I76-Y78 HydrophobicContact CB-CE2 3.81Å; I76-Y78 HydrophobicContact CG2-CD2 4.34Å; I76-Y78 HydrophobicContact CG2-CE1 3.99Å; I76-Y78 HydrophobicContact CG2-CE2 3.77Å; I76-Q122 HydrophobicContact CG2-CB 4.22Å; I76-Q122 HydrophobicContact CG2-CG 3.55Å; I76-G124 WeakPolarHBondContact CA-O 3.46Å; I76-Y125 HydrophobicContact CD1-CE1 4.47Å; I76-Y125 HydrophobicContact CG1-CD1 4.08Å; I76-Y125 HydrophobicContact CG1-CE1 3.89Å
77	V	94.8	Very high	85.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.6	175.2	-179.6	0	0	0	0	109.6	I51 L56 W66 I67 A68 Q122 K123 G124 L126	I51-V77 HydrophobicContact CB-CG2 4.26Å; I51-V77 HydrophobicContact CD1-CB 3.73Å; I51-V77 HydrophobicContact CD1-CG1 3.87Å; I51-V77 HydrophobicContact CD1-CG2 4Å; I51-V77 HydrophobicContact CG2-CG2 4.33Å; L56-V77 HydrophobicContact CD1-CG1 3.78Å; W66-V77 HydrophobicContact CB-CG1 4.13Å; W66-V77 HydrophobicContact CD2-CG1 4.31Å; W66-V77 HydrophobicContact CE3-CG1 3.75Å; I67-V77 CarbonylContact O-C 3.42Å; I67-V77 WeakPolarHBondContact O-CA 3.37Å; A68-V77 HydrophobicContact CB-CG2 4.26Å; V77-Q122 WeakPolarHBondContact O-CA 3.06Å; V77-K123 HydrophobicContact CG1-CB 4.41Å; V77-K123 PolarHBondContact O-N 2.87Å; V77-G124 PolarHBondContact N-O 2.87Å; V77-L126 HydrophobicContact CG2-CB 4.06Å; V77-L126 HydrophobicContact CG2-CD1 4.3Å
78	Y	96.1	Very high	84.6	Confident	7 Å²	7	41.1 Å²	41.1	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.1	177	-62.6	-81.2	0	0	0	110.9	W66 I67 L69 I76 I80 I118 Q122	W66-Y78 CarbonylContact C-O 3.2Å; W66-Y78 VanDerWaalsContact CA-O 3.22Å; W66-Y78 WeakPolarHBondContact CA-O 3.39Å; I67-Y78 PolarHBondContact N-O 3.07Å; I67-Y78 PolarHBondContact O-N 2.64Å; L69-Y78 HydrophobicContact CB-CD2 4.25Å; L69-Y78 HydrophobicContact CB-CE2 4.01Å; L69-Y78 HydrophobicContact CD1-CD2 3.93Å; L69-Y78 HydrophobicContact CD1-CE2 4.03Å; L69-Y78 HydrophobicContact CG-CD2 4.18Å; L69-Y78 HydrophobicContact CG-CE2 4.36Å; I76-Y78 HydrophobicContact CB-CE2 3.81Å; I76-Y78 HydrophobicContact CG2-CD2 4.34Å; I76-Y78 HydrophobicContact CG2-CE1 3.99Å; I76-Y78 HydrophobicContact CG2-CE2 3.77Å; Y78-I80 PolarHBondContact O-N 2.89Å; Y78-I118 HydrophobicContact CD1-CD1 4.13Å; Y78-I118 HydrophobicContact CD1-CG1 4.13Å; Y78-I118 WeakPolarHBondContact CD1-O 3.29Å; Y78-I118 HydrophobicContact CD2-CD1 4.11Å; Y78-I118 HydrophobicContact CE1-CG1 4.28Å; Y78-I118 HydrophobicContact CE2-CD1 4.49Å; Y78-I118 HydrophobicContact CG-CD1 3.9Å; Y78-I118 HydrophobicContact CG-CG1 4.41Å; Y78-Q122 HydrophobicContact CD1-CB 4.13Å; Y78-Q122 HydrophobicContact CE1-CB 4.02Å
79	D	96.8	Very high	83.5	Confident	32 Å²	32	43.2 Å²	43.2	17%	0.171	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	93.5	167.4	177.2	-3.2	0	0	0	109.5	W66 T81 L121 K123	W66-D79 HydrophobicContact CG-CB 4.3Å; W66-D79 VanDerWaalsContact NE1-CG 3.31Å; D79-T81 VanDerWaalsContact C-N 3.29Å; D79-T81 PolarHBondContact O-N 2.74Å; D79-T81 VanDerWaalsContact OD1-CB 3.25Å; D79-T81 WeakPolarHBondContact OD1-CB 3.46Å; D79-T81 PolarHBondContact OD1-N 3.3Å; D79-T81 PolarHBondContact OD1-OG1 3.1Å; D79-L121 PolarHBondContact N-O 2.71Å; D79-L121 WeakPolarHBondContact O-CB 3.42Å; D79-L121 WeakPolarHBondContact O-CD1 3.4Å; D79-K123 HydrophobicContact CB-CD 4.16Å; D79-K123 HydrophobicContact CB-CG 3.81Å; D79-K123 WeakPolarHBondContact OD2-CE 3.16Å; D79-K123 IonicContact OD2-NZ 3.71Å; D79-K123 PolarHBondContact OD2-NZ 3.19Å; D79-K123 VanDerWaalsContact OD2-NZ 3.13Å
80	I	95.6	Very high	83	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	26%	0.259	C	S	.	.			trans	-90.2	9.1	-175.1	60	159.3	0	0	0	112.8	M65 I67 Y78 K82 F83 A84 L94 I118	M65-I80 HydrophobicContact CB-CG1 4.28Å; M65-I80 HydrophobicContact CG-CD1 3.94Å; M65-I80 HydrophobicContact CG-CG1 3.75Å; M65-I80 WeakPolarHBondContact O-CG1 3.26Å; M65-I80 PolarHBondContact O-N 2.79Å; M65-I80 HydrophobicContact SD-CD1 3.52Å; M65-I80 VanDerWaalsContact SD-CD1 3.52Å; M65-I80 HydrophobicContact SD-CG1 3.81Å; I67-I80 HydrophobicContact CB-CD1 4.37Å; I67-I80 HydrophobicContact CD1-CD1 3.74Å; I67-I80 HydrophobicContact CD1-CG1 4.41Å; I67-I80 HydrophobicContact CD1-CG2 4.01Å; I67-I80 HydrophobicContact CG1-CD1 3.8Å; I67-I80 HydrophobicContact CG1-CG1 4.02Å; I67-I80 HydrophobicContact CG1-CG2 3.83Å; I67-I80 HydrophobicContact CG2-CD1 3.68Å; I67-I80 HydrophobicContact CG2-CG1 4.23Å; Y78-I80 PolarHBondContact O-N 2.89Å; I80-K82 PolarHBondContact O-N 3.03Å; I80-K82 VanDerWaalsContact O-N 3.15Å; I80-F83 HydrophobicContact CB-CB 4.25Å; I80-F83 HydrophobicContact CB-CD1 4.4Å; I80-F83 CarbonylContact O-C 3.54Å; I80-F83 WeakPolarHBondContact O-CA 3.21Å; I80-F83 WeakPolarHBondContact O-CB 3.3Å; I80-F83 PolarHBondContact O-N 3.12Å; I80-A84 PolarHBondContact O-N 3.5Å; I80-L94 HydrophobicContact CD1-CB 4.16Å; I80-L94 HydrophobicContact CD1-CD1 4.13Å; I80-L94 HydrophobicContact CD1-CD2 4.03Å; I80-L94 HydrophobicContact CD1-CG 4.35Å; I80-I118 HydrophobicContact CG2-CD1 4.19Å
81	T	94.9	Very high	83.3	Confident	36 Å²	36	42.4 Å²	42.4	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-49.2	-45.6	-179.6	-50.4	0	0	0	0	112.1	D63 M65 D79	D63-T81 VanDerWaalsContact C-CG2 3.46Å; D63-T81 WeakPolarHBondContact O-CG2 3.24Å; M65-T81 PolarHBondContact N-OG1 3Å; M65-T81 PolarHBondContact O-N 2.82Å; M65-T81 PolarHBondContact O-OG1 3.2Å; D79-T81 VanDerWaalsContact C-N 3.29Å; D79-T81 PolarHBondContact O-N 2.74Å; D79-T81 VanDerWaalsContact OD1-CB 3.25Å; D79-T81 WeakPolarHBondContact OD1-CB 3.46Å; D79-T81 PolarHBondContact OD1-N 3.3Å; D79-T81 PolarHBondContact OD1-OG1 3.1Å
82	K	91.6	Very high	83.7	Confident	85 Å²	85	44.4 Å²	44.4	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-72.2	-34.5	177.8	-65.3	178.5	-174.5	174.5	0	112.6	E44 I80 Y86	E44-K82 IonicContact OE1-NZ 3.19Å; E44-K82 PolarHBondContact OE1-NZ 2.99Å; I80-K82 PolarHBondContact O-N 3.03Å; I80-K82 VanDerWaalsContact O-N 3.15Å; K82-Y86 WeakPolarHBondContact O-CD2 3.45Å; K82-Y86 WeakPolarHBondContact O-CE2 3.33Å
83	F	93.2	Very high	84.4	Confident	18 Å²	18	42.5 Å²	42.5	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-74.5	-30.3	-178.2	175.2	-113.6	0	0	0	112.3	I29 W32 I80 A85 Y86 H87 I118 L121	I29-F83 HydrophobicContact CD1-CE2 4.11Å; I29-F83 HydrophobicContact CD1-CZ 4.46Å; W32-F83 AromaticContact CD1-CE2 3.88Å; W32-F83 AromaticContact CD2-CD2 3.51Å; W32-F83 HydrophobicContact CD2-CD2 3.51Å; W32-F83 HydrophobicContact CD2-CE2 4.07Å; W32-F83 AromaticContact CE2-CD2 3.5Å; W32-F83 VanDerWaalsContact CE2-CD2 3.5Å; W32-F83 AromaticContact CE3-CD2 3.9Å; W32-F83 HydrophobicContact CE3-CD2 3.9Å; W32-F83 AromaticContact CG-CD2 3.89Å; W32-F83 HydrophobicContact CG-CD2 3.89Å; W32-F83 AromaticContact CG-CE2 3.93Å; W32-F83 HydrophobicContact CG-CE2 3.93Å; W32-F83 HydrophobicContact CH2-CB 3.9Å; W32-F83 HydrophobicContact CH2-CD2 4.25Å; W32-F83 HydrophobicContact CZ2-CB 4.15Å; W32-F83 AromaticContact CZ2-CD2 3.9Å; W32-F83 HydrophobicContact CZ2-CD2 3.9Å; W32-F83 HydrophobicContact CZ2-CG 4.42Å; W32-F83 HydrophobicContact CZ3-CB 4.11Å; W32-F83 HydrophobicContact CZ3-CD2 4.23Å; W32-F83 AromaticContact NE1-CD2 3.82Å; W32-F83 AromaticContact NE1-CE2 3.97Å; I80-F83 HydrophobicContact CB-CB 4.25Å; I80-F83 HydrophobicContact CB-CD1 4.4Å; I80-F83 CarbonylContact O-C 3.54Å; I80-F83 WeakPolarHBondContact O-CA 3.21Å; I80-F83 WeakPolarHBondContact O-CB 3.3Å; I80-F83 PolarHBondContact O-N 3.12Å; F83-A85 VanDerWaalsContact C-N 3.26Å; F83-A85 PolarHBondContact O-N 2.96Å; F83-A85 VanDerWaalsContact O-N 3.14Å; F83-Y86 WeakPolarHBondContact O-CA 3.33Å; F83-Y86 WeakPolarHBondContact O-CB 3.42Å; F83-Y86 PolarHBondContact O-N 3.31Å; F83-H87 HydrophobicContact CE1-CB 4.15Å; F83-H87 AromaticContact CE1-CD2 3.8Å; F83-H87 HydrophobicContact CZ-CB 4.38Å; F83-H87 AromaticContact CZ-CD2 3.99Å; F83-H87 PolarHBondContact O-N 3.15Å; F83-I118 HydrophobicContact CB-CG2 4.26Å; F83-I118 HydrophobicContact CD1-CG2 4.11Å; F83-I118 HydrophobicContact CD2-CG2 4Å; F83-I118 HydrophobicContact CE1-CG2 4.48Å; F83-I118 HydrophobicContact CE2-CG2 4.38Å; F83-I118 HydrophobicContact CG-CG2 3.85Å; F83-L121 HydrophobicContact CB-CD1 4.09Å
84	A	91.3	Very high	85.6	Confident	3 Å²	3	40.4 Å²	40.4	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-53.9	-41.2	-171.9	0	0	0	0	0	113.2	M65 I80 Y86 H87 V91 L94	M65-A84 HydrophobicContact CE-CB 4.09Å; M65-A84 HydrophobicContact SD-CB 3.95Å; I80-A84 PolarHBondContact O-N 3.5Å; A84-Y86 PolarHBondContact O-N 2.8Å; A84-H87 PolarHBondContact O-N 3.19Å; A84-V91 HydrophobicContact CB-CG1 4.29Å; A84-V91 HydrophobicContact CB-CG2 4.34Å; A84-V91 WeakPolarHBondContact O-CG2 3.39Å; A84-L94 HydrophobicContact CB-CD1 3.98Å
85	A	87.7	Confident	86.2	Confident	44 Å²	44	37.1 Å²	37.1	36%	0.364	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	177.8	0	0	0	0	0	114.5	S26 M27 F83	S26-A85 CarbonylContact C-O 3.59Å; S26-A85 WeakPolarHBondContact CA-O 3.33Å; M27-A85 PolarHBondContact N-O 3.12Å; F83-A85 VanDerWaalsContact C-N 3.26Å; F83-A85 PolarHBondContact O-N 2.96Å; F83-A85 VanDerWaalsContact O-N 3.14Å
86	Y	87.5	Confident	86	Confident	34 Å²	34	42.6 Å²	42.6	13%	0.133	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-9.4	179.9	-57.7	-100.1	0	0	0	113	M27 G28 I29 W32 K82 F83 A84 P88	M27-Y86 HydrophobicContact CB-CD1 3.54Å; M27-Y86 HydrophobicContact CB-CE1 3.79Å; M27-Y86 HydrophobicContact CB-CG 4.22Å; M27-Y86 HydrophobicContact CE-CD1 4.38Å; M27-Y86 HydrophobicContact CE-CE1 3.43Å; M27-Y86 VanDerWaalsContact CE-CE1 3.43Å; M27-Y86 WeakPolarHBondContact CE-OH 3.32Å; M27-Y86 HydrophobicContact CG-CD1 4.39Å; M27-Y86 HydrophobicContact CG-CE1 4.25Å; M27-Y86 HydrophobicContact SD-CD1 4.11Å; M27-Y86 HydrophobicContact SD-CE1 3.45Å; M27-Y86 WeakPolarHBondContact SD-CE1 3.22Å; M27-Y86 HydrophobicContact SD-CE2 4.12Å; G28-Y86 CarbonylContact C-O 3.54Å; G28-Y86 VanDerWaalsContact CA-O 3.26Å; G28-Y86 WeakPolarHBondContact CA-O 3.47Å; I29-Y86 PolarHBondContact N-O 2.83Å; W32-Y86 HydrophobicContact CB-CD1 4.03Å; W32-Y86 HydrophobicContact CB-CG 4.11Å; W32-Y86 HydrophobicContact CD2-CG 4.49Å; W32-Y86 HydrophobicContact CE3-CD1 4.22Å; W32-Y86 AromaticContact CE3-CD2 3.57Å; W32-Y86 HydrophobicContact CE3-CD2 3.57Å; W32-Y86 AromaticContact CE3-CE2 3.96Å; W32-Y86 HydrophobicContact CE3-CE2 3.96Å; W32-Y86 AromaticContact CE3-CG 3.73Å; W32-Y86 HydrophobicContact CE3-CG 3.73Å; W32-Y86 AromaticContact CZ3-CD2 3.99Å; W32-Y86 HydrophobicContact CZ3-CD2 3.99Å; W32-Y86 HydrophobicContact CZ3-CE2 4.14Å; K82-Y86 WeakPolarHBondContact O-CD2 3.45Å; K82-Y86 WeakPolarHBondContact O-CE2 3.33Å; F83-Y86 WeakPolarHBondContact O-CA 3.33Å; F83-Y86 WeakPolarHBondContact O-CB 3.42Å; F83-Y86 PolarHBondContact O-N 3.31Å; A84-Y86 PolarHBondContact O-N 2.8Å; Y86-P88 WeakPolarHBondContact O-CD 3.5Å
87	H	84.7	Confident	85.8	Confident	11 Å²	11	46.2 Å²	46.2	5%	0.051	26%	0.259	C	S	.	.			trans	-67.7	123.4	-177.9	-174.9	-103.4	0	0	0	110.5	F83 A84 G89 G90 L94 H110	F83-H87 HydrophobicContact CE1-CB 4.15Å; F83-H87 AromaticContact CE1-CD2 3.8Å; F83-H87 HydrophobicContact CZ-CB 4.38Å; F83-H87 AromaticContact CZ-CD2 3.99Å; F83-H87 PolarHBondContact O-N 3.15Å; A84-H87 PolarHBondContact O-N 3.19Å; H87-G89 PolarHBondContact CE1-N 2.76Å; H87-G89 WeakPolarHBondContact ND1-CA 3.26Å; H87-G89 PolarHBondContact ND1-N 3.17Å; H87-G89 VanDerWaalsContact ND1-N 3.16Å; H87-G89 PolarHBondContact O-N 3.04Å; H87-G90 PolarHBondContact O-N 3.03Å; H87-L94 HydrophobicContact CB-CD1 3.49Å; H87-L94 VanDerWaalsContact CB-CD1 3.49Å; H87-L94 HydrophobicContact CB-CG 4.35Å; H87-H110 AromaticContact CE1-NE2 3.97Å; H87-H110 AromaticContact NE2-CE1 3.45Å; H87-H110 PolarHBondContact NE2-CE1 3.4Å; H87-H110 AromaticContact NE2-NE2 3.22Å; H87-H110 PolarHBondContact NE2-NE2 3.28Å
88	P	73.7	Confident	85.5	Confident	83 Å²	83	46.6 Å²	46.6	54%	0.539	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.3	-177.4	-25.8	35.6	0	0	0	114.5	I29 Y86 G90	I29-P88 HydrophobicContact CB-CG 4.01Å; Y86-P88 WeakPolarHBondContact O-CD 3.5Å; P88-G90 PolarHBondContact O-N 3.32Å
89	G	69.3	Low	85.3	Confident	44 Å²	44	46.7 Å²	46.7	45%	0.454	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.4	175.4	0	0	0	0	0	113.8	H87 V93	H87-G89 PolarHBondContact CE1-N 2.76Å; H87-G89 WeakPolarHBondContact ND1-CA 3.26Å; H87-G89 PolarHBondContact ND1-N 3.17Å; H87-G89 VanDerWaalsContact ND1-N 3.16Å; H87-G89 PolarHBondContact O-N 3.04Å; G89-V93 VanDerWaalsContact O-CG2 3.29Å; G89-V93 WeakPolarHBondContact O-CG2 3.49Å
90	G	77.9	Confident	84.8	Confident	21 Å²	21	47.9 Å²	47.9	22%	0.216	27%	0.274	C	S	.	.			trans	87.3	158.8	-176.2	0	0	0	0	0	113	H87 P88 D92	H87-G90 PolarHBondContact O-N 3.03Å; P88-G90 PolarHBondContact O-N 3.32Å; G90-D92 VanDerWaalsContact C-N 3.26Å; G90-D92 PolarHBondContact O-N 2.82Å
91	V	82.6	Confident	84.3	Confident	46 Å²	46	50.2 Å²	50.2	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-34.8	-177.9	179.2	0	0	0	0	111.5	M65 A84 V93 L94 L95	M65-V91 HydrophobicContact CE-CG1 4.1Å; A84-V91 HydrophobicContact CB-CG1 4.29Å; A84-V91 HydrophobicContact CB-CG2 4.34Å; A84-V91 WeakPolarHBondContact O-CG2 3.39Å; V91-V93 VanDerWaalsContact C-N 3.31Å; V91-V93 PolarHBondContact O-N 3.47Å; V91-L94 PolarHBondContact O-N 3.15Å; V91-L95 HydrophobicContact CG1-CD1 3.91Å; V91-L95 HydrophobicContact CG1-CG 4.2Å; V91-L95 PolarHBondContact O-N 3.03Å
92	D	75.8	Confident	83.8	Confident	123 Å²	123	48.8 Å²	48.8	66%	0.658	28%	0.278	S	S	*	.	H	α-helix	trans	-61.6	-38.7	-174.6	-57.7	-28.3	0	0	0	112.1	G90 L94 L95 E96	G90-D92 VanDerWaalsContact C-N 3.26Å; G90-D92 PolarHBondContact O-N 2.82Å; D92-L94 VanDerWaalsContact C-N 3.3Å; D92-L94 PolarHBondContact O-N 2.6Å; D92-L95 WeakPolarHBondContact O-CB 3.33Å; D92-L95 PolarHBondContact O-N 3.34Å; D92-E96 PolarHBondContact O-N 3.12Å
93	V	74.5	Confident	83.2	Confident	64 Å²	64	45.7 Å²	45.7	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-36.3	176.8	179	0	0	0	0	111.2	G89 V91 Y97	G89-V93 VanDerWaalsContact O-CG2 3.29Å; G89-V93 WeakPolarHBondContact O-CG2 3.49Å; V91-V93 VanDerWaalsContact C-N 3.31Å; V91-V93 PolarHBondContact O-N 3.47Å; V93-Y97 WeakPolarHBondContact O-CD2 3.44Å
94	L	83.5	Confident	81.6	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-75.2	-35	177.1	-64.8	172.8	0	0	0	111.9	M65 I80 A84 H87 V91 D92 E96 Y97 A98	M65-L94 HydrophobicContact CE-CB 4.42Å; M65-L94 HydrophobicContact SD-CB 3.66Å; I80-L94 HydrophobicContact CD1-CB 4.16Å; I80-L94 HydrophobicContact CD1-CD1 4.13Å; I80-L94 HydrophobicContact CD1-CD2 4.03Å; I80-L94 HydrophobicContact CD1-CG 4.35Å; A84-L94 HydrophobicContact CB-CD1 3.98Å; H87-L94 HydrophobicContact CB-CD1 3.49Å; H87-L94 VanDerWaalsContact CB-CD1 3.49Å; H87-L94 HydrophobicContact CB-CG 4.35Å; V91-L94 PolarHBondContact O-N 3.15Å; D92-L94 VanDerWaalsContact C-N 3.3Å; D92-L94 PolarHBondContact O-N 2.6Å; L94-E96 VanDerWaalsContact C-N 3.26Å; L94-E96 PolarHBondContact O-N 2.86Å; L94-Y97 CarbonylContact O-C 3.55Å; L94-Y97 PolarHBondContact O-N 2.8Å; L94-Y97 VanDerWaalsContact O-N 3.09Å; L94-A98 PolarHBondContact O-N 2.9Å
95	L	85.2	Confident	80.3	Confident	60 Å²	60	47.2 Å²	47.2	31%	0.314	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-34.9	175.7	-85.6	166.3	0	0	0	112.6	M65 V91 D92 Y97 A98	M65-L95 HydrophobicContact CE-CB 4.5Å; M65-L95 HydrophobicContact CE-CD2 3.66Å; M65-L95 HydrophobicContact CE-CG 3.61Å; V91-L95 HydrophobicContact CG1-CD1 3.91Å; V91-L95 HydrophobicContact CG1-CG 4.2Å; V91-L95 PolarHBondContact O-N 3.03Å; D92-L95 WeakPolarHBondContact O-CB 3.33Å; D92-L95 PolarHBondContact O-N 3.34Å; L95-Y97 PolarHBondContact O-N 2.68Å; L95-A98 WeakPolarHBondContact O-CB 3.32Å; L95-A98 PolarHBondContact O-N 2.92Å
96	E	79.7	Confident	79.6	Confident	146 Å²	146	47.4 Å²	47.4	68%	0.682	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.7	175.4	-71.2	-177.3	176.6	0	0	113.1	D92 L94	D92-E96 PolarHBondContact O-N 3.12Å; L94-E96 VanDerWaalsContact C-N 3.26Å; L94-E96 PolarHBondContact O-N 2.86Å
97	Y	84.8	Confident	78.5	Confident	92 Å²	92	52 Å²	52	36%	0.361	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	4.4	-178.8	-59.1	-83.9	0	0	0	113.2	V93 L94 L95 G99 T100 A102 A105	V93-Y97 WeakPolarHBondContact O-CD2 3.44Å; L94-Y97 CarbonylContact O-C 3.55Å; L94-Y97 PolarHBondContact O-N 2.8Å; L94-Y97 VanDerWaalsContact O-N 3.09Å; L95-Y97 PolarHBondContact O-N 2.68Å; Y97-G99 PolarHBondContact O-N 3.34Å; Y97-T100 WeakPolarHBondContact CA-OG1 3.24Å; Y97-T100 WeakPolarHBondContact O-CB 3.4Å; Y97-T100 PolarHBondContact O-N 2.84Å; Y97-T100 VanDerWaalsContact O-N 3.11Å; Y97-T100 PolarHBondContact O-OG1 2.78Å; Y97-A102 HydrophobicContact CD1-CB 4.5Å; Y97-A102 HydrophobicContact CG-CB 4.32Å; Y97-A105 HydrophobicContact CD1-CB 3.87Å; Y97-A105 HydrophobicContact CD2-CB 4.22Å; Y97-A105 HydrophobicContact CE1-CB 3.44Å; Y97-A105 VanDerWaalsContact CE1-CB 3.44Å; Y97-A105 HydrophobicContact CE2-CB 3.86Å; Y97-A105 HydrophobicContact CG-CB 4.23Å; Y97-A105 VanDerWaalsContact CZ-CB 3.45Å
98	A	89.5	Confident	77.1	Confident	8 Å²	8	54.9 Å²	54.9	7%	0.066	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	132.8	-179.5	0	0	0	0	0	111.2	N60 M65 L94 L95 T100	N60-A98 HydrophobicContact CB-CB 4.35Å; N60-A98 WeakPolarHBondContact CB-O 3.37Å; M65-A98 HydrophobicContact CG-CB 3.66Å; L94-A98 PolarHBondContact O-N 2.9Å; L95-A98 WeakPolarHBondContact O-CB 3.32Å; L95-A98 PolarHBondContact O-N 2.92Å; A98-T100 VanDerWaalsContact C-N 3.31Å
99	G	90.8	Very high	76.3	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	20.3	-174.1	0	0	0	0	0	114.3	L56 A57 H59 W66 Y97	L56-G99 WeakPolarHBondContact O-CA 3.45Å; A57-G99 WeakPolarHBondContact CA-O 3.1Å; H59-G99 PolarHBondContact O-N 3.48Å; H59-G99 VanDerWaalsContact O-N 3.17Å; W66-G99 PolarHBondContact O-N 3.49Å; Y97-G99 PolarHBondContact O-N 3.34Å
100	T	86.2	Confident	76.3	Confident	57 Å²	57	51.9 Å²	51.9	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	168.1	-178.8	77.3	0	0	0	0	113.2	A68 Y97 A98 A102	A68-T100 PolarHBondContact N-O 3.15Å; Y97-T100 WeakPolarHBondContact CA-OG1 3.24Å; Y97-T100 WeakPolarHBondContact O-CB 3.4Å; Y97-T100 PolarHBondContact O-N 2.84Å; Y97-T100 VanDerWaalsContact O-N 3.11Å; Y97-T100 PolarHBondContact O-OG1 2.78Å; A98-T100 VanDerWaalsContact C-N 3.31Å; T100-A102 PolarHBondContact O-N 3.29Å
101	D	86.1	Confident	75.1	Confident	50 Å²	50	52.3 Å²	52.3	27%	0.267	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	103.4	164.8	-173.6	-24.3	0	0	0	109.3	A68 S103	A68-D101 HydrophobicContact CB-CB 4.15Å; D101-S103 WeakPolarHBondContact OD1-CB 3.15Å; D101-S103 PolarHBondContact OD1-N 3.18Å; D101-S103 PolarHBondContact OD1-OG 2.79Å
102	A	84.8	Confident	73.7	Confident	6 Å²	6	56.1 Å²	56.1	5%	0.05	28%	0.283	C	S	.	.			trans	-94.4	10.4	-178.2	0	0	0	0	0	112.6	I67 A68 L69 Y97 T100 E104 A105 F106	I67-A102 HydrophobicContact CB-CB 4.13Å; I67-A102 HydrophobicContact CD1-CB 4.46Å; I67-A102 HydrophobicContact CG2-CB 4.37Å; A68-A102 PolarHBondContact O-N 2.91Å; L69-A102 HydrophobicContact CD2-CB 3.96Å; Y97-A102 HydrophobicContact CD1-CB 4.5Å; Y97-A102 HydrophobicContact CG-CB 4.32Å; T100-A102 PolarHBondContact O-N 3.29Å; A102-E104 PolarHBondContact O-N 3.18Å; A102-A105 PolarHBondContact O-N 3.3Å; A102-F106 WeakPolarHBondContact O-CB 3.49Å; A102-F106 PolarHBondContact O-N 3.42Å
103	S	78.9	Confident	73.1	Confident	20 Å²	20	52 Å²	52	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-53.2	-42.8	-173.6	-56.4	0	0	0	0	112.7	A68 L69 D70 D101 R107	A68-S103 PolarHBondContact O-N 2.94Å; L69-S103 WeakPolarHBondContact CA-OG 3.32Å; D70-S103 WeakPolarHBondContact CB-OG 3.19Å; D70-S103 PolarHBondContact N-OG 3.21Å; D101-S103 WeakPolarHBondContact OD1-CB 3.15Å; D101-S103 PolarHBondContact OD1-N 3.18Å; D101-S103 PolarHBondContact OD1-OG 2.79Å; S103-R107 WeakPolarHBondContact O-CB 3.42Å; S103-R107 PolarHBondContact O-N 2.94Å
104	E	59.4	Low	72.9	Confident	32 Å²	32	51.5 Å²	51.5	15%	0.15	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-49.5	-179.2	175.2	146.7	-129.9	0	0	112	A102 F106 R107 M108 R133 G134 G135	A102-E104 PolarHBondContact O-N 3.18Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 2.83Å; E104-R107 PolarHBondContact O-N 2.98Å; E104-R107 IonicContact OE1-NH2 2.79Å; E104-R107 PolarHBondContact OE1-NH2 3.33Å; E104-M108 HydrophobicContact CG-CG 4.37Å; E104-M108 HydrophobicContact CG-SD 4.01Å; E104-M108 WeakPolarHBondContact O-CB 3.35Å; E104-M108 VanDerWaalsContact O-CG 3.28Å; E104-M108 WeakPolarHBondContact O-CG 3.1Å; E104-M108 PolarHBondContact O-N 2.8Å; E104-R133 VanDerWaalsContact OE2-C 3.23Å; E104-R133 VanDerWaalsContact OE2-O 3.06Å; E104-G134 WeakPolarHBondContact OE2-CA 3.23Å; E104-G134 PolarHBondContact OE2-N 2.83Å; E104-G134 VanDerWaalsContact OE2-N 3.12Å; E104-G135 WeakPolarHBondContact OE1-CA 3.48Å; E104-G135 PolarHBondContact OE1-N 3.27Å; E104-G135 PolarHBondContact OE2-N 3.08Å; E104-G135 VanDerWaalsContact OE2-N 3.11Å
105	A	63.5	Low	72.6	Confident	21 Å²	21	51.2 Å²	51.2	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-41.7	177	0	0	0	0	0	111.3	Y97 A102 A109	Y97-A105 HydrophobicContact CD1-CB 3.87Å; Y97-A105 HydrophobicContact CD2-CB 4.22Å; Y97-A105 HydrophobicContact CE1-CB 3.44Å; Y97-A105 VanDerWaalsContact CE1-CB 3.44Å; Y97-A105 HydrophobicContact CE2-CB 3.86Å; Y97-A105 HydrophobicContact CG-CB 4.23Å; Y97-A105 VanDerWaalsContact CZ-CB 3.45Å; A102-A105 PolarHBondContact O-N 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.43Å; A105-A109 PolarHBondContact O-N 3.42Å
106	F	73.2	Confident	72.2	Confident	48 Å²	48	53.8 Å²	53.8	21%	0.211	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-47.7	174.8	-175.2	-92.7	0	0	0	111.9	L69 A102 E104 M108 A109 H110 V113 T115	L69-F106 HydrophobicContact CD1-CD2 4.09Å; L69-F106 HydrophobicContact CD1-CE2 4.4Å; L69-F106 HydrophobicContact CD1-CG 4.17Å; L69-F106 HydrophobicContact CD2-CB 3.43Å; L69-F106 VanDerWaalsContact CD2-CB 3.43Å; L69-F106 HydrophobicContact CD2-CD1 4.44Å; L69-F106 HydrophobicContact CD2-CD2 4.28Å; L69-F106 HydrophobicContact CD2-CG 3.81Å; A102-F106 WeakPolarHBondContact O-CB 3.49Å; A102-F106 PolarHBondContact O-N 3.42Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 2.83Å; F106-M108 VanDerWaalsContact C-N 3.32Å; F106-M108 PolarHBondContact O-N 3.09Å; F106-A109 PolarHBondContact O-N 3.21Å; F106-H110 HydrophobicContact CD1-CB 4.49Å; F106-H110 HydrophobicContact CD2-CB 4Å; F106-H110 AromaticContact CD2-ND1 3.9Å; F106-H110 HydrophobicContact CE1-CB 4.3Å; F106-H110 HydrophobicContact CE2-CB 3.79Å; F106-H110 HydrophobicContact CG-CB 4.34Å; F106-H110 HydrophobicContact CZ-CB 3.94Å; F106-H110 CarbonylContact O-C 3.32Å; F106-H110 WeakPolarHBondContact O-CA 3.48Å; F106-H110 VanDerWaalsContact O-CB 3.26Å; F106-H110 WeakPolarHBondContact O-CB 3.37Å; F106-H110 PolarHBondContact O-N 3.25Å; F106-V113 HydrophobicContact CZ-CB 4.41Å; F106-V113 WeakPolarHBondContact CZ-O 3.49Å; F106-T115 HydrophobicContact CD1-CG2 4.49Å; F106-T115 HydrophobicContact CE1-CG2 3.71Å; F106-T115 HydrophobicContact CE2-CG2 4.26Å; F106-T115 HydrophobicContact CZ-CG2 3.57Å
107	R	65	Low	72.2	Confident	130 Å²	130	49.2 Å²	49.2	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-59.8	-42.3	177.7	179.6	179.2	58.6	-156.9	-4.7	111.7	S103 E104 S111	S103-R107 WeakPolarHBondContact O-CB 3.42Å; S103-R107 PolarHBondContact O-N 2.94Å; E104-R107 PolarHBondContact O-N 2.98Å; E104-R107 IonicContact OE1-NH2 2.79Å; E104-R107 PolarHBondContact OE1-NH2 3.33Å; R107-S111 WeakPolarHBondContact O-CA 3.45Å; R107-S111 WeakPolarHBondContact O-CB 3.49Å; R107-S111 PolarHBondContact O-N 3.08Å; R107-S111 VanDerWaalsContact O-N 3.08Å
108	M	54.1	Low	72.4	Confident	72 Å²	72	45.2 Å²	45.2	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-69.1	-42.5	179.7	-71	-176.9	72	0	0	112.6	E104 F106 M136 K627	E104-M108 HydrophobicContact CG-CG 4.37Å; E104-M108 HydrophobicContact CG-SD 4.01Å; E104-M108 WeakPolarHBondContact O-CB 3.35Å; E104-M108 VanDerWaalsContact O-CG 3.28Å; E104-M108 WeakPolarHBondContact O-CG 3.1Å; E104-M108 PolarHBondContact O-N 2.8Å; F106-M108 VanDerWaalsContact C-N 3.32Å; F106-M108 PolarHBondContact O-N 3.09Å; M108-M136 HydrophobicContact CE-CE 4.26Å; M108-K627 HydrophobicContact CE-CD 3.99Å
109	A	57.7	Low	72.4	Confident	27 Å²	27	46.9 Å²	46.9	22%	0.223	25%	0.25	C	S	.	.	H	α-helix	trans	-89.5	-25.8	-175.3	0	0	0	0	0	113.4	A105 F106 Y112	A105-A109 WeakPolarHBondContact O-CB 3.43Å; A105-A109 PolarHBondContact O-N 3.42Å; F106-A109 PolarHBondContact O-N 3.21Å; A109-Y112 WeakPolarHBondContact O-CE1 3.37Å; A109-Y112 PolarHBondContact O-OH 3.05Å
110	H	68.4	Low	72.4	Confident	38 Å²	38	50.8 Å²	50.8	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-139.6	29.7	-165.9	-52.3	101.7	0	0	0	112.1	H87 F106 Y112 V113	H87-H110 AromaticContact CE1-NE2 3.97Å; H87-H110 AromaticContact NE2-CE1 3.45Å; H87-H110 PolarHBondContact NE2-CE1 3.4Å; H87-H110 AromaticContact NE2-NE2 3.22Å; H87-H110 PolarHBondContact NE2-NE2 3.28Å; F106-H110 HydrophobicContact CD1-CB 4.49Å; F106-H110 HydrophobicContact CD2-CB 4Å; F106-H110 AromaticContact CD2-ND1 3.9Å; F106-H110 HydrophobicContact CE1-CB 4.3Å; F106-H110 HydrophobicContact CE2-CB 3.79Å; F106-H110 HydrophobicContact CG-CB 4.34Å; F106-H110 HydrophobicContact CZ-CB 3.94Å; F106-H110 CarbonylContact O-C 3.32Å; F106-H110 WeakPolarHBondContact O-CA 3.48Å; F106-H110 VanDerWaalsContact O-CB 3.26Å; F106-H110 WeakPolarHBondContact O-CB 3.37Å; F106-H110 PolarHBondContact O-N 3.25Å; H110-Y112 PolarHBondContact O-N 3.46Å; H110-V113 HydrophobicContact CB-CB 3.94Å; H110-V113 HydrophobicContact CB-CG2 3.88Å; H110-V113 PolarHBondContact O-N 3.12Å
111	S	54.5	Low	72.8	Confident	29 Å²	29	48.5 Å²	48.5	20%	0.203	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-33.4	173.3	55.2	0	0	0	0	111.9	R107 R402	R107-S111 WeakPolarHBondContact O-CA 3.45Å; R107-S111 WeakPolarHBondContact O-CB 3.49Å; R107-S111 PolarHBondContact O-N 3.08Å; R107-S111 VanDerWaalsContact O-N 3.08Å; S111-R402 PolarHBondContact O-NH1 3.19Å; S111-R402 PolarHBondContact O-NH2 2.94Å; S111-R402 VanDerWaalsContact O-NH2 3.13Å
112	Y	52.3	Low	73.3	Confident	127 Å²	127	47.3 Å²	47.3	50%	0.498	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.8	178.7	57.5	-91.7	0	0	0	116.5	A109 H110	A109-Y112 WeakPolarHBondContact O-CE1 3.37Å; A109-Y112 PolarHBondContact O-OH 3.05Å; H110-Y112 PolarHBondContact O-N 3.46Å
113	V	63.8	Low	73.7	Confident	37 Å²	37	49.6 Å²	49.6	22%	0.224	25%	0.25	C	C	.	.	S	Bend	trans	-104.7	125.1	-176.4	-171.9	0	0	0	0	109.7	F106 H110 M117	F106-V113 HydrophobicContact CZ-CB 4.41Å; F106-V113 WeakPolarHBondContact CZ-O 3.49Å; H110-V113 HydrophobicContact CB-CB 3.94Å; H110-V113 HydrophobicContact CB-CG2 3.88Å; H110-V113 PolarHBondContact O-N 3.12Å; V113-M117 HydrophobicContact CG1-CE 3.33Å; V113-M117 HydrophobicContact CG1-SD 4.09Å
114	S	70	Confident	74.4	Confident	53 Å²	53	48.7 Å²	48.7	37%	0.371	24%	0.243	S	C	.	.			trans	-75.4	137.8	172	174.7	0	0	0	0	111	N116	S114-N116 PolarHBondContact O-N 3.48Å; S114-N116 VanDerWaalsContact OG-CB 3.26Å; S114-N116 WeakPolarHBondContact OG-CB 3.48Å; S114-N116 PolarHBondContact OG-N 3.12Å; S114-N116 PolarHBondContact OG-ND2 2.78Å; S114-N116 PolarHBondContact OG-OD1 3.13Å
115	T	77.9	Confident	75.8	Confident	14 Å²	14	50.7 Å²	50.7	9%	0.086	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-70	-3.1	170.8	54.3	0	0	0	0	112.7	L69 F106 M117 I118 S119	L69-T115 HydrophobicContact CD1-CG2 3.71Å; F106-T115 HydrophobicContact CD1-CG2 4.49Å; F106-T115 HydrophobicContact CE1-CG2 3.71Å; F106-T115 HydrophobicContact CE2-CG2 4.26Å; F106-T115 HydrophobicContact CZ-CG2 3.57Å; T115-M117 PolarHBondContact O-N 3.23Å; T115-I118 CarbonylContact O-C 3.58Å; T115-I118 WeakPolarHBondContact O-CG1 2.84Å; T115-I118 PolarHBondContact O-N 2.63Å; T115-S119 PolarHBondContact O-N 3.1Å; T115-S119 VanDerWaalsContact O-N 3.08Å
116	N	75.1	Confident	76.9	Confident	115 Å²	115	50.5 Å²	50.5	62%	0.615	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-51.8	-34.2	177	-73.9	-9.8	0	0	0	112.9	S114 I118 S119	S114-N116 PolarHBondContact O-N 3.48Å; S114-N116 VanDerWaalsContact OG-CB 3.26Å; S114-N116 WeakPolarHBondContact OG-CB 3.48Å; S114-N116 PolarHBondContact OG-N 3.12Å; S114-N116 PolarHBondContact OG-ND2 2.78Å; S114-N116 PolarHBondContact OG-OD1 3.13Å; N116-I118 PolarHBondContact O-N 2.87Å; N116-S119 WeakPolarHBondContact O-CB 3.45Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 PolarHBondContact O-OG 3.21Å
117	M	81	Confident	77.1	Confident	50 Å²	50	53.2 Å²	53.2	25%	0.246	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-67.1	-18	177.8	68.2	-179.9	67	0	0	114.3	I29 W32 Y41 V113 T115	I29-M117 HydrophobicContact CD1-SD 3.82Å; W32-M117 PolarHBondContact NE1-O 3.31Å; Y41-M117 PolarHBondContact OH-O 3.34Å; V113-M117 HydrophobicContact CG1-CE 3.33Å; V113-M117 HydrophobicContact CG1-SD 4.09Å; T115-M117 PolarHBondContact O-N 3.23Å
118	I	89.4	Confident	76.7	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.036	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-115.6	7	174.5	60.8	169.4	0	0	0	112.1	W32 L69 Y78 I80 F83 T115 N116 R120 L121	W32-I118 HydrophobicContact CZ2-CG2 4.08Å; L69-I118 HydrophobicContact CD1-CD1 4.17Å; Y78-I118 HydrophobicContact CD1-CD1 4.13Å; Y78-I118 HydrophobicContact CD1-CG1 4.13Å; Y78-I118 WeakPolarHBondContact CD1-O 3.29Å; Y78-I118 HydrophobicContact CD2-CD1 4.11Å; Y78-I118 HydrophobicContact CE1-CG1 4.28Å; Y78-I118 HydrophobicContact CE2-CD1 4.49Å; Y78-I118 HydrophobicContact CG-CD1 3.9Å; Y78-I118 HydrophobicContact CG-CG1 4.41Å; I80-I118 HydrophobicContact CG2-CD1 4.19Å; F83-I118 HydrophobicContact CB-CG2 4.26Å; F83-I118 HydrophobicContact CD1-CG2 4.11Å; F83-I118 HydrophobicContact CD2-CG2 4Å; F83-I118 HydrophobicContact CE1-CG2 4.48Å; F83-I118 HydrophobicContact CE2-CG2 4.38Å; F83-I118 HydrophobicContact CG-CG2 3.85Å; T115-I118 CarbonylContact O-C 3.58Å; T115-I118 WeakPolarHBondContact O-CG1 2.84Å; T115-I118 PolarHBondContact O-N 2.63Å; N116-I118 PolarHBondContact O-N 2.87Å; I118-R120 VanDerWaalsContact C-N 3.25Å; I118-R120 PolarHBondContact O-N 3.09Å; I118-R120 VanDerWaalsContact O-N 3.13Å; I118-L121 HydrophobicContact CB-CD1 4.02Å; I118-L121 HydrophobicContact CB-CG 4.43Å; I118-L121 HydrophobicContact CG2-CD1 4.03Å; I118-L121 WeakPolarHBondContact O-CA 3.38Å; I118-L121 VanDerWaalsContact O-CB 3.26Å; I118-L121 WeakPolarHBondContact O-CB 3.15Å; I118-L121 PolarHBondContact O-N 3.09Å
119	S	88.5	Confident	76.2	Confident	44 Å²	44	54.9 Å²	54.9	31%	0.308	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.4	-37.8	-175.1	57.3	0	0	0	0	113.9	T115 N116 L121 Q122	T115-S119 PolarHBondContact O-N 3.1Å; T115-S119 VanDerWaalsContact O-N 3.08Å; N116-S119 WeakPolarHBondContact O-CB 3.45Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 PolarHBondContact O-OG 3.21Å; S119-L121 PolarHBondContact O-N 3.07Å; S119-Q122 VanDerWaalsContact O-CB 3.28Å; S119-Q122 WeakPolarHBondContact O-CB 3.19Å; S119-Q122 PolarHBondContact O-N 3.45Å
120	R	91.7	Very high	74.9	Confident	89 Å²	89	57.7 Å²	57.7	34%	0.336	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-72.8	-13.5	178.2	-65.7	-173.6	172.3	-97.2	1.3	114.8	Y41 L42 E44 I118 Q122	Y41-R120 HydrophobicContact CE1-CB 3.97Å; Y41-R120 HydrophobicContact CE1-CG 3.92Å; Y41-R120 HydrophobicContact CE2-CB 4.23Å; Y41-R120 WeakPolarHBondContact O-CD 3.3Å; L42-R120 PolarHBondContact O-NH1 2.91Å; E44-R120 HydrophobicContact CB-CB 4Å; E44-R120 PolarHBondContact O-NH1 2.8Å; E44-R120 VanDerWaalsContact O-NH1 3.12Å; I118-R120 VanDerWaalsContact C-N 3.25Å; I118-R120 PolarHBondContact O-N 3.09Å; I118-R120 VanDerWaalsContact O-N 3.13Å; R120-Q122 PolarHBondContact O-N 3.49Å
121	L	94.2	Very high	73.2	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-84.8	3.4	176	-51.8	-177.4	0	0	0	112.7	W32 Y41 D79 F83 I118 S119 K123	W32-L121 HydrophobicContact CH2-CD1 3.83Å; W32-L121 HydrophobicContact CZ2-CD1 3.95Å; Y41-L121 HydrophobicContact CD2-CD2 4.45Å; Y41-L121 HydrophobicContact CE2-CD2 4.02Å; Y41-L121 HydrophobicContact CE2-CG 4.2Å; D79-L121 PolarHBondContact N-O 2.71Å; D79-L121 WeakPolarHBondContact O-CB 3.42Å; D79-L121 WeakPolarHBondContact O-CD1 3.4Å; F83-L121 HydrophobicContact CB-CD1 4.09Å; I118-L121 HydrophobicContact CB-CD1 4.02Å; I118-L121 HydrophobicContact CB-CG 4.43Å; I118-L121 HydrophobicContact CG2-CD1 4.03Å; I118-L121 WeakPolarHBondContact O-CA 3.38Å; I118-L121 VanDerWaalsContact O-CB 3.26Å; I118-L121 WeakPolarHBondContact O-CB 3.15Å; I118-L121 PolarHBondContact O-N 3.09Å; S119-L121 PolarHBondContact O-N 3.07Å; L121-K123 PolarHBondContact O-N 3.09Å
122	Q	95.2	Very high	72	Confident	24 Å²	24	59.2 Å²	59.2	11%	0.112	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.3	179.6	171.8	179.6	-29.7	0	0	111.5	P46 T47 N48 I76 V77 Y78 S119 R120	P46-Q122 WeakPolarHBondContact CA-O 3.3Å; P46-Q122 HydrophobicContact CB-CB 4.13Å; P46-Q122 HydrophobicContact CB-CG 4.49Å; T47-Q122 PolarHBondContact N-O 3.14Å; T47-Q122 PolarHBondContact O-NE2 3.11Å; N48-Q122 PolarHBondContact OD1-NE2 3.2Å; I76-Q122 HydrophobicContact CG2-CB 4.22Å; I76-Q122 HydrophobicContact CG2-CG 3.55Å; V77-Q122 WeakPolarHBondContact O-CA 3.06Å; Y78-Q122 HydrophobicContact CD1-CB 4.13Å; Y78-Q122 HydrophobicContact CE1-CB 4.02Å; S119-Q122 VanDerWaalsContact O-CB 3.28Å; S119-Q122 WeakPolarHBondContact O-CB 3.19Å; S119-Q122 PolarHBondContact O-N 3.45Å; R120-Q122 PolarHBondContact O-N 3.49Å
123	K	94	Very high	70.8	Confident	55 Å²	55	64.1 Å²	64.1	24%	0.239	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-30	172.7	-65	-64.9	-178	177.3	0	113	T47 M49 I51 W66 V77 D79 L121	T47-K123 CarbonylContact C-O 3.57Å; T47-K123 VanDerWaalsContact C-O 3.32Å; T47-K123 WeakPolarHBondContact CB-O 3.48Å; T47-K123 CarbonylContact O-C 3.53Å; T47-K123 VanDerWaalsContact O-O 3.06Å; T47-K123 WeakPolarHBondContact OG1-CA 3.46Å; T47-K123 PolarHBondContact OG1-O 3.5Å; M49-K123 PolarHBondContact N-O 3.48Å; I51-K123 HydrophobicContact CD1-CB 3.76Å; W66-K123 HydrophobicContact CD2-CG 4.23Å; W66-K123 HydrophobicContact CE3-CG 4.41Å; W66-K123 HydrophobicContact CH2-CB 4.35Å; W66-K123 HydrophobicContact CH2-CD 4.37Å; W66-K123 HydrophobicContact CH2-CG 4.1Å; W66-K123 HydrophobicContact CZ2-CD 4.01Å; W66-K123 HydrophobicContact CZ2-CG 3.89Å; W66-K123 HydrophobicContact CZ3-CB 4.3Å; W66-K123 HydrophobicContact CZ3-CG 4.36Å; V77-K123 HydrophobicContact CG1-CB 4.41Å; V77-K123 PolarHBondContact O-N 2.87Å; D79-K123 HydrophobicContact CB-CD 4.16Å; D79-K123 HydrophobicContact CB-CG 3.81Å; D79-K123 WeakPolarHBondContact OD2-CE 3.16Å; D79-K123 IonicContact OD2-NZ 3.71Å; D79-K123 PolarHBondContact OD2-NZ 3.19Å; D79-K123 VanDerWaalsContact OD2-NZ 3.13Å; L121-K123 PolarHBondContact O-N 3.09Å
124	G	92.8	Very high	69.3	Low	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-156.8	-175.6	0	0	0	0	0	114.3	T47 M49 I76 V77	T47-G124 WeakPolarHBondContact O-CA 3.46Å; T47-G124 PolarHBondContact O-N 3.42Å; M49-G124 CarbonylContact O-C 3.47Å; M49-G124 WeakPolarHBondContact O-CA 3.35Å; I76-G124 WeakPolarHBondContact CA-O 3.46Å; V77-G124 PolarHBondContact N-O 2.87Å
125	Y	90	Very high	67.6	Low	75 Å²	75	63.3 Å²	63.3	29%	0.294	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138	178.5	-59.1	-84.2	0	0	0	110.2	N48 M49 I51 K74 T75 I76 K127	N48-Y125 HydrophobicContact CB-CE2 4.17Å; N48-Y125 WeakPolarHBondContact OD1-CE2 3.43Å; M49-Y125 PolarHBondContact O-N 3.17Å; I51-Y125 PolarHBondContact N-O 2.89Å; K74-Y125 HydrophobicContact CB-CD1 4.24Å; K74-Y125 HydrophobicContact CB-CE1 4.26Å; K74-Y125 HydrophobicContact CD-CD1 4.49Å; K74-Y125 HydrophobicContact CD-CE1 4.01Å; T75-Y125 CarbonylContact O-C 3.49Å; T75-Y125 WeakPolarHBondContact O-CA 3.36Å; I76-Y125 HydrophobicContact CD1-CE1 4.47Å; I76-Y125 HydrophobicContact CG1-CD1 4.08Å; I76-Y125 HydrophobicContact CG1-CE1 3.89Å; Y125-K127 PolarHBondContact O-N 3.48Å
126	L	87.2	Confident	66	Low	16 Å²	16	64.6 Å²	64.6	8%	0.084	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.8	178.2	-168	67	0	0	0	110	I51 L56 A68 T75 V77 Q128 S129	I51-L126 CarbonylContact O-C 3.54Å; I51-L126 VanDerWaalsContact O-CA 3.23Å; I51-L126 WeakPolarHBondContact O-CA 3.36Å; I51-L126 WeakPolarHBondContact O-CD1 3.39Å; L56-L126 HydrophobicContact CB-CD1 4.1Å; L56-L126 HydrophobicContact CD2-CD1 3.81Å; L56-L126 HydrophobicContact CD2-CD2 4.25Å; A68-L126 HydrophobicContact CB-CD2 3.9Å; T75-L126 HydrophobicContact CG2-CB 3.8Å; T75-L126 HydrophobicContact CG2-CD2 3.86Å; T75-L126 HydrophobicContact CG2-CG 4.5Å; T75-L126 PolarHBondContact O-N 2.7Å; V77-L126 HydrophobicContact CG2-CB 4.06Å; V77-L126 HydrophobicContact CG2-CD1 4.3Å; L126-Q128 PolarHBondContact O-N 2.86Å; L126-S129 WeakPolarHBondContact CD2-OG 3.32Å; L126-S129 VanDerWaalsContact CG-OG 3.29Å; L126-S129 WeakPolarHBondContact CG-OG 3.32Å
127	K	77.4	Confident	64.6	Low	106 Å²	106	59.5 Å²	59.5	46%	0.461	32%	0.321	S	S	.	.			trans	-64.1	102	173.4	-72.4	-176.5	175.8	178.1	0	108.2	E50 I51 D52 Y125 S129	E50-K127 HydrophobicContact CB-CD 4.26Å; E50-K127 HydrophobicContact CB-CG 3.94Å; E50-K127 WeakPolarHBondContact OE2-CE 3.49Å; E50-K127 IonicContact OE2-NZ 2.65Å; I51-K127 PolarHBondContact O-N 3.4Å; D52-K127 HydrophobicContact CB-CB 4.28Å; D52-K127 HydrophobicContact CB-CD 4.2Å; Y125-K127 PolarHBondContact O-N 3.48Å; K127-S129 PolarHBondContact O-N 3.15Å; K127-S129 PolarHBondContact O-OG 3.42Å; K127-S129 VanDerWaalsContact O-OG 3.1Å
128	Q	55.7	Low	63.3	Low	201 Å²	201	58.1 Å²	58.1	94%	0.939	31%	0.314	S	S	*	.			trans	10.1	75.6	173.6	-72.7	-178.2	-2.9	0	0	113.8	L126	L126-Q128 PolarHBondContact O-N 2.86Å
129	S	42.9	Very low	61.8	Low	36 Å²	36	58.7 Å²	58.7	25%	0.252	32%	0.317	S	S	.	.			trans	-89.8	138.4	176.7	-55	0	0	0	0	109.1	S53 L126 K127	S53-S129 WeakPolarHBondContact CB-OG 3.19Å; L126-S129 WeakPolarHBondContact CD2-OG 3.32Å; L126-S129 VanDerWaalsContact CG-OG 3.29Å; L126-S129 WeakPolarHBondContact CG-OG 3.32Å; K127-S129 PolarHBondContact O-N 3.15Å; K127-S129 PolarHBondContact O-OG 3.42Å; K127-S129 VanDerWaalsContact O-OG 3.1Å
130	A	31.6	Very low	60.4	Low	86 Å²	86	56.9 Å²	56.9	71%	0.711	30%	0.304	S	S	*	.			trans	-53.9	148.5	-173	0	0	0	0	0	113.5	G132	A130-G132 PolarHBondContact O-N 2.83Å; A130-G132 VanDerWaalsContact O-N 3.08Å
131	P	31.7	Very low	58.8	Low	59 Å²	59	53 Å²	53	38%	0.383	29%	0.29	S	S	.	.			trans	-37.2	109.8	-179.7	-14.1	0.8	0	0	0	114.8	I345	P131-I345 VanDerWaalsContact CA-CD1 3.45Å; P131-I345 HydrophobicContact CB-CB 3.97Å; P131-I345 HydrophobicContact CB-CD1 3.4Å; P131-I345 HydrophobicContact CB-CG1 3.51Å; P131-I345 HydrophobicContact CG-CB 4.21Å; P131-I345 HydrophobicContact CG-CD1 3.57Å; P131-I345 HydrophobicContact CG-CG1 4.06Å
132	G	30.7	Very low	56.8	Low	40 Å²	40	54.6 Å²	54.6	41%	0.412	30%	0.301	S	S	.	.			trans	-51.9	142.5	169.9	0	0	0	0	0	112.1	A130	A130-G132 PolarHBondContact O-N 2.83Å; A130-G132 VanDerWaalsContact O-N 3.08Å
133	R	26.2	Very low	54.5	Low	230 Å²	230	58.1 Å²	58.1	87%	0.868	32%	0.316	S	S	*	.	S	Bend	trans	-71.2	135.6	179.5	-61.3	176.5	179.7	-169.4	-0.8	110.1	E104	E104-R133 VanDerWaalsContact OE2-C 3.23Å; E104-R133 VanDerWaalsContact OE2-O 3.06Å
134	G	32.2	Very low	52.3	Low	48 Å²	48	55.9 Å²	55.9	50%	0.495	31%	0.306	S	S	.	.			trans	139.5	-3.4	154.8	0	0	0	0	0	117.8	E104 M136	E104-G134 WeakPolarHBondContact OE2-CA 3.23Å; E104-G134 PolarHBondContact OE2-N 2.83Å; E104-G134 VanDerWaalsContact OE2-N 3.12Å; G134-M136 PolarHBondContact O-N 3.42Å
135	G	33.4	Very low	49.9	Very low	24 Å²	24	60.9 Å²	60.9	25%	0.247	33%	0.332	C	S	.	.			trans	-50.3	118	178	0	0	0	0	0	111.3	E104 P137	E104-G135 WeakPolarHBondContact OE1-CA 3.48Å; E104-G135 PolarHBondContact OE1-N 3.27Å; E104-G135 PolarHBondContact OE2-N 3.08Å; E104-G135 VanDerWaalsContact OE2-N 3.11Å; G135-P137 VanDerWaalsContact O-CD 3.25Å; G135-P137 WeakPolarHBondContact O-CD 3.37Å
136	M	45.2	Very low	47.7	Very low	42 Å²	42	58 Å²	58	21%	0.207	32%	0.323	C	S	.	.			trans	-58.5	114.9	164.5	-75.2	-140.7	-114.1	0	0	106.7	M108 G134 N138 N463 K627	M108-M136 HydrophobicContact CE-CE 4.26Å; G134-M136 PolarHBondContact O-N 3.42Å; M136-N138 PolarHBondContact O-N 3.12Å; M136-N463 HydrophobicContact SD-CB 4.32Å; M136-N463 PolarHBondContact SD-ND2 3.22Å; M136-N463 VanDerWaalsContact SD-ND2 3.42Å; M136-K627 HydrophobicContact CE-CB 3.53Å; M136-K627 HydrophobicContact CE-CD 3.83Å; M136-K627 HydrophobicContact CE-CG 4Å
137	P	46.7	Very low	45.6	Very low	8 Å²	8	58.4 Å²	58.4	5%	0.052	33%	0.327	C	S	.	.			trans	-64	119.5	-171	21.3	-30	0	0	0	108.6	G135 Q139 F144 V340	G135-P137 VanDerWaalsContact O-CD 3.25Å; G135-P137 WeakPolarHBondContact O-CD 3.37Å; P137-Q139 PolarHBondContact O-N 3.37Å; P137-F144 HydrophobicContact CB-CD2 3.49Å; P137-F144 VanDerWaalsContact CB-CD2 3.49Å; P137-F144 HydrophobicContact CB-CE2 3.31Å; P137-F144 HydrophobicContact CG-CE2 4.07Å; P137-V340 HydrophobicContact CG-CB 4.42Å; P137-V340 HydrophobicContact CG-CG1 3.76Å
138	N	52.9	Low	43.9	Very low	21 Å²	21	63.5 Å²	63.5	11%	0.112	35%	0.349	C	S	.	.			trans	-64.3	99	158.5	176.8	-21.4	0	0	0	106.4	M136 L140 S141 L459 P460 I461	M136-N138 PolarHBondContact O-N 3.12Å; N138-L140 PolarHBondContact O-N 3.31Å; N138-L140 WeakPolarHBondContact OD1-CA 3.47Å; N138-L140 PolarHBondContact OD1-N 2.98Å; N138-S141 VanDerWaalsContact O-CB 3.32Å; N138-S141 WeakPolarHBondContact O-CB 3.41Å; N138-S141 PolarHBondContact O-N 3.21Å; N138-S141 PolarHBondContact O-OG 2.83Å; N138-S141 PolarHBondContact OD1-N 3.4Å; N138-L459 WeakPolarHBondContact ND2-CB 3.48Å; N138-P460 PolarHBondContact ND2-O 2.9Å; N138-P460 PolarHBondContact OD1-O 2.61Å; N138-I461 HydrophobicContact CB-CG1 4.2Å
139	Q	56.7	Low	43.2	Very low	19 Å²	19	58.8 Å²	58.8	9%	0.089	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.5	-174	-55.6	178.6	-34.1	0	0	112.5	P137 V217 Y222 Y386	P137-Q139 PolarHBondContact O-N 3.37Å; Q139-V217 HydrophobicContact CB-CG2 3.82Å; Q139-Y222 WeakPolarHBondContact O-CD2 3.38Å; Q139-Y222 WeakPolarHBondContact O-CE2 3.4Å; Q139-Y386 PolarHBondContact OE1-OH 3.02Å
140	L	59.6	Low	43.1	Very low	6 Å²	6	68.6 Å²	68.6	3%	0.031	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.4	175	-60.4	176.8	0	0	0	112.5	N138 R191 L193 R215 V217	N138-L140 PolarHBondContact O-N 3.31Å; N138-L140 WeakPolarHBondContact OD1-CA 3.47Å; N138-L140 PolarHBondContact OD1-N 2.98Å; L140-R191 WeakPolarHBondContact CD2-O 3.35Å; L140-L193 HydrophobicContact CB-CB 4.07Å; L140-L193 HydrophobicContact CB-CD2 3.84Å; L140-L193 HydrophobicContact CD1-CB 3.99Å; L140-L193 HydrophobicContact CD2-CB 4.41Å; L140-L193 HydrophobicContact CG-CB 4.38Å; L140-L193 VanDerWaalsContact O-CD2 3.24Å; L140-L193 WeakPolarHBondContact O-CD2 3.19Å; L140-R215 HydrophobicContact CD2-CB 4.32Å; L140-R215 WeakPolarHBondContact O-CD 3.27Å; L140-V217 HydrophobicContact CD2-CG2 4.07Å
141	S	58.7	Low	43.8	Very low	8 Å²	8	68.1 Å²	68.1	6%	0.056	35%	0.346	C	S	.	.	S	Bend	trans	-62.6	150.4	-175.2	66	0	0	0	0	112.5	N138 F143 F144	N138-S141 VanDerWaalsContact O-CB 3.32Å; N138-S141 WeakPolarHBondContact O-CB 3.41Å; N138-S141 PolarHBondContact O-N 3.21Å; N138-S141 PolarHBondContact O-OG 2.83Å; N138-S141 PolarHBondContact OD1-N 3.4Å; S141-F143 PolarHBondContact O-N 2.8Å; S141-F144 PolarHBondContact O-N 3.45Å; S141-F144 WeakPolarHBondContact OG-CB 3.48Å; S141-F144 PolarHBondContact OG-N 3.45Å; S141-F144 VanDerWaalsContact OG-N 3.11Å
142	P	51.6	Low	44.5	Very low	42 Å²	42	70.6 Å²	70.6	27%	0.273	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.4	172.4	-21.5	31	0	0	0	113.7	V349 L459	P142-V349 HydrophobicContact CG-CG2 4.23Å; P142-L459 HydrophobicContact CG-CD1 4.41Å
143	F	47.7	Very low	45.4	Very low	98 Å²	98	74.4 Å²	74.4	43%	0.43	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	1.8	-170.6	-55.2	-78.7	0	0	0	113.1	S141 I145 N347 V349	S141-F143 PolarHBondContact O-N 2.8Å; F143-I145 PolarHBondContact O-N 3.05Å; F143-N347 WeakPolarHBondContact CE2-O 3.32Å; F143-V349 HydrophobicContact CE2-CG2 3.82Å
144	F	48	Very low	46.7	Very low	8 Å²	8	66.5 Å²	66.5	4%	0.035	36%	0.362	C	S	.	.			trans	-60.3	116	174.6	-176.8	-108.8	0	0	0	109.6	P137 S141 P146 Y222 L338	P137-F144 HydrophobicContact CB-CD2 3.49Å; P137-F144 VanDerWaalsContact CB-CD2 3.49Å; P137-F144 HydrophobicContact CB-CE2 3.31Å; P137-F144 HydrophobicContact CG-CE2 4.07Å; S141-F144 PolarHBondContact O-N 3.45Å; S141-F144 WeakPolarHBondContact OG-CB 3.48Å; S141-F144 PolarHBondContact OG-N 3.45Å; S141-F144 VanDerWaalsContact OG-N 3.11Å; F144-P146 HydrophobicContact CD1-CB 4.33Å; F144-P146 HydrophobicContact CD1-CG 4.48Å; F144-P146 HydrophobicContact CE1-CB 3.62Å; F144-P146 HydrophobicContact CE1-CG 4.24Å; F144-P146 HydrophobicContact CZ-CB 4.25Å; F144-P146 WeakPolarHBondContact O-CD 3.11Å; F144-Y222 HydrophobicContact CD1-CD2 4.3Å; F144-Y222 HydrophobicContact CD1-CG 4.32Å; F144-L338 HydrophobicContact CD1-CD2 4.26Å; F144-L338 HydrophobicContact CE1-CD2 3.12Å; F144-L338 HydrophobicContact CE2-CD2 4.29Å; F144-L338 HydrophobicContact CZ-CD2 3.15Å
145	I	41.5	Very low	48.2	Very low	105 Å²	105	73.6 Å²	73.6	54%	0.538	38%	0.38	S	S	.	.			trans	-96.9	99.6	171.5	-57.3	173.2	0	0	0	105.9	F143	F143-I145 PolarHBondContact O-N 3.05Å
146	P	43.6	Very low	50	Low	15 Å²	15	77.4 Å²	77.4	10%	0.097	39%	0.39	C	S	.	.			trans	-61.9	150.2	175.4	19.1	-28.1	0	0	0	111.1	F144 I336	F144-P146 HydrophobicContact CD1-CB 4.33Å; F144-P146 HydrophobicContact CD1-CG 4.48Å; F144-P146 HydrophobicContact CE1-CB 3.62Å; F144-P146 HydrophobicContact CE1-CG 4.24Å; F144-P146 HydrophobicContact CZ-CB 4.25Å; F144-P146 WeakPolarHBondContact O-CD 3.11Å; P146-I336 HydrophobicContact CB-CB 3.83Å; P146-I336 HydrophobicContact CB-CD1 4.39Å; P146-I336 HydrophobicContact CB-CG2 3.53Å; P146-I336 HydrophobicContact CG-CB 3.69Å; P146-I336 HydrophobicContact CG-CD1 3.36Å; P146-I336 HydrophobicContact CG-CG1 4.06Å; P146-I336 HydrophobicContact CG-CG2 3.71Å
147	S	44.4	Very low	51.5	Low	25 Å²	25	76.1 Å²	76.1	18%	0.175	38%	0.384	C	S	.	.			trans	-54.7	156.3	175.7	82.1	0	0	0	0	112.1	L149 G337 D339	S147-L149 PolarHBondContact O-N 3Å; S147-L149 VanDerWaalsContact O-N 3.15Å; S147-L149 PolarHBondContact OG-N 3.29Å; S147-G337 PolarHBondContact OG-O 3.38Å; S147-D339 VanDerWaalsContact OG-CB 3.24Å; S147-D339 WeakPolarHBondContact OG-CB 3.39Å; S147-D339 PolarHBondContact OG-N 3.27Å
148	K	41.2	Very low	53.2	Low	213 Å²	213	81.9 Å²	81.9	93%	0.926	41%	0.413	S	S	*	.	S	Bend	trans	-71.3	1.3	175	-74.7	-176.5	178.8	176.7	0	113.4	R150	K148-R150 PolarHBondContact O-N 2.99Å
149	L	40.5	Very low	54.9	Low	102 Å²	102	83.5 Å²	83.5	53%	0.534	42%	0.418	S	S	.	.			trans	-72.2	101	-178.3	-146.7	82.9	0	0	0	109.4	S147 L151	S147-L149 PolarHBondContact O-N 3Å; S147-L149 VanDerWaalsContact O-N 3.15Å; S147-L149 PolarHBondContact OG-N 3.29Å; L149-L151 PolarHBondContact O-N 3.27Å; L149-L151 VanDerWaalsContact O-N 3.16Å
150	R	40.8	Very low	56.4	Low	242 Å²	242	87.2 Å²	87.2	91%	0.913	44%	0.439	S	S	*	.			trans	-71.9	103.7	165.8	-75.2	-171	179.4	-177.5	0.6	107.8	K148	K148-R150 PolarHBondContact O-N 2.99Å
151	L	46.1	Very low	58	Low	76 Å²	76	90.5 Å²	90.5	40%	0.398	45%	0.45	S	S	.	.			trans	-57.2	145.3	163.6	-72.7	161.7	0	0	0	109.1	L149 S153 E221	L149-L151 PolarHBondContact O-N 3.27Å; L149-L151 VanDerWaalsContact O-N 3.16Å; L151-S153 PolarHBondContact O-N 3.1Å; L151-E221 HydrophobicContact CD1-CG 4.14Å
152	S	48	Very low	59.4	Low	111 Å²	111	96 Å²	96	78%	0.776	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	107.8	-175.2	41.5	0	0	0	0	111.4	T154	S152-T154 PolarHBondContact O-N 3.39Å
153	S	49.1	Very low	61.1	Low	120 Å²	120	97.8 Å²	97.8	84%	0.839	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.2	72.9	170.7	71.8	0	0	0	0	116.1	L151	L151-S153 PolarHBondContact O-N 3.1Å
154	T	53.7	Low	63	Low	63 Å²	63	97.4 Å²	97.4	39%	0.387	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-83.3	128.5	164.9	52.1	0	0	0	0	109.8	S152 K156 E221	S152-T154 PolarHBondContact O-N 3.39Å; T154-K156 PolarHBondContact O-N 3.01Å; T154-E221 WeakPolarHBondContact CB-OE1 3.45Å; T154-E221 VanDerWaalsContact CB-OE2 3.25Å; T154-E221 WeakPolarHBondContact CB-OE2 3.35Å; T154-E221 WeakPolarHBondContact CG2-OE1 3.41Å; T154-E221 WeakPolarHBondContact CG2-OE2 3.34Å; T154-E221 PolarHBondContact OG1-OE1 2.88Å; T154-E221 PolarHBondContact OG1-OE2 3.04Å
155	K	62.5	Low	64.7	Low	197 Å²	197	100.4 Å²	100.4	86%	0.857	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-65.4	118.2	176.5	-78.6	-177.4	179.9	175.9	0	106.9
156	K	71.3	Confident	66.8	Low	105 Å²	105	99.4 Å²	99.4	46%	0.457	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-51.4	133.6	173.4	-174.1	179.9	175.1	-174.2	0	109.4	T154 D333	T154-K156 PolarHBondContact O-N 3.01Å; K156-D333 WeakPolarHBondContact CE-OD1 3.24Å; K156-D333 WeakPolarHBondContact CE-OD2 3.36Å; K156-D333 PolarHBondContact NZ-O 2.9Å; K156-D333 IonicContact NZ-OD1 3.41Å; K156-D333 PolarHBondContact NZ-OD1 3.18Å; K156-D333 IonicContact NZ-OD2 2.71Å; K156-D333 PolarHBondContact NZ-OD2 2.88Å
157	P	77.5	Confident	69	Low	15 Å²	15	102.2 Å²	102.2	10%	0.097	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-57.4	142.1	178.4	21.5	-32.1	0	0	0	110.9	I172 N173 Y174	P157-I172 HydrophobicContact CB-CG2 3.95Å; P157-N173 CarbonylContact C-O 3.51Å; P157-N173 VanDerWaalsContact CA-O 3.31Å; P157-N173 WeakPolarHBondContact CA-O 3.32Å; P157-N173 WeakPolarHBondContact CB-O 3.24Å; P157-Y174 HydrophobicContact CB-CD1 3.65Å; P157-Y174 HydrophobicContact CB-CE1 4Å; P157-Y174 HydrophobicContact CB-CG 4.28Å; P157-Y174 HydrophobicContact CG-CD1 4.03Å; P157-Y174 HydrophobicContact CG-CE1 4.07Å
158	I	82.6	Confident	71.2	Confident	129 Å²	129	101 Å²	101	66%	0.662	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.8	178.8	-59.2	173.4	0	0	0	107.1	N173	I158-N173 PolarHBondContact N-O 2.86Å; I158-N173 WeakPolarHBondContact O-CA 3.13Å; I158-N173 WeakPolarHBondContact O-CB 3.4Å; I158-N173 PolarHBondContact O-N 2.71Å
159	W	88.2	Confident	73.7	Confident	54 Å²	54	93 Å²	93	21%	0.205	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.9	176.7	59.7	-86.2	0	0	0	110.8	W161 L170 T171 I172 L225 L227 I327 V330 D333	W159-W161 AromaticContact CE3-CE3 3.99Å; W159-W161 HydrophobicContact CE3-CE3 3.99Å; W159-W161 AromaticContact CE3-CZ3 3.99Å; W159-W161 HydrophobicContact CE3-CZ3 3.99Å; W159-W161 AromaticContact CH2-CZ3 3.8Å; W159-W161 HydrophobicContact CH2-CZ3 3.8Å; W159-W161 AromaticContact CZ3-CE3 3.55Å; W159-W161 HydrophobicContact CZ3-CE3 3.55Å; W159-W161 HydrophobicContact CZ3-CH2 4.4Å; W159-W161 AromaticContact CZ3-CZ3 3.22Å; W159-W161 HydrophobicContact CZ3-CZ3 3.22Å; W159-L170 HydrophobicContact CE3-CD1 3.72Å; W159-L170 HydrophobicContact CZ3-CD1 4.29Å; W159-T171 CarbonylContact C-O 3.56Å; W159-T171 WeakPolarHBondContact CA-O 3.45Å; W159-T171 VanDerWaalsContact CB-O 3.3Å; W159-T171 WeakPolarHBondContact CB-O 3.43Å; W159-I172 HydrophobicContact CB-CB 4.17Å; W159-I172 HydrophobicContact CB-CG1 3.77Å; W159-I172 HydrophobicContact CB-CG2 4.26Å; W159-L225 HydrophobicContact CB-CD2 4.46Å; W159-L225 HydrophobicContact CD2-CD1 4.46Å; W159-L225 HydrophobicContact CD2-CD2 4.01Å; W159-L225 HydrophobicContact CE3-CD2 4.42Å; W159-L225 HydrophobicContact CG-CD2 3.98Å; W159-L225 HydrophobicContact CZ2-CD1 4.32Å; W159-L227 HydrophobicContact CH2-CD2 3.96Å; W159-L227 HydrophobicContact CZ2-CD2 4.33Å; W159-L227 HydrophobicContact CZ3-CD1 4.47Å; W159-L227 HydrophobicContact CZ3-CD2 4.35Å; W159-I327 HydrophobicContact CZ3-CD1 4.21Å; W159-V330 HydrophobicContact CH2-CG2 3.67Å; W159-V330 HydrophobicContact CZ2-CG2 3.46Å; W159-V330 VanDerWaalsContact CZ2-CG2 3.46Å; W159-D333 PolarHBondContact NE1-OD2 2.8Å
160	D	88.7	Confident	76.2	Confident	98 Å²	98	88.2 Å²	88.2	52%	0.524	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	168.6	-175.8	-166	13.7	0	0	0	109.1	T171	D160-T171 PolarHBondContact N-O 2.87Å; D160-T171 PolarHBondContact O-N 3.15Å; D160-T171 VanDerWaalsContact O-O 3.11Å
161	W	91.5	Very high	78.5	Confident	74 Å²	74	77.5 Å²	77.5	28%	0.28	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.1	177	61.5	80.9	0	0	0	113	W159 I168 E169 I327	W159-W161 AromaticContact CE3-CE3 3.99Å; W159-W161 HydrophobicContact CE3-CE3 3.99Å; W159-W161 AromaticContact CE3-CZ3 3.99Å; W159-W161 HydrophobicContact CE3-CZ3 3.99Å; W159-W161 AromaticContact CH2-CZ3 3.8Å; W159-W161 HydrophobicContact CH2-CZ3 3.8Å; W159-W161 AromaticContact CZ3-CE3 3.55Å; W159-W161 HydrophobicContact CZ3-CE3 3.55Å; W159-W161 HydrophobicContact CZ3-CH2 4.4Å; W159-W161 AromaticContact CZ3-CZ3 3.22Å; W159-W161 HydrophobicContact CZ3-CZ3 3.22Å; W161-I168 HydrophobicContact CB-CG2 3.73Å; W161-I168 HydrophobicContact CG-CG2 4.11Å; W161-E169 CarbonylContact C-O 3.56Å; W161-E169 WeakPolarHBondContact CA-O 3.12Å; W161-E169 WeakPolarHBondContact CB-O 3.31Å; W161-I327 HydrophobicContact CB-CG2 4.42Å; W161-I327 HydrophobicContact CD2-CD1 3.97Å; W161-I327 HydrophobicContact CD2-CG1 4.02Å; W161-I327 HydrophobicContact CD2-CG2 3.8Å; W161-I327 HydrophobicContact CE3-CD1 3.69Å; W161-I327 HydrophobicContact CE3-CG1 3.92Å; W161-I327 HydrophobicContact CG-CD1 4.38Å; W161-I327 HydrophobicContact CG-CG2 3.72Å; W161-I327 HydrophobicContact CH2-CG1 4.38Å; W161-I327 HydrophobicContact CZ2-CG1 4.48Å; W161-I327 HydrophobicContact CZ3-CD1 4.25Å; W161-I327 HydrophobicContact CZ3-CG1 4.13Å
162	K	89.1	Confident	80.5	Confident	125 Å²	125	74.1 Å²	74.1	54%	0.543	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.4	176.4	-69.9	-179.1	-178	173.9	0	110.6	Y164 I168 E169	K162-Y164 HydrophobicContact CB-CE2 3.78Å; K162-Y164 WeakPolarHBondContact O-CD2 3.32Å; K162-I168 CarbonylContact O-C 3.54Å; K162-I168 WeakPolarHBondContact O-CA 3.35Å; K162-E169 PolarHBondContact N-O 3.46Å; K162-E169 PolarHBondContact O-N 2.99Å
163	E	87.1	Confident	82.2	Confident	79 Å²	79	71.3 Å²	71.3	37%	0.369	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.9	178.1	-170.8	174.5	173	0	0	110.4	I168 K286	E163-I168 HydrophobicContact CB-CG1 4.47Å; E163-I168 HydrophobicContact CG-CG1 4.22Å; E163-K286 WeakPolarHBondContact OE1-CE 3.45Å; E163-K286 IonicContact OE1-NZ 3.41Å; E163-K286 PolarHBondContact OE1-NZ 3.42Å
164	Y	87.3	Confident	83.6	Confident	89 Å²	89	66.4 Å²	66.4	35%	0.349	34%	0.335	S	S	.	.			trans	-113	173.1	168.8	-58.7	-86.4	0	0	0	108.8	K162 S166 Y167 E169 K286	K162-Y164 HydrophobicContact CB-CE2 3.78Å; K162-Y164 WeakPolarHBondContact O-CD2 3.32Å; Y164-S166 PolarHBondContact O-N 2.86Å; Y164-Y167 CarbonylContact C-O 3.58Å; Y164-Y167 WeakPolarHBondContact CA-O 3.46Å; Y164-Y167 HydrophobicContact CD2-CD2 4.11Å; Y164-Y167 AromaticContact CD2-CE2 3.49Å; Y164-Y167 HydrophobicContact CD2-CE2 3.49Å; Y164-Y167 VanDerWaalsContact CD2-CE2 3.49Å; Y164-Y167 AromaticContact CD2-CZ 3.81Å; Y164-Y167 HydrophobicContact CE2-CE2 4.15Å; Y164-Y167 HydrophobicContact CG-CE1 4.39Å; Y164-Y167 HydrophobicContact CG-CE2 4.01Å; Y164-Y167 AromaticContact CG-CZ 3.84Å; Y164-Y167 PolarHBondContact N-O 3.2Å; Y164-E169 HydrophobicContact CD2-CB 4.07Å; Y164-E169 HydrophobicContact CE2-CB 3.56Å; Y164-E169 HydrophobicContact CE2-CG 4.47Å; Y164-E169 WeakPolarHBondContact CE2-OE2 3.42Å; Y164-E169 PolarHBondContact OH-OE2 3.26Å; Y164-K286 WeakPolarHBondContact O-CE 3.44Å; Y164-K286 PolarHBondContact O-NZ 2.99Å
165	G	84	Confident	84.2	Confident	72 Å²	72	64.7 Å²	64.7	74%	0.742	33%	0.33	S	S	*	.	S	Bend	trans	-49.3	-63.1	-172.1	0	0	0	0	0	113.8	K286	G165-K286 PolarHBondContact O-NZ 3.43Å
166	S	85.6	Confident	84.1	Confident	84 Å²	84	58.6 Å²	58.6	59%	0.587	31%	0.307	S	S	*	.	S	Bend	trans	-96.8	-7.5	-175.7	53.1	0	0	0	0	115.1	Y164 K286	Y164-S166 PolarHBondContact O-N 2.86Å; S166-K286 PolarHBondContact O-N 3.35Å
167	Y	89.8	Confident	83.4	Confident	73 Å²	73	54.5 Å²	54.5	29%	0.286	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	164.5	-174.8	68.8	-85	0	0	0	112.2	Y164 E169 N283 L284	Y164-Y167 CarbonylContact C-O 3.58Å; Y164-Y167 WeakPolarHBondContact CA-O 3.46Å; Y164-Y167 HydrophobicContact CD2-CD2 4.11Å; Y164-Y167 AromaticContact CD2-CE2 3.49Å; Y164-Y167 HydrophobicContact CD2-CE2 3.49Å; Y164-Y167 VanDerWaalsContact CD2-CE2 3.49Å; Y164-Y167 AromaticContact CD2-CZ 3.81Å; Y164-Y167 HydrophobicContact CE2-CE2 4.15Å; Y164-Y167 HydrophobicContact CG-CE1 4.39Å; Y164-Y167 HydrophobicContact CG-CE2 4.01Å; Y164-Y167 AromaticContact CG-CZ 3.84Å; Y164-Y167 PolarHBondContact N-O 3.2Å; Y167-E169 HydrophobicContact CE2-CB 4.32Å; Y167-N283 HydrophobicContact CD2-CB 3.83Å; Y167-N283 HydrophobicContact CE2-CB 4.46Å; Y167-N283 WeakPolarHBondContact CE2-OD1 3.37Å; Y167-N283 HydrophobicContact CG-CB 4.41Å; Y167-L284 CarbonylContact C-O 3.33Å; Y167-L284 VanDerWaalsContact CA-O 3.23Å; Y167-L284 WeakPolarHBondContact CA-O 3.48Å; Y167-L284 WeakPolarHBondContact CB-O 3.41Å
168	I	91.2	Very high	82	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.1	169.8	-61.7	176.3	0	0	0	107.7	W161 K162 E163 L233 N283 L284 F324 I327	W161-I168 HydrophobicContact CB-CG2 3.73Å; W161-I168 HydrophobicContact CG-CG2 4.11Å; K162-I168 CarbonylContact O-C 3.54Å; K162-I168 WeakPolarHBondContact O-CA 3.35Å; E163-I168 HydrophobicContact CB-CG1 4.47Å; E163-I168 HydrophobicContact CG-CG1 4.22Å; I168-L233 HydrophobicContact CD1-CD1 3.97Å; I168-L233 HydrophobicContact CD1-CD2 3.78Å; I168-L233 HydrophobicContact CG1-CD2 4.39Å; I168-N283 CarbonylContact O-C 3.56Å; I168-N283 WeakPolarHBondContact O-CA 3.26Å; I168-L284 HydrophobicContact CB-CB 4.31Å; I168-L284 PolarHBondContact N-O 3.29Å; I168-L284 PolarHBondContact O-N 2.75Å; I168-F324 HydrophobicContact CD1-CB 4.27Å; I168-F324 HydrophobicContact CD1-CD2 3.87Å; I168-F324 HydrophobicContact CD1-CE2 4.41Å; I168-F324 HydrophobicContact CD1-CG 4.06Å; I168-I327 HydrophobicContact CD1-CG2 3.84Å; I168-I327 HydrophobicContact CG2-CG2 3.96Å
169	E	92.8	Very high	80.2	Confident	45 Å²	45	58.2 Å²	58.2	21%	0.21	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.8	172.6	-176.5	176.8	-127.9	0	0	108.9	W161 K162 Y164 Y167	W161-E169 CarbonylContact C-O 3.56Å; W161-E169 WeakPolarHBondContact CA-O 3.12Å; W161-E169 WeakPolarHBondContact CB-O 3.31Å; K162-E169 PolarHBondContact N-O 3.46Å; K162-E169 PolarHBondContact O-N 2.99Å; Y164-E169 HydrophobicContact CD2-CB 4.07Å; Y164-E169 HydrophobicContact CE2-CB 3.56Å; Y164-E169 HydrophobicContact CE2-CG 4.47Å; Y164-E169 WeakPolarHBondContact CE2-OE2 3.42Å; Y164-E169 PolarHBondContact OH-OE2 3.26Å; Y167-E169 HydrophobicContact CE2-CB 4.32Å
170	L	92.7	Very high	77.9	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131	169.7	171.2	64.3	0	0	0	108.9	W159 L212 L214 L227 S281 I282 L284 I327	W159-L170 HydrophobicContact CE3-CD1 3.72Å; W159-L170 HydrophobicContact CZ3-CD1 4.29Å; L170-L212 HydrophobicContact CD2-CD2 3.99Å; L170-L214 HydrophobicContact CD2-CD1 3.94Å; L170-L227 HydrophobicContact CD2-CD1 3.71Å; L170-S281 CarbonylContact O-C 3.47Å; L170-S281 VanDerWaalsContact O-CA 3.24Å; L170-S281 WeakPolarHBondContact O-CA 3.42Å; L170-I282 HydrophobicContact CB-CG2 3.94Å; L170-I282 HydrophobicContact CD2-CG2 4.01Å; L170-I282 HydrophobicContact CG-CG2 4.25Å; L170-I282 PolarHBondContact N-O 2.9Å; L170-I282 PolarHBondContact O-N 2.89Å; L170-L284 HydrophobicContact CB-CD1 4.42Å; L170-I327 HydrophobicContact CD1-CD1 3.96Å
171	T	90	Very high	75.7	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.8	-172.3	-62.3	0	0	0	0	110.5	W159 D160 Q279 L280	W159-T171 CarbonylContact C-O 3.56Å; W159-T171 WeakPolarHBondContact CA-O 3.45Å; W159-T171 VanDerWaalsContact CB-O 3.3Å; W159-T171 WeakPolarHBondContact CB-O 3.43Å; D160-T171 PolarHBondContact N-O 2.87Å; D160-T171 PolarHBondContact O-N 3.15Å; D160-T171 VanDerWaalsContact O-O 3.11Å; T171-Q279 HydrophobicContact CG2-CG 3.21Å; T171-L280 CarbonylContact C-O 3.53Å; T171-L280 WeakPolarHBondContact CA-O 3.2Å
172	I	88.3	Confident	73.3	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.5	176.8	-52.7	170.7	0	0	0	108.6	P157 W159 Y174 L214 L225 Q279 L280	P157-I172 HydrophobicContact CB-CG2 3.95Å; W159-I172 HydrophobicContact CB-CB 4.17Å; W159-I172 HydrophobicContact CB-CG1 3.77Å; W159-I172 HydrophobicContact CB-CG2 4.26Å; I172-Y174 HydrophobicContact CB-CE2 4.13Å; I172-Y174 HydrophobicContact CG2-CD2 4.32Å; I172-Y174 HydrophobicContact CG2-CE1 3.99Å; I172-Y174 HydrophobicContact CG2-CE2 3.76Å; I172-L214 HydrophobicContact CD1-CB 4.34Å; I172-L214 HydrophobicContact CD1-CD1 3.65Å; I172-L225 HydrophobicContact CD1-CB 4.4Å; I172-L225 HydrophobicContact CD1-CD2 3.69Å; I172-L225 HydrophobicContact CG1-CD2 4.1Å; I172-Q279 CarbonylContact O-C 3.54Å; I172-Q279 VanDerWaalsContact O-CA 3.31Å; I172-Q279 WeakPolarHBondContact O-CA 3.49Å; I172-L280 HydrophobicContact CB-CB 4.32Å; I172-L280 HydrophobicContact CD1-CD2 4.29Å; I172-L280 PolarHBondContact N-O 3.33Å; I172-L280 PolarHBondContact O-N 2.81Å
173	N	84.1	Confident	70.9	Confident	53 Å²	53	49.8 Å²	49.8	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.9	175.8	-171.6	-12.9	0	0	0	110.2	P157 I158 G175 T278	P157-N173 CarbonylContact C-O 3.51Å; P157-N173 VanDerWaalsContact CA-O 3.31Å; P157-N173 WeakPolarHBondContact CA-O 3.32Å; P157-N173 WeakPolarHBondContact CB-O 3.24Å; I158-N173 PolarHBondContact N-O 2.86Å; I158-N173 WeakPolarHBondContact O-CA 3.13Å; I158-N173 WeakPolarHBondContact O-CB 3.4Å; I158-N173 PolarHBondContact O-N 2.71Å; N173-G175 VanDerWaalsContact C-N 3.31Å; N173-G175 WeakPolarHBondContact OD1-CA 3.44Å; N173-G175 PolarHBondContact OD1-N 2.83Å; N173-T278 WeakPolarHBondContact CA-O 3.4Å; N173-T278 PolarHBondContact OD1-O 2.85Å
174	Y	76.8	Confident	68.8	Low	17 Å²	17	49.1 Å²	49.1	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	1.9	178.5	-62.7	-86.5	0	0	0	113.3	P157 I172 T216 L218 H223 T278 L280	P157-Y174 HydrophobicContact CB-CD1 3.65Å; P157-Y174 HydrophobicContact CB-CE1 4Å; P157-Y174 HydrophobicContact CB-CG 4.28Å; P157-Y174 HydrophobicContact CG-CD1 4.03Å; P157-Y174 HydrophobicContact CG-CE1 4.07Å; I172-Y174 HydrophobicContact CB-CE2 4.13Å; I172-Y174 HydrophobicContact CG2-CD2 4.32Å; I172-Y174 HydrophobicContact CG2-CE1 3.99Å; I172-Y174 HydrophobicContact CG2-CE2 3.76Å; Y174-T216 HydrophobicContact CE1-CG2 3.75Å; Y174-T216 VanDerWaalsContact OH-CG2 3.28Å; Y174-T216 WeakPolarHBondContact OH-CG2 3.27Å; Y174-L218 HydrophobicContact CD1-CD1 3.45Å; Y174-L218 VanDerWaalsContact CD1-CD1 3.45Å; Y174-L218 HydrophobicContact CD2-CD1 3.98Å; Y174-L218 HydrophobicContact CE1-CD1 3.79Å; Y174-L218 HydrophobicContact CE2-CD1 4.27Å; Y174-L218 HydrophobicContact CG-CD1 3.56Å; Y174-H223 HydrophobicContact CE1-CB 3.93Å; Y174-H223 AromaticContact CE1-CD2 3.97Å; Y174-H223 AromaticContact CE1-CG 3.79Å; Y174-T278 HydrophobicContact CD2-CG2 4.07Å; Y174-T278 PolarHBondContact N-O 3.02Å; Y174-L280 HydrophobicContact CE2-CB 3.76Å
175	G	68.3	Low	66.8	Low	26 Å²	26	46.7 Å²	46.7	27%	0.268	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.2	-156.9	-179	0	0	0	0	0	113	N173 N177	N173-G175 VanDerWaalsContact C-N 3.31Å; N173-G175 WeakPolarHBondContact OD1-CA 3.44Å; N173-G175 PolarHBondContact OD1-N 2.83Å; G175-N177 PolarHBondContact O-N 2.93Å; G175-N177 VanDerWaalsContact O-N 3.13Å
176	N	60.2	Low	65	Low	70 Å²	70	48.6 Å²	48.6	37%	0.374	25%	0.254	S	S	.	.			trans	-78	92.1	173.7	-64.7	-1	0	0	0	109	E275 G276	N176-E275 WeakPolarHBondContact ND2-CB 3.22Å; N176-E275 PolarHBondContact ND2-OE2 3.22Å; N176-G276 PolarHBondContact OD1-O 3.08Å
177	N	55.1	Low	63.3	Low	19 Å²	19	45.3 Å²	45.3	10%	0.102	23%	0.229	C	C	.	.			trans	-88.2	131.8	164.9	-85.8	-27.1	0	0	0	108.8	G175 V179 F180 D181	G175-N177 PolarHBondContact O-N 2.93Å; G175-N177 VanDerWaalsContact O-N 3.13Å; N177-V179 PolarHBondContact O-N 2.95Å; N177-V179 VanDerWaalsContact O-N 3.13Å; N177-F180 HydrophobicContact CB-CB 4.25Å; N177-F180 HydrophobicContact CB-CD2 3.43Å; N177-F180 VanDerWaalsContact CB-CD2 3.43Å; N177-F180 HydrophobicContact CB-CE2 4.17Å; N177-F180 HydrophobicContact CB-CG 4.29Å; N177-F180 WeakPolarHBondContact O-CA 3.37Å; N177-F180 WeakPolarHBondContact O-CB 3.26Å; N177-F180 PolarHBondContact O-N 3.44Å; N177-D181 PolarHBondContact O-N 2.97Å
178	K	48.5	Very low	61.3	Low	188 Å²	188	43.1 Å²	43.1	82%	0.817	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.5	-173.3	-69.6	-178.3	-179.4	177	0	112.4	D219	K178-D219 PolarHBondContact N-OD2 3.28Å
179	V	44.6	Very low	59.5	Low	34 Å²	34	44.1 Å²	44.1	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-31.8	172.7	-178.6	0	0	0	0	111.3	N177 K182 F183 D219	N177-V179 PolarHBondContact O-N 2.95Å; N177-V179 VanDerWaalsContact O-N 3.13Å; V179-K182 CarbonylContact O-C 3.54Å; V179-K182 WeakPolarHBondContact O-CA 3.36Å; V179-K182 PolarHBondContact O-N 3.24Å; V179-K182 VanDerWaalsContact O-N 3.09Å; V179-F183 HydrophobicContact CB-CE2 4.36Å; V179-F183 HydrophobicContact CG1-CD2 4.14Å; V179-F183 HydrophobicContact CG1-CE2 3.77Å; V179-F183 WeakPolarHBondContact O-CD2 3.45Å; V179-F183 PolarHBondContact O-N 3.43Å; V179-D219 WeakPolarHBondContact CB-OD1 3.45Å; V179-D219 HydrophobicContact CG2-CB 4.3Å; V179-D219 WeakPolarHBondContact CG2-OD1 3.19Å; V179-D219 PolarHBondContact N-OD2 3.23Å
180	F	40.4	Very low	57.7	Low	1 Å²	1	42 Å²	42	0%	0.004	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-74.3	-30.4	-175.9	-80.9	-90.1	0	0	0	115.8	N177 K182 F183 L218 L242 H244 T278	N177-F180 HydrophobicContact CB-CB 4.25Å; N177-F180 HydrophobicContact CB-CD2 3.43Å; N177-F180 VanDerWaalsContact CB-CD2 3.43Å; N177-F180 HydrophobicContact CB-CE2 4.17Å; N177-F180 HydrophobicContact CB-CG 4.29Å; N177-F180 WeakPolarHBondContact O-CA 3.37Å; N177-F180 WeakPolarHBondContact O-CB 3.26Å; N177-F180 PolarHBondContact O-N 3.44Å; F180-K182 PolarHBondContact O-N 2.78Å; F180-F183 HydrophobicContact CB-CD2 3.97Å; F180-F183 HydrophobicContact CB-CE2 4.24Å; F180-F183 HydrophobicContact CB-CG 4.49Å; F180-F183 HydrophobicContact CD1-CB 3.96Å; F180-F183 AromaticContact CD1-CD1 3.44Å; F180-F183 HydrophobicContact CD1-CD1 3.44Å; F180-F183 VanDerWaalsContact CD1-CD1 3.44Å; F180-F183 AromaticContact CD1-CD2 3.24Å; F180-F183 HydrophobicContact CD1-CD2 3.24Å; F180-F183 AromaticContact CD1-CE1 3.47Å; F180-F183 HydrophobicContact CD1-CE1 3.47Å; F180-F183 VanDerWaalsContact CD1-CE1 3.47Å; F180-F183 AromaticContact CD1-CE2 3.23Å; F180-F183 HydrophobicContact CD1-CE2 3.23Å; F180-F183 AromaticContact CD1-CG 3.27Å; F180-F183 HydrophobicContact CD1-CG 3.27Å; F180-F183 AromaticContact CD1-CZ 3.34Å; F180-F183 HydrophobicContact CD1-CZ 3.34Å; F180-F183 HydrophobicContact CD2-CD2 4Å; F180-F183 AromaticContact CD2-CE2 3.39Å; F180-F183 HydrophobicContact CD2-CE2 3.39Å; F180-F183 AromaticContact CD2-CZ 3.81Å; F180-F183 HydrophobicContact CD2-CZ 3.81Å; F180-F183 AromaticContact CE1-CD1 3.36Å; F180-F183 HydrophobicContact CE1-CD1 3.36Å; F180-F183 AromaticContact CE1-CD2 3.78Å; F180-F183 HydrophobicContact CE1-CD2 3.78Å; F180-F183 AromaticContact CE1-CE1 2.93Å; F180-F183 HydrophobicContact CE1-CE1 2.93Å; F180-F183 AromaticContact CE1-CE2 3.35Å; F180-F183 HydrophobicContact CE1-CE2 3.35Å; F180-F183 AromaticContact CE1-CG 3.72Å; F180-F183 HydrophobicContact CE1-CG 3.72Å; F180-F183 AromaticContact CE1-CZ 2.89Å; F180-F183 HydrophobicContact CE1-CZ 2.89Å; F180-F183 HydrophobicContact CE2-CD2 4.44Å; F180-F183 HydrophobicContact CE2-CE1 4.31Å; F180-F183 AromaticContact CE2-CE2 3.5Å; F180-F183 HydrophobicContact CE2-CE2 3.5Å; F180-F183 VanDerWaalsContact CE2-CE2 3.5Å; F180-F183 AromaticContact CE2-CZ 3.41Å; F180-F183 HydrophobicContact CE2-CZ 3.41Å; F180-F183 VanDerWaalsContact CE2-CZ 3.41Å; F180-F183 HydrophobicContact CG-CD1 4.45Å; F180-F183 AromaticContact CG-CD2 3.45Å; F180-F183 HydrophobicContact CG-CD2 3.45Å; F180-F183 VanDerWaalsContact CG-CD2 3.45Å; F180-F183 HydrophobicContact CG-CE1 4.39Å; F180-F183 AromaticContact CG-CE2 3.32Å; F180-F183 HydrophobicContact CG-CE2 3.32Å; F180-F183 AromaticContact CG-CG 3.96Å; F180-F183 HydrophobicContact CG-CG 3.96Å; F180-F183 AromaticContact CG-CZ 3.83Å; F180-F183 HydrophobicContact CG-CZ 3.83Å; F180-F183 HydrophobicContact CZ-CD1 4.28Å; F180-F183 HydrophobicContact CZ-CD2 4.36Å; F180-F183 AromaticContact CZ-CE1 3.45Å; F180-F183 HydrophobicContact CZ-CE1 3.45Å; F180-F183 VanDerWaalsContact CZ-CE1 3.45Å; F180-F183 AromaticContact CZ-CE2 3.5Å; F180-F183 HydrophobicContact CZ-CE2 3.5Å; F180-F183 VanDerWaalsContact CZ-CE2 3.5Å; F180-F183 AromaticContact CZ-CZ 2.94Å; F180-F183 HydrophobicContact CZ-CZ 2.94Å; F180-F183 PolarHBondContact O-N 3.27Å; F180-L218 HydrophobicContact CE2-CB 4.15Å; F180-L218 HydrophobicContact CE2-CD1 3.72Å; F180-L218 HydrophobicContact CE2-CD2 3.51Å; F180-L218 HydrophobicContact CE2-CG 3.96Å; F180-L218 HydrophobicContact CZ-CD1 3.99Å; F180-L218 HydrophobicContact CZ-CD2 3.51Å; F180-L218 HydrophobicContact CZ-CG 4.29Å; F180-L242 HydrophobicContact CE1-CD2 4.12Å; F180-L242 HydrophobicContact CZ-CD2 4.4Å; F180-H244 PolarHBondContact O-CE1 3.46Å; F180-H244 PolarHBondContact O-NE2 2.86Å; F180-T278 WeakPolarHBondContact CB-OG1 3.43Å; F180-T278 HydrophobicContact CD1-CG2 3.49Å; F180-T278 VanDerWaalsContact CD1-CG2 3.49Å; F180-T278 WeakPolarHBondContact CD1-OG1 3.39Å; F180-T278 HydrophobicContact CD2-CG2 4.31Å; F180-T278 HydrophobicContact CE1-CG2 3.03Å; F180-T278 WeakPolarHBondContact CE1-OG1 3.42Å; F180-T278 HydrophobicContact CE2-CG2 3.96Å; F180-T278 HydrophobicContact CG-CG2 4.06Å; F180-T278 WeakPolarHBondContact CG-OG1 3.45Å; F180-T278 HydrophobicContact CZ-CG2 3.29Å
181	D	41.4	Very low	56.3	Low	73 Å²	73	43.6 Å²	43.6	39%	0.39	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.5	-9.7	167.2	-72.5	-31.3	0	0	0	112.3	N177 G276	N177-D181 PolarHBondContact O-N 2.97Å; D181-G276 PolarHBondContact OD1-N 2.79Å
182	K	41.2	Very low	55.6	Low	72 Å²	72	43.3 Å²	43.3	31%	0.313	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-123.2	14.8	172.6	-60.5	-172.2	-180	-174.8	0	114.6	V179 F180 C184 Y474 N476	V179-K182 CarbonylContact O-C 3.54Å; V179-K182 WeakPolarHBondContact O-CA 3.36Å; V179-K182 PolarHBondContact O-N 3.24Å; V179-K182 VanDerWaalsContact O-N 3.09Å; F180-K182 PolarHBondContact O-N 2.78Å; K182-C184 VanDerWaalsContact C-N 3.28Å; K182-C184 PolarHBondContact O-N 2.83Å; K182-Y474 HydrophobicContact CD-CD1 4.34Å; K182-Y474 HydrophobicContact CD-CE1 4.03Å; K182-Y474 HydrophobicContact CD-CE2 4.47Å; K182-Y474 HydrophobicContact CG-CE2 4.41Å; K182-N476 PolarHBondContact NZ-OD1 3.27Å
183	F	39.3	Very low	54.9	Low	27 Å²	27	43.1 Å²	43.1	12%	0.118	23%	0.226	C	C	.	.			trans	-65.8	91.9	170.7	-98.1	-125.7	0	0	0	108.7	V179 F180 D188 L242	V179-F183 HydrophobicContact CB-CE2 4.36Å; V179-F183 HydrophobicContact CG1-CD2 4.14Å; V179-F183 HydrophobicContact CG1-CE2 3.77Å; V179-F183 WeakPolarHBondContact O-CD2 3.45Å; V179-F183 PolarHBondContact O-N 3.43Å; F180-F183 HydrophobicContact CB-CD2 3.97Å; F180-F183 HydrophobicContact CB-CE2 4.24Å; F180-F183 HydrophobicContact CB-CG 4.49Å; F180-F183 HydrophobicContact CD1-CB 3.96Å; F180-F183 AromaticContact CD1-CD1 3.44Å; F180-F183 HydrophobicContact CD1-CD1 3.44Å; F180-F183 VanDerWaalsContact CD1-CD1 3.44Å; F180-F183 AromaticContact CD1-CD2 3.24Å; F180-F183 HydrophobicContact CD1-CD2 3.24Å; F180-F183 AromaticContact CD1-CE1 3.47Å; F180-F183 HydrophobicContact CD1-CE1 3.47Å; F180-F183 VanDerWaalsContact CD1-CE1 3.47Å; F180-F183 AromaticContact CD1-CE2 3.23Å; F180-F183 HydrophobicContact CD1-CE2 3.23Å; F180-F183 AromaticContact CD1-CG 3.27Å; F180-F183 HydrophobicContact CD1-CG 3.27Å; F180-F183 AromaticContact CD1-CZ 3.34Å; F180-F183 HydrophobicContact CD1-CZ 3.34Å; F180-F183 HydrophobicContact CD2-CD2 4Å; F180-F183 AromaticContact CD2-CE2 3.39Å; F180-F183 HydrophobicContact CD2-CE2 3.39Å; F180-F183 AromaticContact CD2-CZ 3.81Å; F180-F183 HydrophobicContact CD2-CZ 3.81Å; F180-F183 AromaticContact CE1-CD1 3.36Å; F180-F183 HydrophobicContact CE1-CD1 3.36Å; F180-F183 AromaticContact CE1-CD2 3.78Å; F180-F183 HydrophobicContact CE1-CD2 3.78Å; F180-F183 AromaticContact CE1-CE1 2.93Å; F180-F183 HydrophobicContact CE1-CE1 2.93Å; F180-F183 AromaticContact CE1-CE2 3.35Å; F180-F183 HydrophobicContact CE1-CE2 3.35Å; F180-F183 AromaticContact CE1-CG 3.72Å; F180-F183 HydrophobicContact CE1-CG 3.72Å; F180-F183 AromaticContact CE1-CZ 2.89Å; F180-F183 HydrophobicContact CE1-CZ 2.89Å; F180-F183 HydrophobicContact CE2-CD2 4.44Å; F180-F183 HydrophobicContact CE2-CE1 4.31Å; F180-F183 AromaticContact CE2-CE2 3.5Å; F180-F183 HydrophobicContact CE2-CE2 3.5Å; F180-F183 VanDerWaalsContact CE2-CE2 3.5Å; F180-F183 AromaticContact CE2-CZ 3.41Å; F180-F183 HydrophobicContact CE2-CZ 3.41Å; F180-F183 VanDerWaalsContact CE2-CZ 3.41Å; F180-F183 HydrophobicContact CG-CD1 4.45Å; F180-F183 AromaticContact CG-CD2 3.45Å; F180-F183 HydrophobicContact CG-CD2 3.45Å; F180-F183 VanDerWaalsContact CG-CD2 3.45Å; F180-F183 HydrophobicContact CG-CE1 4.39Å; F180-F183 AromaticContact CG-CE2 3.32Å; F180-F183 HydrophobicContact CG-CE2 3.32Å; F180-F183 AromaticContact CG-CG 3.96Å; F180-F183 HydrophobicContact CG-CG 3.96Å; F180-F183 AromaticContact CG-CZ 3.83Å; F180-F183 HydrophobicContact CG-CZ 3.83Å; F180-F183 HydrophobicContact CZ-CD1 4.28Å; F180-F183 HydrophobicContact CZ-CD2 4.36Å; F180-F183 AromaticContact CZ-CE1 3.45Å; F180-F183 HydrophobicContact CZ-CE1 3.45Å; F180-F183 VanDerWaalsContact CZ-CE1 3.45Å; F180-F183 AromaticContact CZ-CE2 3.5Å; F180-F183 HydrophobicContact CZ-CE2 3.5Å; F180-F183 VanDerWaalsContact CZ-CE2 3.5Å; F180-F183 AromaticContact CZ-CZ 2.94Å; F180-F183 HydrophobicContact CZ-CZ 2.94Å; F180-F183 PolarHBondContact O-N 3.27Å; F183-D188 HydrophobicContact CD1-CB 3.64Å; F183-D188 HydrophobicContact CD2-CB 4.18Å; F183-D188 WeakPolarHBondContact CD2-OD2 3.43Å; F183-D188 HydrophobicContact CE1-CB 2.98Å; F183-D188 HydrophobicContact CE2-CB 3.69Å; F183-D188 HydrophobicContact CG-CB 4.24Å; F183-D188 HydrophobicContact CZ-CB 3.05Å; F183-L242 HydrophobicContact CE1-CD2 3.9Å
184	C	42.9	Very low	54.7	Low	65 Å²	65	40.6 Å²	40.6	44%	0.439	21%	0.213	S	C	.	.			trans	-104.5	2.4	169.9	-70.6	0	0	0	0	112	K182	K182-C184 VanDerWaalsContact C-N 3.28Å; K182-C184 PolarHBondContact O-N 2.83Å
185	N	44.8	Very low	54.9	Low	39 Å²	39	40 Å²	40	21%	0.209	21%	0.211	C	C	.	.	S	Bend	trans	-146.3	151.6	-167.9	-59.5	-67.8	0	0	0	116.7	L187 I473 Y503 R509	N185-L187 PolarHBondContact O-N 3.4Å; N185-L187 VanDerWaalsContact O-N 3.11Å; N185-I473 WeakPolarHBondContact ND2-CG2 3.25Å; N185-Y503 HydrophobicContact CB-CE2 4.21Å; N185-Y503 WeakPolarHBondContact CB-OH 3.49Å; N185-Y503 PolarHBondContact ND2-OH 2.98Å; N185-Y503 PolarHBondContact OD1-OH 3.45Å; N185-R509 PolarHBondContact OD1-NE 3.43Å
186	E	47.5	Very low	55.5	Low	111 Å²	111	39.8 Å²	39.8	52%	0.519	20%	0.202	S	C	.	.	H	α-helix	trans	-53.2	-27.7	177.4	-67.5	167.6	147.7	0	0	114.1	D188 G189 L190	E186-D188 VanDerWaalsContact C-N 3.28Å; E186-D188 PolarHBondContact O-N 3.39Å; E186-G189 PolarHBondContact O-N 3.43Å; E186-G189 VanDerWaalsContact O-N 3.12Å; E186-L190 WeakPolarHBondContact O-CG 3.47Å; E186-L190 PolarHBondContact O-N 3.09Å
187	L	48.5	Very low	56.5	Low	15 Å²	15	40.6 Å²	40.6	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-51.2	-41	-178.1	-91.6	179.6	0	0	0	114.9	N185 L190 I384 I469 I473 Y503	N185-L187 PolarHBondContact O-N 3.4Å; N185-L187 VanDerWaalsContact O-N 3.11Å; L187-L190 HydrophobicContact CD2-CD1 3.9Å; L187-L190 VanDerWaalsContact O-CB 3.3Å; L187-L190 WeakPolarHBondContact O-CB 3.23Å; L187-L190 VanDerWaalsContact O-CG 3.25Å; L187-L190 WeakPolarHBondContact O-CG 3.43Å; L187-L190 PolarHBondContact O-N 2.97Å; L187-I384 HydrophobicContact CD2-CB 3.61Å; L187-I384 HydrophobicContact CD2-CD1 3.43Å; L187-I384 VanDerWaalsContact CD2-CD1 3.43Å; L187-I384 HydrophobicContact CD2-CG1 3.54Å; L187-I384 HydrophobicContact CD2-CG2 4.42Å; L187-I384 HydrophobicContact CG-CD1 4.45Å; L187-I469 HydrophobicContact CD1-CD1 3.87Å; L187-I473 HydrophobicContact CD1-CD1 4.18Å; L187-Y503 HydrophobicContact CB-CE2 4.39Å; L187-Y503 HydrophobicContact CD1-CD1 3.96Å; L187-Y503 HydrophobicContact CD1-CD2 4.32Å; L187-Y503 HydrophobicContact CD1-CE1 3.4Å; L187-Y503 HydrophobicContact CD1-CE2 3.78Å; L187-Y503 HydrophobicContact CD1-CG 4.39Å; L187-Y503 WeakPolarHBondContact CD1-OH 3.38Å; L187-Y503 HydrophobicContact CG-CD1 4.44Å; L187-Y503 HydrophobicContact CG-CD2 3.95Å; L187-Y503 HydrophobicContact CG-CE1 4.08Å; L187-Y503 HydrophobicContact CG-CE2 3.52Å; L187-Y503 HydrophobicContact CG-CG 4.38Å
188	D	49.4	Very low	57.6	Low	27 Å²	27	44.4 Å²	44.4	14%	0.144	23%	0.225	C	C	.	.	H	α-helix	trans	-85.4	-22.7	-173.9	-64.7	-39.9	0	0	0	111.7	F183 E186 L190 R191	F183-D188 HydrophobicContact CD1-CB 3.64Å; F183-D188 HydrophobicContact CD2-CB 4.18Å; F183-D188 WeakPolarHBondContact CD2-OD2 3.43Å; F183-D188 HydrophobicContact CE1-CB 2.98Å; F183-D188 HydrophobicContact CE2-CB 3.69Å; F183-D188 HydrophobicContact CG-CB 4.24Å; F183-D188 HydrophobicContact CZ-CB 3.05Å; E186-D188 VanDerWaalsContact C-N 3.28Å; E186-D188 PolarHBondContact O-N 3.39Å; D188-L190 PolarHBondContact O-N 3.33Å; D188-R191 PolarHBondContact O-N 2.88Å
189	G	52.8	Low	58.6	Low	22 Å²	22	37.2 Å²	37.2	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-18.1	167	0	0	0	0	0	113	E186 R191	E186-G189 PolarHBondContact O-N 3.43Å; E186-G189 VanDerWaalsContact O-N 3.12Å; G189-R191 PolarHBondContact O-N 3.49Å
190	L	54.5	Low	59.2	Low	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.8	179.2	-46.4	176.9	0	0	0	113.5	E186 L187 D188 I192 N381 P383 I384	E186-L190 WeakPolarHBondContact O-CG 3.47Å; E186-L190 PolarHBondContact O-N 3.09Å; L187-L190 HydrophobicContact CD2-CD1 3.9Å; L187-L190 VanDerWaalsContact O-CB 3.3Å; L187-L190 WeakPolarHBondContact O-CB 3.23Å; L187-L190 VanDerWaalsContact O-CG 3.25Å; L187-L190 WeakPolarHBondContact O-CG 3.43Å; L187-L190 PolarHBondContact O-N 2.97Å; D188-L190 PolarHBondContact O-N 3.33Å; L190-I192 VanDerWaalsContact C-N 3.31Å; L190-I192 PolarHBondContact O-N 3Å; L190-N381 HydrophobicContact CD2-CB 4.27Å; L190-N381 WeakPolarHBondContact CD2-ND2 3.5Å; L190-N381 VanDerWaalsContact CD2-OD1 3.25Å; L190-N381 WeakPolarHBondContact CD2-OD1 3.37Å; L190-P383 HydrophobicContact CB-CB 4.19Å; L190-P383 WeakPolarHBondContact O-CG 3.05Å; L190-I384 HydrophobicContact CD1-CB 4.42Å; L190-I384 HydrophobicContact CD1-CG1 3.77Å
191	R	64.7	Low	59.8	Low	34 Å²	34	53 Å²	53	13%	0.128	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	20.2	-174.2	-65.4	-172.4	-177.5	-103.7	-4.4	114.5	L140 D188 G189 T216 V217 P383 Y386 F464 S466	L140-R191 WeakPolarHBondContact CD2-O 3.35Å; D188-R191 PolarHBondContact O-N 2.88Å; G189-R191 PolarHBondContact O-N 3.49Å; R191-T216 WeakPolarHBondContact O-CA 3.37Å; R191-T216 PolarHBondContact O-OG1 3.14Å; R191-V217 WeakPolarHBondContact CD-O 3.5Å; R191-P383 HydrophobicContact CG-CG 4.44Å; R191-Y386 PolarHBondContact NH1-OH 3.2Å; R191-F464 PolarHBondContact NH2-O 3.4Å; R191-F464 VanDerWaalsContact NH2-O 3.14Å; R191-S466 PolarHBondContact NH2-OG 3.48Å
192	I	73.5	Confident	60.1	Low	10 Å²	10	51.8 Å²	51.8	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.8	-179.1	-57.5	159.2	0	0	0	110.5	L190 R215 L240 L242 L280	L190-I192 VanDerWaalsContact C-N 3.31Å; L190-I192 PolarHBondContact O-N 3Å; I192-R215 WeakPolarHBondContact CA-O 3.08Å; I192-L240 HydrophobicContact CG2-CD1 4.49Å; I192-L240 HydrophobicContact CG2-CD2 3.86Å; I192-L242 HydrophobicContact CD1-CB 3.77Å; I192-L242 HydrophobicContact CD1-CD1 4.14Å; I192-L242 HydrophobicContact CD1-CD2 3.92Å; I192-L242 HydrophobicContact CD1-CG 4.15Å; I192-L280 HydrophobicContact CD1-CD1 3.68Å; I192-L280 HydrophobicContact CG2-CD1 4.33Å; I192-L280 HydrophobicContact CG2-CD2 4.06Å
193	L	74.1	Confident	60.2	Low	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	170.2	168.6	62.6	0	0	0	109.7	L140 T195 R215 V378 I380 L459	L140-L193 HydrophobicContact CB-CB 4.07Å; L140-L193 HydrophobicContact CB-CD2 3.84Å; L140-L193 HydrophobicContact CD1-CB 3.99Å; L140-L193 HydrophobicContact CD2-CB 4.41Å; L140-L193 HydrophobicContact CG-CB 4.38Å; L140-L193 VanDerWaalsContact O-CD2 3.24Å; L140-L193 WeakPolarHBondContact O-CD2 3.19Å; L193-T195 HydrophobicContact CD1-CG2 3.81Å; L193-T195 HydrophobicContact CD2-CG2 4.44Å; L193-T195 HydrophobicContact CG-CG2 4.1Å; L193-R215 HydrophobicContact CB-CB 4.31Å; L193-R215 PolarHBondContact N-O 2.88Å; L193-R215 PolarHBondContact O-N 2.81Å; L193-V378 HydrophobicContact CD1-CG2 4.01Å; L193-I380 HydrophobicContact CD1-CB 4.37Å; L193-I380 HydrophobicContact CD1-CD1 3.54Å; L193-I380 HydrophobicContact CD1-CG1 3.47Å; L193-I380 VanDerWaalsContact CD1-CG1 3.47Å; L193-I380 HydrophobicContact CD1-CG2 4.32Å; L193-L459 HydrophobicContact CD1-CD2 3.84Å; L193-L459 HydrophobicContact CD2-CD1 3.98Å; L193-L459 HydrophobicContact CD2-CD2 3.81Å
194	C	79.8	Confident	60.6	Low	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.3	171.5	-169.4	0	0	0	0	110.6	L212 M213 L214 L237 L240 T379	C194-L212 WeakPolarHBondContact SG-CD1 3.47Å; C194-M213 WeakPolarHBondContact CA-O 3.28Å; C194-L214 HydrophobicContact CB-CD2 3.84Å; C194-L214 WeakPolarHBondContact SG-CD2 3.43Å; C194-L237 HydrophobicContact CB-CD2 4.4Å; C194-L237 WeakPolarHBondContact SG-CD2 3.45Å; C194-L240 HydrophobicContact CB-CD1 4.34Å; C194-L240 HydrophobicContact CB-CD2 3.7Å; C194-T379 PolarHBondContact N-O 3.07Å; C194-T379 PolarHBondContact O-N 3.41Å
195	T	80.6	Confident	60.8	Low	6 Å²	6	67.3 Å²	67.3	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.3	177.9	59.5	0	0	0	0	110.7	L193 M213 R215 E377 V378	L193-T195 HydrophobicContact CD1-CG2 3.81Å; L193-T195 HydrophobicContact CD2-CG2 4.44Å; L193-T195 HydrophobicContact CG-CG2 4.1Å; T195-M213 PolarHBondContact N-O 3.41Å; T195-M213 PolarHBondContact O-N 2.87Å; T195-R215 PolarHBondContact OG1-NH1 3.43Å; T195-E377 WeakPolarHBondContact CA-O 3.45Å; T195-V378 HydrophobicContact CG2-CG2 3.93Å
196	W	82	Confident	61.2	Low	21 Å²	21	72.3 Å²	72.3	8%	0.08	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.1	173	174.9	-110.1	0	0	0	110	G210 V211 L212 L229 P235 L237 E377	W196-G210 WeakPolarHBondContact CZ3-O 3.42Å; W196-V211 WeakPolarHBondContact CA-O 3.22Å; W196-L212 HydrophobicContact CE3-CB 3.92Å; W196-L212 HydrophobicContact CZ3-CB 4.05Å; W196-L229 HydrophobicContact CE3-CD1 4.37Å; W196-L229 HydrophobicContact CH2-CB 4.05Å; W196-L229 HydrophobicContact CH2-CD1 3.86Å; W196-L229 HydrophobicContact CH2-CG 4.19Å; W196-L229 HydrophobicContact CZ3-CB 4.1Å; W196-L229 HydrophobicContact CZ3-CD1 3.49Å; W196-L229 VanDerWaalsContact CZ3-CD1 3.49Å; W196-L229 HydrophobicContact CZ3-CG 3.77Å; W196-P235 HydrophobicContact CB-CG 3.92Å; W196-P235 VanDerWaalsContact CD2-CD 3.48Å; W196-P235 HydrophobicContact CD2-CG 3.42Å; W196-P235 VanDerWaalsContact CD2-CG 3.42Å; W196-P235 HydrophobicContact CE3-CG 3.43Å; W196-P235 VanDerWaalsContact CE3-CG 3.43Å; W196-P235 HydrophobicContact CG-CG 3.66Å; W196-P235 HydrophobicContact CZ3-CG 4.07Å; W196-L237 HydrophobicContact CB-CD1 4.35Å; W196-L237 HydrophobicContact CB-CD2 4.45Å; W196-E377 PolarHBondContact N-O 2.86Å
197	T	80.2	Confident	61.5	Low	86 Å²	86	68.8 Å²	68.8	53%	0.528	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.5	178.3	-48.7	0	0	0	0	109.7	G210 V211	T197-G210 CarbonylContact O-C 3.52Å; T197-G210 VanDerWaalsContact O-CA 3.26Å; T197-G210 WeakPolarHBondContact O-CA 3.01Å; T197-V211 PolarHBondContact N-O 2.95Å; T197-V211 PolarHBondContact O-N 3.4Å
198	K	78.5	Confident	62	Low	99 Å²	99	68.9 Å²	68.9	43%	0.43	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.3	175.2	-164.6	-176.5	-179.3	-168.5	0	109.6	E200 S208	K198-E200 PolarHBondContact O-N 3.48Å; K198-S208 WeakPolarHBondContact CE-OG 3.33Å; K198-S208 VanDerWaalsContact CG-OG 3.31Å; K198-S208 WeakPolarHBondContact CG-OG 3.47Å
199	C	69.6	Low	63.3	Low	38 Å²	38	68.5 Å²	68.5	26%	0.257	34%	0.339	S	S	.	.			trans	-73.1	118.5	172	-81.5	0	0	0	0	110.4	Q201 D202 S209	C199-Q201 PolarHBondContact O-N 3.12Å; C199-D202 PolarHBondContact O-N 2.88Å; C199-S209 WeakPolarHBondContact CB-O 3.48Å; C199-S209 PolarHBondContact N-O 3.09Å; C199-S209 VanDerWaalsContact N-O 3.08Å
200	E	58.3	Low	64.8	Low	171 Å²	171	67.5 Å²	67.5	80%	0.799	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-59.8	-30.3	-177.9	-67.8	177.8	171.5	0	0	113.6	K198 D202 E203	K198-E200 PolarHBondContact O-N 3.48Å; E200-D202 PolarHBondContact O-N 2.94Å; E200-D202 VanDerWaalsContact O-N 3.08Å; E200-E203 PolarHBondContact O-N 3.19Å
201	Q	51.7	Low	66.2	Low	194 Å²	194	68.3 Å²	68.3	91%	0.907	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66.5	-12.8	-177.4	-68.6	-175.1	-13.8	0	0	114	C199	C199-Q201 PolarHBondContact O-N 3.12Å
202	D	47.7	Very low	67.3	Low	48 Å²	48	66.7 Å²	66.7	26%	0.257	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-112.3	16.5	-174.1	-74.9	-28.7	0	0	0	113.5	C199 E200 K204 Q205	C199-D202 PolarHBondContact O-N 2.88Å; E200-D202 PolarHBondContact O-N 2.94Å; E200-D202 VanDerWaalsContact O-N 3.08Å; D202-K204 PolarHBondContact O-N 3.34Å; D202-Q205 PolarHBondContact O-N 3.43Å; D202-Q205 VanDerWaalsContact O-O 3.11Å
203	E	44.3	Very low	67.8	Low	152 Å²	152	67.3 Å²	67.3	71%	0.71	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.4	-178.8	-78.4	-161.5	158.2	0	0	114.3	E200 Q205	E200-E203 PolarHBondContact O-N 3.19Å; E203-Q205 VanDerWaalsContact C-N 3.34Å
204	K	48.1	Very low	68.3	Low	214 Å²	214	67.5 Å²	67.5	93%	0.93	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.2	176.1	-66.5	-175.1	179.6	179.1	0	114.2	D202	D202-K204 PolarHBondContact O-N 3.34Å
205	Q	47	Very low	68.3	Low	125 Å²	125	67.8 Å²	67.8	58%	0.584	33%	0.333	S	S	*	.	S	Bend	trans	-106	124.6	175.9	-63	-158.3	8.3	0	0	110.2	D202 E203 N207 S208	D202-Q205 PolarHBondContact O-N 3.43Å; D202-Q205 VanDerWaalsContact O-O 3.11Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; Q205-N207 PolarHBondContact O-N 3.25Å; Q205-N207 VanDerWaalsContact O-N 3.12Å; Q205-S208 PolarHBondContact O-N 3.21Å
206	I	51.8	Low	68.1	Low	144 Å²	144	67.6 Å²	67.6	74%	0.738	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30	178.7	-64.7	169.4	0	0	0	111.2
207	N	55	Low	67.4	Low	37 Å²	37	67 Å²	67	20%	0.198	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	62.7	178.5	-64.1	-17.7	0	0	0	110.5	Q205 P231	Q205-N207 PolarHBondContact O-N 3.25Å; Q205-N207 VanDerWaalsContact O-N 3.12Å; N207-P231 HydrophobicContact CB-CB 4.17Å; N207-P231 WeakPolarHBondContact O-CB 3.19Å
208	S	57.9	Low	66.7	Low	16 Å²	16	63.2 Å²	63.2	11%	0.112	31%	0.307	C	S	.	.			trans	-71	140.7	169.4	60.1	0	0	0	0	110.7	K198 Q205	K198-S208 WeakPolarHBondContact CE-OG 3.33Å; K198-S208 VanDerWaalsContact CG-OG 3.31Å; K198-S208 WeakPolarHBondContact CG-OG 3.47Å; Q205-S208 PolarHBondContact O-N 3.21Å
209	S	76.8	Confident	65.9	Low	20 Å²	20	60.5 Å²	60.5	14%	0.14	30%	0.297	C	S	.	.			trans	-66.7	159.9	168.4	70.5	0	0	0	0	111.4	C199	C199-S209 WeakPolarHBondContact CB-O 3.48Å; C199-S209 PolarHBondContact N-O 3.09Å; C199-S209 VanDerWaalsContact N-O 3.08Å
210	G	84.8	Confident	65.4	Low	1 Å²	1	63.8 Å²	63.8	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	169	174.7	0	0	0	0	0	111.8	W196 T197 R228 L229	W196-G210 WeakPolarHBondContact CZ3-O 3.42Å; T197-G210 CarbonylContact O-C 3.52Å; T197-G210 VanDerWaalsContact O-CA 3.26Å; T197-G210 WeakPolarHBondContact O-CA 3.01Å; G210-R228 CarbonylContact O-C 3.51Å; G210-R228 WeakPolarHBondContact O-CA 3.46Å; G210-L229 PolarHBondContact O-N 3.09Å
211	V	84.6	Confident	65.6	Low	19 Å²	19	56 Å²	56	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.4	-178.1	-178.1	0	0	0	0	109.9	W196 T197 K226 L227 L331	W196-V211 WeakPolarHBondContact CA-O 3.22Å; T197-V211 PolarHBondContact N-O 2.95Å; T197-V211 PolarHBondContact O-N 3.4Å; V211-K226 HydrophobicContact CG1-CD 4.26Å; V211-K226 HydrophobicContact CG1-CG 3.66Å; V211-L227 CarbonylContact C-O 3.42Å; V211-L227 WeakPolarHBondContact CA-O 3.44Å; V211-L331 HydrophobicContact CG1-CD1 4.07Å; V211-L331 HydrophobicContact CG2-CD1 4Å
212	L	88.1	Confident	66.5	Low	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.8	167.5	176.4	64.4	0	0	0	108.6	L170 C194 W196 L214 K226 L227 L229 P235 L237 I282 L284	L170-L212 HydrophobicContact CD2-CD2 3.99Å; C194-L212 WeakPolarHBondContact SG-CD1 3.47Å; W196-L212 HydrophobicContact CE3-CB 3.92Å; W196-L212 HydrophobicContact CZ3-CB 4.05Å; L212-L214 HydrophobicContact CD2-CD1 4.27Å; L212-L214 HydrophobicContact CG-CG 4.46Å; L212-K226 CarbonylContact O-C 3.56Å; L212-K226 WeakPolarHBondContact O-CA 3.47Å; L212-L227 PolarHBondContact N-O 3.03Å; L212-L227 PolarHBondContact O-N 2.95Å; L212-L229 HydrophobicContact CB-CD1 4.14Å; L212-L229 HydrophobicContact CB-CD2 4.49Å; L212-L229 HydrophobicContact CB-CG 4.13Å; L212-L229 HydrophobicContact CD2-CD1 4.39Å; L212-P235 HydrophobicContact CD1-CB 3.97Å; L212-P235 HydrophobicContact CD1-CG 4.12Å; L212-L237 HydrophobicContact CD1-CD2 4.39Å; L212-I282 HydrophobicContact CD1-CD1 4.41Å; L212-L284 HydrophobicContact CD2-CD2 3.98Å
213	M	82.6	Confident	67.9	Low	23 Å²	23	44.8 Å²	44.8	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	121.1	175	-172.8	157.7	17.7	0	0	111.2	C194 T195 R215 L225 K226	C194-M213 WeakPolarHBondContact CA-O 3.28Å; T195-M213 PolarHBondContact N-O 3.41Å; T195-M213 PolarHBondContact O-N 2.87Å; M213-R215 HydrophobicContact CG-CG 4.35Å; M213-R215 PolarHBondContact SD-NH2 3.23Å; M213-L225 WeakPolarHBondContact CA-O 3.44Å; M213-K226 HydrophobicContact CB-CG 4.26Å; M213-K226 HydrophobicContact CE-CD 3.88Å; M213-K226 HydrophobicContact CE-CG 4.04Å; M213-K226 HydrophobicContact CG-CB 4.14Å; M213-K226 HydrophobicContact CG-CG 4.21Å; M213-K226 HydrophobicContact SD-CB 4Å; M213-K226 HydrophobicContact SD-CD 3.8Å; M213-K226 HydrophobicContact SD-CG 3.81Å
214	L	84.7	Confident	69.6	Low	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.9	-178.9	-68.4	158	0	0	0	107.9	L170 I172 C194 L212 C224 L225 L240 L280 I282	L170-L214 HydrophobicContact CD2-CD1 3.94Å; I172-L214 HydrophobicContact CD1-CB 4.34Å; I172-L214 HydrophobicContact CD1-CD1 3.65Å; C194-L214 HydrophobicContact CB-CD2 3.84Å; C194-L214 WeakPolarHBondContact SG-CD2 3.43Å; L212-L214 HydrophobicContact CD2-CD1 4.27Å; L212-L214 HydrophobicContact CG-CG 4.46Å; L214-C224 WeakPolarHBondContact O-CA 3.23Å; L214-L225 HydrophobicContact CB-CB 4.48Å; L214-L225 PolarHBondContact N-O 2.98Å; L214-L225 PolarHBondContact O-N 3.31Å; L214-L240 HydrophobicContact CD2-CD1 3.76Å; L214-L280 HydrophobicContact CD2-CD2 4.24Å; L214-I282 HydrophobicContact CD1-CG2 4.36Å
215	R	79.5	Confident	71.2	Confident	6 Å²	6	28 Å²	28	2%	0.023	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140	177.9	-62.9	174.8	-175	94.5	-13.2	109.7	L140 I192 L193 T195 M213 Y222 H223 C224	L140-R215 HydrophobicContact CD2-CB 4.32Å; L140-R215 WeakPolarHBondContact O-CD 3.27Å; I192-R215 WeakPolarHBondContact CA-O 3.08Å; L193-R215 HydrophobicContact CB-CB 4.31Å; L193-R215 PolarHBondContact N-O 2.88Å; L193-R215 PolarHBondContact O-N 2.81Å; T195-R215 PolarHBondContact OG1-NH1 3.43Å; M213-R215 HydrophobicContact CG-CG 4.35Å; M213-R215 PolarHBondContact SD-NH2 3.23Å; R215-Y222 HydrophobicContact CB-CE2 4.23Å; R215-Y222 WeakPolarHBondContact CD-OH 3.44Å; R215-Y222 HydrophobicContact CG-CE2 4.33Å; R215-Y222 WeakPolarHBondContact CG-OH 3.28Å; R215-Y222 PolarHBondContact NE-OH 2.8Å; R215-H223 VanDerWaalsContact CA-O 3.28Å; R215-H223 WeakPolarHBondContact CA-O 3.4Å; R215-C224 HydrophobicContact CG-CB 4.29Å
216	T	76.1	Confident	72.9	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.3	171.8	-174.7	0	0	0	0	110.6	Y174 R191 L218 H223	Y174-T216 HydrophobicContact CE1-CG2 3.75Å; Y174-T216 VanDerWaalsContact OH-CG2 3.28Å; Y174-T216 WeakPolarHBondContact OH-CG2 3.27Å; R191-T216 WeakPolarHBondContact O-CA 3.37Å; R191-T216 PolarHBondContact O-OG1 3.14Å; T216-L218 HydrophobicContact CG2-CD1 3.91Å; T216-L218 HydrophobicContact CG2-CG 3.94Å; T216-H223 HydrophobicContact CG2-CB 3.88Å; T216-H223 PolarHBondContact N-O 2.9Å; T216-H223 PolarHBondContact O-N 3.13Å
217	V	67.7	Low	74.6	Confident	9 Å²	9	18.5 Å²	18.5	6%	0.055	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.4	172.9	174.4	0	0	0	0	108.7	Q139 L140 R191 E221 Y222 L338	Q139-V217 HydrophobicContact CB-CG2 3.82Å; L140-V217 HydrophobicContact CD2-CG2 4.07Å; R191-V217 WeakPolarHBondContact CD-O 3.5Å; V217-E221 CarbonylContact C-O 3.59Å; V217-E221 VanDerWaalsContact CA-O 3.25Å; V217-E221 WeakPolarHBondContact CA-O 3.44Å; V217-Y222 HydrophobicContact CG2-CD2 4.17Å; V217-L338 HydrophobicContact CG1-CD1 3.39Å; V217-L338 HydrophobicContact CG2-CD1 4.31Å
218	L	66	Low	76	Confident	7 Å²	7	21.7 Å²	21.7	4%	0.037	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.6	-178	-54.9	176.3	0	0	0	108.5	Y174 F180 T216 H220 E221	Y174-L218 HydrophobicContact CD1-CD1 3.45Å; Y174-L218 VanDerWaalsContact CD1-CD1 3.45Å; Y174-L218 HydrophobicContact CD2-CD1 3.98Å; Y174-L218 HydrophobicContact CE1-CD1 3.79Å; Y174-L218 HydrophobicContact CE2-CD1 4.27Å; Y174-L218 HydrophobicContact CG-CD1 3.56Å; F180-L218 HydrophobicContact CE2-CB 4.15Å; F180-L218 HydrophobicContact CE2-CD1 3.72Å; F180-L218 HydrophobicContact CE2-CD2 3.51Å; F180-L218 HydrophobicContact CE2-CG 3.96Å; F180-L218 HydrophobicContact CZ-CD1 3.99Å; F180-L218 HydrophobicContact CZ-CD2 3.51Å; F180-L218 HydrophobicContact CZ-CG 4.29Å; T216-L218 HydrophobicContact CG2-CD1 3.91Å; T216-L218 HydrophobicContact CG2-CG 3.94Å; L218-H220 PolarHBondContact O-N 2.9Å; L218-H220 VanDerWaalsContact O-N 3.14Å; L218-E221 PolarHBondContact N-O 3.11Å; L218-E221 VanDerWaalsContact O-CA 3.31Å; L218-E221 WeakPolarHBondContact O-CA 3.4Å; L218-E221 VanDerWaalsContact O-CB 3.22Å; L218-E221 WeakPolarHBondContact O-CB 3.42Å; L218-E221 PolarHBondContact O-N 3.24Å
219	D	62.2	Low	77.5	Confident	42 Å²	42	21.1 Å²	21.1	23%	0.225	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	34.6	175.7	-60.1	21	0	0	0	114.3	K178 V179 E221	K178-D219 PolarHBondContact N-OD2 3.28Å; V179-D219 WeakPolarHBondContact CB-OD1 3.45Å; V179-D219 HydrophobicContact CG2-CB 4.3Å; V179-D219 WeakPolarHBondContact CG2-OD1 3.19Å; V179-D219 PolarHBondContact N-OD2 3.23Å; D219-E221 PolarHBondContact O-N 3.37Å
220	H	59.5	Low	77.9	Confident	107 Å²	107	21.3 Å²	21.3	50%	0.495	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	19.7	-170.8	-53.1	-85	0	0	0	114.1	L218 L338	L218-H220 PolarHBondContact O-N 2.9Å; L218-H220 VanDerWaalsContact O-N 3.14Å; H220-L338 WeakPolarHBondContact O-CB 3.31Å; H220-L338 VanDerWaalsContact O-CG 3.23Å; H220-L338 WeakPolarHBondContact O-CG 3.19Å; H220-L338 PolarHBondContact O-N 3.26Å
221	E	62.1	Low	77.8	Confident	7 Å²	7	23.4 Å²	23.4	3%	0.033	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.9	172.9	-52.2	-156.8	115.9	0	0	110.4	L151 T154 V217 L218 D219 H223 I336	L151-E221 HydrophobicContact CD1-CG 4.14Å; T154-E221 WeakPolarHBondContact CB-OE1 3.45Å; T154-E221 VanDerWaalsContact CB-OE2 3.25Å; T154-E221 WeakPolarHBondContact CB-OE2 3.35Å; T154-E221 WeakPolarHBondContact CG2-OE1 3.41Å; T154-E221 WeakPolarHBondContact CG2-OE2 3.34Å; T154-E221 PolarHBondContact OG1-OE1 2.88Å; T154-E221 PolarHBondContact OG1-OE2 3.04Å; V217-E221 CarbonylContact C-O 3.59Å; V217-E221 VanDerWaalsContact CA-O 3.25Å; V217-E221 WeakPolarHBondContact CA-O 3.44Å; L218-E221 PolarHBondContact N-O 3.11Å; L218-E221 VanDerWaalsContact O-CA 3.31Å; L218-E221 WeakPolarHBondContact O-CA 3.4Å; L218-E221 VanDerWaalsContact O-CB 3.22Å; L218-E221 WeakPolarHBondContact O-CB 3.42Å; L218-E221 PolarHBondContact O-N 3.24Å; D219-E221 PolarHBondContact O-N 3.37Å; E221-H223 IonicContact OE2-CE1 3.49Å; E221-I336 CarbonylContact C-O 3.56Å; E221-I336 WeakPolarHBondContact CA-O 3.05Å
222	Y	70.3	Confident	77.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.5	171.5	175.3	-98.9	0	0	0	109.8	Q139 F144 R215 V217 C224 C335 I336	Q139-Y222 WeakPolarHBondContact O-CD2 3.38Å; Q139-Y222 WeakPolarHBondContact O-CE2 3.4Å; F144-Y222 HydrophobicContact CD1-CD2 4.3Å; F144-Y222 HydrophobicContact CD1-CG 4.32Å; R215-Y222 HydrophobicContact CB-CE2 4.23Å; R215-Y222 WeakPolarHBondContact CD-OH 3.44Å; R215-Y222 HydrophobicContact CG-CE2 4.33Å; R215-Y222 WeakPolarHBondContact CG-OH 3.28Å; R215-Y222 PolarHBondContact NE-OH 2.8Å; V217-Y222 HydrophobicContact CG2-CD2 4.17Å; Y222-C224 HydrophobicContact CD1-CB 4.28Å; Y222-C224 HydrophobicContact CE1-CB 3.43Å; Y222-C224 VanDerWaalsContact CE1-CB 3.43Å; Y222-C335 WeakPolarHBondContact O-CA 3.43Å; Y222-I336 PolarHBondContact N-O 2.97Å; Y222-I336 PolarHBondContact O-N 2.87Å
223	H	75.9	Confident	77.9	Confident	7 Å²	7	25.8 Å²	25.8	3%	0.032	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	173	-54.2	-84	0	0	0	110	Y174 R215 T216 E221 V334 C335	Y174-H223 HydrophobicContact CE1-CB 3.93Å; Y174-H223 AromaticContact CE1-CD2 3.97Å; Y174-H223 AromaticContact CE1-CG 3.79Å; R215-H223 VanDerWaalsContact CA-O 3.28Å; R215-H223 WeakPolarHBondContact CA-O 3.4Å; T216-H223 HydrophobicContact CG2-CB 3.88Å; T216-H223 PolarHBondContact N-O 2.9Å; T216-H223 PolarHBondContact O-N 3.13Å; E221-H223 IonicContact OE2-CE1 3.49Å; H223-V334 WeakPolarHBondContact CA-O 3.15Å; H223-C335 PolarHBondContact CE1-SG 3.37Å; H223-C335 PolarHBondContact ND1-SG 2.65Å
224	C	80.8	Confident	78.1	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	118	177	179.3	0	0	0	0	110.8	L214 R215 Y222 D333 V334	L214-C224 WeakPolarHBondContact O-CA 3.23Å; R215-C224 HydrophobicContact CG-CB 4.29Å; Y222-C224 HydrophobicContact CD1-CB 4.28Å; Y222-C224 HydrophobicContact CE1-CB 3.43Å; Y222-C224 VanDerWaalsContact CE1-CB 3.43Å; C224-D333 WeakPolarHBondContact O-CA 3.03Å; C224-V334 PolarHBondContact N-O 3.4Å; C224-V334 PolarHBondContact O-N 2.81Å
225	L	83	Confident	78.3	Confident	10 Å²	10	29.6 Å²	29.6	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.8	170	-177.8	64.7	0	0	0	108.8	W159 I172 M213 L214 L227 V330 D333	W159-L225 HydrophobicContact CB-CD2 4.46Å; W159-L225 HydrophobicContact CD2-CD1 4.46Å; W159-L225 HydrophobicContact CD2-CD2 4.01Å; W159-L225 HydrophobicContact CE3-CD2 4.42Å; W159-L225 HydrophobicContact CG-CD2 3.98Å; W159-L225 HydrophobicContact CZ2-CD1 4.32Å; I172-L225 HydrophobicContact CD1-CB 4.4Å; I172-L225 HydrophobicContact CD1-CD2 3.69Å; I172-L225 HydrophobicContact CG1-CD2 4.1Å; M213-L225 WeakPolarHBondContact CA-O 3.44Å; L214-L225 HydrophobicContact CB-CB 4.48Å; L214-L225 PolarHBondContact N-O 2.98Å; L214-L225 PolarHBondContact O-N 3.31Å; L225-L227 HydrophobicContact CD1-CD2 3.97Å; L225-L227 HydrophobicContact CD1-CG 4.3Å; L225-L227 HydrophobicContact CD2-CD1 4Å; L225-L227 HydrophobicContact CD2-CG 4.27Å; L225-L227 HydrophobicContact CG-CD1 4.28Å; L225-L227 HydrophobicContact CG-CD2 4.22Å; L225-L227 HydrophobicContact CG-CG 4Å; L225-V330 HydrophobicContact CD1-CG1 4.46Å; L225-D333 HydrophobicContact CD1-CB 3.98Å
226	K	82.6	Confident	78.5	Confident	69 Å²	69	31.7 Å²	31.7	30%	0.3	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.4	177.8	-170.9	-176.3	-179.4	178.2	0	109	V211 L212 M213 L331 R332	V211-K226 HydrophobicContact CG1-CD 4.26Å; V211-K226 HydrophobicContact CG1-CG 3.66Å; L212-K226 CarbonylContact O-C 3.56Å; L212-K226 WeakPolarHBondContact O-CA 3.47Å; M213-K226 HydrophobicContact CB-CG 4.26Å; M213-K226 HydrophobicContact CE-CD 3.88Å; M213-K226 HydrophobicContact CE-CG 4.04Å; M213-K226 HydrophobicContact CG-CB 4.14Å; M213-K226 HydrophobicContact CG-CG 4.21Å; M213-K226 HydrophobicContact SD-CB 4Å; M213-K226 HydrophobicContact SD-CD 3.8Å; M213-K226 HydrophobicContact SD-CG 3.81Å; K226-L331 HydrophobicContact CB-CB 4.32Å; K226-L331 HydrophobicContact CD-CB 3.96Å; K226-L331 HydrophobicContact CD-CD1 4.23Å; K226-L331 HydrophobicContact CG-CB 3.99Å; K226-L331 HydrophobicContact CG-CD1 4.23Å; K226-L331 PolarHBondContact O-N 3.46Å; K226-R332 HydrophobicContact CB-CB 3.72Å; K226-R332 HydrophobicContact CD-CB 4.34Å; K226-R332 PolarHBondContact N-O 3.16Å; K226-R332 PolarHBondContact O-N 3.05Å
227	L	85.6	Confident	78.7	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.8	-177.4	-60.4	174.8	0	0	0	109.7	W159 L170 V211 L212 L225 L229 I327 V330	W159-L227 HydrophobicContact CH2-CD2 3.96Å; W159-L227 HydrophobicContact CZ2-CD2 4.33Å; W159-L227 HydrophobicContact CZ3-CD1 4.47Å; W159-L227 HydrophobicContact CZ3-CD2 4.35Å; L170-L227 HydrophobicContact CD2-CD1 3.71Å; V211-L227 CarbonylContact C-O 3.42Å; V211-L227 WeakPolarHBondContact CA-O 3.44Å; L212-L227 PolarHBondContact N-O 3.03Å; L212-L227 PolarHBondContact O-N 2.95Å; L225-L227 HydrophobicContact CD1-CD2 3.97Å; L225-L227 HydrophobicContact CD1-CG 4.3Å; L225-L227 HydrophobicContact CD2-CD1 4Å; L225-L227 HydrophobicContact CD2-CG 4.27Å; L225-L227 HydrophobicContact CG-CD1 4.28Å; L225-L227 HydrophobicContact CG-CD2 4.22Å; L225-L227 HydrophobicContact CG-CG 4Å; L227-L229 HydrophobicContact CB-CD2 4.1Å; L227-I327 HydrophobicContact CD1-CD1 4.15Å; L227-V330 HydrophobicContact CD2-CB 4.25Å; L227-V330 HydrophobicContact CD2-CG1 4.45Å; L227-V330 HydrophobicContact CD2-CG2 3.75Å
228	R	85.5	Confident	78.9	Confident	104 Å²	104	34.4 Å²	34.4	39%	0.392	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.1	160.1	-180	176.5	-68	128.8	-1.7	107.5	G210 G328 V329 L331	G210-R228 CarbonylContact O-C 3.51Å; G210-R228 WeakPolarHBondContact O-CA 3.46Å; R228-G328 CarbonylContact O-C 3.43Å; R228-G328 WeakPolarHBondContact O-CA 3.03Å; R228-V329 PolarHBondContact N-O 3.35Å; R228-V329 PolarHBondContact O-N 3.45Å; R228-L331 HydrophobicContact CB-CD1 4.01Å; R228-L331 HydrophobicContact CB-CD2 4.18Å; R228-L331 HydrophobicContact CB-CG 4.07Å
229	L	88.3	Confident	79.6	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	154.6	-177.5	-61.8	-175.9	0	0	0	111.7	W196 G210 L212 L227 L233 L284 I327	W196-L229 HydrophobicContact CE3-CD1 4.37Å; W196-L229 HydrophobicContact CH2-CB 4.05Å; W196-L229 HydrophobicContact CH2-CD1 3.86Å; W196-L229 HydrophobicContact CH2-CG 4.19Å; W196-L229 HydrophobicContact CZ3-CB 4.1Å; W196-L229 HydrophobicContact CZ3-CD1 3.49Å; W196-L229 VanDerWaalsContact CZ3-CD1 3.49Å; W196-L229 HydrophobicContact CZ3-CG 3.77Å; G210-L229 PolarHBondContact O-N 3.09Å; L212-L229 HydrophobicContact CB-CD1 4.14Å; L212-L229 HydrophobicContact CB-CD2 4.49Å; L212-L229 HydrophobicContact CB-CG 4.13Å; L212-L229 HydrophobicContact CD2-CD1 4.39Å; L227-L229 HydrophobicContact CB-CD2 4.1Å; L229-L233 HydrophobicContact CB-CB 4.36Å; L229-L233 HydrophobicContact CD1-CB 4.45Å; L229-L284 HydrophobicContact CD1-CD1 4.29Å; L229-L284 HydrophobicContact CD1-CD2 3.87Å; L229-L284 HydrophobicContact CD2-CD1 4.01Å; L229-I327 WeakPolarHBondContact CA-O 3.49Å
230	C	85.8	Confident	80.4	Confident	24 Å²	24	35.6 Å²	35.6	16%	0.162	18%	0.176	C	C	.	.			trans	-55.3	143.8	166.7	-70.6	0	0	0	0	110.1	Q232 L233 F324 T326 I327	C230-Q232 PolarHBondContact O-N 3.4Å; C230-L233 HydrophobicContact CB-CD1 4.23Å; C230-L233 HydrophobicContact CB-CG 4.39Å; C230-L233 PolarHBondContact O-N 3.36Å; C230-F324 HydrophobicContact CB-CE1 4.4Å; C230-T326 PolarHBondContact SG-O 3.03Å; C230-I327 PolarHBondContact N-O 3.06Å; C230-I327 VanDerWaalsContact SG-C 3.53Å
231	P	83.9	Confident	81.2	Confident	45 Å²	45	33 Å²	33	29%	0.292	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.2	-175.9	-9.4	18.2	0	0	0	114.9	N207 L233	N207-P231 HydrophobicContact CB-CB 4.17Å; N207-P231 WeakPolarHBondContact O-CB 3.19Å; P231-L233 VanDerWaalsContact C-N 3.32Å
232	Q	85.8	Confident	81.7	Confident	65 Å²	65	34.8 Å²	34.8	30%	0.304	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	1.3	174.4	-53.8	79.9	5.3	0	0	113.2	C230 L287 F324	C230-Q232 PolarHBondContact O-N 3.4Å; Q232-L287 PolarHBondContact O-N 2.97Å; Q232-F324 HydrophobicContact CB-CE1 4.02Å; Q232-F324 HydrophobicContact CB-CZ 3.88Å
233	L	87.6	Confident	81.7	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.2	-178.7	-64.9	175.9	0	0	0	110.5	I168 L229 C230 P231 L284 I285 K286 F324 I327	I168-L233 HydrophobicContact CD1-CD1 3.97Å; I168-L233 HydrophobicContact CD1-CD2 3.78Å; I168-L233 HydrophobicContact CG1-CD2 4.39Å; L229-L233 HydrophobicContact CB-CB 4.36Å; L229-L233 HydrophobicContact CD1-CB 4.45Å; C230-L233 HydrophobicContact CB-CD1 4.23Å; C230-L233 HydrophobicContact CB-CG 4.39Å; C230-L233 PolarHBondContact O-N 3.36Å; P231-L233 VanDerWaalsContact C-N 3.32Å; L233-L284 HydrophobicContact CD1-CD1 4.36Å; L233-L284 HydrophobicContact CD2-CB 4.41Å; L233-I285 WeakPolarHBondContact CA-O 3.46Å; L233-K286 HydrophobicContact CD2-CG 4.08Å; L233-F324 HydrophobicContact CD1-CD1 4.33Å; L233-F324 HydrophobicContact CD1-CE1 4.27Å; L233-F324 HydrophobicContact CD2-CE1 4.24Å; L233-F324 HydrophobicContact CD2-CE2 4.29Å; L233-F324 HydrophobicContact CD2-CZ 3.95Å; L233-F324 HydrophobicContact CG-CE1 4.02Å; L233-F324 HydrophobicContact CG-CZ 4.21Å; L233-I327 HydrophobicContact CD1-CB 3.84Å; L233-I327 HydrophobicContact CD1-CG2 4.06Å
234	R	87	Confident	81.1	Confident	100 Å²	100	40.9 Å²	40.9	38%	0.377	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.9	173.4	-178	-177.3	173.2	117.5	2.6	109.5	D236 L284 I285 L287	R234-D236 PolarHBondContact O-N 3.1Å; R234-L284 CarbonylContact O-C 3.52Å; R234-L284 WeakPolarHBondContact O-CA 3.39Å; R234-I285 PolarHBondContact N-O 3.22Å; R234-I285 PolarHBondContact O-N 3.1Å; R234-L287 HydrophobicContact CB-CD1 4.23Å; R234-L287 HydrophobicContact CB-CD2 4.11Å; R234-L287 HydrophobicContact CB-CG 4.28Å
235	P	88.5	Confident	79.9	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.045	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.5	176.9	31.5	-34.8	0	0	0	110.4	W196 L212 L237 I282 L284	W196-P235 HydrophobicContact CB-CG 3.92Å; W196-P235 VanDerWaalsContact CD2-CD 3.48Å; W196-P235 HydrophobicContact CD2-CG 3.42Å; W196-P235 VanDerWaalsContact CD2-CG 3.42Å; W196-P235 HydrophobicContact CE3-CG 3.43Å; W196-P235 VanDerWaalsContact CE3-CG 3.43Å; W196-P235 HydrophobicContact CG-CG 3.66Å; W196-P235 HydrophobicContact CZ3-CG 4.07Å; L212-P235 HydrophobicContact CD1-CB 3.97Å; L212-P235 HydrophobicContact CD1-CG 4.12Å; P235-L237 HydrophobicContact CB-CD2 4.03Å; P235-L237 HydrophobicContact CG-CD2 4.18Å; P235-I282 HydrophobicContact CB-CD1 4.15Å; P235-L284 HydrophobicContact CB-CD2 3.83Å
236	D	85	Confident	78.2	Confident	49 Å²	49	45.9 Å²	45.9	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	92.4	162.6	-173.7	-9.9	0	0	0	108.3	R234 S238 T239 N283 I285	R234-D236 PolarHBondContact O-N 3.1Å; D236-S238 PolarHBondContact O-N 2.91Å; D236-S238 WeakPolarHBondContact OD1-CB 3.31Å; D236-S238 PolarHBondContact OD1-N 3.11Å; D236-S238 PolarHBondContact OD1-OG 3.35Å; D236-S238 PolarHBondContact OD2-OG 2.73Å; D236-T239 HydrophobicContact CB-CG2 3.92Å; D236-T239 PolarHBondContact O-N 2.9Å; D236-T239 PolarHBondContact O-OG1 2.94Å; D236-T239 WeakPolarHBondContact OD2-CG2 3.27Å; D236-N283 PolarHBondContact N-O 3.39Å; D236-I285 HydrophobicContact CB-CD1 3.83Å; D236-I285 HydrophobicContact CB-CG1 4Å
237	L	79.9	Confident	76.1	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-20.9	-178.4	-56.1	-172.7	0	0	0	112.8	C194 W196 L212 P235 T239 L240 I282 V375 T379	C194-L237 HydrophobicContact CB-CD2 4.4Å; C194-L237 WeakPolarHBondContact SG-CD2 3.45Å; W196-L237 HydrophobicContact CB-CD1 4.35Å; W196-L237 HydrophobicContact CB-CD2 4.45Å; L212-L237 HydrophobicContact CD1-CD2 4.39Å; P235-L237 HydrophobicContact CB-CD2 4.03Å; P235-L237 HydrophobicContact CG-CD2 4.18Å; L237-T239 PolarHBondContact O-N 3.33Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 3.11Å; L237-I282 HydrophobicContact CD2-CD1 3.94Å; L237-V375 WeakPolarHBondContact CD1-O 3.29Å; L237-T379 WeakPolarHBondContact CB-OG1 3.25Å
238	S	71.4	Confident	73.6	Confident	62 Å²	62	52.5 Å²	52.5	43%	0.434	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-11.6	177.8	77.2	0	0	0	0	114.4	D236	D236-S238 PolarHBondContact O-N 2.91Å; D236-S238 WeakPolarHBondContact OD1-CB 3.31Å; D236-S238 PolarHBondContact OD1-N 3.11Å; D236-S238 PolarHBondContact OD1-OG 3.35Å; D236-S238 PolarHBondContact OD2-OG 2.73Å
239	T	80	Confident	70.9	Confident	34 Å²	34	53 Å²	53	21%	0.209	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-0.3	177.5	64.3	0	0	0	0	113.2	D236 L237 C241 N283	D236-T239 HydrophobicContact CB-CG2 3.92Å; D236-T239 PolarHBondContact O-N 2.9Å; D236-T239 PolarHBondContact O-OG1 2.94Å; D236-T239 WeakPolarHBondContact OD2-CG2 3.27Å; L237-T239 PolarHBondContact O-N 3.33Å; T239-C241 PolarHBondContact O-N 3.05Å; T239-C241 VanDerWaalsContact O-N 3.14Å; T239-N283 HydrophobicContact CG2-CB 4Å; T239-N283 WeakPolarHBondContact CG2-ND2 3.02Å; T239-N283 VanDerWaalsContact OG1-CB 3.29Å; T239-N283 WeakPolarHBondContact OG1-CB 3.12Å; T239-N283 PolarHBondContact OG1-N 3.31Å
240	L	80.8	Confident	68.2	Low	39 Å²	39	58.8 Å²	58.8	20%	0.204	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	118	177.5	-174.8	72.6	0	0	0	110	I192 C194 L214 L237 L280 S281 I282	I192-L240 HydrophobicContact CG2-CD1 4.49Å; I192-L240 HydrophobicContact CG2-CD2 3.86Å; C194-L240 HydrophobicContact CB-CD1 4.34Å; C194-L240 HydrophobicContact CB-CD2 3.7Å; L214-L240 HydrophobicContact CD2-CD1 3.76Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 3.11Å; L240-L280 HydrophobicContact CD1-CD1 3.67Å; L240-L280 HydrophobicContact CD1-CD2 4.38Å; L240-L280 HydrophobicContact CD1-CG 4.18Å; L240-L280 HydrophobicContact CG-CD1 4.17Å; L240-S281 CarbonylContact C-O 3.6Å; L240-S281 WeakPolarHBondContact CA-O 3.48Å; L240-I282 HydrophobicContact CD1-CB 4.1Å; L240-I282 HydrophobicContact CD1-CD1 4.28Å
241	C	75.2	Confident	65.6	Low	53 Å²	53	67.4 Å²	67.4	36%	0.358	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	132.5	-173.8	-172.5	0	0	0	0	111.5	T239 N243 L280 S281	T239-C241 PolarHBondContact O-N 3.05Å; T239-C241 VanDerWaalsContact O-N 3.14Å; C241-N243 PolarHBondContact SG-OD1 2.86Å; C241-L280 CarbonylContact O-C 3.35Å; C241-L280 WeakPolarHBondContact O-CA 3.24Å; C241-L280 WeakPolarHBondContact O-CD1 3.33Å; C241-S281 PolarHBondContact N-O 2.85Å; C241-S281 PolarHBondContact O-N 3.17Å; C241-S281 PolarHBondContact O-OG 2.87Å; C241-S281 VanDerWaalsContact O-OG 3.13Å
242	L	72.9	Confident	63	Low	45 Å²	45	70 Å²	70	24%	0.236	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.6	172.8	-174	69.7	0	0	0	109.2	F180 F183 I192 T278 L280	F180-L242 HydrophobicContact CE1-CD2 4.12Å; F180-L242 HydrophobicContact CZ-CD2 4.4Å; F183-L242 HydrophobicContact CE1-CD2 3.9Å; I192-L242 HydrophobicContact CD1-CB 3.77Å; I192-L242 HydrophobicContact CD1-CD1 4.14Å; I192-L242 HydrophobicContact CD1-CD2 3.92Å; I192-L242 HydrophobicContact CD1-CG 4.15Å; L242-T278 HydrophobicContact CD1-CG2 3.87Å; L242-L280 HydrophobicContact CB-CD1 4.41Å; L242-L280 HydrophobicContact CD1-CB 4.11Å; L242-L280 HydrophobicContact CD1-CD1 4.42Å
243	N	70	Confident	60.2	Low	75 Å²	75	73.4 Å²	73.4	40%	0.401	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.8	179.8	-67.7	-41.7	0	0	0	110.9	C241 Q279	C241-N243 PolarHBondContact SG-OD1 2.86Å; N243-Q279 PolarHBondContact N-O 3.41Å; N243-Q279 PolarHBondContact O-N 3.02Å
244	H	62.9	Low	57.5	Low	60 Å²	60	79.1 Å²	79.1	28%	0.278	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.2	173.6	-178.4	69	0	0	0	110	F180 T277 T278	F180-H244 PolarHBondContact O-CE1 3.46Å; F180-H244 PolarHBondContact O-NE2 2.86Å; H244-T277 PolarHBondContact ND1-O 3.22Å; H244-T278 PolarHBondContact ND1-OG1 3.41Å
245	S	56.8	Low	54.9	Low	76 Å²	76	79.4 Å²	79.4	53%	0.531	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.2	174.2	50.6	0	0	0	0	109.4	G276 T277	S245-G276 CarbonylContact O-C 3.58Å; S245-G276 WeakPolarHBondContact O-CA 3.41Å; S245-T277 PolarHBondContact N-O 2.84Å; S245-T277 PolarHBondContact O-N 2.87Å; S245-T277 PolarHBondContact OG-OG1 2.78Å
246	G	45.9	Very low	52.1	Low	40 Å²	40	84.3 Å²	84.3	41%	0.412	50%	0.5	S	S	.	.			trans	-168.2	-25	-177.7	0	0	0	0	0	118.4
247	I	40.2	Very low	49.6	Very low	108 Å²	108	85 Å²	85	55%	0.554	51%	0.509	S	S	*	.			trans	-133.4	93.9	-174.2	-52.1	173.1	0	0	0	110.3
248	S	31.9	Very low	47.6	Very low	102 Å²	102	90 Å²	90	71%	0.713	54%	0.542	S	S	*	.			trans	-92.9	109.8	160.8	50.5	0	0	0	0	108.2
249	N	29.1	Very low	46.1	Very low	116 Å²	116	91 Å²	91	62%	0.62	55%	0.549	S	S	*	.			trans	-59.3	128.5	170.1	-107.2	-21.5	0	0	0	108.8	K251	N249-K251 PolarHBondContact O-N 3.17Å
250	P	31.2	Very low	44	Very low	124 Å²	124	92 Å²	92	81%	0.805	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	28.4	-169.2	29.5	-34.3	0	0	0	115
251	K	32.2	Very low	41.7	Very low	205 Å²	205	95.3 Å²	95.3	89%	0.891	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	2.9	178.5	-76.1	-169.6	176.6	-179.9	0	115.7	N249	N249-K251 PolarHBondContact O-N 3.17Å
252	S	28.1	Very low	39.6	Very low	100 Å²	100	96.7 Å²	96.7	70%	0.699	59%	0.585	S	S	*	*	S	Bend	trans	-121.9	42.8	179	68.6	0	0	0	0	113.8
253	M	27.4	Very low	37.8	Very low	135 Å²	135	101.9 Å²	101.9	67%	0.665	61%	0.611	S	S	*	*			trans	-131.3	58.2	173.9	-66.7	-170.3	75	0	0	111.5	L256	M253-L256 HydrophobicContact CE-CD1 3.48Å; M253-L256 VanDerWaalsContact CE-CD1 3.48Å
254	S	32.2	Very low	35.9	Very low	125 Å²	125	103.5 Å²	103.5	87%	0.874	62%	0.62	S	S	*	*			trans	-93.5	7.6	171.3	53.4	0	0	0	0	113.8
255	S	32.1	Very low	34.2	Very low	105 Å²	105	111.1 Å²	111.1	73%	0.734	65%	0.646	S	S	*	*			trans	-137	58	-174.4	68.9	0	0	0	0	113.5
256	L	29.2	Very low	32.9	Very low	110 Å²	110	118.8 Å²	118.8	58%	0.576	66%	0.663	S	S	*	*			trans	-133.7	131	164.2	-79.8	166.6	0	0	0	110.4	M253	M253-L256 HydrophobicContact CE-CD1 3.48Å; M253-L256 VanDerWaalsContact CE-CD1 3.48Å
257	S	31.7	Very low	32.2	Very low	65 Å²	65	123.4 Å²	123.4	46%	0.455	68%	0.683	S	S	.	*			trans	-65.9	151.3	-175.7	50.6	0	0	0	0	112.4	S259 S260	S257-S259 PolarHBondContact O-N 2.75Å; S257-S260 PolarHBondContact O-N 2.89Å
258	P	39.1	Very low	31.4	Very low	112 Å²	112	121.6 Å²	121.6	73%	0.727	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-56.5	-24.4	-172.6	-25.1	33.2	0	0	0	115.5	S260 L261	P258-S260 VanDerWaalsContact C-N 3.29Å; P258-S260 PolarHBondContact O-N 3.24Å; P258-L261 PolarHBondContact O-N 3.34Å
259	S	38.8	Very low	31.1	Very low	83 Å²	83	119.9 Å²	119.9	58%	0.58	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-66.2	-26.6	178	51	0	0	0	0	113.7	S257 S262	S257-S259 PolarHBondContact O-N 2.75Å; S259-S262 PolarHBondContact O-OG 2.9Å
260	S	36.8	Very low	30.9	Very low	53 Å²	53	124.2 Å²	124.2	37%	0.371	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-81.2	-16.4	178.9	-52.9	0	0	0	0	113	S257 P258	S257-S260 PolarHBondContact O-N 2.89Å; P258-S260 VanDerWaalsContact C-N 3.29Å; P258-S260 PolarHBondContact O-N 3.24Å
261	L	31.5	Very low	30.6	Very low	109 Å²	109	122.5 Å²	122.5	57%	0.571	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-22	-178.5	-74.1	166.9	0	0	0	113.3	P258	P258-L261 PolarHBondContact O-N 3.34Å
262	S	32.3	Very low	30.3	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-29.9	-177.7	64.4	0	0	0	0	113.2	S259 L264	S259-S262 PolarHBondContact O-OG 2.9Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 2.89Å
263	L	34.8	Very low	30.3	Very low	153 Å²	153	114.5 Å²	114.5	80%	0.801	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-21.9	176.1	-98.2	135.2	0	0	0	113.4
264	L	29.6	Very low	30.8	Very low	110 Å²	110	117.9 Å²	117.9	58%	0.576	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-13.8	-177.9	-88.5	142.4	0	0	0	114.6	S262	S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 2.89Å
265	R	27	Very low	31.6	Very low	219 Å²	219	118.7 Å²	118.7	83%	0.826	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-9.5	179.6	-84.3	-168	-177.3	-170	2	115.5	V267	R265-V267 VanDerWaalsContact C-N 3.33Å; R265-V267 PolarHBondContact O-N 2.86Å
266	R	29.6	Very low	32.8	Very low	238 Å²	238	113.8 Å²	113.8	90%	0.898	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	1.5	-179.5	-90.9	-170.4	-178.1	-177.1	2.1	115.7
267	V	31.1	Very low	34.5	Very low	136 Å²	136	111 Å²	111	82%	0.824	65%	0.652	S	S	*	*			trans	-118.5	59.3	172.2	-164.3	0	0	0	0	109	R265	R265-V267 VanDerWaalsContact C-N 3.33Å; R265-V267 PolarHBondContact O-N 2.86Å
268	G	24.5	Very low	36.3	Very low	71 Å²	71	107.9 Å²	107.9	73%	0.732	63%	0.63	S	S	*	*			trans	-110.9	68	173	0	0	0	0	0	109.8
269	G	24.7	Very low	38.3	Very low	66 Å²	66	106 Å²	106	68%	0.68	61%	0.612	S	S	*	*			trans	-88.3	124	158.4	0	0	0	0	0	107.8	G271	G269-G271 PolarHBondContact O-N 2.86Å
270	E	25.5	Very low	40.5	Very low	206 Å²	206	102.2 Å²	102.2	96%	0.963	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	126.9	179.9	-65.8	173.9	148.4	0	0	111
271	G	24.7	Very low	42.9	Very low	88 Å²	88	100 Å²	100	91%	0.907	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.3	9	161.5	0	0	0	0	0	119.5	G269	G269-G271 PolarHBondContact O-N 2.86Å
272	G	25.3	Very low	45.6	Very low	67 Å²	67	94.9 Å²	94.9	69%	0.691	54%	0.543	S	S	*	.			trans	-106.2	106	177.4	0	0	0	0	0	113.4	R274	G272-R274 PolarHBondContact O-N 3.48Å
273	G	29.8	Very low	48.5	Very low	70 Å²	70	92.6 Å²	92.6	72%	0.722	52%	0.524	S	S	*	.			trans	-57.4	125.8	163	0	0	0	0	0	109	E275	G273-E275 PolarHBondContact O-N 2.97Å; G273-E275 VanDerWaalsContact O-N 3.1Å
274	R	37.8	Very low	51.2	Low	207 Å²	207	85.3 Å²	85.3	78%	0.781	49%	0.486	S	S	*	.			trans	-67.4	110.1	179.6	-75.7	-179.8	172.3	-176.4	-3.3	109	G272	G272-R274 PolarHBondContact O-N 3.48Å
275	E	47.7	Very low	54	Low	141 Å²	141	83.4 Å²	83.4	66%	0.659	48%	0.475	S	S	*	.			trans	-72.3	135.8	-177.6	-60.4	178	154.9	0	0	111.4	N176 G273	N176-E275 WeakPolarHBondContact ND2-CB 3.22Å; N176-E275 PolarHBondContact ND2-OE2 3.22Å; G273-E275 PolarHBondContact O-N 2.97Å; G273-E275 VanDerWaalsContact O-N 3.1Å
276	G	57.4	Low	56.8	Low	3 Å²	3	75 Å²	75	3%	0.031	45%	0.445	C	S	.	.			trans	-86.9	142.4	-179.8	0	0	0	0	0	112.4	N176 D181 S245	N176-G276 PolarHBondContact OD1-O 3.08Å; D181-G276 PolarHBondContact OD1-N 2.79Å; S245-G276 CarbonylContact O-C 3.58Å; S245-G276 WeakPolarHBondContact O-CA 3.41Å
277	T	65.1	Low	59.3	Low	51 Å²	51	66.3 Å²	66.3	31%	0.313	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147	176.9	60.9	0	0	0	0	111.9	H244 S245	H244-T277 PolarHBondContact ND1-O 3.22Å; S245-T277 PolarHBondContact N-O 2.84Å; S245-T277 PolarHBondContact O-N 2.87Å; S245-T277 PolarHBondContact OG-OG1 2.78Å
278	T	70.3	Confident	61	Low	0 Å²	0	66.9 Å²	66.9	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.8	-179.5	-66.9	0	0	0	0	111.7	N173 Y174 F180 L242 H244	N173-T278 WeakPolarHBondContact CA-O 3.4Å; N173-T278 PolarHBondContact OD1-O 2.85Å; Y174-T278 HydrophobicContact CD2-CG2 4.07Å; Y174-T278 PolarHBondContact N-O 3.02Å; F180-T278 WeakPolarHBondContact CB-OG1 3.43Å; F180-T278 HydrophobicContact CD1-CG2 3.49Å; F180-T278 VanDerWaalsContact CD1-CG2 3.49Å; F180-T278 WeakPolarHBondContact CD1-OG1 3.39Å; F180-T278 HydrophobicContact CD2-CG2 4.31Å; F180-T278 HydrophobicContact CE1-CG2 3.03Å; F180-T278 WeakPolarHBondContact CE1-OG1 3.42Å; F180-T278 HydrophobicContact CE2-CG2 3.96Å; F180-T278 HydrophobicContact CG-CG2 4.06Å; F180-T278 WeakPolarHBondContact CG-OG1 3.45Å; F180-T278 HydrophobicContact CZ-CG2 3.29Å; L242-T278 HydrophobicContact CD1-CG2 3.87Å; H244-T278 PolarHBondContact ND1-OG1 3.41Å
279	Q	79.6	Confident	62.4	Low	73 Å²	73	65.8 Å²	65.8	34%	0.341	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.3	-173.9	-172	173.9	76.4	0	0	111.8	T171 I172 N243	T171-Q279 HydrophobicContact CG2-CG 3.21Å; I172-Q279 CarbonylContact O-C 3.54Å; I172-Q279 VanDerWaalsContact O-CA 3.31Å; I172-Q279 WeakPolarHBondContact O-CA 3.49Å; N243-Q279 PolarHBondContact N-O 3.41Å; N243-Q279 PolarHBondContact O-N 3.02Å
280	L	85.1	Confident	63.2	Low	2 Å²	2	67.8 Å²	67.8	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.1	164.8	-179.9	62	0	0	0	108.9	T171 I172 Y174 I192 L214 L240 C241 L242	T171-L280 CarbonylContact C-O 3.53Å; T171-L280 WeakPolarHBondContact CA-O 3.2Å; I172-L280 HydrophobicContact CB-CB 4.32Å; I172-L280 HydrophobicContact CD1-CD2 4.29Å; I172-L280 PolarHBondContact N-O 3.33Å; I172-L280 PolarHBondContact O-N 2.81Å; Y174-L280 HydrophobicContact CE2-CB 3.76Å; I192-L280 HydrophobicContact CD1-CD1 3.68Å; I192-L280 HydrophobicContact CG2-CD1 4.33Å; I192-L280 HydrophobicContact CG2-CD2 4.06Å; L214-L280 HydrophobicContact CD2-CD2 4.24Å; L240-L280 HydrophobicContact CD1-CD1 3.67Å; L240-L280 HydrophobicContact CD1-CD2 4.38Å; L240-L280 HydrophobicContact CD1-CG 4.18Å; L240-L280 HydrophobicContact CG-CD1 4.17Å; C241-L280 CarbonylContact O-C 3.35Å; C241-L280 WeakPolarHBondContact O-CA 3.24Å; C241-L280 WeakPolarHBondContact O-CD1 3.33Å; L242-L280 HydrophobicContact CB-CD1 4.41Å; L242-L280 HydrophobicContact CD1-CB 4.11Å; L242-L280 HydrophobicContact CD1-CD1 4.42Å
281	S	87.6	Confident	63.7	Low	7 Å²	7	63.3 Å²	63.3	5%	0.049	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.1	179.4	56.4	0	0	0	0	110.9	L170 L240 C241	L170-S281 CarbonylContact O-C 3.47Å; L170-S281 VanDerWaalsContact O-CA 3.24Å; L170-S281 WeakPolarHBondContact O-CA 3.42Å; L240-S281 CarbonylContact C-O 3.6Å; L240-S281 WeakPolarHBondContact CA-O 3.48Å; C241-S281 PolarHBondContact N-O 2.85Å; C241-S281 PolarHBondContact O-N 3.17Å; C241-S281 PolarHBondContact O-OG 2.87Å; C241-S281 VanDerWaalsContact O-OG 3.13Å
282	I	89.1	Confident	64.3	Low	2 Å²	2	64.4 Å²	64.4	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	138.9	172.6	-173.6	172.8	0	0	0	109.8	L170 L212 L214 P235 L237 L240	L170-I282 HydrophobicContact CB-CG2 3.94Å; L170-I282 HydrophobicContact CD2-CG2 4.01Å; L170-I282 HydrophobicContact CG-CG2 4.25Å; L170-I282 PolarHBondContact N-O 2.9Å; L170-I282 PolarHBondContact O-N 2.89Å; L212-I282 HydrophobicContact CD1-CD1 4.41Å; L214-I282 HydrophobicContact CD1-CG2 4.36Å; P235-I282 HydrophobicContact CB-CD1 4.15Å; L237-I282 HydrophobicContact CD2-CD1 3.94Å; L240-I282 HydrophobicContact CD1-CB 4.1Å; L240-I282 HydrophobicContact CD1-CD1 4.28Å
283	N	91.6	Very high	64.7	Low	34 Å²	34	66.2 Å²	66.2	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.2	176.2	-61.6	-23.9	0	0	0	111.3	Y167 I168 D236 T239	Y167-N283 HydrophobicContact CD2-CB 3.83Å; Y167-N283 HydrophobicContact CE2-CB 4.46Å; Y167-N283 WeakPolarHBondContact CE2-OD1 3.37Å; Y167-N283 HydrophobicContact CG-CB 4.41Å; I168-N283 CarbonylContact O-C 3.56Å; I168-N283 WeakPolarHBondContact O-CA 3.26Å; D236-N283 PolarHBondContact N-O 3.39Å; T239-N283 HydrophobicContact CG2-CB 4Å; T239-N283 WeakPolarHBondContact CG2-ND2 3.02Å; T239-N283 VanDerWaalsContact OG1-CB 3.29Å; T239-N283 WeakPolarHBondContact OG1-CB 3.12Å; T239-N283 PolarHBondContact OG1-N 3.31Å
284	L	91.8	Very high	64.8	Low	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.2	170.9	-48.2	-179.8	0	0	0	107.6	Y167 I168 L170 L212 L229 L233 R234 P235 I327	Y167-L284 CarbonylContact C-O 3.33Å; Y167-L284 VanDerWaalsContact CA-O 3.23Å; Y167-L284 WeakPolarHBondContact CA-O 3.48Å; Y167-L284 WeakPolarHBondContact CB-O 3.41Å; I168-L284 HydrophobicContact CB-CB 4.31Å; I168-L284 PolarHBondContact N-O 3.29Å; I168-L284 PolarHBondContact O-N 2.75Å; L170-L284 HydrophobicContact CB-CD1 4.42Å; L212-L284 HydrophobicContact CD2-CD2 3.98Å; L229-L284 HydrophobicContact CD1-CD1 4.29Å; L229-L284 HydrophobicContact CD1-CD2 3.87Å; L229-L284 HydrophobicContact CD2-CD1 4.01Å; L233-L284 HydrophobicContact CD1-CD1 4.36Å; L233-L284 HydrophobicContact CD2-CB 4.41Å; R234-L284 CarbonylContact O-C 3.52Å; R234-L284 WeakPolarHBondContact O-CA 3.39Å; P235-L284 HydrophobicContact CB-CD2 3.83Å; L284-I327 HydrophobicContact CD1-CB 4.31Å; L284-I327 HydrophobicContact CD1-CD1 4.16Å; L284-I327 HydrophobicContact CD1-CG2 4.44Å
285	I	88.8	Confident	64.4	Low	71 Å²	71	66.1 Å²	66.1	36%	0.364	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.1	178.3	-58.4	172.1	0	0	0	108.9	L233 R234 D236 L287	L233-I285 WeakPolarHBondContact CA-O 3.46Å; R234-I285 PolarHBondContact N-O 3.22Å; R234-I285 PolarHBondContact O-N 3.1Å; D236-I285 HydrophobicContact CB-CD1 3.83Å; D236-I285 HydrophobicContact CB-CG1 4Å; I285-L287 PolarHBondContact O-N 3.22Å
286	K	86.8	Confident	63.5	Low	42 Å²	42	64.1 Å²	64.1	18%	0.183	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.1	170.8	-61	178.3	-169.1	172.6	0	109.3	E163 Y164 G165 S166 L233 F324	E163-K286 WeakPolarHBondContact OE1-CE 3.45Å; E163-K286 IonicContact OE1-NZ 3.41Å; E163-K286 PolarHBondContact OE1-NZ 3.42Å; Y164-K286 WeakPolarHBondContact O-CE 3.44Å; Y164-K286 PolarHBondContact O-NZ 2.99Å; G165-K286 PolarHBondContact O-NZ 3.43Å; S166-K286 PolarHBondContact O-N 3.35Å; L233-K286 HydrophobicContact CD2-CG 4.08Å; K286-F324 HydrophobicContact CD-CE2 4.09Å; K286-F324 HydrophobicContact CG-CE2 4.14Å
287	L	81.6	Confident	62.2	Low	55 Å²	55	69 Å²	69	29%	0.288	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-77.7	124.4	172.9	-56.7	177.7	0	0	0	108.1	Q232 R234 I285 S289	Q232-L287 PolarHBondContact O-N 2.97Å; R234-L287 HydrophobicContact CB-CD1 4.23Å; R234-L287 HydrophobicContact CB-CD2 4.11Å; R234-L287 HydrophobicContact CB-CG 4.28Å; I285-L287 PolarHBondContact O-N 3.22Å; L287-S289 PolarHBondContact O-N 3.49Å
288	L	66.8	Low	60.6	Low	149 Å²	149	72.3 Å²	72.3	78%	0.78	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-62.4	120.3	172.6	-70.7	167.2	0	0	0	108.1	V290	L288-V290 PolarHBondContact O-N 3.48Å; L288-V290 VanDerWaalsContact O-N 3.12Å
289	S	53.8	Low	58.7	Low	48 Å²	48	78.3 Å²	78.3	34%	0.336	48%	0.477	S	S	.	.			trans	-63.4	114.1	171	59.7	0	0	0	0	108.3	L287 T291	L287-S289 PolarHBondContact O-N 3.49Å; S289-T291 PolarHBondContact O-N 3.33Å; S289-T291 VanDerWaalsContact O-N 3.08Å
290	V	42.1	Very low	56.4	Low	108 Å²	108	79.3 Å²	79.3	66%	0.655	49%	0.492	S	S	*	.			trans	-64.7	108	156.2	-177.2	0	0	0	0	105.5	L288 P292	L288-V290 PolarHBondContact O-N 3.48Å; L288-V290 VanDerWaalsContact O-N 3.12Å; V290-P292 WeakPolarHBondContact O-CD 3.29Å; V290-P292 VanDerWaalsContact O-N 3.16Å
291	T	35.2	Very low	54	Low	111 Å²	111	89.4 Å²	89.4	68%	0.681	54%	0.536	S	S	*	.			trans	-53.9	120.5	170.2	35.3	0	0	0	0	107.6	S289 S293	S289-T291 PolarHBondContact O-N 3.33Å; S289-T291 VanDerWaalsContact O-N 3.08Å; T291-S293 PolarHBondContact O-N 2.83Å
292	P	36.4	Very low	51.4	Low	111 Å²	111	94.5 Å²	94.5	72%	0.721	57%	0.569	S	S	*	*			trans	-64.4	108.4	172.6	25.4	-28.8	0	0	0	105.8	V290 S294	V290-P292 WeakPolarHBondContact O-CD 3.29Å; V290-P292 VanDerWaalsContact O-N 3.16Å; P292-S294 PolarHBondContact O-N 3.22Å
293	S	34.2	Very low	48.4	Very low	105 Å²	105	99.3 Å²	99.3	73%	0.734	60%	0.603	S	S	*	*			trans	-51.9	109.5	176.2	48.1	0	0	0	0	108.8	T291 L295	T291-S293 PolarHBondContact O-N 2.83Å; S293-L295 PolarHBondContact O-N 3.16Å
294	S	31.9	Very low	45.3	Very low	106 Å²	106	105.5 Å²	105.5	74%	0.741	64%	0.635	S	S	*	*			trans	30.5	85.1	158.5	58.5	0	0	0	0	115.8	P292 S296	P292-S294 PolarHBondContact O-N 3.22Å; S294-S296 VanDerWaalsContact C-N 3.26Å; S294-S296 PolarHBondContact O-N 3.5Å
295	L	28.5	Very low	42.1	Very low	169 Å²	169	110.5 Å²	110.5	89%	0.885	67%	0.67	S	S	*	*			trans	-72.4	85.3	156.3	-79.2	152.7	0	0	0	108.2	S293	S293-L295 PolarHBondContact O-N 3.16Å
296	S	30.7	Very low	39.2	Very low	99 Å²	99	113.2 Å²	113.2	69%	0.692	69%	0.689	S	S	*	*			trans	-72.6	124.7	156.9	55.4	0	0	0	0	108.1	S294	S294-S296 VanDerWaalsContact C-N 3.26Å; S294-S296 PolarHBondContact O-N 3.5Å
297	S	30	Very low	36.5	Very low	106 Å²	106	120.3 Å²	120.3	74%	0.741	72%	0.723	S	S	*	*			trans	0.5	125	155.3	55.4	0	0	0	0	115.2
298	T	30.9	Very low	34.6	Very low	121 Å²	121	122 Å²	122	74%	0.742	74%	0.738	S	S	*	*				-156.4	137.8	75.1	43.4	0	0	0	0	112.9	S300	T298-S300 PolarHBondContact O-N 3.21Å; T298-S300 VanDerWaalsContact O-N 3.16Å
299	S	30	Very low	32.7	Very low	126 Å²	126	122 Å²	122	88%	0.881	74%	0.738	S	S	*	*			trans	-65	102.5	160.3	53.4	0	0	0	0	110.8
300	S	31.5	Very low	31.7	Very low	93 Å²	93	128 Å²	128	65%	0.65	77%	0.765	S	S	*	*			trans	-156.3	108.5	146.4	53.7	0	0	0	0	105.9	T298	T298-S300 PolarHBondContact O-N 3.21Å; T298-S300 VanDerWaalsContact O-N 3.16Å
301	F	34.5	Very low	30.8	Very low	215 Å²	215	126.2 Å²	126.2	94%	0.943	77%	0.769	S	S	*	*			trans	-40.2	124.7	175.2	-55.8	-91.5	0	0	0	108.7
302	P	34.2	Very low	30.4	Very low	113 Å²	113	128.1 Å²	128.1	73%	0.734	77%	0.774	S	S	*	*				-153.8	-175.2	52.4	35.3	-9.5	0	0	0	115.5
303	S	24.7	Very low	29.9	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	79%	0.785	S	S	*	*			trans	38.5	115.1	143.6	62.5	0	0	0	0	122.8
304	L	26.5	Very low	29.4	Very low	165 Å²	165	134.2 Å²	134.2	86%	0.864	79%	0.787	S	S	*	*				29.3	125.8	129.7	-119.4	88.6	0	0	0	120.3
305	S	25.1	Very low	29.3	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	80%	0.796	S	S	*	*				157.6	110.8	112.4	54.9	0	0	0	0	111.4
306	V	28.1	Very low	29.3	Very low	128 Å²	128	135.4 Å²	135.4	78%	0.776	79%	0.789	S	S	*	*				61.5	112.6	102.5	-176.4	0	0	0	0	114.4
307	Q	29.6	Very low	29.4	Very low	191 Å²	191	133.8 Å²	133.8	89%	0.893	79%	0.787	S	S	*	*			trans	-139.7	151.1	137.1	-92.1	-149.9	-24.3	0	0	112.5
308	P	42.9	Very low	29.6	Very low	92 Å²	92	138.2 Å²	138.2	60%	0.597	79%	0.793	S	S	*	*			trans	-98.7	152	-163.3	38.1	-30.2	0	0	0	111.7
309	N	26.9	Very low	29.9	Very low	148 Å²	148	137 Å²	137	79%	0.791	79%	0.79	S	S	*	*				174.4	99.4	128.9	-85.5	-23	0	0	0	110.1	G311	N309-G311 PolarHBondContact O-N 3.45Å
310	I	31.8	Very low	30.6	Very low	174 Å²	174	134.7 Å²	134.7	89%	0.892	77%	0.773	S	S	*	*			trans	12.2	104.2	137.8	-50.7	170.7	0	0	0	113.8
311	G	24.2	Very low	31.3	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	78%	0.78	S	S	*	*			trans	-142.6	117.9	170.9	0	0	0	0	0	109.5	N309	N309-G311 PolarHBondContact O-N 3.45Å
312	N	25.9	Very low	32.2	Very low	150 Å²	150	130 Å²	130	80%	0.802	75%	0.75	S	S	*	*			trans	-30.2	136.8	-175.7	-65.9	-41.6	0	0	0	116.9	E314	N312-E314 VanDerWaalsContact C-N 3.31Å; N312-E314 PolarHBondContact O-N 3.37Å
313	L	25.9	Very low	33.3	Very low	180 Å²	180	129.3 Å²	129.3	94%	0.942	75%	0.748	S	S	*	*			trans	-59.3	89.5	164.7	-84	147.6	0	0	0	109.7	L315	L313-L315 PolarHBondContact O-N 2.99Å
314	E	24.8	Very low	35	Very low	165 Å²	165	125.7 Å²	125.7	77%	0.771	72%	0.72	S	S	*	*			trans	-75.3	116.5	160.2	-76	-169.1	163.2	0	0	108.3	N312 V316	N312-E314 VanDerWaalsContact C-N 3.31Å; N312-E314 PolarHBondContact O-N 3.37Å; E314-V316 HydrophobicContact CB-CG2 4.06Å; E314-V316 PolarHBondContact O-N 3.27Å
315	L	29.6	Very low	37	Very low	179 Å²	179	123.8 Å²	123.8	94%	0.937	72%	0.72	S	S	*	*			trans	-64.6	75.4	165.9	-83.3	155	0	0	0	108.5	L313 G317	L313-L315 PolarHBondContact O-N 2.99Å; L315-G317 VanDerWaalsContact C-N 3.32Å; L315-G317 PolarHBondContact O-N 3.17Å
316	V	28.6	Very low	39.6	Very low	121 Å²	121	121.5 Å²	121.5	73%	0.733	70%	0.702	S	S	*	*			trans	-74.9	94.8	171.6	-176.8	0	0	0	0	107.4	E314 K318	E314-V316 HydrophobicContact CB-CG2 4.06Å; E314-V316 PolarHBondContact O-N 3.27Å; V316-K318 PolarHBondContact O-N 3.23Å
317	G	33	Very low	42.2	Very low	64 Å²	64	115.5 Å²	115.5	66%	0.66	67%	0.665	S	S	*	*			trans	-56.8	119.8	167.7	0	0	0	0	0	110.7	L315	L315-G317 VanDerWaalsContact C-N 3.32Å; L315-G317 PolarHBondContact O-N 3.17Å
318	K	34	Very low	44.8	Very low	199 Å²	199	107.2 Å²	107.2	87%	0.865	63%	0.631	S	S	*	*			trans	-174.2	107.4	134.9	-100.2	165.7	-174.3	-179.3	0	105.2	V316 S320	V316-K318 PolarHBondContact O-N 3.23Å; K318-S320 VanDerWaalsContact C-N 3.33Å; K318-S320 PolarHBondContact O-N 2.94Å
319	S	37.4	Very low	46.7	Very low	96 Å²	96	107 Å²	107	67%	0.671	63%	0.627	S	S	*	*			trans	-52.7	101.2	169.2	54.9	0	0	0	0	107.8	N321	S319-N321 VanDerWaalsContact C-N 3.32Å; S319-N321 PolarHBondContact O-N 2.82Å
320	S	42.7	Very low	49.3	Very low	77 Å²	77	103 Å²	103	54%	0.538	61%	0.609	S	S	.	*			trans	-59.5	107.6	158.3	42.3	0	0	0	0	104.7	K318 I322	K318-S320 VanDerWaalsContact C-N 3.33Å; K318-S320 PolarHBondContact O-N 2.94Å; S320-I322 PolarHBondContact O-N 3.14Å
321	N	46.8	Very low	51.2	Low	146 Å²	146	97.7 Å²	97.7	78%	0.781	58%	0.582	S	S	*	*			trans	-66	80.9	173.1	-82.5	-16.9	0	0	0	107.4	S319 S323	S319-N321 VanDerWaalsContact C-N 3.32Å; S319-N321 PolarHBondContact O-N 2.82Å; N321-S323 VanDerWaalsContact C-N 3.35Å; N321-S323 PolarHBondContact O-N 3.42Å
322	I	53.1	Low	53.4	Low	64 Å²	64	98.6 Å²	98.6	33%	0.328	56%	0.563	S	S	.	*			trans	-72.5	97.6	170.1	-58.8	172	0	0	0	105.3	S320 F324	S320-I322 PolarHBondContact O-N 3.14Å; I322-F324 HydrophobicContact CB-CE2 4.39Å; I322-F324 HydrophobicContact CG2-CD2 4.44Å; I322-F324 HydrophobicContact CG2-CE2 3.96Å; I322-F324 HydrophobicContact CG2-CZ 4.02Å; I322-F324 WeakPolarHBondContact O-CD2 3.43Å; I322-F324 WeakPolarHBondContact O-CE2 3.28Å
323	S	56.9	Low	55.6	Low	98 Å²	98	93.2 Å²	93.2	69%	0.685	53%	0.534	S	S	*	.			trans	-78.7	132.6	171.3	179.4	0	0	0	0	109.3	N321	N321-S323 VanDerWaalsContact C-N 3.35Å; N321-S323 PolarHBondContact O-N 3.42Å
324	F	61.2	Low	57.6	Low	28 Å²	28	86.4 Å²	86.4	12%	0.123	50%	0.5	C	S	.	.			trans	-98.4	121.7	-178.2	-71.1	-96	0	0	0	110.8	I168 C230 Q232 L233 K286 I322 T326	I168-F324 HydrophobicContact CD1-CB 4.27Å; I168-F324 HydrophobicContact CD1-CD2 3.87Å; I168-F324 HydrophobicContact CD1-CE2 4.41Å; I168-F324 HydrophobicContact CD1-CG 4.06Å; C230-F324 HydrophobicContact CB-CE1 4.4Å; Q232-F324 HydrophobicContact CB-CE1 4.02Å; Q232-F324 HydrophobicContact CB-CZ 3.88Å; L233-F324 HydrophobicContact CD1-CD1 4.33Å; L233-F324 HydrophobicContact CD1-CE1 4.27Å; L233-F324 HydrophobicContact CD2-CE1 4.24Å; L233-F324 HydrophobicContact CD2-CE2 4.29Å; L233-F324 HydrophobicContact CD2-CZ 3.95Å; L233-F324 HydrophobicContact CG-CE1 4.02Å; L233-F324 HydrophobicContact CG-CZ 4.21Å; K286-F324 HydrophobicContact CD-CE2 4.09Å; K286-F324 HydrophobicContact CG-CE2 4.14Å; I322-F324 HydrophobicContact CB-CE2 4.39Å; I322-F324 HydrophobicContact CG2-CD2 4.44Å; I322-F324 HydrophobicContact CG2-CE2 3.96Å; I322-F324 HydrophobicContact CG2-CZ 4.02Å; I322-F324 WeakPolarHBondContact O-CD2 3.43Å; I322-F324 WeakPolarHBondContact O-CE2 3.28Å; F324-T326 VanDerWaalsContact C-N 3.29Å
325	S	69.4	Low	59.2	Low	125 Å²	125	80.1 Å²	80.1	87%	0.874	47%	0.474	S	S	*	.	S	Bend	trans	-75.1	-22.2	169	59.2	0	0	0	0	112.5
326	T	79.4	Confident	60.4	Low	56 Å²	56	74 Å²	74	34%	0.344	44%	0.441	S	S	.	.			trans	-150.5	151.2	174	-178.3	0	0	0	0	110.2	C230 F324 G328	C230-T326 PolarHBondContact SG-O 3.03Å; F324-T326 VanDerWaalsContact C-N 3.29Å; T326-G328 PolarHBondContact OG1-N 3.29Å; T326-G328 VanDerWaalsContact OG1-N 3.12Å; T326-G328 PolarHBondContact OG1-O 3.32Å
327	I	83.1	Confident	61.2	Low	2 Å²	2	68.3 Å²	68.3	1%	0.01	41%	0.408	C	S	.	.	S	Bend	trans	-86.1	-11.8	170.3	61.5	170.4	0	0	0	113	W159 W161 I168 L170 L227 L229 C230 L233 L284	W159-I327 HydrophobicContact CZ3-CD1 4.21Å; W161-I327 HydrophobicContact CB-CG2 4.42Å; W161-I327 HydrophobicContact CD2-CD1 3.97Å; W161-I327 HydrophobicContact CD2-CG1 4.02Å; W161-I327 HydrophobicContact CD2-CG2 3.8Å; W161-I327 HydrophobicContact CE3-CD1 3.69Å; W161-I327 HydrophobicContact CE3-CG1 3.92Å; W161-I327 HydrophobicContact CG-CD1 4.38Å; W161-I327 HydrophobicContact CG-CG2 3.72Å; W161-I327 HydrophobicContact CH2-CG1 4.38Å; W161-I327 HydrophobicContact CZ2-CG1 4.48Å; W161-I327 HydrophobicContact CZ3-CD1 4.25Å; W161-I327 HydrophobicContact CZ3-CG1 4.13Å; I168-I327 HydrophobicContact CD1-CG2 3.84Å; I168-I327 HydrophobicContact CG2-CG2 3.96Å; L170-I327 HydrophobicContact CD1-CD1 3.96Å; L227-I327 HydrophobicContact CD1-CD1 4.15Å; L229-I327 WeakPolarHBondContact CA-O 3.49Å; C230-I327 PolarHBondContact N-O 3.06Å; C230-I327 VanDerWaalsContact SG-C 3.53Å; L233-I327 HydrophobicContact CD1-CB 3.84Å; L233-I327 HydrophobicContact CD1-CG2 4.06Å; L284-I327 HydrophobicContact CD1-CB 4.31Å; L284-I327 HydrophobicContact CD1-CD1 4.16Å; L284-I327 HydrophobicContact CD1-CG2 4.44Å
328	G	83.9	Confident	61.8	Low	16 Å²	16	66.3 Å²	66.3	17%	0.165	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-158.3	-175.7	0	0	0	0	0	115.2	R228 T326	R228-G328 CarbonylContact O-C 3.43Å; R228-G328 WeakPolarHBondContact O-CA 3.03Å; T326-G328 PolarHBondContact OG1-N 3.29Å; T326-G328 VanDerWaalsContact OG1-N 3.12Å; T326-G328 PolarHBondContact OG1-O 3.32Å
329	V	81.6	Confident	62	Low	87 Å²	87	60.9 Å²	60.9	53%	0.527	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.6	179	-178.9	0	0	0	0	109.8	R228 L331	R228-V329 PolarHBondContact N-O 3.35Å; R228-V329 PolarHBondContact O-N 3.45Å; V329-L331 HydrophobicContact CG1-CD2 4.41Å; V329-L331 PolarHBondContact O-N 2.65Å
330	V	81.5	Confident	62.2	Low	66 Å²	66	59.4 Å²	59.4	40%	0.4	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.8	174	-173.8	0	0	0	0	109.2	W159 L225 L227 D333	W159-V330 HydrophobicContact CH2-CG2 3.67Å; W159-V330 HydrophobicContact CZ2-CG2 3.46Å; W159-V330 VanDerWaalsContact CZ2-CG2 3.46Å; L225-V330 HydrophobicContact CD1-CG1 4.46Å; L227-V330 HydrophobicContact CD2-CB 4.25Å; L227-V330 HydrophobicContact CD2-CG1 4.45Å; L227-V330 HydrophobicContact CD2-CG2 3.75Å; V330-D333 HydrophobicContact CG1-CB 3.78Å
331	L	72.5	Confident	61.7	Low	62 Å²	62	63 Å²	63	33%	0.325	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-32.2	176.2	-58.2	-175.9	0	0	0	112.1	V211 K226 R228 V329	V211-L331 HydrophobicContact CG1-CD1 4.07Å; V211-L331 HydrophobicContact CG2-CD1 4Å; K226-L331 HydrophobicContact CB-CB 4.32Å; K226-L331 HydrophobicContact CD-CB 3.96Å; K226-L331 HydrophobicContact CD-CD1 4.23Å; K226-L331 HydrophobicContact CG-CB 3.99Å; K226-L331 HydrophobicContact CG-CD1 4.23Å; K226-L331 PolarHBondContact O-N 3.46Å; R228-L331 HydrophobicContact CB-CD1 4.01Å; R228-L331 HydrophobicContact CB-CD2 4.18Å; R228-L331 HydrophobicContact CB-CG 4.07Å; V329-L331 HydrophobicContact CG1-CD2 4.41Å; V329-L331 PolarHBondContact O-N 2.65Å
332	R	69.3	Low	61.1	Low	89 Å²	89	62.4 Å²	62.4	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	137	178.6	-167.3	176.4	-176.1	-177.6	-0	109.1	K226 V334	K226-R332 HydrophobicContact CB-CB 3.72Å; K226-R332 HydrophobicContact CD-CB 4.34Å; K226-R332 PolarHBondContact N-O 3.16Å; K226-R332 PolarHBondContact O-N 3.05Å; R332-V334 HydrophobicContact CG-CB 4.32Å; R332-V334 HydrophobicContact CG-CG2 3.57Å
333	D	73.3	Confident	60.6	Low	37 Å²	37	60.6 Å²	60.6	20%	0.198	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	97.4	174.7	-177.1	-1.3	0	0	0	108.5	K156 W159 C224 L225 V330	K156-D333 WeakPolarHBondContact CE-OD1 3.24Å; K156-D333 WeakPolarHBondContact CE-OD2 3.36Å; K156-D333 PolarHBondContact NZ-O 2.9Å; K156-D333 IonicContact NZ-OD1 3.41Å; K156-D333 PolarHBondContact NZ-OD1 3.18Å; K156-D333 IonicContact NZ-OD2 2.71Å; K156-D333 PolarHBondContact NZ-OD2 2.88Å; W159-D333 PolarHBondContact NE1-OD2 2.8Å; C224-D333 WeakPolarHBondContact O-CA 3.03Å; L225-D333 HydrophobicContact CD1-CB 3.98Å; V330-D333 HydrophobicContact CG1-CB 3.78Å
334	V	67.6	Low	59.5	Low	37 Å²	37	58.6 Å²	58.6	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.2	-161.4	171.1	0	0	0	0	110.7	H223 C224 R332 I336	H223-V334 WeakPolarHBondContact CA-O 3.15Å; C224-V334 PolarHBondContact N-O 3.4Å; C224-V334 PolarHBondContact O-N 2.81Å; R332-V334 HydrophobicContact CG-CB 4.32Å; R332-V334 HydrophobicContact CG-CG2 3.57Å; V334-I336 HydrophobicContact CG1-CD1 3.2Å; V334-I336 HydrophobicContact CG1-CG1 3.39Å
335	C	57.6	Low	58.2	Low	33 Å²	33	63 Å²	63	22%	0.223	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.5	176.3	-174.9	0	0	0	0	107.8	Y222 H223	Y222-C335 WeakPolarHBondContact O-CA 3.43Å; H223-C335 PolarHBondContact CE1-SG 3.37Å; H223-C335 PolarHBondContact ND1-SG 2.65Å
336	I	55.1	Low	57	Low	50 Å²	50	59.2 Å²	59.2	26%	0.256	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.7	-174.1	-51.1	171.9	0	0	0	110.2	P146 E221 Y222 V334	P146-I336 HydrophobicContact CB-CB 3.83Å; P146-I336 HydrophobicContact CB-CD1 4.39Å; P146-I336 HydrophobicContact CB-CG2 3.53Å; P146-I336 HydrophobicContact CG-CB 3.69Å; P146-I336 HydrophobicContact CG-CD1 3.36Å; P146-I336 HydrophobicContact CG-CG1 4.06Å; P146-I336 HydrophobicContact CG-CG2 3.71Å; E221-I336 CarbonylContact C-O 3.56Å; E221-I336 WeakPolarHBondContact CA-O 3.05Å; Y222-I336 PolarHBondContact N-O 2.97Å; Y222-I336 PolarHBondContact O-N 2.87Å; V334-I336 HydrophobicContact CG1-CD1 3.2Å; V334-I336 HydrophobicContact CG1-CG1 3.39Å
337	G	45.8	Very low	55.4	Low	3 Å²	3	63 Å²	63	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	141.6	172.6	0	0	0	0	0	112.9	S147	S147-G337 PolarHBondContact OG-O 3.38Å
338	L	46.1	Very low	54.3	Low	22 Å²	22	65.9 Å²	65.9	12%	0.115	36%	0.362	C	S	.	.			trans	-83.2	129	174.5	-67.1	174	0	0	0	110	F144 V217 H220	F144-L338 HydrophobicContact CD1-CD2 4.26Å; F144-L338 HydrophobicContact CE1-CD2 3.12Å; F144-L338 HydrophobicContact CE2-CD2 4.29Å; F144-L338 HydrophobicContact CZ-CD2 3.15Å; V217-L338 HydrophobicContact CG1-CD1 3.39Å; V217-L338 HydrophobicContact CG2-CD1 4.31Å; H220-L338 WeakPolarHBondContact O-CB 3.31Å; H220-L338 VanDerWaalsContact O-CG 3.23Å; H220-L338 WeakPolarHBondContact O-CG 3.19Å; H220-L338 PolarHBondContact O-N 3.26Å
339	D	37.9	Very low	53.6	Low	84 Å²	84	67.4 Å²	67.4	45%	0.449	37%	0.368	S	S	.	.			trans	-123.8	129.3	150	-144.9	-13.5	0	0	0	105.6	S147 E341	S147-D339 VanDerWaalsContact OG-CB 3.24Å; S147-D339 WeakPolarHBondContact OG-CB 3.39Å; S147-D339 PolarHBondContact OG-N 3.27Å; D339-E341 PolarHBondContact O-N 3.49Å
340	V	40.7	Very low	53.5	Low	66 Å²	66	64.5 Å²	64.5	40%	0.4	35%	0.348	S	S	.	.			trans	-79.8	-5.4	-163.7	174.7	0	0	0	0	111.9	P137	P137-V340 HydrophobicContact CG-CB 4.42Å; P137-V340 HydrophobicContact CG-CG1 3.76Å
341	E	33.7	Very low	53.7	Low	153 Å²	153	62.7 Å²	62.7	72%	0.715	33%	0.334	S	S	*	.	S	Bend	trans	-96.6	115.7	-176.7	-61.5	-172.3	176.1	0	0	110.8	D339	D339-E341 PolarHBondContact O-N 3.49Å
342	N	33	Very low	54.5	Low	132 Å²	132	63.2 Å²	63.2	71%	0.706	34%	0.34	S	S	*	.			trans	94.8	98.9	171.7	-48	-57.2	0	0	0	116
343	S	43.1	Very low	55.6	Low	26 Å²	26	59 Å²	59	18%	0.182	32%	0.324	C	S	.	.			trans	-140.8	120.7	149	62.3	0	0	0	0	111.4
344	S	34.5	Very low	56.5	Low	57 Å²	57	62.2 Å²	62.2	40%	0.399	34%	0.338	S	S	.	.			trans	-62.3	150.9	172.1	47.1	0	0	0	0	113.4
345	I	33	Very low	57.8	Low	120 Å²	120	60.5 Å²	60.5	62%	0.615	33%	0.327	S	S	*	.			trans	1.5	115.2	168.4	-73.8	162.3	0	0	0	114.4	P131	P131-I345 VanDerWaalsContact CA-CD1 3.45Å; P131-I345 HydrophobicContact CB-CB 3.97Å; P131-I345 HydrophobicContact CB-CD1 3.4Å; P131-I345 HydrophobicContact CB-CG1 3.51Å; P131-I345 HydrophobicContact CG-CB 4.21Å; P131-I345 HydrophobicContact CG-CD1 3.57Å; P131-I345 HydrophobicContact CG-CG1 4.06Å
346	S	44.5	Very low	59.5	Low	45 Å²	45	62.4 Å²	62.4	32%	0.315	34%	0.335	S	S	.	.			trans	-128.6	127.2	155.2	69.8	0	0	0	0	108.9	E348	S346-E348 VanDerWaalsContact C-N 3.34Å; S346-E348 PolarHBondContact O-N 3.08Å
347	N	46	Very low	61.3	Low	136 Å²	136	64.1 Å²	64.1	73%	0.727	34%	0.342	S	S	*	.			trans	-51.5	106.1	161.8	-72.7	-16.5	0	0	0	106.7	F143 V349	F143-N347 WeakPolarHBondContact CE2-O 3.32Å; N347-V349 PolarHBondContact O-N 3.24Å; N347-V349 VanDerWaalsContact O-N 3.12Å
348	E	60.2	Low	63.7	Low	63 Å²	63	65.2 Å²	65.2	29%	0.294	35%	0.348	S	S	.	.			trans	-53.9	123.3	176.5	-77.6	179.9	179.4	0	0	107.6	S346 F350 N389	S346-E348 VanDerWaalsContact C-N 3.34Å; S346-E348 PolarHBondContact O-N 3.08Å; E348-F350 HydrophobicContact CB-CD2 4.21Å; E348-F350 HydrophobicContact CB-CE2 3.56Å; E348-F350 HydrophobicContact CB-CZ 4.2Å; E348-F350 WeakPolarHBondContact O-CD2 3.29Å; E348-F350 PolarHBondContact O-N 3.16Å; E348-F350 WeakPolarHBondContact OE2-CZ 3.26Å; E348-N389 VanDerWaalsContact CD-ND2 3.26Å; E348-N389 PolarHBondContact OE1-ND2 3.2Å; E348-N389 VanDerWaalsContact OE1-ND2 3.08Å; E348-N389 PolarHBondContact OE2-ND2 3.43Å
349	V	68.6	Low	65.9	Low	48 Å²	48	68.7 Å²	68.7	29%	0.291	36%	0.361	S	S	.	.			trans	-76.3	121.1	177.1	-178.1	0	0	0	0	107	P142 F143 N347 Y351 S458 L459	P142-V349 HydrophobicContact CG-CG2 4.23Å; F143-V349 HydrophobicContact CE2-CG2 3.82Å; N347-V349 PolarHBondContact O-N 3.24Å; N347-V349 VanDerWaalsContact O-N 3.12Å; V349-Y351 HydrophobicContact CG1-CD2 4.49Å; V349-Y351 HydrophobicContact CG1-CE2 3.84Å; V349-S458 VanDerWaalsContact O-CA 3.31Å; V349-S458 WeakPolarHBondContact O-CA 3.19Å; V349-L459 PolarHBondContact O-N 3.48Å
350	F	80	Confident	68.5	Low	26 Å²	26	70.2 Å²	70.2	11%	0.114	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.8	172.4	-70.3	-97	0	0	0	109.8	E348 N389 R391 I401 E456 V457	E348-F350 HydrophobicContact CB-CD2 4.21Å; E348-F350 HydrophobicContact CB-CE2 3.56Å; E348-F350 HydrophobicContact CB-CZ 4.2Å; E348-F350 WeakPolarHBondContact O-CD2 3.29Å; E348-F350 PolarHBondContact O-N 3.16Å; E348-F350 WeakPolarHBondContact OE2-CZ 3.26Å; F350-N389 HydrophobicContact CE1-CB 3.9Å; F350-N389 WeakPolarHBondContact CE1-O 3.25Å; F350-N389 HydrophobicContact CZ-CB 3.97Å; F350-R391 HydrophobicContact CD1-CB 4.46Å; F350-R391 HydrophobicContact CD1-CG 3.71Å; F350-R391 HydrophobicContact CE1-CB 4.09Å; F350-R391 HydrophobicContact CE1-CG 3.81Å; F350-R391 HydrophobicContact CG-CG 4.19Å; F350-R391 HydrophobicContact CZ-CG 4.36Å; F350-I401 HydrophobicContact CE1-CG2 4.47Å; F350-I401 HydrophobicContact CZ-CD1 4.23Å; F350-I401 HydrophobicContact CZ-CG2 4.19Å; F350-E456 HydrophobicContact CB-CB 4.19Å; F350-E456 HydrophobicContact CD1-CB 4.35Å; F350-V457 CarbonylContact C-O 3.56Å; F350-V457 WeakPolarHBondContact CA-O 2.94Å
351	Y	84.9	Confident	70.8	Confident	27 Å²	27	67.6 Å²	67.6	11%	0.106	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.7	174.3	-64.9	-87.1	0	0	0	109.4	V349 C353 W373 P374 V378 E456 V457 L459	V349-Y351 HydrophobicContact CG1-CD2 4.49Å; V349-Y351 HydrophobicContact CG1-CE2 3.84Å; Y351-C353 PolarHBondContact O-N 2.79Å; Y351-C353 PolarHBondContact O-SG 3.4Å; Y351-C353 VanDerWaalsContact O-SG 3.33Å; Y351-W373 HydrophobicContact CD2-CZ3 4.32Å; Y351-P374 HydrophobicContact CD1-CG 4.28Å; Y351-V378 HydrophobicContact CD1-CB 4.08Å; Y351-V378 HydrophobicContact CD1-CG1 3.8Å; Y351-V378 HydrophobicContact CD2-CG1 4.47Å; Y351-V378 HydrophobicContact CE1-CB 3.78Å; Y351-V378 HydrophobicContact CE1-CG1 4.05Å; Y351-V378 HydrophobicContact CE1-CG2 4.11Å; Y351-V378 HydrophobicContact CE2-CG2 4.19Å; Y351-V378 HydrophobicContact CG-CG1 4.02Å; Y351-E456 WeakPolarHBondContact O-CA 3.21Å; Y351-V457 PolarHBondContact N-O 3.33Å; Y351-V457 PolarHBondContact O-N 2.95Å; Y351-L459 HydrophobicContact CD2-CD2 4.46Å; Y351-L459 HydrophobicContact CE2-CD2 3.56Å; Y351-L459 HydrophobicContact CE2-CG 4.01Å
352	V	90.1	Very high	73.1	Confident	73 Å²	73	66.3 Å²	66.3	44%	0.442	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	113.5	171.1	-176.2	0	0	0	0	107.8	T454 E456	V352-T454 HydrophobicContact CG1-CG2 3.98Å; V352-E456 HydrophobicContact CG2-CG 4.06Å
353	C	92.2	Very high	75.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.3	-177.2	-58.4	0	0	0	0	109.9	Y351 I371 N372 T454 I455 V457	Y351-C353 PolarHBondContact O-N 2.79Å; Y351-C353 PolarHBondContact O-SG 3.4Å; Y351-C353 VanDerWaalsContact O-SG 3.33Å; C353-I371 HydrophobicContact CB-CG2 3.4Å; C353-I371 VanDerWaalsContact CB-CG2 3.4Å; C353-N372 WeakPolarHBondContact CB-O 3.33Å; C353-T454 CarbonylContact O-C 3.54Å; C353-T454 VanDerWaalsContact O-CA 3.26Å; C353-T454 WeakPolarHBondContact O-CA 3.33Å; C353-I455 HydrophobicContact CB-CG2 4.26Å; C353-I455 PolarHBondContact N-O 3.06Å; C353-I455 PolarHBondContact O-N 3.17Å; C353-V457 HydrophobicContact CB-CG2 4.3Å
354	H	92.8	Very high	77.2	Confident	105 Å²	105	68 Å²	68	49%	0.486	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.8	176.6	-70.9	-79.5	0	0	0	111	N372	H354-N372 PolarHBondContact N-O 2.98Å; H354-N372 PolarHBondContact O-N 3.4Å
355	I	94.9	Very high	79.8	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.4	174.2	-58.5	176.9	0	0	0	108.5	E357 L369 L449 N452 D453 I455	I355-E357 VanDerWaalsContact CG2-O 3.27Å; I355-E357 WeakPolarHBondContact CG2-O 3.44Å; I355-L369 HydrophobicContact CD1-CD1 4.48Å; I355-L449 HydrophobicContact CD1-CB 3.89Å; I355-L449 HydrophobicContact CD1-CD1 3.82Å; I355-L449 HydrophobicContact CD1-CD2 4.1Å; I355-L449 HydrophobicContact CD1-CG 4.17Å; I355-N452 PolarHBondContact O-N 3.22Å; I355-D453 HydrophobicContact CD1-CB 4.2Å; I355-D453 PolarHBondContact N-O 2.97Å; I355-I455 HydrophobicContact CD1-CB 4.43Å; I355-I455 HydrophobicContact CD1-CG2 4.45Å; I355-I455 HydrophobicContact CG1-CG2 4.1Å
356	I	92.8	Very high	82.7	Confident	73 Å²	73	61 Å²	61	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-48.3	176.6	-49.3	174.4	0	0	0	109.4	C370 N372 K429 A451	I356-C370 HydrophobicContact CB-CB 4.32Å; I356-C370 PolarHBondContact N-O 2.84Å; I356-N372 HydrophobicContact CD1-CB 3.87Å; I356-N372 HydrophobicContact CG1-CB 3.93Å; I356-K429 HydrophobicContact CD1-CB 4.04Å; I356-K429 HydrophobicContact CD1-CD 4.14Å; I356-A451 WeakPolarHBondContact O-CB 3.47Å
357	E	93.5	Very high	85	Confident	86 Å²	86	59.6 Å²	59.6	40%	0.402	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.2	-177.6	-57.4	170.9	-177.2	0	0	109.7	I355 Y359 L369 C370	I355-E357 VanDerWaalsContact CG2-O 3.27Å; I355-E357 WeakPolarHBondContact CG2-O 3.44Å; E357-Y359 HydrophobicContact CB-CD1 4.32Å; E357-Y359 HydrophobicContact CB-CE1 4.41Å; E357-L369 WeakPolarHBondContact O-CA 3.42Å; E357-C370 HydrophobicContact CB-CB 3.85Å; E357-C370 HydrophobicContact CG-CB 4.32Å; E357-C370 PolarHBondContact N-O 2.82Å; E357-C370 PolarHBondContact O-N 2.9Å; E357-C370 PolarHBondContact OE2-SG 3.41Å; E357-C370 VanDerWaalsContact OE2-SG 3.39Å
358	S	94.5	Very high	87.4	Confident	25 Å²	25	53.2 Å²	53.2	18%	0.175	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	109.7	178.8	-178.9	0	0	0	0	108.6	R367 L368 L369 L449	S358-R367 PolarHBondContact OG-NH2 3.25Å; S358-L368 WeakPolarHBondContact CA-O 3.37Å; S358-L369 WeakPolarHBondContact OG-CD2 3.39Å; S358-L449 PolarHBondContact OG-O 3Å
359	Y	93.6	Very high	89	Confident	96 Å²	96	50.2 Å²	50.2	38%	0.376	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.3	-177.5	63	-90.9	0	0	0	112.5	E357 L361 R367 L368	E357-Y359 HydrophobicContact CB-CD1 4.32Å; E357-Y359 HydrophobicContact CB-CE1 4.41Å; Y359-L361 HydrophobicContact CE2-CD1 4.23Å; Y359-R367 CarbonylContact O-C 3.56Å; Y359-R367 WeakPolarHBondContact O-CA 3.39Å; Y359-L368 HydrophobicContact CE1-CB 4.4Å; Y359-L368 HydrophobicContact CE1-CD2 3.96Å; Y359-L368 HydrophobicContact CE2-CB 4.25Å; Y359-L368 HydrophobicContact CE2-CD2 4.3Å; Y359-L368 PolarHBondContact N-O 2.96Å; Y359-L368 VanDerWaalsContact N-O 3.15Å; Y359-L368 PolarHBondContact O-N 2.8Å; Y359-L368 WeakPolarHBondContact OH-CD2 3.33Å
360	W	92.3	Very high	90.2	Very high	115 Å²	115	47.9 Å²	47.9	44%	0.436	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.8	173.2	-67.9	99.8	0	0	0	110.1	H362 R367 I436 N447	W360-H362 PolarHBondContact O-N 3.4Å; W360-R367 HydrophobicContact CD2-CG 3.84Å; W360-R367 VanDerWaalsContact CE2-NH1 3.28Å; W360-R367 HydrophobicContact CE3-CG 3.7Å; W360-R367 HydrophobicContact CH2-CG 4.08Å; W360-R367 HydrophobicContact CZ2-CG 4.21Å; W360-R367 HydrophobicContact CZ3-CG 3.82Å; W360-I436 HydrophobicContact CH2-CB 3.95Å; W360-I436 HydrophobicContact CH2-CG1 3.8Å; W360-I436 HydrophobicContact CH2-CG2 4.06Å; W360-I436 HydrophobicContact CZ3-CB 4.07Å; W360-I436 HydrophobicContact CZ3-CG1 3.82Å; W360-N447 WeakPolarHBondContact CH2-OD1 3.26Å; W360-N447 WeakPolarHBondContact CZ2-OD1 3.17Å
361	L	89.5	Confident	90.9	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	23%	0.228	C	C	.	.			trans	-80.6	104.1	180	-171.5	63.6	0	0	0	109.5	Y359 S364 Y366 L411 L433 I530 L531	Y359-L361 HydrophobicContact CE2-CD1 4.23Å; L361-S364 WeakPolarHBondContact O-CB 3.48Å; L361-S364 PolarHBondContact O-N 2.89Å; L361-S364 PolarHBondContact O-OG 3.17Å; L361-Y366 PolarHBondContact N-O 2.81Å; L361-L411 HydrophobicContact CD2-CD1 4.05Å; L361-L433 HydrophobicContact CB-CD1 4.41Å; L361-L433 HydrophobicContact CD2-CD1 3.7Å; L361-L433 HydrophobicContact CD2-CD2 4.46Å; L361-I530 HydrophobicContact CB-CD1 4.39Å; L361-I530 HydrophobicContact CD2-CD1 3.77Å; L361-I530 HydrophobicContact CD2-CG1 4.27Å; L361-I530 HydrophobicContact CG-CD1 4.26Å; L361-L531 HydrophobicContact CD2-CD2 3.81Å; L361-L531 HydrophobicContact CD2-CG 4.3Å
362	H	80.8	Confident	91.1	Very high	127 Å²	127	47.9 Å²	47.9	59%	0.588	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	-145.4	-175.4	-53.6	-62	0	0	0	111.9	W360 S364	W360-H362 PolarHBondContact O-N 3.4Å; H362-S364 PolarHBondContact O-N 3.36Å
363	N	77.7	Confident	90.8	Very high	175 Å²	175	44.5 Å²	44.5	94%	0.936	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	38	177.2	-65.9	-12.5	0	0	0	111.9
364	S	84.9	Confident	90.2	Very high	18 Å²	18	45.3 Å²	45.3	13%	0.126	22%	0.221	C	C	.	.	S	Bend	trans	-104.1	168.6	-178	77.8	0	0	0	0	112.5	L361 H362 Y366 I530	L361-S364 WeakPolarHBondContact O-CB 3.48Å; L361-S364 PolarHBondContact O-N 2.89Å; L361-S364 PolarHBondContact O-OG 3.17Å; H362-S364 PolarHBondContact O-N 3.36Å; S364-Y366 PolarHBondContact O-N 2.85Å; S364-Y366 PolarHBondContact OG-N 3.17Å; S364-I530 WeakPolarHBondContact OG-CD1 3.46Å
365	C	89.2	Confident	89.1	Confident	30 Å²	30	43.1 Å²	43.1	20%	0.203	21%	0.214	C	C	.	.	S	Bend	trans	-78	15.3	170.5	57	0	0	0	0	114.1	K435 I436	C365-K435 VanDerWaalsContact SG-CE 3.6Å; C365-I436 PolarHBondContact O-N 2.86Å
366	Y	93.4	Very high	88	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.1	-177.1	-71.7	-103.7	0	0	0	112.8	L361 S364 L433 I434 K435 I530	L361-Y366 PolarHBondContact N-O 2.81Å; S364-Y366 PolarHBondContact O-N 2.85Å; S364-Y366 PolarHBondContact OG-N 3.17Å; Y366-L433 HydrophobicContact CD1-CD1 4.06Å; Y366-L433 HydrophobicContact CD1-CD2 4.3Å; Y366-L433 HydrophobicContact CD1-CG 3.73Å; Y366-L433 HydrophobicContact CE1-CG 4.41Å; Y366-L433 HydrophobicContact CG-CD1 4.29Å; Y366-L433 HydrophobicContact CG-CG 4.42Å; Y366-I434 CarbonylContact C-O 3.55Å; Y366-I434 WeakPolarHBondContact CA-O 3.43Å; Y366-K435 HydrophobicContact CD1-CB 3.86Å; Y366-K435 HydrophobicContact CE1-CB 3.59Å; Y366-K435 HydrophobicContact CE1-CD 4.39Å; Y366-K435 HydrophobicContact CE1-CG 4.31Å; Y366-K435 HydrophobicContact CE2-CB 4.32Å; Y366-K435 HydrophobicContact CE2-CD 3.94Å; Y366-K435 HydrophobicContact CE2-CG 4.15Å; Y366-K435 HydrophobicContact CG-CB 4.39Å; Y366-I530 HydrophobicContact CD1-CG1 4.44Å; Y366-I530 HydrophobicContact CD2-CB 4.09Å; Y366-I530 HydrophobicContact CD2-CD1 3.62Å; Y366-I530 HydrophobicContact CD2-CG1 3.79Å; Y366-I530 HydrophobicContact CE2-CB 3.94Å; Y366-I530 HydrophobicContact CE2-CD1 4.34Å; Y366-I530 HydrophobicContact CE2-CG1 4.07Å; Y366-I530 HydrophobicContact CE2-CG2 4.4Å; Y366-I530 HydrophobicContact CG-CD1 3.83Å; Y366-I530 HydrophobicContact CG-CG1 3.98Å
367	R	93.7	Very high	86.8	Confident	16 Å²	16	47.4 Å²	47.4	6%	0.06	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.3	167.9	-67.6	179.3	70.2	76.9	-6.1	110	S358 Y359 W360 I434 I436 V446 L449	S358-R367 PolarHBondContact OG-NH2 3.25Å; Y359-R367 CarbonylContact O-C 3.56Å; Y359-R367 WeakPolarHBondContact O-CA 3.39Å; W360-R367 HydrophobicContact CD2-CG 3.84Å; W360-R367 VanDerWaalsContact CE2-NH1 3.28Å; W360-R367 HydrophobicContact CE3-CG 3.7Å; W360-R367 HydrophobicContact CH2-CG 4.08Å; W360-R367 HydrophobicContact CZ2-CG 4.21Å; W360-R367 HydrophobicContact CZ3-CG 3.82Å; R367-I434 PolarHBondContact N-O 2.89Å; R367-I434 PolarHBondContact O-N 3.5Å; R367-I436 HydrophobicContact CB-CD1 4.46Å; R367-I436 HydrophobicContact CB-CG1 4.39Å; R367-I436 HydrophobicContact CG-CD1 4.14Å; R367-I436 HydrophobicContact CG-CG1 3.74Å; R367-V446 PolarHBondContact NE-O 3.3Å; R367-L449 PolarHBondContact NH2-O 3.19Å
368	L	94.9	Very high	85.8	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.6	167.1	-167.4	77.9	0	0	0	108.8	S358 Y359 V407 L411 C431 L432 L433	S358-L368 WeakPolarHBondContact CA-O 3.37Å; Y359-L368 HydrophobicContact CE1-CB 4.4Å; Y359-L368 HydrophobicContact CE1-CD2 3.96Å; Y359-L368 HydrophobicContact CE2-CB 4.25Å; Y359-L368 HydrophobicContact CE2-CD2 4.3Å; Y359-L368 PolarHBondContact N-O 2.96Å; Y359-L368 VanDerWaalsContact N-O 3.15Å; Y359-L368 PolarHBondContact O-N 2.8Å; Y359-L368 WeakPolarHBondContact OH-CD2 3.33Å; L368-V407 HydrophobicContact CD1-CG2 3.87Å; L368-L411 HydrophobicContact CD1-CD1 3.77Å; L368-C431 HydrophobicContact CD1-CB 4.23Å; L368-L432 WeakPolarHBondContact CA-O 3.32Å; L368-L433 HydrophobicContact CD1-CB 4.14Å; L368-L433 HydrophobicContact CD1-CD1 4.08Å
369	L	95.4	Very high	84.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.7	171.5	-57.5	-173.9	0	0	0	109.4	I355 E357 S358 I371 C431 L432 I434 V446 L449 I455	I355-L369 HydrophobicContact CD1-CD1 4.48Å; E357-L369 WeakPolarHBondContact O-CA 3.42Å; S358-L369 WeakPolarHBondContact OG-CD2 3.39Å; L369-I371 HydrophobicContact CB-CD1 4.25Å; L369-I371 HydrophobicContact CB-CG1 4.18Å; L369-C431 CarbonylContact O-C 3.53Å; L369-C431 VanDerWaalsContact O-CA 3.22Å; L369-C431 WeakPolarHBondContact O-CA 3.45Å; L369-L432 PolarHBondContact N-O 3.29Å; L369-L432 PolarHBondContact O-N 3.23Å; L369-I434 HydrophobicContact CD1-CD1 3.85Å; L369-I434 HydrophobicContact CG-CD1 4.41Å; L369-V446 HydrophobicContact CD1-CG1 4.23Å; L369-L449 HydrophobicContact CD1-CD1 4.04Å; L369-I455 HydrophobicContact CD1-CD1 4.42Å
370	C	94.1	Very high	83.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.5	169.8	-60.1	0	0	0	0	108.3	I356 E357 C431	I356-C370 HydrophobicContact CB-CB 4.32Å; I356-C370 PolarHBondContact N-O 2.84Å; E357-C370 HydrophobicContact CB-CB 3.85Å; E357-C370 HydrophobicContact CG-CB 4.32Å; E357-C370 PolarHBondContact N-O 2.82Å; E357-C370 PolarHBondContact O-N 2.9Å; E357-C370 PolarHBondContact OE2-SG 3.41Å; E357-C370 VanDerWaalsContact OE2-SG 3.39Å; C370-C431 PolarHBondContact SG-SG 3.4Å
371	I	93.3	Very high	82.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.2	-168.7	-58.8	168.2	0	0	0	109.8	C353 L369 K429 F430 L432 I455	C353-I371 HydrophobicContact CB-CG2 3.4Å; C353-I371 VanDerWaalsContact CB-CG2 3.4Å; L369-I371 HydrophobicContact CB-CD1 4.25Å; L369-I371 HydrophobicContact CB-CG1 4.18Å; I371-K429 CarbonylContact O-C 3.58Å; I371-K429 WeakPolarHBondContact O-CA 3.37Å; I371-K429 VanDerWaalsContact O-CB 3.26Å; I371-K429 WeakPolarHBondContact O-CB 3.22Å; I371-F430 HydrophobicContact CB-CD1 4.46Å; I371-F430 HydrophobicContact CB-CE1 3.97Å; I371-F430 HydrophobicContact CB-CE2 4.14Å; I371-F430 HydrophobicContact CB-CZ 3.79Å; I371-F430 HydrophobicContact CD1-CE2 3.83Å; I371-F430 HydrophobicContact CD1-CZ 4.01Å; I371-F430 HydrophobicContact CG2-CE1 3.76Å; I371-F430 HydrophobicContact CG2-CE2 4.42Å; I371-F430 HydrophobicContact CG2-CZ 3.62Å; I371-F430 PolarHBondContact N-O 2.83Å; I371-F430 PolarHBondContact O-N 3.42Å; I371-L432 HydrophobicContact CD1-CD1 3.65Å; I371-L432 HydrophobicContact CD1-CG 3.9Å; I371-I455 HydrophobicContact CD1-CG2 4.04Å; I371-I455 HydrophobicContact CG1-CG2 4.42Å; I371-I455 HydrophobicContact CG2-CG2 4.24Å
372	N	88.5	Confident	82.1	Confident	52 Å²	52	34.2 Å²	34.2	28%	0.278	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.6	172.1	-157.4	31.4	0	0	0	110.4	C353 H354 I356 K428	C353-N372 WeakPolarHBondContact CB-O 3.33Å; H354-N372 PolarHBondContact N-O 2.98Å; H354-N372 PolarHBondContact O-N 3.4Å; I356-N372 HydrophobicContact CD1-CB 3.87Å; I356-N372 HydrophobicContact CG1-CB 3.93Å; N372-K428 PolarHBondContact OD1-O 3.08Å
373	W	85	Confident	81.7	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.008	16%	0.157	C	C	.	.			trans	-61.9	147.2	163.8	-70.9	118.2	0	0	0	110	Y351 V375 V378 I380 I382 K428 F430 V457	Y351-W373 HydrophobicContact CD2-CZ3 4.32Å; W373-V375 VanDerWaalsContact C-N 3.27Å; W373-V375 PolarHBondContact O-N 3.1Å; W373-V378 HydrophobicContact CB-CG1 4.18Å; W373-V378 HydrophobicContact CD2-CG1 4.36Å; W373-V378 HydrophobicContact CE3-CG1 3.92Å; W373-I380 HydrophobicContact CH2-CD1 3.92Å; W373-I380 HydrophobicContact CZ2-CB 4.11Å; W373-I380 HydrophobicContact CZ2-CD1 3.95Å; W373-I380 HydrophobicContact CZ2-CG1 4.27Å; W373-I380 HydrophobicContact CZ3-CD1 4.22Å; W373-I380 PolarHBondContact NE1-O 3.13Å; W373-I382 HydrophobicContact CZ2-CD1 3.84Å; W373-I382 HydrophobicContact CZ2-CG1 4.03Å; W373-K428 PolarHBondContact N-O 3.18Å; W373-F430 HydrophobicContact CD2-CD1 4.26Å; W373-F430 AromaticContact CD2-CE1 3.79Å; W373-F430 HydrophobicContact CD2-CE1 3.79Å; W373-F430 AromaticContact CE2-CD1 3.64Å; W373-F430 AromaticContact CE2-CE1 3.47Å; W373-F430 VanDerWaalsContact CE2-CE1 3.47Å; W373-F430 HydrophobicContact CE3-CE1 4.24Å; W373-F430 HydrophobicContact CG-CD1 4.47Å; W373-F430 HydrophobicContact CG-CE1 4.3Å; W373-F430 HydrophobicContact CH2-CE1 4.12Å; W373-F430 HydrophobicContact CH2-CZ 4.38Å; W373-F430 HydrophobicContact CZ2-CD1 4Å; W373-F430 AromaticContact CZ2-CE1 3.67Å; W373-F430 HydrophobicContact CZ2-CE1 3.67Å; W373-F430 HydrophobicContact CZ2-CZ 4.25Å; W373-F430 HydrophobicContact CZ3-CE1 4.38Å; W373-F430 AromaticContact NE1-CD1 3.5Å; W373-F430 AromaticContact NE1-CE1 3.81Å; W373-V457 HydrophobicContact CH2-CB 4.41Å; W373-V457 HydrophobicContact CH2-CG1 3.89Å; W373-V457 HydrophobicContact CZ3-CB 4.22Å; W373-V457 HydrophobicContact CZ3-CG1 4.21Å
374	P	80.4	Confident	81.8	Confident	17 Å²	17	20.2 Å²	20.2	11%	0.11	11%	0.113	C	C	.	.			trans	-69.3	89.9	169.1	27.4	-29.6	0	0	0	108.7	Y351 T376 E377 V378	Y351-P374 HydrophobicContact CD1-CG 4.28Å; P374-T376 PolarHBondContact O-N 2.72Å; P374-E377 HydrophobicContact CB-CB 4.4Å; P374-E377 HydrophobicContact CG-CB 4.32Å; P374-E377 PolarHBondContact O-N 2.74Å; P374-V378 HydrophobicContact CG-CG1 3.83Å; P374-V378 PolarHBondContact O-N 2.96Å
375	V	68.8	Low	81.5	Confident	59 Å²	59	19.6 Å²	19.6	36%	0.358	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.3	-173.9	-66.1	0	0	0	0	114.3	L237 W373 E377 K428	L237-V375 WeakPolarHBondContact CD1-O 3.29Å; W373-V375 VanDerWaalsContact C-N 3.27Å; W373-V375 PolarHBondContact O-N 3.1Å; V375-E377 VanDerWaalsContact C-N 3.34Å; V375-K428 HydrophobicContact CG1-CB 4.02Å; V375-K428 HydrophobicContact CG1-CD 4.1Å; V375-K428 HydrophobicContact CG1-CG 3.88Å
376	T	71.2	Confident	81.1	Confident	74 Å²	74	18.4 Å²	18.4	45%	0.454	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-17	173.4	48.6	0	0	0	0	113.6	P374	P374-T376 PolarHBondContact O-N 2.72Å
377	E	69.1	Low	80.6	Confident	92 Å²	92	19.1 Å²	19.1	43%	0.43	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-36.4	-173	-64.3	175.3	-154.1	0	0	111.9	T195 W196 P374 V375	T195-E377 WeakPolarHBondContact CA-O 3.45Å; W196-E377 PolarHBondContact N-O 2.86Å; P374-E377 HydrophobicContact CB-CB 4.4Å; P374-E377 HydrophobicContact CG-CB 4.32Å; P374-E377 PolarHBondContact O-N 2.74Å; V375-E377 VanDerWaalsContact C-N 3.34Å
378	V	72.7	Confident	80.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	143.5	-168.2	74.3	0	0	0	0	112.5	L193 T195 Y351 W373 P374 I380	L193-V378 HydrophobicContact CD1-CG2 4.01Å; T195-V378 HydrophobicContact CG2-CG2 3.93Å; Y351-V378 HydrophobicContact CD1-CB 4.08Å; Y351-V378 HydrophobicContact CD1-CG1 3.8Å; Y351-V378 HydrophobicContact CD2-CG1 4.47Å; Y351-V378 HydrophobicContact CE1-CB 3.78Å; Y351-V378 HydrophobicContact CE1-CG1 4.05Å; Y351-V378 HydrophobicContact CE1-CG2 4.11Å; Y351-V378 HydrophobicContact CE2-CG2 4.19Å; Y351-V378 HydrophobicContact CG-CG1 4.02Å; W373-V378 HydrophobicContact CB-CG1 4.18Å; W373-V378 HydrophobicContact CD2-CG1 4.36Å; W373-V378 HydrophobicContact CE3-CG1 3.92Å; P374-V378 HydrophobicContact CG-CG1 3.83Å; P374-V378 PolarHBondContact O-N 2.96Å; V378-I380 HydrophobicContact CG2-CD1 3.54Å; V378-I380 HydrophobicContact CG2-CG1 3.46Å; V378-I380 VanDerWaalsContact CG2-CG1 3.46Å
379	T	70.4	Confident	79.8	Confident	4 Å²	4	19 Å²	19	3%	0.025	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	121.4	168	-68.8	0	0	0	0	107.9	C194 L237 A427	C194-T379 PolarHBondContact N-O 3.07Å; C194-T379 PolarHBondContact O-N 3.41Å; L237-T379 WeakPolarHBondContact CB-OG1 3.25Å; T379-A427 HydrophobicContact CG2-CB 3.86Å
380	I	71.7	Confident	79.5	Confident	3 Å²	3	19 Å²	19	2%	0.015	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	126.1	-173.1	-39.5	-172	0	0	0	107.4	L193 W373 V378 L459 P460	L193-I380 HydrophobicContact CD1-CB 4.37Å; L193-I380 HydrophobicContact CD1-CD1 3.54Å; L193-I380 HydrophobicContact CD1-CG1 3.47Å; L193-I380 VanDerWaalsContact CD1-CG1 3.47Å; L193-I380 HydrophobicContact CD1-CG2 4.32Å; W373-I380 HydrophobicContact CH2-CD1 3.92Å; W373-I380 HydrophobicContact CZ2-CB 4.11Å; W373-I380 HydrophobicContact CZ2-CD1 3.95Å; W373-I380 HydrophobicContact CZ2-CG1 4.27Å; W373-I380 HydrophobicContact CZ3-CD1 4.22Å; W373-I380 PolarHBondContact NE1-O 3.13Å; V378-I380 HydrophobicContact CG2-CD1 3.54Å; V378-I380 HydrophobicContact CG2-CG1 3.46Å; V378-I380 VanDerWaalsContact CG2-CG1 3.46Å; I380-L459 HydrophobicContact CD1-CD2 3.31Å; I380-P460 HydrophobicContact CG2-CG 3.71Å
381	N	71	Confident	79.2	Confident	44 Å²	44	21.5 Å²	21.5	24%	0.235	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-91.4	121.3	160.7	-155.8	-14.6	0	0	0	107.8	L190 P383 A427	L190-N381 HydrophobicContact CD2-CB 4.27Å; L190-N381 WeakPolarHBondContact CD2-ND2 3.5Å; L190-N381 VanDerWaalsContact CD2-OD1 3.25Å; L190-N381 WeakPolarHBondContact CD2-OD1 3.37Å; N381-P383 WeakPolarHBondContact O-CD 3.48Å; N381-A427 HydrophobicContact CB-CB 4.4Å
382	I	77.1	Confident	79	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.026	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-80.2	119.9	-175	-53.1	172.3	0	0	0	107.7	W373 V388 P406 F430 P460 R499	W373-I382 HydrophobicContact CZ2-CD1 3.84Å; W373-I382 HydrophobicContact CZ2-CG1 4.03Å; I382-V388 HydrophobicContact CD1-CG1 3.91Å; I382-P406 HydrophobicContact CB-CG 4.15Å; I382-P406 HydrophobicContact CD1-CB 4.19Å; I382-P406 HydrophobicContact CD1-CG 3.43Å; I382-P406 VanDerWaalsContact CD1-CG 3.43Å; I382-P406 HydrophobicContact CG1-CG 4.38Å; I382-P406 HydrophobicContact CG2-CG 3.79Å; I382-F430 HydrophobicContact CD1-CB 3.9Å; I382-F430 HydrophobicContact CD1-CD1 4.07Å; I382-F430 HydrophobicContact CD1-CD2 3.77Å; I382-F430 HydrophobicContact CD1-CE2 4.32Å; I382-F430 HydrophobicContact CD1-CG 3.63Å; I382-P460 HydrophobicContact CB-CG 4.26Å; I382-P460 HydrophobicContact CG1-CG 4.04Å; I382-P460 HydrophobicContact CG2-CB 3.99Å; I382-P460 HydrophobicContact CG2-CG 3.89Å; I382-R499 PolarHBondContact O-NH1 2.87Å; I382-R499 PolarHBondContact O-NH2 2.94Å
383	P	74.2	Confident	78.9	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.026	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-60.1	148.3	-178.9	-16	25.7	0	0	0	112.3	L190 R191 N381 G385 Y386	L190-P383 HydrophobicContact CB-CB 4.19Å; L190-P383 WeakPolarHBondContact O-CG 3.05Å; R191-P383 HydrophobicContact CG-CG 4.44Å; N381-P383 WeakPolarHBondContact O-CD 3.48Å; P383-G385 PolarHBondContact O-N 3.34Å; P383-Y386 HydrophobicContact CB-CD2 3.55Å; P383-Y386 HydrophobicContact CB-CE2 3.88Å; P383-Y386 HydrophobicContact CB-CG 3.94Å; P383-Y386 HydrophobicContact CG-CD1 4.21Å; P383-Y386 HydrophobicContact CG-CD2 4.07Å; P383-Y386 HydrophobicContact CG-CE1 4.44Å; P383-Y386 HydrophobicContact CG-CE2 4.31Å; P383-Y386 HydrophobicContact CG-CG 4.01Å; P383-Y386 WeakPolarHBondContact O-CB 3.25Å; P383-Y386 PolarHBondContact O-N 3.23Å
384	I	77.9	Confident	78.8	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.9	172.4	-69.5	-165.9	0	0	0	109.2	L187 L190 Y386 F464 R499 I500 Y503	L187-I384 HydrophobicContact CD2-CB 3.61Å; L187-I384 HydrophobicContact CD2-CD1 3.43Å; L187-I384 VanDerWaalsContact CD2-CD1 3.43Å; L187-I384 HydrophobicContact CD2-CG1 3.54Å; L187-I384 HydrophobicContact CD2-CG2 4.42Å; L187-I384 HydrophobicContact CG-CD1 4.45Å; L190-I384 HydrophobicContact CD1-CB 4.42Å; L190-I384 HydrophobicContact CD1-CG1 3.77Å; I384-Y386 VanDerWaalsContact C-N 3.27Å; I384-Y386 PolarHBondContact O-N 3.26Å; I384-F464 HydrophobicContact CG2-CE1 4.28Å; I384-F464 VanDerWaalsContact O-CD1 3.24Å; I384-F464 WeakPolarHBondContact O-CD1 3.33Å; I384-R499 HydrophobicContact CD1-CB 4.07Å; I384-R499 HydrophobicContact CG1-CB 4.17Å; I384-R499 HydrophobicContact CG2-CB 4.45Å; I384-I500 HydrophobicContact CG2-CD1 4.33Å; I384-I500 HydrophobicContact CG2-CG1 3.48Å; I384-I500 VanDerWaalsContact CG2-CG1 3.48Å; I384-Y503 HydrophobicContact CD1-CD2 4.32Å; I384-Y503 HydrophobicContact CD1-CG 4.09Å
385	G	78.8	Confident	78.9	Confident	4 Å²	4	32.5 Å²	32.5	4%	0.041	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1.5	-179.6	0	0	0	0	0	115.5	P383	P383-G385 PolarHBondContact O-N 3.34Å
386	Y	81.3	Confident	79.6	Confident	6 Å²	6	37.1 Å²	37.1	2%	0.024	19%	0.194	C	C	.	.			trans	-92.2	148.8	173	-74.5	-124.7	0	0	0	109.7	Q139 R191 P383 I384 P406 P460 I461 G462 F464	Q139-Y386 PolarHBondContact OE1-OH 3.02Å; R191-Y386 PolarHBondContact NH1-OH 3.2Å; P383-Y386 HydrophobicContact CB-CD2 3.55Å; P383-Y386 HydrophobicContact CB-CE2 3.88Å; P383-Y386 HydrophobicContact CB-CG 3.94Å; P383-Y386 HydrophobicContact CG-CD1 4.21Å; P383-Y386 HydrophobicContact CG-CD2 4.07Å; P383-Y386 HydrophobicContact CG-CE1 4.44Å; P383-Y386 HydrophobicContact CG-CE2 4.31Å; P383-Y386 HydrophobicContact CG-CG 4.01Å; P383-Y386 WeakPolarHBondContact O-CB 3.25Å; P383-Y386 PolarHBondContact O-N 3.23Å; I384-Y386 VanDerWaalsContact C-N 3.27Å; I384-Y386 PolarHBondContact O-N 3.26Å; Y386-P406 VanDerWaalsContact O-CD 3.29Å; Y386-P406 WeakPolarHBondContact O-CD 3.26Å; Y386-P460 HydrophobicContact CD1-CB 4.17Å; Y386-I461 CarbonylContact C-O 2.97Å; Y386-I461 WeakPolarHBondContact CA-O 3.3Å; Y386-I461 WeakPolarHBondContact CB-O 3.44Å; Y386-G462 WeakPolarHBondContact CE1-O 3.21Å; Y386-G462 VanDerWaalsContact CZ-O 3.3Å; Y386-G462 PolarHBondContact OH-O 3.19Å; Y386-F464 HydrophobicContact CD2-CB 4.35Å; Y386-F464 HydrophobicContact CE2-CB 4.27Å
387	H	84	Confident	80.1	Confident	14 Å²	14	35.6 Å²	35.6	7%	0.065	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-106.8	165.4	173.4	51.9	-90.9	0	0	0	110.5	Y404 P460 I461 K627	H387-Y404 CarbonylContact C-O 3.55Å; H387-Y404 VanDerWaalsContact CA-O 3.28Å; H387-Y404 WeakPolarHBondContact CA-O 3.42Å; H387-Y404 WeakPolarHBondContact CB-O 3.42Å; H387-P460 CarbonylContact O-C 3.51Å; H387-P460 WeakPolarHBondContact O-CA 3.35Å; H387-I461 PolarHBondContact CE1-O 3.1Å; H387-I461 VanDerWaalsContact CE1-O 3.29Å; H387-I461 PolarHBondContact N-O 2.92Å; H387-I461 PolarHBondContact ND1-O 2.89Å; H387-I461 VanDerWaalsContact ND1-O 3.17Å; H387-I461 WeakPolarHBondContact NE2-CB 3.45Å; H387-I461 WeakPolarHBondContact NE2-CG2 3.36Å; H387-I461 PolarHBondContact O-N 3.09Å; H387-K627 PolarHBondContact CE1-O 3.16Å; H387-K627 PolarHBondContact ND1-O 2.9Å
388	V	85.2	Confident	80.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.4	166.8	-69.8	0	0	0	0	108.1	I382 V390 Y404 P406 F430 L432 V457 P460	I382-V388 HydrophobicContact CD1-CG1 3.91Å; V388-V390 HydrophobicContact CG2-CG2 4.28Å; V388-Y404 PolarHBondContact N-O 3.09Å; V388-Y404 PolarHBondContact O-N 3.12Å; V388-P406 HydrophobicContact CG2-CG 4.44Å; V388-F430 HydrophobicContact CG2-CE2 4.36Å; V388-L432 HydrophobicContact CG2-CD2 4.13Å; V388-V457 HydrophobicContact CB-CG1 3.65Å; V388-V457 HydrophobicContact CG1-CG1 4.12Å; V388-V457 HydrophobicContact CG2-CG1 3.67Å; V388-P460 HydrophobicContact CG1-CG 4.42Å
389	N	86	Confident	81.1	Confident	15 Å²	15	37 Å²	37	8%	0.08	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.4	168	-72	-21.4	0	0	0	108.5	E348 F350 I401 V457 S458 I461	E348-N389 VanDerWaalsContact CD-ND2 3.26Å; E348-N389 PolarHBondContact OE1-ND2 3.2Å; E348-N389 VanDerWaalsContact OE1-ND2 3.08Å; E348-N389 PolarHBondContact OE2-ND2 3.43Å; F350-N389 HydrophobicContact CE1-CB 3.9Å; F350-N389 WeakPolarHBondContact CE1-O 3.25Å; F350-N389 HydrophobicContact CZ-CB 3.97Å; N389-I401 HydrophobicContact CB-CG2 3.89Å; N389-V457 CarbonylContact O-C 3.52Å; N389-V457 WeakPolarHBondContact O-CA 3.48Å; N389-S458 PolarHBondContact N-OG 2.94Å; N389-S458 PolarHBondContact O-N 2.9Å; N389-I461 WeakPolarHBondContact ND2-CD1 3.47Å
390	V	89.4	Confident	81.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	178.2	-177.8	0	0	0	0	107.4	V388 I401 R402 Y404 L432 F442 I455 E456 V457	V388-V390 HydrophobicContact CG2-CG2 4.28Å; V390-I401 CarbonylContact O-C 3.12Å; V390-I401 VanDerWaalsContact O-CA 3.31Å; V390-I401 WeakPolarHBondContact O-CA 3.43Å; V390-R402 PolarHBondContact N-O 3.19Å; V390-R402 PolarHBondContact O-N 2.73Å; V390-Y404 HydrophobicContact CB-CD2 3.81Å; V390-Y404 HydrophobicContact CB-CE2 4.09Å; V390-Y404 HydrophobicContact CG2-CD2 3.6Å; V390-Y404 HydrophobicContact CG2-CE2 4.34Å; V390-L432 HydrophobicContact CG2-CD1 3.63Å; V390-F442 HydrophobicContact CB-CZ 4.12Å; V390-F442 HydrophobicContact CG1-CZ 3.8Å; V390-I455 HydrophobicContact CG1-CD1 3.15Å; V390-I455 HydrophobicContact CG1-CG1 3.43Å; V390-I455 VanDerWaalsContact CG1-CG1 3.43Å; V390-E456 WeakPolarHBondContact CA-O 3.09Å; V390-V457 HydrophobicContact CG2-CG2 4.43Å
391	R	87.8	Confident	81.8	Confident	52 Å²	52	40.6 Å²	40.6	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	177.2	73	-177.6	-173.8	-171.3	0.3	112.4	F350 Y399 V400 I401 E456	F350-R391 HydrophobicContact CD1-CB 4.46Å; F350-R391 HydrophobicContact CD1-CG 3.71Å; F350-R391 HydrophobicContact CE1-CB 4.09Å; F350-R391 HydrophobicContact CE1-CG 3.81Å; F350-R391 HydrophobicContact CG-CG 4.19Å; F350-R391 HydrophobicContact CZ-CG 4.36Å; R391-Y399 HydrophobicContact CB-CD1 4.06Å; R391-Y399 HydrophobicContact CG-CD1 3.72Å; R391-Y399 HydrophobicContact CG-CE1 4.01Å; R391-Y399 HydrophobicContact CG-CG 4.47Å; R391-V400 VanDerWaalsContact CA-O 3.26Å; R391-V400 WeakPolarHBondContact CA-O 3.34Å; R391-I401 HydrophobicContact CB-CB 4.28Å; R391-I401 HydrophobicContact CB-CD1 4.31Å; R391-I401 HydrophobicContact CB-CG1 3.7Å; R391-I401 HydrophobicContact CB-CG2 4.31Å; R391-E456 HydrophobicContact CG-CB 3.56Å; R391-E456 IonicContact CZ-OE2 2.93Å; R391-E456 PolarHBondContact N-O 3.22Å; R391-E456 IonicContact NE-OE2 2.81Å; R391-E456 PolarHBondContact NE-OE2 3.29Å; R391-E456 IonicContact NH2-OE2 3.81Å; R391-E456 PolarHBondContact NH2-OE2 3.49Å; R391-E456 PolarHBondContact O-N 3.15Å
392	L	88.6	Confident	82.3	Confident	22 Å²	22	40.1 Å²	40.1	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.9	174.8	-70.5	167.3	0	0	0	108.1	Y399 V400 F442 L445 V446 L449 I455	L392-Y399 CarbonylContact O-C 3.59Å; L392-Y399 WeakPolarHBondContact O-CA 3.37Å; L392-V400 PolarHBondContact N-O 3.07Å; L392-V400 VanDerWaalsContact N-O 3.1Å; L392-V400 PolarHBondContact O-N 2.87Å; L392-F442 HydrophobicContact CB-CE2 4.21Å; L392-F442 HydrophobicContact CD1-CE2 4.16Å; L392-F442 HydrophobicContact CD1-CZ 4Å; L392-F442 HydrophobicContact CG-CE2 4.26Å; L392-F442 HydrophobicContact CG-CZ 4.32Å; L392-L445 HydrophobicContact CB-CB 4.31Å; L392-L445 HydrophobicContact CB-CD1 3.86Å; L392-L445 HydrophobicContact CD1-CB 3.76Å; L392-V446 HydrophobicContact CD1-CG2 3.99Å; L392-L449 HydrophobicContact CD1-CD1 3.92Å; L392-L449 HydrophobicContact CD2-CD2 4.33Å; L392-I455 HydrophobicContact CD1-CD1 4.46Å; L392-I455 HydrophobicContact CD2-CB 4.43Å; L392-I455 HydrophobicContact CD2-CD1 4.41Å; L392-I455 HydrophobicContact CD2-CG1 3.86Å; L392-I455 HydrophobicContact CG-CD1 4.48Å; L392-I455 HydrophobicContact CG-CG1 4.24Å
393	K	85.4	Confident	82.7	Confident	117 Å²	117	41.2 Å²	41.2	51%	0.509	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135	172	-67.1	-179.9	-177.5	173.9	0	109.7	N398 Y399	K393-N398 CarbonylContact C-O 3.47Å; K393-N398 VanDerWaalsContact CA-O 3.28Å; K393-N398 WeakPolarHBondContact CA-O 3.26Å; K393-Y399 HydrophobicContact CD-CE1 4.27Å; K393-Y399 WeakPolarHBondContact CE-OH 3.03Å; K393-Y399 HydrophobicContact CG-CD1 3.8Å; K393-Y399 HydrophobicContact CG-CE1 3.63Å; K393-Y399 HydrophobicContact CG-CG 4.46Å
394	D	84.1	Confident	83.5	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.193	23%	0.225	C	C	.	.			trans	-75.7	-176.5	167.3	67.1	17.2	0	0	0	111.7	E396 G397 N398 V400 L445	D394-E396 PolarHBondContact O-N 3.06Å; D394-E396 WeakPolarHBondContact OD1-CA 3.5Å; D394-E396 WeakPolarHBondContact OD1-CB 3.36Å; D394-E396 PolarHBondContact OD1-N 2.81Å; D394-G397 PolarHBondContact O-N 3.08Å; D394-G397 PolarHBondContact OD1-N 2.83Å; D394-G397 VanDerWaalsContact OD1-N 3.09Å; D394-N398 PolarHBondContact N-O 3.27Å; D394-N398 WeakPolarHBondContact OD1-CB 3.37Å; D394-N398 PolarHBondContact OD1-N 2.88Å; D394-N398 WeakPolarHBondContact OD2-CB 3.39Å; D394-V400 HydrophobicContact CB-CG2 4.19Å; D394-L445 HydrophobicContact CB-CD1 4.44Å
395	S	82.8	Confident	84.2	Confident	128 Å²	128	43.2 Å²	43.2	90%	0.895	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.7	178.4	49.3	0	0	0	0	114.2
396	E	82.4	Confident	84.8	Confident	155 Å²	155	43.1 Å²	43.1	72%	0.724	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.6	177.4	-61.4	-178.7	-177	0	0	111.9	D394 N398	D394-E396 PolarHBondContact O-N 3.06Å; D394-E396 WeakPolarHBondContact OD1-CA 3.5Å; D394-E396 WeakPolarHBondContact OD1-CB 3.36Å; D394-E396 PolarHBondContact OD1-N 2.81Å; E396-N398 VanDerWaalsContact C-N 3.33Å; E396-N398 WeakPolarHBondContact CB-ND2 3.39Å; E396-N398 PolarHBondContact OE2-ND2 3.15Å
397	G	82.7	Confident	85.3	Confident	42 Å²	42	43.2 Å²	43.2	43%	0.433	23%	0.228	S	C	.	.	S	Bend	trans	84.7	6.7	-177.8	0	0	0	0	0	113.9	D394	D394-G397 PolarHBondContact O-N 3.08Å; D394-G397 PolarHBondContact OD1-N 2.83Å; D394-G397 VanDerWaalsContact OD1-N 3.09Å
398	N	80.4	Confident	85.4	Confident	40 Å²	40	43.2 Å²	43.2	21%	0.214	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-84.4	138	-177.6	-66.5	-40.5	0	0	0	111	Q72 K393 D394 E396 V400	Q72-N398 PolarHBondContact NE2-OD1 2.64Å; Q72-N398 VanDerWaalsContact NE2-OD1 3.15Å; Q72-N398 PolarHBondContact OE1-OD1 3.08Å; Q72-N398 VanDerWaalsContact OE1-OD1 3.06Å; K393-N398 CarbonylContact C-O 3.47Å; K393-N398 VanDerWaalsContact CA-O 3.28Å; K393-N398 WeakPolarHBondContact CA-O 3.26Å; D394-N398 PolarHBondContact N-O 3.27Å; D394-N398 WeakPolarHBondContact OD1-CB 3.37Å; D394-N398 PolarHBondContact OD1-N 2.88Å; D394-N398 WeakPolarHBondContact OD2-CB 3.39Å; E396-N398 VanDerWaalsContact C-N 3.33Å; E396-N398 WeakPolarHBondContact CB-ND2 3.39Å; E396-N398 PolarHBondContact OE2-ND2 3.15Å; N398-V400 PolarHBondContact O-N 3.13Å
399	Y	81.2	Confident	85.1	Confident	82 Å²	82	45.6 Å²	45.6	32%	0.322	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.2	176	-73.9	-67.8	0	0	0	111.7	R391 L392 K393 E456	R391-Y399 HydrophobicContact CB-CD1 4.06Å; R391-Y399 HydrophobicContact CG-CD1 3.72Å; R391-Y399 HydrophobicContact CG-CE1 4.01Å; R391-Y399 HydrophobicContact CG-CG 4.47Å; L392-Y399 CarbonylContact O-C 3.59Å; L392-Y399 WeakPolarHBondContact O-CA 3.37Å; K393-Y399 HydrophobicContact CD-CE1 4.27Å; K393-Y399 WeakPolarHBondContact CE-OH 3.03Å; K393-Y399 HydrophobicContact CG-CD1 3.8Å; K393-Y399 HydrophobicContact CG-CE1 3.63Å; K393-Y399 HydrophobicContact CG-CG 4.46Å; Y399-E456 WeakPolarHBondContact CE1-OE1 3.37Å; Y399-E456 PolarHBondContact OH-OE1 3.31Å
400	V	76.8	Confident	85	Confident	20 Å²	20	46.4 Å²	46.4	12%	0.121	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.6	164.8	-170.3	0	0	0	0	107.3	R391 L392 D394 N398 F442 L445	R391-V400 VanDerWaalsContact CA-O 3.26Å; R391-V400 WeakPolarHBondContact CA-O 3.34Å; L392-V400 PolarHBondContact N-O 3.07Å; L392-V400 VanDerWaalsContact N-O 3.1Å; L392-V400 PolarHBondContact O-N 2.87Å; D394-V400 HydrophobicContact CB-CG2 4.19Å; N398-V400 PolarHBondContact O-N 3.13Å; V400-F442 HydrophobicContact CB-CD2 3.95Å; V400-F442 HydrophobicContact CG1-CB 4Å; V400-F442 HydrophobicContact CG1-CD2 3.72Å; V400-F442 HydrophobicContact CG1-CG 4.35Å; V400-F442 VanDerWaalsContact O-CE2 3.24Å; V400-F442 WeakPolarHBondContact O-CE2 3.03Å; V400-L445 HydrophobicContact CB-CD1 4.22Å; V400-L445 HydrophobicContact CG2-CD1 4.14Å
401	I	79.9	Confident	84.9	Confident	62 Å²	62	47.3 Å²	47.3	32%	0.318	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.1	-172.6	-46.4	-171	0	0	0	110.4	F350 N389 V390 R391	F350-I401 HydrophobicContact CE1-CG2 4.47Å; F350-I401 HydrophobicContact CZ-CD1 4.23Å; F350-I401 HydrophobicContact CZ-CG2 4.19Å; N389-I401 HydrophobicContact CB-CG2 3.89Å; V390-I401 CarbonylContact O-C 3.12Å; V390-I401 VanDerWaalsContact O-CA 3.31Å; V390-I401 WeakPolarHBondContact O-CA 3.43Å; R391-I401 HydrophobicContact CB-CB 4.28Å; R391-I401 HydrophobicContact CB-CD1 4.31Å; R391-I401 HydrophobicContact CB-CG1 3.7Å; R391-I401 HydrophobicContact CB-CG2 4.31Å
402	R	81.9	Confident	84.9	Confident	35 Å²	35	48.1 Å²	48.1	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.8	174.2	-67.2	-64.2	178.6	-81	-4.5	112.5	S111 V390 Y404 F442	S111-R402 PolarHBondContact O-NH1 3.19Å; S111-R402 PolarHBondContact O-NH2 2.94Å; S111-R402 VanDerWaalsContact O-NH2 3.13Å; V390-R402 PolarHBondContact N-O 3.19Å; V390-R402 PolarHBondContact O-N 2.73Å; R402-Y404 HydrophobicContact CB-CD2 4.33Å; R402-Y404 HydrophobicContact CB-CE2 3.51Å; R402-Y404 WeakPolarHBondContact O-CD2 3.35Å; R402-F442 HydrophobicContact CB-CD1 4.04Å; R402-F442 HydrophobicContact CB-CD2 4.38Å; R402-F442 HydrophobicContact CB-CE1 4.1Å; R402-F442 HydrophobicContact CB-CE2 4.45Å; R402-F442 HydrophobicContact CB-CG 4.16Å; R402-F442 HydrophobicContact CB-CZ 4.31Å; R402-F442 HydrophobicContact CG-CB 3.68Å; R402-F442 HydrophobicContact CG-CD1 3.71Å; R402-F442 HydrophobicContact CG-CD2 3.82Å; R402-F442 HydrophobicContact CG-CE1 4.26Å; R402-F442 HydrophobicContact CG-CE2 4.36Å; R402-F442 HydrophobicContact CG-CG 3.44Å; R402-F442 VanDerWaalsContact CG-CG 3.44Å
403	P	85.6	Confident	84.8	Confident	27 Å²	27	48.5 Å²	48.5	18%	0.175	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.5	173.6	34.7	-38.2	0	0	0	110.7	G628	P403-G628 VanDerWaalsContact CB-C 3.49Å; P403-G628 WeakPolarHBondContact CB-OXT 3.38Å; P403-G628 WeakPolarHBondContact CG-OXT 2.97Å
404	Y	91.2	Very high	84.9	Confident	36 Å²	36	46.1 Å²	46.1	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.1	172.6	-66.9	-75.1	0	0	0	111.5	H387 V388 V390 R402 P406 L432 I434 F442	H387-Y404 CarbonylContact C-O 3.55Å; H387-Y404 VanDerWaalsContact CA-O 3.28Å; H387-Y404 WeakPolarHBondContact CA-O 3.42Å; H387-Y404 WeakPolarHBondContact CB-O 3.42Å; V388-Y404 PolarHBondContact N-O 3.09Å; V388-Y404 PolarHBondContact O-N 3.12Å; V390-Y404 HydrophobicContact CB-CD2 3.81Å; V390-Y404 HydrophobicContact CB-CE2 4.09Å; V390-Y404 HydrophobicContact CG2-CD2 3.6Å; V390-Y404 HydrophobicContact CG2-CE2 4.34Å; R402-Y404 HydrophobicContact CB-CD2 4.33Å; R402-Y404 HydrophobicContact CB-CE2 3.51Å; R402-Y404 WeakPolarHBondContact O-CD2 3.35Å; Y404-P406 WeakPolarHBondContact O-CD 3.28Å; Y404-L432 HydrophobicContact CD2-CD1 4.49Å; Y404-L432 HydrophobicContact CG-CD1 4.48Å; Y404-I434 HydrophobicContact CD1-CD1 4.33Å; Y404-I434 HydrophobicContact CD1-CG1 3.82Å; Y404-I434 HydrophobicContact CD2-CD1 4.41Å; Y404-I434 HydrophobicContact CE1-CB 4.11Å; Y404-I434 HydrophobicContact CE1-CD1 4.11Å; Y404-I434 HydrophobicContact CE1-CG1 3.7Å; Y404-I434 HydrophobicContact CE1-CG2 3.64Å; Y404-I434 HydrophobicContact CE2-CD1 4.15Å; Y404-I434 HydrophobicContact CG-CD1 4.47Å; Y404-I434 HydrophobicContact CG-CG1 4.35Å; Y404-F442 HydrophobicContact CE2-CD1 4.14Å; Y404-F442 AromaticContact CE2-CE1 3.43Å; Y404-F442 HydrophobicContact CE2-CE1 3.43Å; Y404-F442 VanDerWaalsContact CE2-CE1 3.43Å; Y404-F442 HydrophobicContact CE2-CZ 4.07Å; Y404-F442 AromaticContact CZ-CE1 3.73Å; Y404-F442 WeakPolarHBondContact OH-CD1 3.43Å; Y404-F442 WeakPolarHBondContact OH-CE1 3.49Å
405	T	91.9	Very high	84.7	Confident	15 Å²	15	44.6 Å²	44.6	9%	0.092	25%	0.25	C	C	.	.			trans	-86	122.4	171.2	-55.6	0	0	0	0	109.8	P496	T405-P496 HydrophobicContact CG2-CB 3.92Å
406	P	92.4	Very high	84.6	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	147.6	176.7	-22.3	33.3	0	0	0	112.7	I382 Y386 V388 Y404 F430 C431 L432 R499	I382-P406 HydrophobicContact CB-CG 4.15Å; I382-P406 HydrophobicContact CD1-CB 4.19Å; I382-P406 HydrophobicContact CD1-CG 3.43Å; I382-P406 VanDerWaalsContact CD1-CG 3.43Å; I382-P406 HydrophobicContact CG1-CG 4.38Å; I382-P406 HydrophobicContact CG2-CG 3.79Å; Y386-P406 VanDerWaalsContact O-CD 3.29Å; Y386-P406 WeakPolarHBondContact O-CD 3.26Å; V388-P406 HydrophobicContact CG2-CG 4.44Å; Y404-P406 WeakPolarHBondContact O-CD 3.28Å; P406-F430 HydrophobicContact CB-CD2 4.43Å; P406-F430 HydrophobicContact CG-CD2 4.38Å; P406-C431 CarbonylContact C-O 3.53Å; P406-C431 VanDerWaalsContact CA-O 3.23Å; P406-C431 WeakPolarHBondContact CA-O 3.37Å; P406-L432 HydrophobicContact CB-CD2 4.29Å; P406-L432 HydrophobicContact CG-CD2 4.13Å; P406-R499 WeakPolarHBondContact O-CD 3.5Å
407	V	91.8	Very high	84.5	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	170.3	178.8	-58.8	0	0	0	0	110.8	L368 L411 C431 L433 T495 L498	L368-V407 HydrophobicContact CD1-CG2 3.87Å; V407-L411 HydrophobicContact CB-CD2 4.21Å; V407-L411 HydrophobicContact CG2-CD1 4.23Å; V407-L411 HydrophobicContact CG2-CD2 4.33Å; V407-C431 HydrophobicContact CG2-CB 3.96Å; V407-C431 PolarHBondContact N-O 3.31Å; V407-L433 HydrophobicContact CG1-CB 3.96Å; V407-L433 HydrophobicContact CG2-CB 3.91Å; V407-T495 HydrophobicContact CG1-CG2 4.37Å; V407-L498 HydrophobicContact CB-CD1 4.38Å; V407-L498 HydrophobicContact CG1-CB 4.49Å; V407-L498 HydrophobicContact CG1-CD1 3.81Å
408	C	85.3	Confident	84	Confident	14 Å²	14	36.4 Å²	36.4	10%	0.095	19%	0.19	C	C	.	.			trans	-61.2	147.5	172.4	-58.5	0	0	0	0	110.8	D410 L411	C408-D410 VanDerWaalsContact C-N 3.33Å; C408-D410 WeakPolarHBondContact CB-O 3.43Å; C408-L411 HydrophobicContact CB-CD2 4.19Å
409	N	80.3	Confident	82.9	Confident	50 Å²	50	39.6 Å²	39.6	27%	0.267	21%	0.207	S	C	.	.	S	Bend	trans	-68.4	-35.6	175	175.2	86.1	0	0	0	112.2	K429 C431	N409-K429 VanDerWaalsContact CG-NZ 3.26Å; N409-K429 PolarHBondContact ND2-NZ 2.86Å; N409-K429 PolarHBondContact OD1-NZ 3.5Å; N409-C431 VanDerWaalsContact CA-SG 3.5Å; N409-C431 PolarHBondContact OD1-SG 2.77Å; N409-C431 VanDerWaalsContact OD1-SG 3.41Å
410	D	83.8	Confident	81.3	Confident	32 Å²	32	42.9 Å²	42.9	17%	0.171	23%	0.231	C	C	.	.			trans	-103.3	114.2	171.7	-172.5	-10.2	0	0	0	108.2	C408 T412 Q423	C408-D410 VanDerWaalsContact C-N 3.33Å; C408-D410 WeakPolarHBondContact CB-O 3.43Å; D410-T412 VanDerWaalsContact OD1-CB 3.24Å; D410-T412 WeakPolarHBondContact OD1-CB 3.19Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.49Å; D410-T412 PolarHBondContact OD1-N 3.08Å; D410-T412 PolarHBondContact OD1-OG1 2.81Å; D410-Q423 PolarHBondContact OD2-NE2 3.12Å
411	L	86.4	Confident	79.7	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.105	24%	0.241	C	C	.	.			trans	-102.1	23.2	177.2	-63.7	173.6	0	0	0	111.5	L361 L368 V407 C408 L433 L498 L531 Y534	L361-L411 HydrophobicContact CD2-CD1 4.05Å; L368-L411 HydrophobicContact CD1-CD1 3.77Å; V407-L411 HydrophobicContact CB-CD2 4.21Å; V407-L411 HydrophobicContact CG2-CD1 4.23Å; V407-L411 HydrophobicContact CG2-CD2 4.33Å; C408-L411 HydrophobicContact CB-CD2 4.19Å; L411-L433 HydrophobicContact CD1-CD2 4.37Å; L411-L498 HydrophobicContact CD2-CD1 4.32Å; L411-L531 HydrophobicContact CB-CD2 3.76Å; L411-L531 HydrophobicContact CD1-CD1 4.48Å; L411-L531 HydrophobicContact CD1-CD2 4.38Å; L411-L531 HydrophobicContact CD2-CD1 4.39Å; L411-Y534 WeakPolarHBondContact O-CD2 3.24Å
412	T	87.9	Confident	77.9	Confident	68 Å²	68	47.8 Å²	47.8	42%	0.417	26%	0.256	S	S	.	.	S	Bend	trans	-97.7	152.6	174.8	73.6	0	0	0	0	111.1	D410 T414 S415	D410-T412 VanDerWaalsContact OD1-CB 3.24Å; D410-T412 WeakPolarHBondContact OD1-CB 3.19Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.49Å; D410-T412 PolarHBondContact OD1-N 3.08Å; D410-T412 PolarHBondContact OD1-OG1 2.81Å; T412-T414 PolarHBondContact O-N 2.88Å; T412-T414 VanDerWaalsContact O-N 3.17Å; T412-S415 PolarHBondContact O-N 3.09Å; T412-S415 VanDerWaalsContact O-N 3.15Å; T412-S415 PolarHBondContact O-OG 2.54Å
413	F	87.5	Confident	76.2	Confident	30 Å²	30	50.1 Å²	50.1	13%	0.132	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.9	177.8	175.9	-106	0	0	0	112.2	S415 I416 I417 Y534 L538 H541 F542	F413-S415 PolarHBondContact O-N 3.11Å; F413-I416 HydrophobicContact CD2-CD1 4.34Å; F413-I416 HydrophobicContact CE2-CG2 4.42Å; F413-I416 WeakPolarHBondContact O-CB 3.36Å; F413-I416 PolarHBondContact O-N 3.32Å; F413-I417 HydrophobicContact CD1-CD1 4.4Å; F413-I417 HydrophobicContact CD1-CG2 4.36Å; F413-I417 HydrophobicContact CE1-CD1 4.19Å; F413-I417 HydrophobicContact CE1-CG2 3.51Å; F413-I417 HydrophobicContact CE2-CG2 4.3Å; F413-I417 HydrophobicContact CZ-CG2 3.45Å; F413-I417 VanDerWaalsContact CZ-CG2 3.45Å; F413-Y534 HydrophobicContact CB-CD2 4.47Å; F413-L538 HydrophobicContact CD2-CB 4.31Å; F413-L538 HydrophobicContact CD2-CD1 4.21Å; F413-L538 HydrophobicContact CE2-CB 4.48Å; F413-L538 HydrophobicContact CE2-CD1 3.93Å; F413-H541 HydrophobicContact CE1-CB 4.22Å; F413-H541 HydrophobicContact CE2-CB 3.99Å; F413-H541 HydrophobicContact CZ-CB 3.41Å; F413-H541 VanDerWaalsContact CZ-CB 3.41Å; F413-H541 AromaticContact CZ-CG 3.46Å; F413-H541 VanDerWaalsContact CZ-CG 3.46Å; F413-H541 AromaticContact CZ-ND1 3.78Å; F413-F542 HydrophobicContact CE2-CE2 4.37Å
414	T	86.3	Confident	74.4	Confident	67 Å²	67	51.3 Å²	51.3	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-32.9	176.3	-51.3	0	0	0	0	112.5	T412 I416 I417 N418	T412-T414 PolarHBondContact O-N 2.88Å; T412-T414 VanDerWaalsContact O-N 3.17Å; T414-I416 PolarHBondContact O-N 3.34Å; T414-I417 WeakPolarHBondContact O-CG1 3.38Å; T414-I417 PolarHBondContact O-N 2.85Å; T414-N418 WeakPolarHBondContact CG2-ND2 3.44Å; T414-N418 VanDerWaalsContact O-CB 3.3Å; T414-N418 WeakPolarHBondContact O-CB 3.46Å; T414-N418 PolarHBondContact O-N 3.47Å
415	S	80	Confident	72.3	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-27.2	178.7	80.5	0	0	0	0	113.2	T412 F413 H502	T412-S415 PolarHBondContact O-N 3.09Å; T412-S415 VanDerWaalsContact O-N 3.15Å; T412-S415 PolarHBondContact O-OG 2.54Å; F413-S415 PolarHBondContact O-N 3.11Å; S415-H502 PolarHBondContact OG-CD2 2.92Å; S415-H502 PolarHBondContact OG-NE2 3.01Å
416	I	80.1	Confident	70.4	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-78.3	-41.7	179.5	-68.4	177.8	0	0	0	111.2	F413 T414 F505 Y534 L538 F542	F413-I416 HydrophobicContact CD2-CD1 4.34Å; F413-I416 HydrophobicContact CE2-CG2 4.42Å; F413-I416 WeakPolarHBondContact O-CB 3.36Å; F413-I416 PolarHBondContact O-N 3.32Å; T414-I416 PolarHBondContact O-N 3.34Å; I416-F505 HydrophobicContact CD1-CB 4.33Å; I416-F505 HydrophobicContact CG2-CB 3.91Å; I416-F505 WeakPolarHBondContact CG2-O 3.46Å; I416-Y534 HydrophobicContact CD1-CE2 3.81Å; I416-Y534 WeakPolarHBondContact CD1-OH 3.45Å; I416-L538 HydrophobicContact CD1-CD1 3.63Å; I416-F542 HydrophobicContact CG2-CE2 4.25Å
417	I	81.2	Confident	69	Low	73 Å²	73	59.4 Å²	59.4	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-82.3	-30	-175.9	56.4	172.7	0	0	0	112.8	F413 T414 N419	F413-I417 HydrophobicContact CD1-CD1 4.4Å; F413-I417 HydrophobicContact CD1-CG2 4.36Å; F413-I417 HydrophobicContact CE1-CD1 4.19Å; F413-I417 HydrophobicContact CE1-CG2 3.51Å; F413-I417 HydrophobicContact CE2-CG2 4.3Å; F413-I417 HydrophobicContact CZ-CG2 3.45Å; F413-I417 VanDerWaalsContact CZ-CG2 3.45Å; T414-I417 WeakPolarHBondContact O-CG1 3.38Å; T414-I417 PolarHBondContact O-N 2.85Å; I417-N419 PolarHBondContact O-N 3.38Å; I417-N419 VanDerWaalsContact O-N 3.12Å
418	N	72.4	Confident	67.9	Low	76 Å²	76	62.9 Å²	62.9	41%	0.406	33%	0.332	S	S	.	.			trans	-82.8	91.6	-179.9	-73.7	-5.2	0	0	0	110.4	T414 D420 C421	T414-N418 WeakPolarHBondContact CG2-ND2 3.44Å; T414-N418 VanDerWaalsContact O-CB 3.3Å; T414-N418 WeakPolarHBondContact O-CB 3.46Å; T414-N418 PolarHBondContact O-N 3.47Å; N418-D420 PolarHBondContact O-N 3.26Å; N418-D420 VanDerWaalsContact O-N 3.12Å; N418-C421 WeakPolarHBondContact O-CB 3.28Å; N418-C421 PolarHBondContact O-N 3.2Å; N418-C421 VanDerWaalsContact O-N 3.12Å
419	N	57.5	Low	67.9	Low	107 Å²	107	65.8 Å²	65.8	57%	0.572	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.2	173	-65.8	-42	0	0	0	113.3	I417 C421 G507	I417-N419 PolarHBondContact O-N 3.38Å; I417-N419 VanDerWaalsContact O-N 3.12Å; N419-C421 VanDerWaalsContact C-N 3.28Å; N419-C421 PolarHBondContact O-N 3.47Å; N419-G507 VanDerWaalsContact OD1-CA 3.3Å; N419-G507 WeakPolarHBondContact OD1-CA 3.42Å
420	D	47.3	Very low	68.3	Low	151 Å²	151	64.2 Å²	64.2	81%	0.807	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.3	179.3	-70.1	-28.5	0	0	0	113.6	N418 Q422	N418-D420 PolarHBondContact O-N 3.26Å; N418-D420 VanDerWaalsContact O-N 3.12Å; D420-Q422 VanDerWaalsContact C-N 3.3Å; D420-Q422 PolarHBondContact O-N 3.12Å
421	C	43.1	Very low	68.8	Low	49 Å²	49	62.7 Å²	62.7	33%	0.331	33%	0.325	S	S	.	.			trans	-68	91.6	175	-99.2	0	0	0	0	109.3	N418 N419 Q423	N418-C421 WeakPolarHBondContact O-CB 3.28Å; N418-C421 PolarHBondContact O-N 3.2Å; N418-C421 VanDerWaalsContact O-N 3.12Å; N419-C421 VanDerWaalsContact C-N 3.28Å; N419-C421 PolarHBondContact O-N 3.47Å; C421-Q423 HydrophobicContact CB-CB 4.33Å; C421-Q423 HydrophobicContact CB-CG 3.82Å; C421-Q423 PolarHBondContact O-N 3.03Å; C421-Q423 PolarHBondContact SG-NE2 3.21Å
422	Q	43.1	Very low	69.2	Low	137 Å²	137	61.8 Å²	61.8	64%	0.64	32%	0.32	S	S	*	.			trans	-63	27.3	167.5	-58.6	-150.3	7.1	0	0	113.3	D420 E424 K425	D420-Q422 VanDerWaalsContact C-N 3.3Å; D420-Q422 PolarHBondContact O-N 3.12Å; Q422-E424 PolarHBondContact O-N 3.01Å; Q422-K425 HydrophobicContact CB-CD 4.41Å; Q422-K425 PolarHBondContact O-N 3.36Å
423	Q	45.4	Very low	69.6	Low	83 Å²	83	58.7 Å²	58.7	39%	0.388	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-73.1	-21.4	-162.5	-76	-161.8	26.6	0	0	113.9	D410 C421 K425	D410-Q423 PolarHBondContact OD2-NE2 3.12Å; C421-Q423 HydrophobicContact CB-CB 4.33Å; C421-Q423 HydrophobicContact CB-CG 3.82Å; C421-Q423 PolarHBondContact O-N 3.03Å; C421-Q423 PolarHBondContact SG-NE2 3.21Å; Q423-K425 VanDerWaalsContact C-N 3.33Å; Q423-K425 PolarHBondContact O-N 3.14Å
424	E	47.4	Very low	69.9	Low	53 Å²	53	57.3 Å²	57.3	25%	0.248	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-82.8	-4.4	175.5	-72.3	-156.9	161.1	0	0	114.4	Q422 S426	Q422-E424 PolarHBondContact O-N 3.01Å; E424-S426 VanDerWaalsContact C-N 3.34Å; E424-S426 PolarHBondContact O-N 3.45Å
425	K	47.7	Very low	70.2	Confident	146 Å²	146	54.9 Å²	54.9	64%	0.635	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-74.5	-20.4	-177.4	-70.6	-173	-176	172.8	0	114.6	Q422 Q423 A427	Q422-K425 HydrophobicContact CB-CD 4.41Å; Q422-K425 PolarHBondContact O-N 3.36Å; Q423-K425 VanDerWaalsContact C-N 3.33Å; Q423-K425 PolarHBondContact O-N 3.14Å; K425-A427 VanDerWaalsContact C-N 3.33Å; K425-A427 PolarHBondContact O-N 2.8Å
426	S	52.6	Low	70.7	Confident	51 Å²	51	55.7 Å²	55.7	36%	0.357	28%	0.283	S	S	.	.			trans	-85	80.3	-179.5	-165.4	0	0	0	0	110.5	E424 K428 K429	E424-S426 VanDerWaalsContact C-N 3.34Å; E424-S426 PolarHBondContact O-N 3.45Å; S426-K428 PolarHBondContact O-N 3.08Å; S426-K428 WeakPolarHBondContact OG-CB 3.39Å; S426-K429 PolarHBondContact O-N 2.91Å
427	A	61.8	Low	71	Confident	25 Å²	25	60.5 Å²	60.5	21%	0.207	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	5.3	166.6	0	0	0	0	0	113.7	T379 N381 K425	T379-A427 HydrophobicContact CG2-CB 3.86Å; N381-A427 HydrophobicContact CB-CB 4.4Å; K425-A427 VanDerWaalsContact C-N 3.33Å; K425-A427 PolarHBondContact O-N 2.8Å
428	K	69.8	Low	70.8	Confident	81 Å²	81	62.4 Å²	62.4	35%	0.352	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-31.8	176.8	-54.9	-179.3	177.4	-178.3	0	112.1	N372 W373 V375 S426	N372-K428 PolarHBondContact OD1-O 3.08Å; W373-K428 PolarHBondContact N-O 3.18Å; V375-K428 HydrophobicContact CG1-CB 4.02Å; V375-K428 HydrophobicContact CG1-CD 4.1Å; V375-K428 HydrophobicContact CG1-CG 3.88Å; S426-K428 PolarHBondContact O-N 3.08Å; S426-K428 WeakPolarHBondContact OG-CB 3.39Å
429	K	84.1	Confident	71	Confident	74 Å²	74	65.7 Å²	65.7	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.4	-175.6	69.1	170.1	-176.8	164.4	0	113.4	I356 I371 N409 S426	I356-K429 HydrophobicContact CD1-CB 4.04Å; I356-K429 HydrophobicContact CD1-CD 4.14Å; I371-K429 CarbonylContact O-C 3.58Å; I371-K429 WeakPolarHBondContact O-CA 3.37Å; I371-K429 VanDerWaalsContact O-CB 3.26Å; I371-K429 WeakPolarHBondContact O-CB 3.22Å; N409-K429 VanDerWaalsContact CG-NZ 3.26Å; N409-K429 PolarHBondContact ND2-NZ 2.86Å; N409-K429 PolarHBondContact OD1-NZ 3.5Å; S426-K429 PolarHBondContact O-N 2.91Å
430	F	88.8	Confident	72	Confident	17 Å²	17	61.5 Å²	61.5	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.1	173	63.6	-80.6	0	0	0	109.4	I371 W373 I382 V388 P406 L432 V457	I371-F430 HydrophobicContact CB-CD1 4.46Å; I371-F430 HydrophobicContact CB-CE1 3.97Å; I371-F430 HydrophobicContact CB-CE2 4.14Å; I371-F430 HydrophobicContact CB-CZ 3.79Å; I371-F430 HydrophobicContact CD1-CE2 3.83Å; I371-F430 HydrophobicContact CD1-CZ 4.01Å; I371-F430 HydrophobicContact CG2-CE1 3.76Å; I371-F430 HydrophobicContact CG2-CE2 4.42Å; I371-F430 HydrophobicContact CG2-CZ 3.62Å; I371-F430 PolarHBondContact N-O 2.83Å; I371-F430 PolarHBondContact O-N 3.42Å; W373-F430 HydrophobicContact CD2-CD1 4.26Å; W373-F430 AromaticContact CD2-CE1 3.79Å; W373-F430 HydrophobicContact CD2-CE1 3.79Å; W373-F430 AromaticContact CE2-CD1 3.64Å; W373-F430 AromaticContact CE2-CE1 3.47Å; W373-F430 VanDerWaalsContact CE2-CE1 3.47Å; W373-F430 HydrophobicContact CE3-CE1 4.24Å; W373-F430 HydrophobicContact CG-CD1 4.47Å; W373-F430 HydrophobicContact CG-CE1 4.3Å; W373-F430 HydrophobicContact CH2-CE1 4.12Å; W373-F430 HydrophobicContact CH2-CZ 4.38Å; W373-F430 HydrophobicContact CZ2-CD1 4Å; W373-F430 AromaticContact CZ2-CE1 3.67Å; W373-F430 HydrophobicContact CZ2-CE1 3.67Å; W373-F430 HydrophobicContact CZ2-CZ 4.25Å; W373-F430 HydrophobicContact CZ3-CE1 4.38Å; W373-F430 AromaticContact NE1-CD1 3.5Å; W373-F430 AromaticContact NE1-CE1 3.81Å; I382-F430 HydrophobicContact CD1-CB 3.9Å; I382-F430 HydrophobicContact CD1-CD1 4.07Å; I382-F430 HydrophobicContact CD1-CD2 3.77Å; I382-F430 HydrophobicContact CD1-CE2 4.32Å; I382-F430 HydrophobicContact CD1-CG 3.63Å; V388-F430 HydrophobicContact CG2-CE2 4.36Å; P406-F430 HydrophobicContact CB-CD2 4.43Å; P406-F430 HydrophobicContact CG-CD2 4.38Å; F430-L432 HydrophobicContact CD2-CD2 3.92Å; F430-L432 HydrophobicContact CD2-CG 4.18Å; F430-L432 HydrophobicContact CE2-CD1 4.19Å; F430-L432 HydrophobicContact CE2-CD2 3.9Å; F430-L432 HydrophobicContact CE2-CG 3.93Å; F430-V457 HydrophobicContact CE2-CG1 4.31Å; F430-V457 HydrophobicContact CZ-CB 4.34Å; F430-V457 HydrophobicContact CZ-CG1 3.85Å; F430-V457 HydrophobicContact CZ-CG2 4.1Å
431	C	93.8	Very high	73.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140	-177.9	-63.2	0	0	0	0	111.1	L368 L369 C370 P406 V407 N409	L368-C431 HydrophobicContact CD1-CB 4.23Å; L369-C431 CarbonylContact O-C 3.53Å; L369-C431 VanDerWaalsContact O-CA 3.22Å; L369-C431 WeakPolarHBondContact O-CA 3.45Å; C370-C431 PolarHBondContact SG-SG 3.4Å; P406-C431 CarbonylContact C-O 3.53Å; P406-C431 VanDerWaalsContact CA-O 3.23Å; P406-C431 WeakPolarHBondContact CA-O 3.37Å; V407-C431 HydrophobicContact CG2-CB 3.96Å; V407-C431 PolarHBondContact N-O 3.31Å; N409-C431 VanDerWaalsContact CA-SG 3.5Å; N409-C431 PolarHBondContact OD1-SG 2.77Å; N409-C431 VanDerWaalsContact OD1-SG 3.41Å
432	L	95.8	Very high	75.5	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.1	173.1	-57.5	-176.6	0	0	0	109.2	L368 L369 I371 V388 V390 Y404 P406 F430 I434	L368-L432 WeakPolarHBondContact CA-O 3.32Å; L369-L432 PolarHBondContact N-O 3.29Å; L369-L432 PolarHBondContact O-N 3.23Å; I371-L432 HydrophobicContact CD1-CD1 3.65Å; I371-L432 HydrophobicContact CD1-CG 3.9Å; V388-L432 HydrophobicContact CG2-CD2 4.13Å; V390-L432 HydrophobicContact CG2-CD1 3.63Å; Y404-L432 HydrophobicContact CD2-CD1 4.49Å; Y404-L432 HydrophobicContact CG-CD1 4.48Å; P406-L432 HydrophobicContact CB-CD2 4.29Å; P406-L432 HydrophobicContact CG-CD2 4.13Å; F430-L432 HydrophobicContact CD2-CD2 3.92Å; F430-L432 HydrophobicContact CD2-CG 4.18Å; F430-L432 HydrophobicContact CE2-CD1 4.19Å; F430-L432 HydrophobicContact CE2-CD2 3.9Å; F430-L432 HydrophobicContact CE2-CG 3.93Å; L432-I434 HydrophobicContact CB-CD1 4.17Å; L432-I434 HydrophobicContact CB-CG1 4.06Å; L432-I434 HydrophobicContact CD1-CD1 4.5Å
433	L	95.2	Very high	77.6	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.8	173.8	-177.3	63.6	0	0	0	108.9	L361 Y366 L368 V407 L411 T495 L498 I530	L361-L433 HydrophobicContact CB-CD1 4.41Å; L361-L433 HydrophobicContact CD2-CD1 3.7Å; L361-L433 HydrophobicContact CD2-CD2 4.46Å; Y366-L433 HydrophobicContact CD1-CD1 4.06Å; Y366-L433 HydrophobicContact CD1-CD2 4.3Å; Y366-L433 HydrophobicContact CD1-CG 3.73Å; Y366-L433 HydrophobicContact CE1-CG 4.41Å; Y366-L433 HydrophobicContact CG-CD1 4.29Å; Y366-L433 HydrophobicContact CG-CG 4.42Å; L368-L433 HydrophobicContact CD1-CB 4.14Å; L368-L433 HydrophobicContact CD1-CD1 4.08Å; V407-L433 HydrophobicContact CG1-CB 3.96Å; V407-L433 HydrophobicContact CG2-CB 3.91Å; L411-L433 HydrophobicContact CD1-CD2 4.37Å; L433-T495 HydrophobicContact CB-CG2 4.24Å; L433-T495 HydrophobicContact CD2-CG2 4.47Å; L433-L498 HydrophobicContact CD2-CD1 3.91Å; L433-I530 HydrophobicContact CD2-CG1 4.21Å
434	I	94.5	Very high	79.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.3	-168.2	-56.6	-179	0	0	0	109.6	Y366 R367 L369 Y404 L432 I436 V446	Y366-I434 CarbonylContact C-O 3.55Å; Y366-I434 WeakPolarHBondContact CA-O 3.43Å; R367-I434 PolarHBondContact N-O 2.89Å; R367-I434 PolarHBondContact O-N 3.5Å; L369-I434 HydrophobicContact CD1-CD1 3.85Å; L369-I434 HydrophobicContact CG-CD1 4.41Å; Y404-I434 HydrophobicContact CD1-CD1 4.33Å; Y404-I434 HydrophobicContact CD1-CG1 3.82Å; Y404-I434 HydrophobicContact CD2-CD1 4.41Å; Y404-I434 HydrophobicContact CE1-CB 4.11Å; Y404-I434 HydrophobicContact CE1-CD1 4.11Å; Y404-I434 HydrophobicContact CE1-CG1 3.7Å; Y404-I434 HydrophobicContact CE1-CG2 3.64Å; Y404-I434 HydrophobicContact CE2-CD1 4.15Å; Y404-I434 HydrophobicContact CG-CD1 4.47Å; Y404-I434 HydrophobicContact CG-CG1 4.35Å; L432-I434 HydrophobicContact CB-CD1 4.17Å; L432-I434 HydrophobicContact CB-CG1 4.06Å; L432-I434 HydrophobicContact CD1-CD1 4.5Å; I434-I436 HydrophobicContact CG2-CD1 4.05Å; I434-V446 HydrophobicContact CB-CG1 4.37Å; I434-V446 HydrophobicContact CD1-CG1 3.93Å; I434-V446 HydrophobicContact CD1-CG2 4.3Å; I434-V446 HydrophobicContact CG2-CG1 4.09Å
435	K	92.4	Very high	81.8	Confident	17 Å²	17	50.5 Å²	50.5	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.2	170	-173	162.7	172.6	172.9	0	110.2	C365 Y366 Y437 D528	C365-K435 VanDerWaalsContact SG-CE 3.6Å; Y366-K435 HydrophobicContact CD1-CB 3.86Å; Y366-K435 HydrophobicContact CE1-CB 3.59Å; Y366-K435 HydrophobicContact CE1-CD 4.39Å; Y366-K435 HydrophobicContact CE1-CG 4.31Å; Y366-K435 HydrophobicContact CE2-CB 4.32Å; Y366-K435 HydrophobicContact CE2-CD 3.94Å; Y366-K435 HydrophobicContact CE2-CG 4.15Å; Y366-K435 HydrophobicContact CG-CB 4.39Å; K435-Y437 HydrophobicContact CB-CE2 4.07Å; K435-Y437 HydrophobicContact CD-CE1 3.97Å; K435-Y437 HydrophobicContact CD-CE2 4.34Å; K435-Y437 WeakPolarHBondContact CD-OH 3.28Å; K435-Y437 HydrophobicContact CG-CE1 4.22Å; K435-Y437 HydrophobicContact CG-CE2 3.99Å; K435-D528 VanDerWaalsContact CE-OD1 3.29Å; K435-D528 WeakPolarHBondContact CE-OD1 3.25Å; K435-D528 IonicContact NZ-OD1 3.13Å; K435-D528 PolarHBondContact NZ-OD1 3.37Å
436	I	91.1	Very high	84	Confident	21 Å²	21	43.6 Å²	43.6	11%	0.108	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-97	118	178.8	-54	-56.7	0	0	0	109	W360 C365 R367 I434 V446 N447	W360-I436 HydrophobicContact CH2-CB 3.95Å; W360-I436 HydrophobicContact CH2-CG1 3.8Å; W360-I436 HydrophobicContact CH2-CG2 4.06Å; W360-I436 HydrophobicContact CZ3-CB 4.07Å; W360-I436 HydrophobicContact CZ3-CG1 3.82Å; C365-I436 PolarHBondContact O-N 2.86Å; R367-I436 HydrophobicContact CB-CD1 4.46Å; R367-I436 HydrophobicContact CB-CG1 4.39Å; R367-I436 HydrophobicContact CG-CD1 4.14Å; R367-I436 HydrophobicContact CG-CG1 3.74Å; I434-I436 HydrophobicContact CG2-CD1 4.05Å; I436-V446 HydrophobicContact CD1-CB 4.17Å; I436-V446 HydrophobicContact CD1-CG1 3.82Å; I436-N447 HydrophobicContact CG2-CB 4.31Å
437	Y	85.4	Confident	85.8	Confident	104 Å²	104	44.1 Å²	44.1	41%	0.408	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-99.3	131.3	174	-60.1	-85.4	0	0	0	109	K435 D439 G440 S443	K435-Y437 HydrophobicContact CB-CE2 4.07Å; K435-Y437 HydrophobicContact CD-CE1 3.97Å; K435-Y437 HydrophobicContact CD-CE2 4.34Å; K435-Y437 WeakPolarHBondContact CD-OH 3.28Å; K435-Y437 HydrophobicContact CG-CE1 4.22Å; K435-Y437 HydrophobicContact CG-CE2 3.99Å; Y437-D439 VanDerWaalsContact C-N 3.26Å; Y437-D439 PolarHBondContact O-N 2.78Å; Y437-G440 PolarHBondContact O-N 3.27Å; Y437-S443 PolarHBondContact N-OG 3.08Å; Y437-S443 VanDerWaalsContact N-OG 3.09Å; Y437-S443 VanDerWaalsContact O-CB 3.24Å; Y437-S443 WeakPolarHBondContact O-CB 3.36Å
438	P	77.2	Confident	87.2	Confident	113 Å²	113	48.5 Å²	48.5	73%	0.734	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-41.6	-177.5	-28.7	35	0	0	0	113.8
439	D	76.8	Confident	88.3	Confident	146 Å²	146	45.3 Å²	45.3	78%	0.781	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	6.4	-178.8	-56.9	-49	0	0	0	113.3	Y437 E441	Y437-D439 VanDerWaalsContact C-N 3.26Å; Y437-D439 PolarHBondContact O-N 2.78Å; D439-E441 PolarHBondContact O-N 3.33Å
440	G	78.5	Confident	88.8	Confident	19 Å²	19	45 Å²	45	20%	0.196	24%	0.24	C	C	.	.			trans	-78.3	116.9	-177.8	0	0	0	0	0	111.8	Y437 F442 S443 K444	Y437-G440 PolarHBondContact O-N 3.27Å; G440-F442 PolarHBondContact O-N 2.92Å; G440-S443 CarbonylContact O-C 3.07Å; G440-S443 WeakPolarHBondContact O-CA 3.25Å; G440-S443 VanDerWaalsContact O-CB 3.32Å; G440-S443 WeakPolarHBondContact O-CB 3.18Å; G440-S443 PolarHBondContact O-N 2.8Å; G440-K444 WeakPolarHBondContact O-CG 3.26Å; G440-K444 PolarHBondContact O-N 2.8Å
441	E	80	Confident	89.1	Confident	102 Å²	102	46.3 Å²	46.3	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-51.5	-51.5	178.7	-71.3	-61.6	117.2	0	0	112.7	D439 S443 K444 L445	D439-E441 PolarHBondContact O-N 3.33Å; E441-S443 VanDerWaalsContact C-N 3.34Å; E441-S443 PolarHBondContact O-N 2.82Å; E441-K444 PolarHBondContact O-N 3.43Å; E441-K444 IonicContact OE1-NZ 3.44Å; E441-K444 PolarHBondContact OE1-NZ 3.4Å; E441-L445 PolarHBondContact O-N 3.19Å
442	F	84.9	Confident	88.9	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-32.7	176.3	-164.8	-92.4	0	0	0	112.4	V390 L392 V400 R402 Y404 G440 K444 L445 V446	V390-F442 HydrophobicContact CB-CZ 4.12Å; V390-F442 HydrophobicContact CG1-CZ 3.8Å; L392-F442 HydrophobicContact CB-CE2 4.21Å; L392-F442 HydrophobicContact CD1-CE2 4.16Å; L392-F442 HydrophobicContact CD1-CZ 4Å; L392-F442 HydrophobicContact CG-CE2 4.26Å; L392-F442 HydrophobicContact CG-CZ 4.32Å; V400-F442 HydrophobicContact CB-CD2 3.95Å; V400-F442 HydrophobicContact CG1-CB 4Å; V400-F442 HydrophobicContact CG1-CD2 3.72Å; V400-F442 HydrophobicContact CG1-CG 4.35Å; V400-F442 VanDerWaalsContact O-CE2 3.24Å; V400-F442 WeakPolarHBondContact O-CE2 3.03Å; R402-F442 HydrophobicContact CB-CD1 4.04Å; R402-F442 HydrophobicContact CB-CD2 4.38Å; R402-F442 HydrophobicContact CB-CE1 4.1Å; R402-F442 HydrophobicContact CB-CE2 4.45Å; R402-F442 HydrophobicContact CB-CG 4.16Å; R402-F442 HydrophobicContact CB-CZ 4.31Å; R402-F442 HydrophobicContact CG-CB 3.68Å; R402-F442 HydrophobicContact CG-CD1 3.71Å; R402-F442 HydrophobicContact CG-CD2 3.82Å; R402-F442 HydrophobicContact CG-CE1 4.26Å; R402-F442 HydrophobicContact CG-CE2 4.36Å; R402-F442 HydrophobicContact CG-CG 3.44Å; R402-F442 VanDerWaalsContact CG-CG 3.44Å; Y404-F442 HydrophobicContact CE2-CD1 4.14Å; Y404-F442 AromaticContact CE2-CE1 3.43Å; Y404-F442 HydrophobicContact CE2-CE1 3.43Å; Y404-F442 VanDerWaalsContact CE2-CE1 3.43Å; Y404-F442 HydrophobicContact CE2-CZ 4.07Å; Y404-F442 AromaticContact CZ-CE1 3.73Å; Y404-F442 WeakPolarHBondContact OH-CD1 3.43Å; Y404-F442 WeakPolarHBondContact OH-CE1 3.49Å; G440-F442 PolarHBondContact O-N 2.92Å; F442-K444 VanDerWaalsContact C-N 3.32Å; F442-K444 PolarHBondContact O-N 2.89Å; F442-L445 PolarHBondContact O-N 3.35Å; F442-V446 HydrophobicContact CD1-CG2 3.53Å; F442-V446 HydrophobicContact CE1-CG2 3.22Å; F442-V446 HydrophobicContact CZ-CG2 4.04Å; F442-V446 WeakPolarHBondContact O-CG2 3.47Å; F442-V446 PolarHBondContact O-N 3.21Å
443	S	86.9	Confident	88.9	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-37.7	176.4	-65.6	0	0	0	0	111.8	Y437 G440 E441 L445 V446 N447	Y437-S443 PolarHBondContact N-OG 3.08Å; Y437-S443 VanDerWaalsContact N-OG 3.09Å; Y437-S443 VanDerWaalsContact O-CB 3.24Å; Y437-S443 WeakPolarHBondContact O-CB 3.36Å; G440-S443 CarbonylContact O-C 3.07Å; G440-S443 WeakPolarHBondContact O-CA 3.25Å; G440-S443 VanDerWaalsContact O-CB 3.32Å; G440-S443 WeakPolarHBondContact O-CB 3.18Å; G440-S443 PolarHBondContact O-N 2.8Å; E441-S443 VanDerWaalsContact C-N 3.34Å; E441-S443 PolarHBondContact O-N 2.82Å; S443-L445 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 2.85Å; S443-V446 PolarHBondContact O-N 2.79Å; S443-N447 WeakPolarHBondContact O-CB 3.35Å; S443-N447 PolarHBondContact O-N 2.84Å
444	K	89.1	Confident	88.9	Confident	91 Å²	91	59.1 Å²	59.1	40%	0.396	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-42	174	-66.7	168.8	-170	166.4	0	111.8	G440 E441 F442 N448	G440-K444 WeakPolarHBondContact O-CG 3.26Å; G440-K444 PolarHBondContact O-N 2.8Å; E441-K444 PolarHBondContact O-N 3.43Å; E441-K444 IonicContact OE1-NZ 3.44Å; E441-K444 PolarHBondContact OE1-NZ 3.4Å; F442-K444 VanDerWaalsContact C-N 3.32Å; F442-K444 PolarHBondContact O-N 2.89Å; K444-N448 PolarHBondContact O-ND2 2.85Å
445	L	91.9	Very high	88.8	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.199	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-49.2	177.2	-58.2	177.5	0	0	0	111.1	L392 D394 V400 E441 F442 S443 N447 N448	L392-L445 HydrophobicContact CB-CB 4.31Å; L392-L445 HydrophobicContact CB-CD1 3.86Å; L392-L445 HydrophobicContact CD1-CB 3.76Å; D394-L445 HydrophobicContact CB-CD1 4.44Å; V400-L445 HydrophobicContact CB-CD1 4.22Å; V400-L445 HydrophobicContact CG2-CD1 4.14Å; E441-L445 PolarHBondContact O-N 3.19Å; F442-L445 PolarHBondContact O-N 3.35Å; S443-L445 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 2.85Å; L445-N447 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 2.84Å; L445-N448 PolarHBondContact O-N 3.18Å
446	V	92.8	Very high	88.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-34.3	179.2	173.5	0	0	0	0	112.6	R367 L369 L392 I434 I436 F442 S443 N448 L449	R367-V446 PolarHBondContact NE-O 3.3Å; L369-V446 HydrophobicContact CD1-CG1 4.23Å; L392-V446 HydrophobicContact CD1-CG2 3.99Å; I434-V446 HydrophobicContact CB-CG1 4.37Å; I434-V446 HydrophobicContact CD1-CG1 3.93Å; I434-V446 HydrophobicContact CD1-CG2 4.3Å; I434-V446 HydrophobicContact CG2-CG1 4.09Å; I436-V446 HydrophobicContact CD1-CB 4.17Å; I436-V446 HydrophobicContact CD1-CG1 3.82Å; F442-V446 HydrophobicContact CD1-CG2 3.53Å; F442-V446 HydrophobicContact CE1-CG2 3.22Å; F442-V446 HydrophobicContact CZ-CG2 4.04Å; F442-V446 WeakPolarHBondContact O-CG2 3.47Å; F442-V446 PolarHBondContact O-N 3.21Å; S443-V446 PolarHBondContact O-N 2.79Å; V446-N448 PolarHBondContact O-N 2.84Å; V446-L449 HydrophobicContact CB-CD1 4.45Å; V446-L449 HydrophobicContact CG1-CD1 4.47Å; V446-L449 HydrophobicContact CG2-CD1 4.35Å; V446-L449 WeakPolarHBondContact O-CB 2.75Å; V446-L449 PolarHBondContact O-N 3.4Å; V446-L449 VanDerWaalsContact O-N 3.1Å
447	N	91	Very high	88.7	Confident	62 Å²	62	59.1 Å²	59.1	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-31.2	179	-173.5	69.7	0	0	0	112.5	W360 I436 S443 L445	W360-N447 WeakPolarHBondContact CH2-OD1 3.26Å; W360-N447 WeakPolarHBondContact CZ2-OD1 3.17Å; I436-N447 HydrophobicContact CG2-CB 4.31Å; S443-N447 WeakPolarHBondContact O-CB 3.35Å; S443-N447 PolarHBondContact O-N 2.84Å; L445-N447 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 2.84Å
448	N	90.7	Very high	88.5	Confident	118 Å²	118	54.2 Å²	54.2	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8	-178.8	-62.7	-21.2	0	0	0	113.4	K444 L445 V446	K444-N448 PolarHBondContact O-ND2 2.85Å; L445-N448 PolarHBondContact O-N 3.18Å; V446-N448 PolarHBondContact O-N 2.84Å
449	L	94.1	Very high	88.5	Confident	14 Å²	14	49 Å²	49	7%	0.073	27%	0.272	C	S	.	.			trans	-72.5	130.3	-179	-68.2	175.7	0	0	0	111.9	I355 S358 R367 L369 L392 V446 D453 I455	I355-L449 HydrophobicContact CD1-CB 3.89Å; I355-L449 HydrophobicContact CD1-CD1 3.82Å; I355-L449 HydrophobicContact CD1-CD2 4.1Å; I355-L449 HydrophobicContact CD1-CG 4.17Å; S358-L449 PolarHBondContact OG-O 3Å; R367-L449 PolarHBondContact NH2-O 3.19Å; L369-L449 HydrophobicContact CD1-CD1 4.04Å; L392-L449 HydrophobicContact CD1-CD1 3.92Å; L392-L449 HydrophobicContact CD2-CD2 4.33Å; V446-L449 HydrophobicContact CB-CD1 4.45Å; V446-L449 HydrophobicContact CG1-CD1 4.47Å; V446-L449 HydrophobicContact CG2-CD1 4.35Å; V446-L449 WeakPolarHBondContact O-CB 2.75Å; V446-L449 PolarHBondContact O-N 3.4Å; V446-L449 VanDerWaalsContact O-N 3.1Å; L449-D453 WeakPolarHBondContact CA-OD2 2.89Å; L449-D453 HydrophobicContact CD2-CB 4.09Å; L449-I455 HydrophobicContact CD1-CD1 3.87Å
450	S	94.6	Very high	88.5	Confident	66 Å²	66	42.1 Å²	42.1	46%	0.462	24%	0.235	S	C	.	.			trans	-117.9	172	178.1	-61.4	0	0	0	0	111.4	D453	S450-D453 PolarHBondContact N-OD2 2.93Å; S450-D453 WeakPolarHBondContact O-CB 2.97Å; S450-D453 PolarHBondContact O-N 3.09Å
451	A	93.8	Very high	88.2	Confident	45 Å²	45	41.9 Å²	41.9	37%	0.372	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	145	169.7	0	0	0	0	0	110.5	I356 D453	I356-A451 WeakPolarHBondContact O-CB 3.47Å; A451-D453 PolarHBondContact O-N 3.36Å
452	N	90.6	Very high	87.8	Confident	139 Å²	139	37.1 Å²	37.1	74%	0.743	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	-9.8	-173.1	-50.1	-54.8	0	0	0	116.6	I355	I355-N452 PolarHBondContact O-N 3.22Å
453	D	95.8	Very high	86.9	Confident	64 Å²	64	40 Å²	40	34%	0.342	22%	0.224	S	C	.	.			trans	-65.2	162.8	169.9	-70.2	-22.9	0	0	0	111	I355 L449 S450 A451	I355-D453 HydrophobicContact CD1-CB 4.2Å; I355-D453 PolarHBondContact N-O 2.97Å; L449-D453 WeakPolarHBondContact CA-OD2 2.89Å; L449-D453 HydrophobicContact CD2-CB 4.09Å; S450-D453 PolarHBondContact N-OD2 2.93Å; S450-D453 WeakPolarHBondContact O-CB 2.97Å; S450-D453 PolarHBondContact O-N 3.09Å; A451-D453 PolarHBondContact O-N 3.36Å
454	T	93.8	Very high	86.3	Confident	71 Å²	71	39.9 Å²	39.9	44%	0.436	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.8	177.5	56.6	0	0	0	0	111.8	V352 C353	V352-T454 HydrophobicContact CG1-CG2 3.98Å; C353-T454 CarbonylContact O-C 3.54Å; C353-T454 VanDerWaalsContact O-CA 3.26Å; C353-T454 WeakPolarHBondContact O-CA 3.33Å
455	I	94.3	Very high	85.3	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.5	176.6	-166.4	165.5	0	0	0	109.6	C353 I355 L369 I371 V390 L392 L449 V457	C353-I455 HydrophobicContact CB-CG2 4.26Å; C353-I455 PolarHBondContact N-O 3.06Å; C353-I455 PolarHBondContact O-N 3.17Å; I355-I455 HydrophobicContact CD1-CB 4.43Å; I355-I455 HydrophobicContact CD1-CG2 4.45Å; I355-I455 HydrophobicContact CG1-CG2 4.1Å; L369-I455 HydrophobicContact CD1-CD1 4.42Å; I371-I455 HydrophobicContact CD1-CG2 4.04Å; I371-I455 HydrophobicContact CG1-CG2 4.42Å; I371-I455 HydrophobicContact CG2-CG2 4.24Å; V390-I455 HydrophobicContact CG1-CD1 3.15Å; V390-I455 HydrophobicContact CG1-CG1 3.43Å; V390-I455 VanDerWaalsContact CG1-CG1 3.43Å; L392-I455 HydrophobicContact CD1-CD1 4.46Å; L392-I455 HydrophobicContact CD2-CB 4.43Å; L392-I455 HydrophobicContact CD2-CD1 4.41Å; L392-I455 HydrophobicContact CD2-CG1 3.86Å; L392-I455 HydrophobicContact CG-CD1 4.48Å; L392-I455 HydrophobicContact CG-CG1 4.24Å; L449-I455 HydrophobicContact CD1-CD1 3.87Å; I455-V457 HydrophobicContact CG2-CG2 4.01Å
456	E	91.1	Very high	84.1	Confident	36 Å²	36	38 Å²	38	17%	0.168	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124	-178.9	-73.4	-175.3	-131.9	0	0	110.7	F350 Y351 V352 V390 R391 Y399	F350-E456 HydrophobicContact CB-CB 4.19Å; F350-E456 HydrophobicContact CD1-CB 4.35Å; Y351-E456 WeakPolarHBondContact O-CA 3.21Å; V352-E456 HydrophobicContact CG2-CG 4.06Å; V390-E456 WeakPolarHBondContact CA-O 3.09Å; R391-E456 HydrophobicContact CG-CB 3.56Å; R391-E456 IonicContact CZ-OE2 2.93Å; R391-E456 PolarHBondContact N-O 3.22Å; R391-E456 IonicContact NE-OE2 2.81Å; R391-E456 PolarHBondContact NE-OE2 3.29Å; R391-E456 IonicContact NH2-OE2 3.81Å; R391-E456 PolarHBondContact NH2-OE2 3.49Å; R391-E456 PolarHBondContact O-N 3.15Å; Y399-E456 WeakPolarHBondContact CE1-OE1 3.37Å; Y399-E456 PolarHBondContact OH-OE1 3.31Å
457	V	89.5	Confident	82.8	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.8	-171.5	-172.5	0	0	0	0	110.8	F350 Y351 C353 W373 V388 N389 V390 F430 I455	F350-V457 CarbonylContact C-O 3.56Å; F350-V457 WeakPolarHBondContact CA-O 2.94Å; Y351-V457 PolarHBondContact N-O 3.33Å; Y351-V457 PolarHBondContact O-N 2.95Å; C353-V457 HydrophobicContact CB-CG2 4.3Å; W373-V457 HydrophobicContact CH2-CB 4.41Å; W373-V457 HydrophobicContact CH2-CG1 3.89Å; W373-V457 HydrophobicContact CZ3-CB 4.22Å; W373-V457 HydrophobicContact CZ3-CG1 4.21Å; V388-V457 HydrophobicContact CB-CG1 3.65Å; V388-V457 HydrophobicContact CG1-CG1 4.12Å; V388-V457 HydrophobicContact CG2-CG1 3.67Å; N389-V457 CarbonylContact O-C 3.52Å; N389-V457 WeakPolarHBondContact O-CA 3.48Å; V390-V457 HydrophobicContact CG2-CG2 4.43Å; F430-V457 HydrophobicContact CE2-CG1 4.31Å; F430-V457 HydrophobicContact CZ-CB 4.34Å; F430-V457 HydrophobicContact CZ-CG1 3.85Å; F430-V457 HydrophobicContact CZ-CG2 4.1Å; I455-V457 HydrophobicContact CG2-CG2 4.01Å
458	S	82.1	Confident	82.1	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	167.8	178.1	79.7	0	0	0	0	112.1	V349 N389	V349-S458 VanDerWaalsContact O-CA 3.31Å; V349-S458 WeakPolarHBondContact O-CA 3.19Å; N389-S458 PolarHBondContact N-OG 2.94Å; N389-S458 PolarHBondContact O-N 2.9Å
459	L	76.5	Confident	81.3	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-58.6	155.1	159.8	-66.2	178	0	0	0	111.3	N138 P142 L193 V349 Y351 I380 I461	N138-L459 WeakPolarHBondContact ND2-CB 3.48Å; P142-L459 HydrophobicContact CG-CD1 4.41Å; L193-L459 HydrophobicContact CD1-CD2 3.84Å; L193-L459 HydrophobicContact CD2-CD1 3.98Å; L193-L459 HydrophobicContact CD2-CD2 3.81Å; V349-L459 PolarHBondContact O-N 3.48Å; Y351-L459 HydrophobicContact CD2-CD2 4.46Å; Y351-L459 HydrophobicContact CE2-CD2 3.56Å; Y351-L459 HydrophobicContact CE2-CG 4.01Å; I380-L459 HydrophobicContact CD1-CD2 3.31Å; L459-I461 PolarHBondContact O-N 3.38Å
460	P	76.8	Confident	80.1	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-58.6	135	176.6	-28	37.1	0	0	0	113.6	N138 I380 I382 Y386 H387 V388	N138-P460 PolarHBondContact ND2-O 2.9Å; N138-P460 PolarHBondContact OD1-O 2.61Å; I380-P460 HydrophobicContact CG2-CG 3.71Å; I382-P460 HydrophobicContact CB-CG 4.26Å; I382-P460 HydrophobicContact CG1-CG 4.04Å; I382-P460 HydrophobicContact CG2-CB 3.99Å; I382-P460 HydrophobicContact CG2-CG 3.89Å; Y386-P460 HydrophobicContact CD1-CB 4.17Å; H387-P460 CarbonylContact O-C 3.51Å; H387-P460 WeakPolarHBondContact O-CA 3.35Å; V388-P460 HydrophobicContact CG1-CG 4.42Å
461	I	72.2	Confident	78.8	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.072	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-123.7	137.5	177.8	-53.1	167.8	0	0	0	107.5	N138 Y386 H387 N389 L459	N138-I461 HydrophobicContact CB-CG1 4.2Å; Y386-I461 CarbonylContact C-O 2.97Å; Y386-I461 WeakPolarHBondContact CA-O 3.3Å; Y386-I461 WeakPolarHBondContact CB-O 3.44Å; H387-I461 PolarHBondContact CE1-O 3.1Å; H387-I461 VanDerWaalsContact CE1-O 3.29Å; H387-I461 PolarHBondContact N-O 2.92Å; H387-I461 PolarHBondContact ND1-O 2.89Å; H387-I461 VanDerWaalsContact ND1-O 3.17Å; H387-I461 WeakPolarHBondContact NE2-CB 3.45Å; H387-I461 WeakPolarHBondContact NE2-CG2 3.36Å; H387-I461 PolarHBondContact O-N 3.09Å; N389-I461 WeakPolarHBondContact ND2-CD1 3.47Å; L459-I461 PolarHBondContact O-N 3.38Å
462	G	70.4	Confident	77.7	Confident	2 Å²	2	33 Å²	33	2%	0.021	18%	0.181	C	C	.	.			trans	157.7	165.2	-179.2	0	0	0	0	0	112.6	Y386	Y386-G462 WeakPolarHBondContact CE1-O 3.21Å; Y386-G462 VanDerWaalsContact CZ-O 3.3Å; Y386-G462 PolarHBondContact OH-O 3.19Å
463	N	67.4	Low	76.5	Confident	65 Å²	65	27 Å²	27	35%	0.348	15%	0.148	S	C	.	.			trans	-133.9	21.5	-179.1	64.8	-9.9	0	0	0	111.5	M136 N465 H624	M136-N463 HydrophobicContact SD-CB 4.32Å; M136-N463 PolarHBondContact SD-ND2 3.22Å; M136-N463 VanDerWaalsContact SD-ND2 3.42Å; N463-N465 PolarHBondContact O-N 3.32Å; N463-N465 VanDerWaalsContact O-N 3.08Å; N463-H624 PolarHBondContact OD1-CE1 3.04Å
464	F	74.2	Confident	74.7	Confident	3 Å²	3	27.2 Å²	27.2	1%	0.013	15%	0.145	C	C	.	.			trans	-59.7	117.1	177.3	-176.9	-107.3	0	0	0	110.1	R191 I384 Y386 S466 L468 I469 I500 L598 H624 F626	R191-F464 PolarHBondContact NH2-O 3.4Å; R191-F464 VanDerWaalsContact NH2-O 3.14Å; I384-F464 HydrophobicContact CG2-CE1 4.28Å; I384-F464 VanDerWaalsContact O-CD1 3.24Å; I384-F464 WeakPolarHBondContact O-CD1 3.33Å; Y386-F464 HydrophobicContact CD2-CB 4.35Å; Y386-F464 HydrophobicContact CE2-CB 4.27Å; F464-S466 PolarHBondContact O-N 3.33Å; F464-L468 HydrophobicContact CE2-CD2 4.42Å; F464-I469 HydrophobicContact CE1-CD1 4.17Å; F464-I469 HydrophobicContact CZ-CD1 4.25Å; F464-I469 HydrophobicContact CZ-CG1 4.4Å; F464-I469 HydrophobicContact CZ-CG2 4.25Å; F464-I500 HydrophobicContact CE2-CD1 4.13Å; F464-I500 HydrophobicContact CZ-CD1 3.9Å; F464-L598 HydrophobicContact CE2-CD2 4.13Å; F464-H624 AromaticContact CD2-CD2 3.57Å; F464-H624 AromaticContact CD2-CG 3.89Å; F464-H624 AromaticContact CD2-NE2 3.68Å; F464-F626 HydrophobicContact CB-CE1 4.19Å; F464-F626 AromaticContact CD2-CE1 3.44Å; F464-F626 HydrophobicContact CD2-CE1 3.44Å; F464-F626 VanDerWaalsContact CD2-CE1 3.44Å; F464-F626 AromaticContact CD2-CZ 3.59Å; F464-F626 HydrophobicContact CD2-CZ 3.59Å; F464-F626 HydrophobicContact CE2-CE1 4.03Å; F464-F626 AromaticContact CE2-CZ 3.69Å; F464-F626 HydrophobicContact CE2-CZ 3.69Å; F464-F626 AromaticContact CG-CE1 3.95Å; F464-F626 HydrophobicContact CG-CE1 3.95Å; F464-F626 HydrophobicContact CG-CZ 4.44Å
465	N	68.2	Low	72.9	Confident	72 Å²	72	26.6 Å²	26.6	39%	0.385	14%	0.137	S	C	.	.			trans	-87.1	107.5	179.6	-174.5	-1.6	0	0	0	108.9	N463 N467 L468	N463-N465 PolarHBondContact O-N 3.32Å; N463-N465 VanDerWaalsContact O-N 3.08Å; N465-N467 PolarHBondContact O-N 3.38Å; N465-N467 VanDerWaalsContact O-N 3.12Å; N465-N467 WeakPolarHBondContact OD1-CB 3.46Å; N465-N467 PolarHBondContact OD1-N 2.88Å; N465-N467 PolarHBondContact OD1-ND2 3.13Å; N465-L468 WeakPolarHBondContact O-CB 3.38Å; N465-L468 PolarHBondContact O-N 3.37Å
466	S	65.8	Low	71.1	Confident	18 Å²	18	30.7 Å²	30.7	13%	0.126	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61.1	-21.1	177.9	46.9	0	0	0	0	112.7	R191 F464 L468 I469 K470	R191-S466 PolarHBondContact NH2-OG 3.48Å; F464-S466 PolarHBondContact O-N 3.33Å; S466-L468 PolarHBondContact O-N 3.38Å; S466-L468 VanDerWaalsContact O-N 3.16Å; S466-I469 WeakPolarHBondContact O-CG1 3.33Å; S466-I469 PolarHBondContact O-N 2.98Å; S466-K470 PolarHBondContact O-N 3.39Å; S466-K470 VanDerWaalsContact O-N 3.08Å
467	N	65.3	Low	69.3	Low	62 Å²	62	36.5 Å²	36.5	33%	0.332	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-62.9	-17.7	172.6	-65.5	-47	0	0	0	113.3	N465 K470 P471	N465-N467 PolarHBondContact O-N 3.38Å; N465-N467 VanDerWaalsContact O-N 3.12Å; N465-N467 WeakPolarHBondContact OD1-CB 3.46Å; N465-N467 PolarHBondContact OD1-N 2.88Å; N465-N467 PolarHBondContact OD1-ND2 3.13Å; N467-K470 WeakPolarHBondContact OD1-CD 3.47Å; N467-P471 VanDerWaalsContact O-CD 3.22Å; N467-P471 WeakPolarHBondContact O-CD 3.5Å
468	L	75.9	Confident	67.5	Low	17 Å²	17	43.1 Å²	43.1	9%	0.089	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.2	-41	175.8	-178.4	57.7	0	0	0	112	F464 N465 S466 I596 L598 R622 H624	F464-L468 HydrophobicContact CE2-CD2 4.42Å; N465-L468 WeakPolarHBondContact O-CB 3.38Å; N465-L468 PolarHBondContact O-N 3.37Å; S466-L468 PolarHBondContact O-N 3.38Å; S466-L468 VanDerWaalsContact O-N 3.16Å; L468-I596 HydrophobicContact CD1-CB 4.5Å; L468-I596 HydrophobicContact CD1-CG1 4.02Å; L468-I596 HydrophobicContact CD1-CG2 3.82Å; L468-I596 HydrophobicContact CD2-CG2 3.99Å; L468-I596 HydrophobicContact CG-CG2 3.74Å; L468-I596 WeakPolarHBondContact O-CD1 3.45Å; L468-L598 HydrophobicContact CD2-CD2 3.67Å; L468-R622 HydrophobicContact CD1-CB 4.33Å; L468-H624 HydrophobicContact CD2-CB 3.61Å
469	I	74.4	Confident	66.1	Low	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-11.1	179.7	58.5	171.8	0	0	0	112.8	L187 F464 S466 P471 I472 I473 Y503	L187-I469 HydrophobicContact CD1-CD1 3.87Å; F464-I469 HydrophobicContact CE1-CD1 4.17Å; F464-I469 HydrophobicContact CZ-CD1 4.25Å; F464-I469 HydrophobicContact CZ-CG1 4.4Å; F464-I469 HydrophobicContact CZ-CG2 4.25Å; S466-I469 WeakPolarHBondContact O-CG1 3.33Å; S466-I469 PolarHBondContact O-N 2.98Å; I469-P471 VanDerWaalsContact C-CD 3.43Å; I469-I472 HydrophobicContact CB-CD1 4.49Å; I469-I472 WeakPolarHBondContact O-CB 3.18Å; I469-I472 PolarHBondContact O-N 3.31Å; I469-I472 VanDerWaalsContact O-N 3.1Å; I469-I473 HydrophobicContact CB-CD1 4.31Å; I469-I473 HydrophobicContact CD1-CD1 4.17Å; I469-I473 HydrophobicContact CG1-CD1 3.95Å; I469-I473 WeakPolarHBondContact O-CD1 3.31Å; I469-I473 WeakPolarHBondContact O-CG1 3.14Å; I469-I473 PolarHBondContact O-N 2.98Å; I469-Y503 HydrophobicContact CD1-CD1 4.42Å; I469-Y503 HydrophobicContact CD1-CE1 4.47Å
470	K	68.3	Low	65.3	Low	55 Å²	55	55.3 Å²	55.3	24%	0.239	29%	0.294	C	S	.	.	H	α-helix	trans	-53.1	-40.5	178.3	-169.7	174	-174.4	170.3	0	114.7	S466 N467 I472 I473 Y474	S466-K470 PolarHBondContact O-N 3.39Å; S466-K470 VanDerWaalsContact O-N 3.08Å; N467-K470 WeakPolarHBondContact OD1-CD 3.47Å; K470-I472 VanDerWaalsContact C-N 3.28Å; K470-I472 PolarHBondContact O-N 3.04Å; K470-I473 PolarHBondContact O-N 3.31Å; K470-I473 VanDerWaalsContact O-N 3.09Å; K470-Y474 PolarHBondContact O-N 3.33Å
471	P	67.7	Low	65.1	Low	67 Å²	67	60.2 Å²	60.2	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-38.8	176.9	-25.4	35	0	0	0	112.9	N467 I469 I473 Q513	N467-P471 VanDerWaalsContact O-CD 3.22Å; N467-P471 WeakPolarHBondContact O-CD 3.5Å; I469-P471 VanDerWaalsContact C-CD 3.43Å; P471-I473 PolarHBondContact O-N 3.05Å; P471-Q513 PolarHBondContact O-OE1 3.22Å
472	I	71.4	Confident	65.7	Low	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-36.7	177.4	-59.8	162.1	0	0	0	110.7	I469 K470 V485 L504 L512 Q513 F515 I596	I469-I472 HydrophobicContact CB-CD1 4.49Å; I469-I472 WeakPolarHBondContact O-CB 3.18Å; I469-I472 PolarHBondContact O-N 3.31Å; I469-I472 VanDerWaalsContact O-N 3.1Å; K470-I472 VanDerWaalsContact C-N 3.28Å; K470-I472 PolarHBondContact O-N 3.04Å; I472-V485 HydrophobicContact CD1-CG2 3.34Å; I472-L504 HydrophobicContact CG2-CD2 3.94Å; I472-L512 HydrophobicContact CG2-CD1 4.45Å; I472-Q513 WeakPolarHBondContact O-CB 3.42Å; I472-Q513 PolarHBondContact O-N 2.83Å; I472-F515 HydrophobicContact CG2-CB 3.69Å; I472-F515 HydrophobicContact CG2-CD1 3.46Å; I472-F515 VanDerWaalsContact CG2-CD1 3.46Å; I472-F515 HydrophobicContact CG2-CE1 4.24Å; I472-F515 HydrophobicContact CG2-CG 3.65Å; I472-I596 HydrophobicContact CD1-CD1 3.73Å; I472-I596 HydrophobicContact CG1-CD1 4.19Å
473	I	64.7	Low	66.6	Low	12 Å²	12	62 Å²	62	6%	0.062	33%	0.325	C	S	.	.	H	α-helix	trans	-83.3	-26.9	-171.3	-56.1	155.6	0	0	0	112	N185 L187 I469 K470 P471 Y503 L504	N185-I473 WeakPolarHBondContact ND2-CG2 3.25Å; L187-I473 HydrophobicContact CD1-CD1 4.18Å; I469-I473 HydrophobicContact CB-CD1 4.31Å; I469-I473 HydrophobicContact CD1-CD1 4.17Å; I469-I473 HydrophobicContact CG1-CD1 3.95Å; I469-I473 WeakPolarHBondContact O-CD1 3.31Å; I469-I473 WeakPolarHBondContact O-CG1 3.14Å; I469-I473 PolarHBondContact O-N 2.98Å; K470-I473 PolarHBondContact O-N 3.31Å; K470-I473 VanDerWaalsContact O-N 3.09Å; P471-I473 PolarHBondContact O-N 3.05Å; I473-Y503 HydrophobicContact CD1-CE1 3.45Å; I473-Y503 VanDerWaalsContact CD1-CE1 3.45Å; I473-Y503 HydrophobicContact CG1-CE1 3.92Å; I473-L504 HydrophobicContact CG1-CD2 4.37Å
474	Y	59.2	Low	67.8	Low	69 Å²	69	59.3 Å²	59.3	27%	0.271	31%	0.31	S	S	.	.			trans	-130	119.7	-171.3	-170.3	-87.4	0	0	0	113	K182 K470 N476	K182-Y474 HydrophobicContact CD-CD1 4.34Å; K182-Y474 HydrophobicContact CD-CE1 4.03Å; K182-Y474 HydrophobicContact CD-CE2 4.47Å; K182-Y474 HydrophobicContact CG-CE2 4.41Å; K470-Y474 PolarHBondContact O-N 3.33Å; Y474-N476 VanDerWaalsContact CE1-OD1 3.27Å; Y474-N476 WeakPolarHBondContact CE1-OD1 3.1Å; Y474-N476 PolarHBondContact O-N 3.14Å
475	H	55.5	Low	68.8	Low	57 Å²	57	59.2 Å²	59.2	26%	0.264	31%	0.31	S	S	.	.			trans	-75	110.2	168	-153.3	-61.7	0	0	0	110.5	N511 Q513	H475-N511 PolarHBondContact N-O 3.44Å; H475-Q513 HydrophobicContact CB-CG 4.43Å
476	N	55.4	Low	70.2	Confident	89 Å²	89	55.8 Å²	55.8	48%	0.476	29%	0.292	S	S	.	.			trans	-73.2	137	154.1	-75.4	-29	0	0	0	106.3	K182 Y474 N478	K182-N476 PolarHBondContact NZ-OD1 3.27Å; Y474-N476 VanDerWaalsContact CE1-OD1 3.27Å; Y474-N476 WeakPolarHBondContact CE1-OD1 3.1Å; Y474-N476 PolarHBondContact O-N 3.14Å; N476-N478 PolarHBondContact O-N 3.39Å
477	N	55	Low	71.8	Confident	157 Å²	157	54.9 Å²	54.9	84%	0.84	29%	0.286	S	S	*	.	S	Bend	trans	-53.6	5.5	-172.5	-76	-17.6	0	0	0	117.4
478	N	50.7	Low	73.3	Confident	140 Å²	140	52 Å²	52	75%	0.749	27%	0.27	S	S	*	.	S	Bend	trans	-106.8	106.7	177.5	-60.9	-10.6	0	0	0	108.9	N476	N476-N478 PolarHBondContact O-N 3.39Å
479	E	53.8	Low	74.4	Confident	163 Å²	163	51.1 Å²	51.1	76%	0.762	27%	0.266	S	S	*	.			trans	60.4	126.9	167.8	-62.9	-178.9	170.4	0	0	118.3	K481	E479-K481 VanDerWaalsContact C-N 3.31Å; E479-K481 PolarHBondContact O-N 3.41Å
480	S	58.4	Low	75.3	Confident	99 Å²	99	51.4 Å²	51.4	69%	0.692	27%	0.268	S	S	*	.			trans	-70.8	81.9	171.2	58	0	0	0	0	110.3
481	K	73.4	Confident	76.4	Confident	104 Å²	104	49.5 Å²	49.5	45%	0.452	26%	0.264	S	S	.	.			trans	-88.7	121.8	178.3	-158.8	168.9	-173.8	177.6	0	110	E479 Q513 Q594	E479-K481 VanDerWaalsContact C-N 3.31Å; E479-K481 PolarHBondContact O-N 3.41Å; K481-Q513 PolarHBondContact O-OE1 3.32Å; K481-Q594 HydrophobicContact CD-CG 4.17Å; K481-Q594 VanDerWaalsContact CE-CG 3.45Å; K481-Q594 HydrophobicContact CG-CG 4.1Å
482	L	84	Confident	77.5	Confident	41 Å²	41	48.6 Å²	48.6	22%	0.215	26%	0.26	C	S	.	.			trans	-62.7	135.7	172.9	-179.1	54.4	0	0	0	109	Y484 T514 E586 Q594	L482-Y484 HydrophobicContact CD2-CE1 3.79Å; L482-Y484 VanDerWaalsContact CD2-OH 3.24Å; L482-Y484 WeakPolarHBondContact CD2-OH 3.18Å; L482-Y484 HydrophobicContact CG-CE1 3.98Å; L482-Y484 HydrophobicContact CG-CE2 4.32Å; L482-T514 WeakPolarHBondContact CA-O 3.33Å; L482-T514 HydrophobicContact CD1-CG2 3.66Å; L482-T514 WeakPolarHBondContact CD1-O 3.07Å; L482-E586 WeakPolarHBondContact CD2-OE1 3.42Å; L482-Q594 VanDerWaalsContact O-CD 3.26Å; L482-Q594 PolarHBondContact O-OE1 2.88Å
483	S	89.4	Confident	78.6	Confident	12 Å²	12	48.7 Å²	48.7	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.9	173.6	-67	0	0	0	0	110.5	T514 F515 K516	S483-T514 PolarHBondContact N-O 3.07Å; S483-T514 VanDerWaalsContact N-O 3.1Å; S483-F515 CarbonylContact O-C 3.57Å; S483-F515 WeakPolarHBondContact O-CA 3.46Å; S483-F515 WeakPolarHBondContact O-CB 3.31Å; S483-K516 PolarHBondContact O-N 3.3Å
484	Y	93.4	Very high	80	Confident	8 Å²	8	48.1 Å²	48.1	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.9	176.8	-54.7	-81.9	0	0	0	109.8	L482 K516 E586 I587 N590 Q594 T595 I596	L482-Y484 HydrophobicContact CD2-CE1 3.79Å; L482-Y484 VanDerWaalsContact CD2-OH 3.24Å; L482-Y484 WeakPolarHBondContact CD2-OH 3.18Å; L482-Y484 HydrophobicContact CG-CE1 3.98Å; L482-Y484 HydrophobicContact CG-CE2 4.32Å; Y484-K516 CarbonylContact C-O 3.52Å; Y484-K516 WeakPolarHBondContact CA-O 3.37Å; Y484-K516 HydrophobicContact CD1-CB 4.06Å; Y484-K516 HydrophobicContact CE1-CB 4.42Å; Y484-E586 HydrophobicContact CE1-CG 3.72Å; Y484-E586 WeakPolarHBondContact OH-CG 3.16Å; Y484-E586 PolarHBondContact OH-OE1 3.41Å; Y484-I587 HydrophobicContact CD1-CB 4.47Å; Y484-I587 HydrophobicContact CD1-CG1 3.64Å; Y484-I587 HydrophobicContact CE1-CG1 4.2Å; Y484-I587 HydrophobicContact CG-CG1 4.31Å; Y484-N590 HydrophobicContact CD2-CB 3.6Å; Y484-N590 HydrophobicContact CE2-CB 3.36Å; Y484-N590 VanDerWaalsContact CE2-CG 3.5Å; Y484-N590 PolarHBondContact OH-ND2 3.03Å; Y484-Q594 HydrophobicContact CD2-CB 3.84Å; Y484-Q594 HydrophobicContact CE2-CB 4.11Å; Y484-Q594 PolarHBondContact N-O 2.76Å; Y484-Q594 VanDerWaalsContact N-O 3.09Å; Y484-T595 CarbonylContact O-C 3.59Å; Y484-T595 WeakPolarHBondContact O-CA 3.49Å; Y484-I596 PolarHBondContact O-N 3.02Å
485	V	95.2	Very high	81.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.2	176.8	-175.2	0	0	0	0	108.4	I472 M487 K516 L517 H518 I596 L598	I472-V485 HydrophobicContact CD1-CG2 3.34Å; V485-M487 HydrophobicContact CG1-CE 4.27Å; V485-M487 HydrophobicContact CG1-CG 4.33Å; V485-K516 PolarHBondContact N-O 3.03Å; V485-L517 HydrophobicContact CB-CB 4.2Å; V485-L517 HydrophobicContact CB-CD1 4.15Å; V485-L517 HydrophobicContact CB-CG 3.95Å; V485-L517 HydrophobicContact CG1-CD1 3.98Å; V485-L517 HydrophobicContact CG1-CG 4.07Å; V485-L517 CarbonylContact O-C 3.57Å; V485-L517 VanDerWaalsContact O-CA 3.26Å; V485-L517 WeakPolarHBondContact O-CA 3.29Å; V485-H518 PolarHBondContact O-N 2.83Å; V485-I596 WeakPolarHBondContact CA-O 3.11Å; V485-L598 HydrophobicContact CG1-CD1 4.28Å
486	I	97.4	Very high	83.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.8	173.5	-63.2	172.8	0	0	0	107.8	L488 H518 F583 I587 F591 T595 I596 C597 L598	I486-L488 HydrophobicContact CG2-CD2 3.88Å; I486-L488 HydrophobicContact CG2-CG 4.07Å; I486-H518 WeakPolarHBondContact CA-O 3.38Å; I486-F583 HydrophobicContact CB-CE1 4.4Å; I486-F583 HydrophobicContact CB-CZ 4.42Å; I486-F583 HydrophobicContact CD1-CD1 4.44Å; I486-F583 HydrophobicContact CD1-CE1 4.01Å; I486-F583 HydrophobicContact CD1-CE2 4.09Å; I486-F583 HydrophobicContact CD1-CZ 3.84Å; I486-F583 HydrophobicContact CG1-CE1 3.98Å; I486-F583 HydrophobicContact CG1-CZ 4.19Å; I486-F583 HydrophobicContact CG2-CE1 3.61Å; I486-F583 HydrophobicContact CG2-CE2 4.46Å; I486-F583 HydrophobicContact CG2-CZ 3.39Å; I486-I587 HydrophobicContact CD1-CG2 3.61Å; I486-I587 HydrophobicContact CG1-CG2 4Å; I486-F591 HydrophobicContact CD1-CD1 4.06Å; I486-F591 HydrophobicContact CD1-CE1 3.54Å; I486-T595 HydrophobicContact CD1-CG2 3.52Å; I486-T595 HydrophobicContact CG1-CG2 3.95Å; I486-I596 PolarHBondContact N-O 3.28Å; I486-C597 CarbonylContact O-C 3.55Å; I486-C597 WeakPolarHBondContact O-CA 3.39Å; I486-L598 PolarHBondContact O-N 3.27Å
487	M	98.2	Very high	85.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.1	173.1	-68.5	173	167.4	0	0	109	V485 M497 I500 I501 L517 H518 L519 I520 L598	V485-M487 HydrophobicContact CG1-CE 4.27Å; V485-M487 HydrophobicContact CG1-CG 4.33Å; M487-M497 HydrophobicContact CB-CG 4.29Å; M487-M497 HydrophobicContact CB-SD 4.29Å; M487-M497 HydrophobicContact CE-CB 4.36Å; M487-M497 HydrophobicContact CG-CG 4.39Å; M487-M497 HydrophobicContact CG-SD 4.07Å; M487-M497 HydrophobicContact SD-CB 3.73Å; M487-M497 HydrophobicContact SD-CG 4.15Å; M487-M497 HydrophobicContact SD-SD 4.28Å; M487-I500 HydrophobicContact CE-CB 3.86Å; M487-I500 HydrophobicContact CE-CG2 3.49Å; M487-I500 VanDerWaalsContact CE-CG2 3.49Å; M487-I501 HydrophobicContact CE-CG1 3.97Å; M487-I501 HydrophobicContact SD-CD1 3.92Å; M487-I501 HydrophobicContact SD-CG1 3.8Å; M487-L517 HydrophobicContact CE-CD1 3.71Å; M487-L517 HydrophobicContact SD-CD1 3.99Å; M487-L517 HydrophobicContact SD-CD2 3.9Å; M487-L517 HydrophobicContact SD-CG 4.28Å; M487-H518 PolarHBondContact N-O 2.81Å; M487-L519 HydrophobicContact CB-CB 4.31Å; M487-L519 HydrophobicContact CB-CD1 3.52Å; M487-I520 PolarHBondContact O-N 2.77Å; M487-L598 CarbonylContact C-O 3.55Å; M487-L598 WeakPolarHBondContact CA-O 3.42Å; M487-L598 HydrophobicContact CE-CD1 3.59Å; M487-L598 HydrophobicContact CG-CB 4.07Å; M487-L598 HydrophobicContact CG-CD1 4.1Å
488	L	98.2	Very high	87.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.4	175.5	-57.3	-179.7	0	0	0	108.6	I486 I520 F522 I574 F583 L598 I599 C600 F605 A609 W616	I486-L488 HydrophobicContact CG2-CD2 3.88Å; I486-L488 HydrophobicContact CG2-CG 4.07Å; L488-I520 HydrophobicContact CD2-CB 4.11Å; L488-I520 HydrophobicContact CD2-CD1 3.85Å; L488-I520 HydrophobicContact CD2-CG1 4.19Å; L488-F522 HydrophobicContact CD2-CE2 4.4Å; L488-I574 HydrophobicContact CD1-CD1 4.21Å; L488-F583 HydrophobicContact CD2-CZ 4.28Å; L488-L598 PolarHBondContact N-O 3.44Å; L488-I599 HydrophobicContact CB-CG1 4.33Å; L488-I599 HydrophobicContact CD1-CG1 4.28Å; L488-I599 WeakPolarHBondContact O-CA 3.42Å; L488-C600 PolarHBondContact O-N 3.14Å; L488-F605 HydrophobicContact CB-CE1 4.38Å; L488-F605 HydrophobicContact CB-CZ 4.12Å; L488-A609 HydrophobicContact CD1-CB 3.97Å; L488-W616 HydrophobicContact CD1-CH2 4.29Å; L488-W616 HydrophobicContact CD1-CZ3 4.18Å
489	A	97.7	Very high	89.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.9	-175.5	0	0	0	0	0	111.2	I494 L519 I520 H521 F522 C600	A489-I494 HydrophobicContact CB-CB 4.16Å; A489-L519 HydrophobicContact CB-CD1 3.99Å; A489-I520 PolarHBondContact N-O 3.17Å; A489-H521 CarbonylContact O-C 3.57Å; A489-H521 WeakPolarHBondContact O-CA 3.24Å; A489-H521 PolarHBondContact O-CD2 3.31Å; A489-F522 PolarHBondContact O-N 3.46Å; A489-C600 CarbonylContact C-O 3.6Å; A489-C600 WeakPolarHBondContact CA-O 3.43Å
490	G	94.1	Very high	90.8	Very high	5 Å²	5	17.8 Å²	17.8	5%	0.052	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.7	170.5	0	0	0	0	0	111.5	S492 G493 C600	G490-S492 PolarHBondContact O-N 2.87Å; G490-G493 PolarHBondContact O-N 3.37Å; G490-C600 PolarHBondContact N-O 3.07Å
491	G	91.3	Very high	92.4	Very high	15 Å²	15	13.1 Å²	13.1	16%	0.155	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	57.2	-118.7	176.9	0	0	0	0	0	112.9	G493 H521 F522	G491-G493 PolarHBondContact O-N 2.76Å; G491-H521 PolarHBondContact O-NE2 2.91Å; G491-F522 PolarHBondContact N-O 2.84Å
492	S	91.5	Very high	93	Very high	49 Å²	49	9.2 Å²	9.2	34%	0.343	6%	0.057	S	C	.	.	G	3₁₀ helix	trans	-68.8	-7.4	176.3	55.7	0	0	0	0	114.3	G490 I494 T495	G490-S492 PolarHBondContact O-N 2.87Å; S492-I494 PolarHBondContact O-N 3.49Å; S492-T495 WeakPolarHBondContact O-CG2 3.18Å; S492-T495 PolarHBondContact O-N 2.6Å; S492-T495 VanDerWaalsContact O-N 3.1Å; S492-T495 PolarHBondContact O-OG1 3.35Å
493	G	93.6	Very high	92.9	Very high	2 Å²	2	7.5 Å²	7.5	2%	0.021	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-62.4	-4	173	0	0	0	0	0	114.6	G490 G491 T495 P496 C600	G490-G493 PolarHBondContact O-N 3.37Å; G491-G493 PolarHBondContact O-N 2.76Å; G493-T495 VanDerWaalsContact C-N 3.29Å; G493-P496 WeakPolarHBondContact O-CD 3.48Å; G493-P496 WeakPolarHBondContact O-CG 3.14Å; G493-C600 VanDerWaalsContact CA-SG 3.6Å; G493-C600 WeakPolarHBondContact O-CB 3.35Å
494	I	95.5	Very high	92.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-68.7	-26.2	169.5	-163.4	168	0	0	0	113	A489 S492 M497 L498 L519 I530 F535	A489-I494 HydrophobicContact CB-CB 4.16Å; S492-I494 PolarHBondContact O-N 3.49Å; I494-M497 WeakPolarHBondContact O-CA 3.43Å; I494-M497 VanDerWaalsContact O-CB 3.23Å; I494-M497 WeakPolarHBondContact O-CB 3.48Å; I494-M497 PolarHBondContact O-N 3.03Å; I494-L498 HydrophobicContact CG1-CD2 4.3Å; I494-L498 PolarHBondContact O-N 2.85Å; I494-L519 HydrophobicContact CD1-CD2 4.2Å; I494-L519 HydrophobicContact CG1-CD2 4.36Å; I494-I530 HydrophobicContact CD1-CG2 4.08Å; I494-I530 HydrophobicContact CG2-CG2 4.09Å; I494-F535 HydrophobicContact CD1-CE2 3.66Å; I494-F535 HydrophobicContact CD1-CZ 3.66Å; I494-F535 HydrophobicContact CG1-CZ 4.35Å
495	T	95.5	Very high	92.3	Very high	14 Å²	14	7.3 Å²	7.3	9%	0.086	5%	0.045	C	C	.	.	H	α-helix	trans	-58.6	-45.5	-173.4	52.2	0	0	0	0	115.3	V407 L433 S492 G493 M497 L498	V407-T495 HydrophobicContact CG1-CG2 4.37Å; L433-T495 HydrophobicContact CB-CG2 4.24Å; L433-T495 HydrophobicContact CD2-CG2 4.47Å; S492-T495 WeakPolarHBondContact O-CG2 3.18Å; S492-T495 PolarHBondContact O-N 2.6Å; S492-T495 VanDerWaalsContact O-N 3.1Å; S492-T495 PolarHBondContact O-OG1 3.35Å; G493-T495 VanDerWaalsContact C-N 3.29Å; T495-M497 PolarHBondContact O-N 3.32Å; T495-L498 PolarHBondContact O-N 2.99Å
496	P	92.8	Very high	91.5	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-62.5	-24	173.6	24.4	-35.9	0	0	0	113.7	T405 G493 C600 F626	T405-P496 HydrophobicContact CG2-CB 3.92Å; G493-P496 WeakPolarHBondContact O-CD 3.48Å; G493-P496 WeakPolarHBondContact O-CG 3.14Å; P496-C600 HydrophobicContact CG-CB 3.68Å; P496-F626 HydrophobicContact CB-CB 4.29Å; P496-F626 HydrophobicContact CB-CD1 3.82Å; P496-F626 HydrophobicContact CB-CD2 3.81Å; P496-F626 HydrophobicContact CB-CE1 4.08Å; P496-F626 HydrophobicContact CB-CE2 4.05Å; P496-F626 HydrophobicContact CB-CG 3.69Å; P496-F626 HydrophobicContact CB-CZ 4.19Å; P496-F626 HydrophobicContact CG-CB 4.14Å; P496-F626 HydrophobicContact CG-CD2 3.88Å; P496-F626 HydrophobicContact CG-CE2 4.44Å; P496-F626 HydrophobicContact CG-CG 3.93Å
497	M	95.2	Very high	89.9	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-75.2	-31.9	-178	-48.7	-45.8	177.1	0	0	111.8	M487 I494 T495 R499 I500 I501 L598 C600 F626	M487-M497 HydrophobicContact CB-CG 4.29Å; M487-M497 HydrophobicContact CB-SD 4.29Å; M487-M497 HydrophobicContact CE-CB 4.36Å; M487-M497 HydrophobicContact CG-CG 4.39Å; M487-M497 HydrophobicContact CG-SD 4.07Å; M487-M497 HydrophobicContact SD-CB 3.73Å; M487-M497 HydrophobicContact SD-CG 4.15Å; M487-M497 HydrophobicContact SD-SD 4.28Å; I494-M497 WeakPolarHBondContact O-CA 3.43Å; I494-M497 VanDerWaalsContact O-CB 3.23Å; I494-M497 WeakPolarHBondContact O-CB 3.48Å; I494-M497 PolarHBondContact O-N 3.03Å; T495-M497 PolarHBondContact O-N 3.32Å; M497-R499 PolarHBondContact O-N 3Å; M497-I500 PolarHBondContact O-N 3.04Å; M497-I500 VanDerWaalsContact O-N 3.15Å; M497-I501 HydrophobicContact CB-CD1 4.35Å; M497-I501 WeakPolarHBondContact O-CG1 3.42Å; M497-I501 PolarHBondContact O-N 2.82Å; M497-L598 HydrophobicContact CE-CB 4.14Å; M497-L598 HydrophobicContact SD-CB 4.02Å; M497-C600 HydrophobicContact CE-CB 3.75Å; M497-F626 HydrophobicContact CE-CD2 3.88Å; M497-F626 HydrophobicContact CE-CE2 3.94Å; M497-F626 HydrophobicContact SD-CD2 4.3Å; M497-F626 HydrophobicContact SD-CE2 3.83Å
498	L	94	Very high	88	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-60.2	-47.5	-172.1	-63.4	179.7	0	0	0	113.1	V407 L411 L433 I494 T495 I500 I501 H502 L531 F535	V407-L498 HydrophobicContact CB-CD1 4.38Å; V407-L498 HydrophobicContact CG1-CB 4.49Å; V407-L498 HydrophobicContact CG1-CD1 3.81Å; L411-L498 HydrophobicContact CD2-CD1 4.32Å; L433-L498 HydrophobicContact CD2-CD1 3.91Å; I494-L498 HydrophobicContact CG1-CD2 4.3Å; I494-L498 PolarHBondContact O-N 2.85Å; T495-L498 PolarHBondContact O-N 2.99Å; L498-I500 VanDerWaalsContact C-N 3.33Å; L498-I500 PolarHBondContact O-N 3.17Å; L498-I501 PolarHBondContact O-N 3Å; L498-H502 WeakPolarHBondContact O-CB 3.44Å; L498-H502 PolarHBondContact O-N 3.01Å; L498-L531 HydrophobicContact CD1-CD1 3.72Å; L498-L531 HydrophobicContact CD2-CD1 3.67Å; L498-L531 HydrophobicContact CG-CD1 4.36Å; L498-F535 HydrophobicContact CD2-CE1 4.24Å; L498-F535 HydrophobicContact CD2-CZ 3.66Å
499	R	89.2	Confident	86.3	Confident	21 Å²	21	19.6 Å²	19.6	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-67.7	-34	177.6	-73.3	-177.6	67.7	-165.1	2.8	112.2	I382 I384 P406 M497 Y503	I382-R499 PolarHBondContact O-NH1 2.87Å; I382-R499 PolarHBondContact O-NH2 2.94Å; I384-R499 HydrophobicContact CD1-CB 4.07Å; I384-R499 HydrophobicContact CG1-CB 4.17Å; I384-R499 HydrophobicContact CG2-CB 4.45Å; P406-R499 WeakPolarHBondContact O-CD 3.5Å; M497-R499 PolarHBondContact O-N 3Å; R499-Y503 WeakPolarHBondContact O-CB 3.48Å; R499-Y503 PolarHBondContact O-N 3.41Å
500	I	89.1	Confident	84.3	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-46.2	176.3	-62.4	172.6	0	0	0	110	I384 F464 M487 M497 L498 Y503 L504 L598 F626	I384-I500 HydrophobicContact CG2-CD1 4.33Å; I384-I500 HydrophobicContact CG2-CG1 3.48Å; I384-I500 VanDerWaalsContact CG2-CG1 3.48Å; F464-I500 HydrophobicContact CE2-CD1 4.13Å; F464-I500 HydrophobicContact CZ-CD1 3.9Å; M487-I500 HydrophobicContact CE-CB 3.86Å; M487-I500 HydrophobicContact CE-CG2 3.49Å; M487-I500 VanDerWaalsContact CE-CG2 3.49Å; M497-I500 PolarHBondContact O-N 3.04Å; M497-I500 VanDerWaalsContact O-N 3.15Å; L498-I500 VanDerWaalsContact C-N 3.33Å; L498-I500 PolarHBondContact O-N 3.17Å; I500-Y503 PolarHBondContact O-N 3.05Å; I500-L504 HydrophobicContact CG2-CD1 3.95Å; I500-L504 HydrophobicContact CG2-CG 4.34Å; I500-L504 WeakPolarHBondContact O-CB 3.42Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.17Å; I500-L504 PolarHBondContact O-N 3.11Å; I500-L598 HydrophobicContact CD1-CD1 3.8Å; I500-L598 HydrophobicContact CG2-CD1 4.26Å; I500-F626 HydrophobicContact CD1-CE1 4.48Å; I500-F626 HydrophobicContact CD1-CE2 4.3Å; I500-F626 HydrophobicContact CD1-CZ 3.6Å
501	I	91.7	Very high	82.5	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-55.1	175.4	-68.7	168.3	0	0	0	109.7	M487 M497 L498 Y503 L504 F505 L517 L519 F535 L538 F546	M487-I501 HydrophobicContact CE-CG1 3.97Å; M487-I501 HydrophobicContact SD-CD1 3.92Å; M487-I501 HydrophobicContact SD-CG1 3.8Å; M497-I501 HydrophobicContact CB-CD1 4.35Å; M497-I501 WeakPolarHBondContact O-CG1 3.42Å; M497-I501 PolarHBondContact O-N 2.82Å; L498-I501 PolarHBondContact O-N 3Å; I501-Y503 PolarHBondContact O-N 2.98Å; I501-L504 PolarHBondContact O-N 2.94Å; I501-L504 VanDerWaalsContact O-N 3.09Å; I501-F505 HydrophobicContact CG2-CD2 3.98Å; I501-F505 HydrophobicContact CG2-CE2 4.4Å; I501-F505 WeakPolarHBondContact O-CD2 3.48Å; I501-F505 PolarHBondContact O-N 3.12Å; I501-L517 HydrophobicContact CG1-CD1 4.25Å; I501-L517 HydrophobicContact CG1-CD2 4.41Å; I501-L519 HydrophobicContact CD1-CD2 4.1Å; I501-F535 HydrophobicContact CD1-CE1 4.04Å; I501-L538 HydrophobicContact CG2-CD2 3.42Å; I501-L538 VanDerWaalsContact CG2-CD2 3.42Å; I501-F546 HydrophobicContact CD1-CE2 4.19Å; I501-F546 HydrophobicContact CG2-CE2 4.43Å
502	H	87	Confident	81	Confident	23 Å²	23	30.2 Å²	30.2	11%	0.106	17%	0.173	C	C	.	.	H	α-helix	trans	-51.5	-47.6	178.4	-175.4	-85.4	0	0	0	110.8	S415 L498 L504 F505 T506	S415-H502 PolarHBondContact OG-CD2 2.92Å; S415-H502 PolarHBondContact OG-NE2 3.01Å; L498-H502 WeakPolarHBondContact O-CB 3.44Å; L498-H502 PolarHBondContact O-N 3.01Å; H502-L504 PolarHBondContact O-N 3.46Å; H502-F505 PolarHBondContact O-N 2.68Å; H502-T506 PolarHBondContact CE1-OG1 2.69Å; H502-T506 VanDerWaalsContact CE1-OG1 3.23Å; H502-T506 PolarHBondContact ND1-OG1 3.16Å; H502-T506 WeakPolarHBondContact O-CB 3.43Å; H502-T506 PolarHBondContact O-N 2.72Å; H502-T506 PolarHBondContact O-OG1 3.41Å
503	Y	80.5	Confident	79.6	Confident	4 Å²	4	29 Å²	29	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-35	-179.4	175.6	-90.7	0	0	0	114.7	N185 L187 I384 I469 I473 R499 I500 I501 R509	N185-Y503 HydrophobicContact CB-CE2 4.21Å; N185-Y503 WeakPolarHBondContact CB-OH 3.49Å; N185-Y503 PolarHBondContact ND2-OH 2.98Å; N185-Y503 PolarHBondContact OD1-OH 3.45Å; L187-Y503 HydrophobicContact CB-CE2 4.39Å; L187-Y503 HydrophobicContact CD1-CD1 3.96Å; L187-Y503 HydrophobicContact CD1-CD2 4.32Å; L187-Y503 HydrophobicContact CD1-CE1 3.4Å; L187-Y503 HydrophobicContact CD1-CE2 3.78Å; L187-Y503 HydrophobicContact CD1-CG 4.39Å; L187-Y503 WeakPolarHBondContact CD1-OH 3.38Å; L187-Y503 HydrophobicContact CG-CD1 4.44Å; L187-Y503 HydrophobicContact CG-CD2 3.95Å; L187-Y503 HydrophobicContact CG-CE1 4.08Å; L187-Y503 HydrophobicContact CG-CE2 3.52Å; L187-Y503 HydrophobicContact CG-CG 4.38Å; I384-Y503 HydrophobicContact CD1-CD2 4.32Å; I384-Y503 HydrophobicContact CD1-CG 4.09Å; I469-Y503 HydrophobicContact CD1-CD1 4.42Å; I469-Y503 HydrophobicContact CD1-CE1 4.47Å; I473-Y503 HydrophobicContact CD1-CE1 3.45Å; I473-Y503 VanDerWaalsContact CD1-CE1 3.45Å; I473-Y503 HydrophobicContact CG1-CE1 3.92Å; R499-Y503 WeakPolarHBondContact O-CB 3.48Å; R499-Y503 PolarHBondContact O-N 3.41Å; I500-Y503 PolarHBondContact O-N 3.05Å; I501-Y503 PolarHBondContact O-N 2.98Å; Y503-R509 VanDerWaalsContact CZ-NH1 3.27Å; Y503-R509 PolarHBondContact O-NH1 2.8Å; Y503-R509 PolarHBondContact O-NH2 2.67Å; Y503-R509 PolarHBondContact OH-NH1 3.3Å
504	L	83.9	Confident	78.9	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-75.5	-27.3	178.7	-73.4	176.8	0	0	0	112.7	I472 I473 I500 I501 H502 F515 L517	I472-L504 HydrophobicContact CG2-CD2 3.94Å; I473-L504 HydrophobicContact CG1-CD2 4.37Å; I500-L504 HydrophobicContact CG2-CD1 3.95Å; I500-L504 HydrophobicContact CG2-CG 4.34Å; I500-L504 WeakPolarHBondContact O-CB 3.42Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.17Å; I500-L504 PolarHBondContact O-N 3.11Å; I501-L504 PolarHBondContact O-N 2.94Å; I501-L504 VanDerWaalsContact O-N 3.09Å; H502-L504 PolarHBondContact O-N 3.46Å; L504-F515 HydrophobicContact CB-CE2 4.27Å; L504-F515 HydrophobicContact CB-CZ 3.89Å; L504-F515 HydrophobicContact CD1-CE2 4.43Å; L504-L517 HydrophobicContact CD1-CD1 3.8Å
505	F	86	Confident	78.6	Confident	14 Å²	14	32.9 Å²	32.9	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-103.8	-18.8	-176.1	-74.2	-83.1	0	0	0	114.6	I416 I501 H502 F515 L517 L538 F542 K545 F546	I416-F505 HydrophobicContact CD1-CB 4.33Å; I416-F505 HydrophobicContact CG2-CB 3.91Å; I416-F505 WeakPolarHBondContact CG2-O 3.46Å; I501-F505 HydrophobicContact CG2-CD2 3.98Å; I501-F505 HydrophobicContact CG2-CE2 4.4Å; I501-F505 WeakPolarHBondContact O-CD2 3.48Å; I501-F505 PolarHBondContact O-N 3.12Å; H502-F505 PolarHBondContact O-N 2.68Å; F505-F515 HydrophobicContact CD1-CZ 4.39Å; F505-F515 HydrophobicContact CD2-CZ 4.42Å; F505-F515 HydrophobicContact CE1-CE2 4.19Å; F505-F515 HydrophobicContact CE1-CZ 4.01Å; F505-F515 AromaticContact CE2-CE2 3.79Å; F505-F515 HydrophobicContact CE2-CE2 3.79Å; F505-F515 HydrophobicContact CE2-CZ 4.03Å; F505-F515 AromaticContact CZ-CE2 3.55Å; F505-F515 HydrophobicContact CZ-CE2 3.55Å; F505-F515 AromaticContact CZ-CZ 3.79Å; F505-F515 HydrophobicContact CZ-CZ 3.79Å; F505-L517 HydrophobicContact CE2-CD1 4.4Å; F505-L538 HydrophobicContact CB-CD1 4.11Å; F505-L538 HydrophobicContact CD1-CD1 4.13Å; F505-L538 HydrophobicContact CD2-CD1 4.37Å; F505-L538 HydrophobicContact CD2-CD2 4.35Å; F505-L538 HydrophobicContact CG-CD1 3.94Å; F505-F542 HydrophobicContact CB-CE2 4.26Å; F505-F542 HydrophobicContact CD1-CB 4.3Å; F505-F542 HydrophobicContact CD1-CD1 4.3Å; F505-F542 AromaticContact CD1-CD2 3.44Å; F505-F542 HydrophobicContact CD1-CD2 3.44Å; F505-F542 VanDerWaalsContact CD1-CD2 3.44Å; F505-F542 HydrophobicContact CD1-CE1 4.46Å; F505-F542 AromaticContact CD1-CE2 3.63Å; F505-F542 HydrophobicContact CD1-CE2 3.63Å; F505-F542 AromaticContact CD1-CG 3.78Å; F505-F542 HydrophobicContact CD1-CG 3.78Å; F505-F542 HydrophobicContact CD1-CZ 4.14Å; F505-F542 HydrophobicContact CE1-CB 3.85Å; F505-F542 HydrophobicContact CE1-CD1 4.46Å; F505-F542 AromaticContact CE1-CD2 3.86Å; F505-F542 HydrophobicContact CE1-CD2 3.86Å; F505-F542 HydrophobicContact CE1-CE2 4.48Å; F505-F542 AromaticContact CE1-CG 3.83Å; F505-F542 HydrophobicContact CE1-CG 3.83Å; F505-F542 HydrophobicContact CG-CD2 4.4Å; F505-F542 HydrophobicContact CG-CE2 4.36Å; F505-K545 HydrophobicContact CE1-CB 3.99Å; F505-K545 HydrophobicContact CZ-CB 4.28Å; F505-F546 HydrophobicContact CE1-CB 4.07Å; F505-F546 HydrophobicContact CE2-CB 4.31Å; F505-F546 AromaticContact CE2-CD2 3.98Å; F505-F546 HydrophobicContact CE2-CD2 3.98Å; F505-F546 HydrophobicContact CZ-CB 3.62Å; F505-F546 HydrophobicContact CZ-CD2 4.11Å; F505-F546 HydrophobicContact CZ-CG 4.27Å
506	T	78.4	Confident	78.5	Confident	27 Å²	27	33.6 Å²	33.6	17%	0.166	19%	0.187	C	C	.	.	S	Bend	trans	-80.6	135.7	177.8	-54.1	0	0	0	0	111.2	H502	H502-T506 PolarHBondContact CE1-OG1 2.69Å; H502-T506 VanDerWaalsContact CE1-OG1 3.23Å; H502-T506 PolarHBondContact ND1-OG1 3.16Å; H502-T506 WeakPolarHBondContact O-CB 3.43Å; H502-T506 PolarHBondContact O-N 2.72Å; H502-T506 PolarHBondContact O-OG1 3.41Å
507	G	65.3	Low	78.6	Confident	28 Å²	28	33.6 Å²	33.6	29%	0.289	19%	0.187	S	C	.	.	S	Bend	trans	89.4	135.6	173.9	0	0	0	0	0	114.2	N419 R509	N419-G507 VanDerWaalsContact OD1-CA 3.3Å; N419-G507 WeakPolarHBondContact OD1-CA 3.42Å; G507-R509 PolarHBondContact O-N 2.49Å
508	N	57.5	Low	78.7	Confident	157 Å²	157	34 Å²	34	84%	0.84	19%	0.189	S	C	*	.			trans	-82	82.7	173.5	-152	2.1	0	0	0	109.6	P510	N508-P510 WeakPolarHBondContact O-CD 3.46Å
509	R	61.9	Low	78.9	Confident	47 Å²	47	33.9 Å²	33.9	18%	0.177	19%	0.188	C	C	.	.			trans	-85.4	115.2	-177.4	-69.7	-176.7	-173.4	141.1	6.5	110.4	N185 Y503 G507 N511 L512	N185-R509 PolarHBondContact OD1-NE 3.43Å; Y503-R509 VanDerWaalsContact CZ-NH1 3.27Å; Y503-R509 PolarHBondContact O-NH1 2.8Å; Y503-R509 PolarHBondContact O-NH2 2.67Å; Y503-R509 PolarHBondContact OH-NH1 3.3Å; G507-R509 PolarHBondContact O-N 2.49Å; R509-N511 PolarHBondContact O-N 3.11Å; R509-N511 VanDerWaalsContact O-N 3.11Å; R509-L512 HydrophobicContact CB-CB 4.04Å; R509-L512 WeakPolarHBondContact O-CB 3.47Å; R509-L512 PolarHBondContact O-N 2.96Å
510	P	56.1	Low	79.3	Confident	114 Å²	114	32.9 Å²	32.9	74%	0.74	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.7	-174.7	23.8	-33.1	0	0	0	114.2	N508	N508-P510 WeakPolarHBondContact O-CD 3.46Å
511	N	56.3	Low	79.6	Confident	88 Å²	88	32.9 Å²	32.9	47%	0.471	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8.6	-176.5	-61.7	-20.3	0	0	0	113.9	H475 R509 Q513	H475-N511 PolarHBondContact N-O 3.44Å; R509-N511 PolarHBondContact O-N 3.11Å; R509-N511 VanDerWaalsContact O-N 3.11Å; N511-Q513 PolarHBondContact O-N 3.06Å
512	L	59.7	Low	79.8	Confident	42 Å²	42	33.7 Å²	33.7	22%	0.22	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-64.3	119.4	179.3	-168.8	63.9	0	0	0	109	I472 R509 F515	I472-L512 HydrophobicContact CG2-CD1 4.45Å; R509-L512 HydrophobicContact CB-CB 4.04Å; R509-L512 WeakPolarHBondContact O-CB 3.47Å; R509-L512 PolarHBondContact O-N 2.96Å; L512-F515 HydrophobicContact CD1-CE1 4.36Å; L512-F515 HydrophobicContact CD2-CE1 3.95Å; L512-F515 HydrophobicContact CG-CD1 4.44Å; L512-F515 HydrophobicContact CG-CE1 4.19Å
513	Q	62.2	Low	80	Confident	23 Å²	23	33 Å²	33	11%	0.107	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-62.6	152.9	172.9	-72	-163.8	-26.1	0	0	109.6	P471 I472 H475 K481 N511 F515	P471-Q513 PolarHBondContact O-OE1 3.22Å; I472-Q513 WeakPolarHBondContact O-CB 3.42Å; I472-Q513 PolarHBondContact O-N 2.83Å; H475-Q513 HydrophobicContact CB-CG 4.43Å; K481-Q513 PolarHBondContact O-OE1 3.32Å; N511-Q513 PolarHBondContact O-N 3.06Å; Q513-F515 PolarHBondContact O-N 3.39Å
514	T	79.2	Confident	80.4	Confident	81 Å²	81	39.6 Å²	39.6	50%	0.497	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-62.9	128.1	170.4	-43.8	0	0	0	0	108.1	L482 S483	L482-T514 WeakPolarHBondContact CA-O 3.33Å; L482-T514 HydrophobicContact CD1-CG2 3.66Å; L482-T514 WeakPolarHBondContact CD1-O 3.07Å; S483-T514 PolarHBondContact N-O 3.07Å; S483-T514 VanDerWaalsContact N-O 3.1Å
515	F	89.5	Confident	80.4	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.9	173.6	71.3	-87.5	0	0	0	110.2	I472 S483 L504 F505 L512 Q513 L517	I472-F515 HydrophobicContact CG2-CB 3.69Å; I472-F515 HydrophobicContact CG2-CD1 3.46Å; I472-F515 VanDerWaalsContact CG2-CD1 3.46Å; I472-F515 HydrophobicContact CG2-CE1 4.24Å; I472-F515 HydrophobicContact CG2-CG 3.65Å; S483-F515 CarbonylContact O-C 3.57Å; S483-F515 WeakPolarHBondContact O-CA 3.46Å; S483-F515 WeakPolarHBondContact O-CB 3.31Å; L504-F515 HydrophobicContact CB-CE2 4.27Å; L504-F515 HydrophobicContact CB-CZ 3.89Å; L504-F515 HydrophobicContact CD1-CE2 4.43Å; F505-F515 HydrophobicContact CD1-CZ 4.39Å; F505-F515 HydrophobicContact CD2-CZ 4.42Å; F505-F515 HydrophobicContact CE1-CE2 4.19Å; F505-F515 HydrophobicContact CE1-CZ 4.01Å; F505-F515 AromaticContact CE2-CE2 3.79Å; F505-F515 HydrophobicContact CE2-CE2 3.79Å; F505-F515 HydrophobicContact CE2-CZ 4.03Å; F505-F515 AromaticContact CZ-CE2 3.55Å; F505-F515 HydrophobicContact CZ-CE2 3.55Å; F505-F515 AromaticContact CZ-CZ 3.79Å; F505-F515 HydrophobicContact CZ-CZ 3.79Å; L512-F515 HydrophobicContact CD1-CE1 4.36Å; L512-F515 HydrophobicContact CD2-CE1 3.95Å; L512-F515 HydrophobicContact CG-CD1 4.44Å; L512-F515 HydrophobicContact CG-CE1 4.19Å; Q513-F515 PolarHBondContact O-N 3.39Å; F515-L517 HydrophobicContact CD2-CB 4.27Å; F515-L517 HydrophobicContact CE2-CB 4.22Å
516	K	93.2	Very high	80.3	Confident	29 Å²	29	41.3 Å²	41.3	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.8	170.2	-174.6	170	178.3	174.2	0	108.7	S483 Y484 V485 K545 D584 E586	S483-K516 PolarHBondContact O-N 3.3Å; Y484-K516 CarbonylContact C-O 3.52Å; Y484-K516 WeakPolarHBondContact CA-O 3.37Å; Y484-K516 HydrophobicContact CD1-CB 4.06Å; Y484-K516 HydrophobicContact CE1-CB 4.42Å; V485-K516 PolarHBondContact N-O 3.03Å; K516-K545 CarbonylContact C-O 3.58Å; K516-K545 WeakPolarHBondContact CA-O 3.34Å; K516-D584 WeakPolarHBondContact CE-OD2 2.92Å; K516-D584 IonicContact NZ-OD2 2.54Å; K516-D584 PolarHBondContact NZ-OD2 3.29Å; K516-E586 IonicContact NZ-OE2 2.86Å; K516-E586 PolarHBondContact NZ-OE2 2.79Å
517	L	95.5	Very high	80.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	-176.6	-171.7	154.9	0	0	0	109.5	V485 M487 I501 L504 F505 F515 L519 K545 F546 S547	V485-L517 HydrophobicContact CB-CB 4.2Å; V485-L517 HydrophobicContact CB-CD1 4.15Å; V485-L517 HydrophobicContact CB-CG 3.95Å; V485-L517 HydrophobicContact CG1-CD1 3.98Å; V485-L517 HydrophobicContact CG1-CG 4.07Å; V485-L517 CarbonylContact O-C 3.57Å; V485-L517 VanDerWaalsContact O-CA 3.26Å; V485-L517 WeakPolarHBondContact O-CA 3.29Å; M487-L517 HydrophobicContact CE-CD1 3.71Å; M487-L517 HydrophobicContact SD-CD1 3.99Å; M487-L517 HydrophobicContact SD-CD2 3.9Å; M487-L517 HydrophobicContact SD-CG 4.28Å; I501-L517 HydrophobicContact CG1-CD1 4.25Å; I501-L517 HydrophobicContact CG1-CD2 4.41Å; L504-L517 HydrophobicContact CD1-CD1 3.8Å; F505-L517 HydrophobicContact CE2-CD1 4.4Å; F515-L517 HydrophobicContact CD2-CB 4.27Å; F515-L517 HydrophobicContact CE2-CB 4.22Å; L517-L519 HydrophobicContact CD2-CB 4.37Å; L517-K545 PolarHBondContact N-O 2.88Å; L517-F546 HydrophobicContact CD2-CD2 3.72Å; L517-F546 HydrophobicContact CD2-CE2 3.66Å; L517-F546 WeakPolarHBondContact O-CA 3.35Å; L517-S547 PolarHBondContact O-N 3.48Å
518	H	96.9	Very high	81.6	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.3	172.5	-161.2	103.3	0	0	0	110.2	V485 I486 M487 S547 T549 C582 F583 I587	V485-H518 PolarHBondContact O-N 2.83Å; I486-H518 WeakPolarHBondContact CA-O 3.38Å; M487-H518 PolarHBondContact N-O 2.81Å; H518-S547 WeakPolarHBondContact CA-O 3.49Å; H518-S547 PolarHBondContact CE1-OG 3.49Å; H518-S547 PolarHBondContact ND1-OG 2.84Å; H518-T549 PolarHBondContact CE1-OG1 2.93Å; H518-T549 PolarHBondContact NE2-OG1 2.92Å; H518-C582 PolarHBondContact CE1-O 3.47Å; H518-C582 PolarHBondContact NE2-O 2.97Å; H518-F583 HydrophobicContact CB-CD1 4.3Å; H518-F583 HydrophobicContact CB-CE1 4.4Å; H518-I587 HydrophobicContact CB-CD1 4.06Å
519	L	97.8	Very high	83.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.9	174.5	170.9	61.1	0	0	0	110	M487 A489 I494 I501 L517 F535 S547 I548 T549	M487-L519 HydrophobicContact CB-CB 4.31Å; M487-L519 HydrophobicContact CB-CD1 3.52Å; A489-L519 HydrophobicContact CB-CD1 3.99Å; I494-L519 HydrophobicContact CD1-CD2 4.2Å; I494-L519 HydrophobicContact CG1-CD2 4.36Å; I501-L519 HydrophobicContact CD1-CD2 4.1Å; L517-L519 HydrophobicContact CD2-CB 4.37Å; L519-F535 HydrophobicContact CD2-CE1 4.02Å; L519-F535 HydrophobicContact CD2-CZ 4.02Å; L519-S547 PolarHBondContact N-O 3.34Å; L519-I548 HydrophobicContact CB-CB 4.48Å; L519-I548 HydrophobicContact CB-CG1 4.18Å; L519-I548 HydrophobicContact CD2-CD1 3.68Å; L519-I548 HydrophobicContact CD2-CG1 4.12Å; L519-I548 HydrophobicContact CG-CD1 4.14Å; L519-I548 HydrophobicContact CG-CG1 4.04Å; L519-I548 CarbonylContact O-C 3.53Å; L519-I548 VanDerWaalsContact O-CA 3.24Å; L519-I548 WeakPolarHBondContact O-CA 3.29Å; L519-T549 PolarHBondContact O-N 2.82Å
520	I	97.5	Very high	84.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.7	166.2	-48.9	179.4	0	0	0	108.4	M487 L488 A489 F522 T549 V551 C579 C582 F583	M487-I520 PolarHBondContact O-N 2.77Å; L488-I520 HydrophobicContact CD2-CB 4.11Å; L488-I520 HydrophobicContact CD2-CD1 3.85Å; L488-I520 HydrophobicContact CD2-CG1 4.19Å; A489-I520 PolarHBondContact N-O 3.17Å; I520-F522 HydrophobicContact CB-CD2 4.48Å; I520-F522 HydrophobicContact CB-CE2 3.88Å; I520-F522 HydrophobicContact CB-CZ 4.48Å; I520-F522 HydrophobicContact CG2-CD2 3.87Å; I520-F522 HydrophobicContact CG2-CE1 4.36Å; I520-F522 HydrophobicContact CG2-CE2 3.33Å; I520-F522 HydrophobicContact CG2-CZ 3.61Å; I520-T549 CarbonylContact C-O 3.54Å; I520-T549 WeakPolarHBondContact CA-O 3.3Å; I520-V551 HydrophobicContact CG2-CG2 3.7Å; I520-C579 HydrophobicContact CD1-CB 4.43Å; I520-C582 HydrophobicContact CD1-CB 3.48Å; I520-C582 VanDerWaalsContact CD1-CB 3.48Å; I520-C582 HydrophobicContact CG1-CB 3.93Å; I520-F583 HydrophobicContact CD1-CD1 4.33Å; I520-F583 HydrophobicContact CD1-CE1 3.49Å; I520-F583 VanDerWaalsContact CD1-CE1 3.49Å; I520-F583 HydrophobicContact CD1-CE2 4.27Å; I520-F583 HydrophobicContact CD1-CZ 3.44Å; I520-F583 VanDerWaalsContact CD1-CZ 3.44Å; I520-F583 HydrophobicContact CG1-CE1 3.98Å; I520-F583 HydrophobicContact CG1-CZ 4.32Å
521	H	96.5	Very high	86.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	103.2	178.2	-172.5	-154.4	0	0	0	110.4	A489 G491 I523 T549 H550 V551	A489-H521 CarbonylContact O-C 3.57Å; A489-H521 WeakPolarHBondContact O-CA 3.24Å; A489-H521 PolarHBondContact O-CD2 3.31Å; G491-H521 PolarHBondContact O-NE2 2.91Å; H521-I523 WeakPolarHBondContact CE1-CG2 3.22Å; H521-I523 WeakPolarHBondContact ND1-CG2 3.28Å; H521-I523 VanDerWaalsContact NE2-CG2 3.32Å; H521-I523 WeakPolarHBondContact NE2-CG2 3.31Å; H521-I523 PolarHBondContact O-N 3.2Å; H521-T549 PolarHBondContact N-O 2.98Å; H521-H550 AromaticContact ND1-CE1 3.91Å; H521-H550 AromaticContact ND1-ND1 3.71Å; H521-H550 WeakPolarHBondContact O-CA 3.33Å; H521-V551 PolarHBondContact O-N 2.8Å
522	F	95.5	Very high	87.9	Confident	17 Å²	17	29.6 Å²	29.6	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113	175.1	-63.1	-96.7	0	0	0	109.2	L488 A489 G491 I520 V551 I574 L578 F605	L488-F522 HydrophobicContact CD2-CE2 4.4Å; A489-F522 PolarHBondContact O-N 3.46Å; G491-F522 PolarHBondContact N-O 2.84Å; I520-F522 HydrophobicContact CB-CD2 4.48Å; I520-F522 HydrophobicContact CB-CE2 3.88Å; I520-F522 HydrophobicContact CB-CZ 4.48Å; I520-F522 HydrophobicContact CG2-CD2 3.87Å; I520-F522 HydrophobicContact CG2-CE1 4.36Å; I520-F522 HydrophobicContact CG2-CE2 3.33Å; I520-F522 HydrophobicContact CG2-CZ 3.61Å; F522-V551 CarbonylContact C-O 3.22Å; F522-V551 WeakPolarHBondContact CA-O 3.48Å; F522-V551 HydrophobicContact CD1-CB 3.61Å; F522-V551 HydrophobicContact CD1-CG1 3.62Å; F522-V551 HydrophobicContact CD1-CG2 4.11Å; F522-V551 HydrophobicContact CE1-CB 3.9Å; F522-V551 HydrophobicContact CE1-CG1 3.82Å; F522-V551 HydrophobicContact CE1-CG2 3.91Å; F522-V551 HydrophobicContact CG-CB 4.23Å; F522-V551 HydrophobicContact CZ-CG2 4.38Å; F522-I574 HydrophobicContact CD1-CB 4.26Å; F522-I574 HydrophobicContact CE1-CB 3.74Å; F522-I574 HydrophobicContact CE1-CG1 4.29Å; F522-I574 HydrophobicContact CE2-CB 4.38Å; F522-I574 HydrophobicContact CE2-CD1 4.24Å; F522-I574 HydrophobicContact CE2-CG1 4.36Å; F522-I574 HydrophobicContact CZ-CB 3.8Å; F522-I574 HydrophobicContact CZ-CD1 4.23Å; F522-I574 HydrophobicContact CZ-CG1 3.85Å; F522-L578 HydrophobicContact CE1-CD2 4.2Å; F522-F605 HydrophobicContact CB-CE2 3.99Å; F522-F605 HydrophobicContact CD1-CE2 4.39Å; F522-F605 AromaticContact CD2-CE2 3.4Å; F522-F605 HydrophobicContact CD2-CE2 3.4Å; F522-F605 AromaticContact CD2-CZ 3.59Å; F522-F605 HydrophobicContact CD2-CZ 3.59Å; F522-F605 AromaticContact CE2-CE2 3.9Å; F522-F605 HydrophobicContact CE2-CE2 3.9Å; F522-F605 HydrophobicContact CE2-CZ 4Å; F522-F605 AromaticContact CG-CE2 3.67Å; F522-F605 HydrophobicContact CG-CE2 3.67Å; F522-F605 HydrophobicContact CG-CZ 4.3Å
523	I	91.2	Very high	89.3	Confident	8 Å²	8	31 Å²	31	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	165.9	-178.8	56.7	178	0	0	0	110.3	H521 S525 D528 Q529 V551 L552 S553	H521-I523 WeakPolarHBondContact CE1-CG2 3.22Å; H521-I523 WeakPolarHBondContact ND1-CG2 3.28Å; H521-I523 VanDerWaalsContact NE2-CG2 3.32Å; H521-I523 WeakPolarHBondContact NE2-CG2 3.31Å; H521-I523 PolarHBondContact O-N 3.2Å; I523-S525 WeakPolarHBondContact CD1-O 3.46Å; I523-D528 HydrophobicContact CB-CB 4.02Å; I523-D528 HydrophobicContact CG2-CB 4.43Å; I523-Q529 HydrophobicContact CD1-CB 4.43Å; I523-Q529 HydrophobicContact CD1-CG 3.35Å; I523-V551 PolarHBondContact N-O 2.86Å; I523-L552 HydrophobicContact CD1-CD1 4.03Å; I523-L552 HydrophobicContact CD1-CG 4.38Å; I523-L552 HydrophobicContact CG1-CD1 3.96Å; I523-L552 HydrophobicContact CG1-CG 4.1Å; I523-L552 WeakPolarHBondContact O-CA 3.37Å; I523-S553 PolarHBondContact O-N 2.76Å
524	R	87.9	Confident	90.8	Very high	143 Å²	143	30.3 Å²	30.3	54%	0.54	16%	0.157	S	C	.	.	S	Bend	trans	-76.9	-53.4	-179.6	178.4	-178.6	176.4	174.1	5.9	110.8	D528 S553 E554	R524-D528 WeakPolarHBondContact CB-OD2 3.23Å; R524-S553 WeakPolarHBondContact CA-OG 3.05Å; R524-S553 PolarHBondContact O-N 2.84Å; R524-E554 HydrophobicContact CG-CB 4.44Å; R524-E554 HydrophobicContact CG-CG 4.16Å; R524-E554 IonicContact CZ-OE1 3.41Å; R524-E554 IonicContact CZ-OE2 3.12Å; R524-E554 IonicContact NE-OE1 3.7Å; R524-E554 PolarHBondContact NE-OE1 3.46Å; R524-E554 IonicContact NE-OE2 2.72Å; R524-E554 PolarHBondContact NE-OE2 3.02Å; R524-E554 IonicContact NH2-OE1 3.83Å; R524-E554 PolarHBondContact NH2-OE1 3.06Å; R524-E554 IonicContact NH2-OE2 2.68Å; R524-E554 PolarHBondContact NH2-OE2 3.31Å; R524-E554 WeakPolarHBondContact O-CA 3.45Å; R524-E554 WeakPolarHBondContact O-CB 3.46Å; R524-E554 PolarHBondContact O-N 2.9Å
525	S	85.1	Confident	91.5	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.063	13%	0.134	C	C	.	.	S	Bend	trans	-146	177	-176.7	66	0	0	0	0	111.8	I523 I527 D528	I523-S525 WeakPolarHBondContact CD1-O 3.46Å; S525-I527 VanDerWaalsContact C-N 3.28Å; S525-I527 PolarHBondContact O-N 2.98Å; S525-I527 WeakPolarHBondContact OG-CG1 3.4Å; S525-D528 PolarHBondContact N-OD2 3.21Å; S525-D528 WeakPolarHBondContact O-CB 3.28Å; S525-D528 PolarHBondContact O-N 2.97Å; S525-D528 VanDerWaalsContact O-N 3.08Å; S525-D528 PolarHBondContact OG-OD2 3.29Å
526	Q	84	Confident	91.7	Very high	43 Å²	43	28.7 Å²	28.7	20%	0.201	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-60.1	-35	-179.1	-169.7	179.6	9.9	0	0	113.2	D528 Q529 L552	Q526-D528 PolarHBondContact O-N 2.81Å; Q526-Q529 VanDerWaalsContact O-CB 3.3Å; Q526-Q529 WeakPolarHBondContact O-CB 3.17Å; Q526-Q529 VanDerWaalsContact O-CG 3.25Å; Q526-Q529 WeakPolarHBondContact O-CG 3.44Å; Q526-Q529 PolarHBondContact O-N 2.79Å; Q526-Q529 VanDerWaalsContact O-N 3.11Å; Q526-L552 HydrophobicContact CB-CD2 4.5Å
527	I	83.2	Confident	91.8	Very high	96 Å²	96	29.4 Å²	29.4	49%	0.492	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-67.5	-14.9	177.7	56.7	162.2	0	0	0	113.9	S525 Q529 I558	S525-I527 VanDerWaalsContact C-N 3.28Å; S525-I527 PolarHBondContact O-N 2.98Å; S525-I527 WeakPolarHBondContact OG-CG1 3.4Å; I527-Q529 VanDerWaalsContact C-N 3.27Å; I527-I558 HydrophobicContact CG2-CD1 3.2Å; I527-I558 HydrophobicContact CG2-CG1 4.33Å
528	D	87.5	Confident	91.7	Very high	14 Å²	14	29.4 Å²	29.4	8%	0.075	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-85.5	-2.5	176.9	-61.6	-80.5	0	0	0	112.7	K435 I523 R524 S525 Q526	K435-D528 VanDerWaalsContact CE-OD1 3.29Å; K435-D528 WeakPolarHBondContact CE-OD1 3.25Å; K435-D528 IonicContact NZ-OD1 3.13Å; K435-D528 PolarHBondContact NZ-OD1 3.37Å; I523-D528 HydrophobicContact CB-CB 4.02Å; I523-D528 HydrophobicContact CG2-CB 4.43Å; R524-D528 WeakPolarHBondContact CB-OD2 3.23Å; S525-D528 PolarHBondContact N-OD2 3.21Å; S525-D528 WeakPolarHBondContact O-CB 3.28Å; S525-D528 PolarHBondContact O-N 2.97Å; S525-D528 VanDerWaalsContact O-N 3.08Å; S525-D528 PolarHBondContact OG-OD2 3.29Å; Q526-D528 PolarHBondContact O-N 2.81Å
529	Q	89.2	Confident	91.5	Very high	25 Å²	25	32.4 Å²	32.4	12%	0.117	17%	0.174	C	C	.	.			trans	-65.2	149.8	174.8	-70.2	172.7	21.4	0	0	111.5	I523 Q526 I527 V532 W569	I523-Q529 HydrophobicContact CD1-CB 4.43Å; I523-Q529 HydrophobicContact CD1-CG 3.35Å; Q526-Q529 VanDerWaalsContact O-CB 3.3Å; Q526-Q529 WeakPolarHBondContact O-CB 3.17Å; Q526-Q529 VanDerWaalsContact O-CG 3.25Å; Q526-Q529 WeakPolarHBondContact O-CG 3.44Å; Q526-Q529 PolarHBondContact O-N 2.79Å; Q526-Q529 VanDerWaalsContact O-N 3.11Å; I527-Q529 VanDerWaalsContact C-N 3.27Å; Q529-V532 HydrophobicContact CB-CG2 3.85Å; Q529-W569 VanDerWaalsContact CD-CH2 3.47Å
530	I	92.1	Very high	91.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.205	C	C	.	.			trans	-144.6	143.9	-177.8	-161.2	53.4	0	0	0	109	L361 S364 Y366 L433 I494 V532	L361-I530 HydrophobicContact CB-CD1 4.39Å; L361-I530 HydrophobicContact CD2-CD1 3.77Å; L361-I530 HydrophobicContact CD2-CG1 4.27Å; L361-I530 HydrophobicContact CG-CD1 4.26Å; S364-I530 WeakPolarHBondContact OG-CD1 3.46Å; Y366-I530 HydrophobicContact CD1-CG1 4.44Å; Y366-I530 HydrophobicContact CD2-CB 4.09Å; Y366-I530 HydrophobicContact CD2-CD1 3.62Å; Y366-I530 HydrophobicContact CD2-CG1 3.79Å; Y366-I530 HydrophobicContact CE2-CB 3.94Å; Y366-I530 HydrophobicContact CE2-CD1 4.34Å; Y366-I530 HydrophobicContact CE2-CG1 4.07Å; Y366-I530 HydrophobicContact CE2-CG2 4.4Å; Y366-I530 HydrophobicContact CG-CD1 3.83Å; Y366-I530 HydrophobicContact CG-CG1 3.98Å; L433-I530 HydrophobicContact CD2-CG1 4.21Å; I494-I530 HydrophobicContact CD1-CG2 4.08Å; I494-I530 HydrophobicContact CG2-CG2 4.09Å; I530-V532 PolarHBondContact O-N 2.6Å
531	L	92.7	Very high	91.1	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	23%	0.228	C	C	.	.			trans	57	33.5	175.9	-64.5	174.7	0	0	0	114.5	L361 L411 L498 S533 Y534 F535	L361-L531 HydrophobicContact CD2-CD2 3.81Å; L361-L531 HydrophobicContact CD2-CG 4.3Å; L411-L531 HydrophobicContact CB-CD2 3.76Å; L411-L531 HydrophobicContact CD1-CD1 4.48Å; L411-L531 HydrophobicContact CD1-CD2 4.38Å; L411-L531 HydrophobicContact CD2-CD1 4.39Å; L498-L531 HydrophobicContact CD1-CD1 3.72Å; L498-L531 HydrophobicContact CD2-CD1 3.67Å; L498-L531 HydrophobicContact CG-CD1 4.36Å; L531-S533 PolarHBondContact O-N 2.93Å; L531-Y534 HydrophobicContact CB-CD1 4.3Å; L531-Y534 WeakPolarHBondContact O-CB 3.4Å; L531-Y534 PolarHBondContact O-N 2.81Å; L531-Y534 VanDerWaalsContact O-N 3.14Å; L531-F535 HydrophobicContact CB-CD2 4.03Å; L531-F535 HydrophobicContact CB-CE2 3.76Å; L531-F535 HydrophobicContact CB-CZ 4.44Å; L531-F535 WeakPolarHBondContact O-CD2 3.15Å; L531-F535 PolarHBondContact O-N 3.5Å
532	V	90	Very high	90.9	Very high	74 Å²	74	45.6 Å²	45.6	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-54	-49.5	-178.5	179.2	0	0	0	0	111.8	Q529 I530 Y534 F535 A536	Q529-V532 HydrophobicContact CB-CG2 3.85Å; I530-V532 PolarHBondContact O-N 2.6Å; V532-Y534 PolarHBondContact O-N 3.27Å; V532-F535 PolarHBondContact O-N 3.47Å; V532-A536 VanDerWaalsContact O-CB 3.3Å; V532-A536 WeakPolarHBondContact O-CB 3.48Å; V532-A536 PolarHBondContact O-N 3.41Å
533	S	89.7	Confident	90.7	Very high	71 Å²	71	48.2 Å²	48.2	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-36.7	179.5	55.7	0	0	0	0	113	L531 S537	L531-S533 PolarHBondContact O-N 2.93Å; S533-S537 VanDerWaalsContact O-CB 3.31Å; S533-S537 WeakPolarHBondContact O-CB 3.49Å; S533-S537 PolarHBondContact O-N 2.93Å; S533-S537 PolarHBondContact O-OG 2.97Å
534	Y	93.1	Very high	90.7	Very high	9 Å²	9	54.5 Å²	54.5	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-49.9	176.3	167.3	-90.4	0	0	0	111	L411 F413 I416 L531 V532 S537 L538	L411-Y534 WeakPolarHBondContact O-CD2 3.24Å; F413-Y534 HydrophobicContact CB-CD2 4.47Å; I416-Y534 HydrophobicContact CD1-CE2 3.81Å; I416-Y534 WeakPolarHBondContact CD1-OH 3.45Å; L531-Y534 HydrophobicContact CB-CD1 4.3Å; L531-Y534 WeakPolarHBondContact O-CB 3.4Å; L531-Y534 PolarHBondContact O-N 2.81Å; L531-Y534 VanDerWaalsContact O-N 3.14Å; V532-Y534 PolarHBondContact O-N 3.27Å; Y534-S537 PolarHBondContact O-N 3.1Å; Y534-L538 HydrophobicContact CE1-CD2 4.46Å; Y534-L538 WeakPolarHBondContact O-CB 3.17Å; Y534-L538 PolarHBondContact O-N 3.15Å
535	F	94.6	Very high	90.9	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-38	179.7	-67	-54.7	0	0	0	112.9	I494 L498 I501 L519 L531 V532 L538 H539 F546 I548	I494-F535 HydrophobicContact CD1-CE2 3.66Å; I494-F535 HydrophobicContact CD1-CZ 3.66Å; I494-F535 HydrophobicContact CG1-CZ 4.35Å; L498-F535 HydrophobicContact CD2-CE1 4.24Å; L498-F535 HydrophobicContact CD2-CZ 3.66Å; I501-F535 HydrophobicContact CD1-CE1 4.04Å; L519-F535 HydrophobicContact CD2-CE1 4.02Å; L519-F535 HydrophobicContact CD2-CZ 4.02Å; L531-F535 HydrophobicContact CB-CD2 4.03Å; L531-F535 HydrophobicContact CB-CE2 3.76Å; L531-F535 HydrophobicContact CB-CZ 4.44Å; L531-F535 WeakPolarHBondContact O-CD2 3.15Å; L531-F535 PolarHBondContact O-N 3.5Å; V532-F535 PolarHBondContact O-N 3.47Å; F535-L538 PolarHBondContact O-N 2.77Å; F535-H539 WeakPolarHBondContact O-CB 3.03Å; F535-H539 PolarHBondContact O-N 3.13Å; F535-F546 HydrophobicContact CB-CE1 4.28Å; F535-F546 HydrophobicContact CD1-CE1 4.05Å; F535-F546 AromaticContact CD1-CZ 3.58Å; F535-F546 HydrophobicContact CD1-CZ 3.58Å; F535-F546 HydrophobicContact CE1-CZ 4.19Å; F535-F546 HydrophobicContact CG-CZ 4.43Å; F535-I548 HydrophobicContact CB-CD1 4.14Å; F535-I548 HydrophobicContact CB-CG2 4.16Å; F535-I548 HydrophobicContact CD1-CD1 4.16Å; F535-I548 HydrophobicContact CD2-CD1 3.62Å; F535-I548 HydrophobicContact CE1-CD1 4.48Å; F535-I548 HydrophobicContact CE2-CD1 3.99Å; F535-I548 HydrophobicContact CG-CD1 3.72Å; F535-I548 HydrophobicContact CZ-CD1 4.4Å
536	A	92.8	Very high	91.3	Very high	47 Å²	47	50.7 Å²	50.7	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-45.2	174	0	0	0	0	0	111.5	V532 L538 H539 N540	V532-A536 VanDerWaalsContact O-CB 3.3Å; V532-A536 WeakPolarHBondContact O-CB 3.48Å; V532-A536 PolarHBondContact O-N 3.41Å; A536-L538 VanDerWaalsContact C-N 3.33Å; A536-L538 PolarHBondContact O-N 3.3Å; A536-H539 PolarHBondContact O-N 2.85Å; A536-N540 WeakPolarHBondContact O-CB 3.15Å; A536-N540 PolarHBondContact O-N 3.05Å; A536-N540 PolarHBondContact O-ND2 2.74Å
537	S	94.5	Very high	91.9	Very high	45 Å²	45	49.5 Å²	49.5	32%	0.315	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-40.4	176.6	-57.6	0	0	0	0	111.8	S533 Y534 N540 H541	S533-S537 VanDerWaalsContact O-CB 3.31Å; S533-S537 WeakPolarHBondContact O-CB 3.49Å; S533-S537 PolarHBondContact O-N 2.93Å; S533-S537 PolarHBondContact O-OG 2.97Å; Y534-S537 PolarHBondContact O-N 3.1Å; S537-N540 PolarHBondContact O-N 3.13Å; S537-H541 WeakPolarHBondContact O-CB 3.24Å; S537-H541 PolarHBondContact O-N 2.84Å
538	L	93.5	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-44.6	177.6	-171	66.7	0	0	0	112	F413 I416 I501 F505 Y534 F535 A536 H541 F542 F546	F413-L538 HydrophobicContact CD2-CB 4.31Å; F413-L538 HydrophobicContact CD2-CD1 4.21Å; F413-L538 HydrophobicContact CE2-CB 4.48Å; F413-L538 HydrophobicContact CE2-CD1 3.93Å; I416-L538 HydrophobicContact CD1-CD1 3.63Å; I501-L538 HydrophobicContact CG2-CD2 3.42Å; I501-L538 VanDerWaalsContact CG2-CD2 3.42Å; F505-L538 HydrophobicContact CB-CD1 4.11Å; F505-L538 HydrophobicContact CD1-CD1 4.13Å; F505-L538 HydrophobicContact CD2-CD1 4.37Å; F505-L538 HydrophobicContact CD2-CD2 4.35Å; F505-L538 HydrophobicContact CG-CD1 3.94Å; Y534-L538 HydrophobicContact CE1-CD2 4.46Å; Y534-L538 WeakPolarHBondContact O-CB 3.17Å; Y534-L538 PolarHBondContact O-N 3.15Å; F535-L538 PolarHBondContact O-N 2.77Å; A536-L538 VanDerWaalsContact C-N 3.33Å; A536-L538 PolarHBondContact O-N 3.3Å; L538-H541 PolarHBondContact O-N 2.94Å; L538-F542 HydrophobicContact CD1-CD2 3.73Å; L538-F542 HydrophobicContact CD1-CE2 3.97Å; L538-F542 PolarHBondContact O-N 2.64Å; L538-F546 HydrophobicContact CB-CD1 3.96Å; L538-F546 HydrophobicContact CB-CE1 4.14Å; L538-F546 HydrophobicContact CD2-CD1 3.74Å; L538-F546 HydrophobicContact CD2-CD2 3.66Å; L538-F546 HydrophobicContact CD2-CE1 3.79Å; L538-F546 HydrophobicContact CD2-CE2 3.71Å; L538-F546 HydrophobicContact CD2-CG 3.68Å; L538-F546 HydrophobicContact CD2-CZ 3.79Å; L538-F546 HydrophobicContact CG-CB 4.26Å; L538-F546 HydrophobicContact CG-CD1 3.71Å; L538-F546 HydrophobicContact CG-CD2 4.29Å; L538-F546 HydrophobicContact CG-CE1 4.14Å; L538-F546 HydrophobicContact CG-CG 3.8Å
539	H	94	Very high	92.8	Very high	71 Å²	71	47.2 Å²	47.2	33%	0.329	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-47.9	174.9	178.3	67	0	0	0	111.4	F535 A536 H541 F542 P543 F546	F535-H539 WeakPolarHBondContact O-CB 3.03Å; F535-H539 PolarHBondContact O-N 3.13Å; A536-H539 PolarHBondContact O-N 2.85Å; H539-H541 VanDerWaalsContact C-N 3.28Å; H539-H541 PolarHBondContact O-N 2.84Å; H539-F542 CarbonylContact O-C 3.44Å; H539-F542 VanDerWaalsContact O-C 3.22Å; H539-F542 PolarHBondContact O-N 2.9Å; H539-P543 WeakPolarHBondContact O-CA 3.47Å; H539-P543 WeakPolarHBondContact O-CD 3.32Å; H539-F546 HydrophobicContact CB-CD1 4.03Å; H539-F546 PolarHBondContact ND1-O 3.13Å
540	N	94	Very high	93	Very high	122 Å²	122	47.1 Å²	47.1	65%	0.652	26%	0.263	S	S	*	.	H	α-helix	trans	-62.7	-34.7	-179.5	-70.1	-17.2	0	0	0	112.8	A536 S537	A536-N540 WeakPolarHBondContact O-CB 3.15Å; A536-N540 PolarHBondContact O-N 3.05Å; A536-N540 PolarHBondContact O-ND2 2.74Å; S537-N540 PolarHBondContact O-N 3.13Å
541	H	92.6	Very high	93	Very high	104 Å²	104	47 Å²	47	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-81	-32.1	178.2	-164.7	93.9	0	0	0	113	F413 S537 L538 H539 P543	F413-H541 HydrophobicContact CE1-CB 4.22Å; F413-H541 HydrophobicContact CE2-CB 3.99Å; F413-H541 HydrophobicContact CZ-CB 3.41Å; F413-H541 VanDerWaalsContact CZ-CB 3.41Å; F413-H541 AromaticContact CZ-CG 3.46Å; F413-H541 VanDerWaalsContact CZ-CG 3.46Å; F413-H541 AromaticContact CZ-ND1 3.78Å; S537-H541 WeakPolarHBondContact O-CB 3.24Å; S537-H541 PolarHBondContact O-N 2.84Å; L538-H541 PolarHBondContact O-N 2.94Å; H539-H541 VanDerWaalsContact C-N 3.28Å; H539-H541 PolarHBondContact O-N 2.84Å; H541-P543 VanDerWaalsContact C-CD 3.41Å
542	F	92.2	Very high	93	Very high	50 Å²	50	46.9 Å²	46.9	22%	0.219	26%	0.261	C	S	.	.	S	Bend	trans	-126.2	58.8	179.3	-56.7	-75.2	0	0	0	112.8	F413 I416 F505 L538 H539 N544 K545 F546	F413-F542 HydrophobicContact CE2-CE2 4.37Å; I416-F542 HydrophobicContact CG2-CE2 4.25Å; F505-F542 HydrophobicContact CB-CE2 4.26Å; F505-F542 HydrophobicContact CD1-CB 4.3Å; F505-F542 HydrophobicContact CD1-CD1 4.3Å; F505-F542 AromaticContact CD1-CD2 3.44Å; F505-F542 HydrophobicContact CD1-CD2 3.44Å; F505-F542 VanDerWaalsContact CD1-CD2 3.44Å; F505-F542 HydrophobicContact CD1-CE1 4.46Å; F505-F542 AromaticContact CD1-CE2 3.63Å; F505-F542 HydrophobicContact CD1-CE2 3.63Å; F505-F542 AromaticContact CD1-CG 3.78Å; F505-F542 HydrophobicContact CD1-CG 3.78Å; F505-F542 HydrophobicContact CD1-CZ 4.14Å; F505-F542 HydrophobicContact CE1-CB 3.85Å; F505-F542 HydrophobicContact CE1-CD1 4.46Å; F505-F542 AromaticContact CE1-CD2 3.86Å; F505-F542 HydrophobicContact CE1-CD2 3.86Å; F505-F542 HydrophobicContact CE1-CE2 4.48Å; F505-F542 AromaticContact CE1-CG 3.83Å; F505-F542 HydrophobicContact CE1-CG 3.83Å; F505-F542 HydrophobicContact CG-CD2 4.4Å; F505-F542 HydrophobicContact CG-CE2 4.36Å; L538-F542 HydrophobicContact CD1-CD2 3.73Å; L538-F542 HydrophobicContact CD1-CE2 3.97Å; L538-F542 PolarHBondContact O-N 2.64Å; H539-F542 CarbonylContact O-C 3.44Å; H539-F542 VanDerWaalsContact O-C 3.22Å; H539-F542 PolarHBondContact O-N 2.9Å; F542-N544 PolarHBondContact O-N 2.72Å; F542-N544 VanDerWaalsContact O-N 3.12Å; F542-K545 HydrophobicContact CB-CB 4.21Å; F542-K545 PolarHBondContact O-N 3.14Å; F542-F546 HydrophobicContact CB-CB 4.5Å; F542-F546 PolarHBondContact O-N 3.31Å
543	P	91.2	Very high	93	Very high	72 Å²	72	45.4 Å²	45.4	47%	0.468	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.9	-168.2	23.7	-34.7	0	0	0	113.5	H539 H541	H539-P543 WeakPolarHBondContact O-CA 3.47Å; H539-P543 WeakPolarHBondContact O-CD 3.32Å; H541-P543 VanDerWaalsContact C-CD 3.41Å
544	N	90.6	Very high	92.6	Very high	140 Å²	140	45 Å²	45	75%	0.749	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.5	178.8	-61.6	-28.9	0	0	0	113.6	F542	F542-N544 PolarHBondContact O-N 2.72Å; F542-N544 VanDerWaalsContact O-N 3.12Å
545	K	92.1	Very high	91.5	Very high	71 Å²	71	48.9 Å²	48.9	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-25.6	-175.4	-62.4	-171.4	175.2	-175.6	0	113.9	F505 K516 L517 F542	F505-K545 HydrophobicContact CE1-CB 3.99Å; F505-K545 HydrophobicContact CZ-CB 4.28Å; K516-K545 CarbonylContact C-O 3.58Å; K516-K545 WeakPolarHBondContact CA-O 3.34Å; L517-K545 PolarHBondContact N-O 2.88Å; F542-K545 HydrophobicContact CB-CB 4.21Å; F542-K545 PolarHBondContact O-N 3.14Å
546	F	94.8	Very high	90	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.2	-178.1	-177.7	-100.5	0	0	0	111.1	I501 F505 L517 F535 L538 H539 F542 I548	I501-F546 HydrophobicContact CD1-CE2 4.19Å; I501-F546 HydrophobicContact CG2-CE2 4.43Å; F505-F546 HydrophobicContact CE1-CB 4.07Å; F505-F546 HydrophobicContact CE2-CB 4.31Å; F505-F546 AromaticContact CE2-CD2 3.98Å; F505-F546 HydrophobicContact CE2-CD2 3.98Å; F505-F546 HydrophobicContact CZ-CB 3.62Å; F505-F546 HydrophobicContact CZ-CD2 4.11Å; F505-F546 HydrophobicContact CZ-CG 4.27Å; L517-F546 HydrophobicContact CD2-CD2 3.72Å; L517-F546 HydrophobicContact CD2-CE2 3.66Å; L517-F546 WeakPolarHBondContact O-CA 3.35Å; F535-F546 HydrophobicContact CB-CE1 4.28Å; F535-F546 HydrophobicContact CD1-CE1 4.05Å; F535-F546 AromaticContact CD1-CZ 3.58Å; F535-F546 HydrophobicContact CD1-CZ 3.58Å; F535-F546 HydrophobicContact CE1-CZ 4.19Å; F535-F546 HydrophobicContact CG-CZ 4.43Å; L538-F546 HydrophobicContact CB-CD1 3.96Å; L538-F546 HydrophobicContact CB-CE1 4.14Å; L538-F546 HydrophobicContact CD2-CD1 3.74Å; L538-F546 HydrophobicContact CD2-CD2 3.66Å; L538-F546 HydrophobicContact CD2-CE1 3.79Å; L538-F546 HydrophobicContact CD2-CE2 3.71Å; L538-F546 HydrophobicContact CD2-CG 3.68Å; L538-F546 HydrophobicContact CD2-CZ 3.79Å; L538-F546 HydrophobicContact CG-CB 4.26Å; L538-F546 HydrophobicContact CG-CD1 3.71Å; L538-F546 HydrophobicContact CG-CD2 4.29Å; L538-F546 HydrophobicContact CG-CE1 4.14Å; L538-F546 HydrophobicContact CG-CG 3.8Å; H539-F546 HydrophobicContact CB-CD1 4.03Å; H539-F546 PolarHBondContact ND1-O 3.13Å; F542-F546 HydrophobicContact CB-CB 4.5Å; F542-F546 PolarHBondContact O-N 3.31Å; F546-I548 HydrophobicContact CE1-CB 4.22Å; F546-I548 HydrophobicContact CE1-CG2 4.29Å; F546-I548 HydrophobicContact CZ-CB 4.14Å
547	S	95.2	Very high	88.1	Confident	18 Å²	18	54.6 Å²	54.6	13%	0.126	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.1	170.4	44.1	0	0	0	0	110.1	L517 H518 L519	L517-S547 PolarHBondContact O-N 3.48Å; H518-S547 WeakPolarHBondContact CA-O 3.49Å; H518-S547 PolarHBondContact CE1-OG 3.49Å; H518-S547 PolarHBondContact ND1-OG 2.84Å; L519-S547 PolarHBondContact N-O 3.34Å
548	I	95.2	Very high	86.1	Confident	38 Å²	38	58.5 Å²	58.5	20%	0.195	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.1	175.6	-172.8	171.2	0	0	0	109.4	L519 F535 F546 H550	L519-I548 HydrophobicContact CB-CB 4.48Å; L519-I548 HydrophobicContact CB-CG1 4.18Å; L519-I548 HydrophobicContact CD2-CD1 3.68Å; L519-I548 HydrophobicContact CD2-CG1 4.12Å; L519-I548 HydrophobicContact CG-CD1 4.14Å; L519-I548 HydrophobicContact CG-CG1 4.04Å; L519-I548 CarbonylContact O-C 3.53Å; L519-I548 VanDerWaalsContact O-CA 3.24Å; L519-I548 WeakPolarHBondContact O-CA 3.29Å; F535-I548 HydrophobicContact CB-CD1 4.14Å; F535-I548 HydrophobicContact CB-CG2 4.16Å; F535-I548 HydrophobicContact CD1-CD1 4.16Å; F535-I548 HydrophobicContact CD2-CD1 3.62Å; F535-I548 HydrophobicContact CE1-CD1 4.48Å; F535-I548 HydrophobicContact CE2-CD1 3.99Å; F535-I548 HydrophobicContact CG-CD1 3.72Å; F535-I548 HydrophobicContact CZ-CD1 4.4Å; F546-I548 HydrophobicContact CE1-CB 4.22Å; F546-I548 HydrophobicContact CE1-CG2 4.29Å; F546-I548 HydrophobicContact CZ-CB 4.14Å; I548-H550 VanDerWaalsContact CD1-CE1 3.49Å; I548-H550 WeakPolarHBondContact CD1-CE1 3.39Å
549	T	94.4	Very high	84.1	Confident	25 Å²	25	60.7 Å²	60.7	15%	0.153	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	169.4	-50.3	0	0	0	0	108.5	H518 L519 I520 H521 L570 C582	H518-T549 PolarHBondContact CE1-OG1 2.93Å; H518-T549 PolarHBondContact NE2-OG1 2.92Å; L519-T549 PolarHBondContact O-N 2.82Å; I520-T549 CarbonylContact C-O 3.54Å; I520-T549 WeakPolarHBondContact CA-O 3.3Å; H521-T549 PolarHBondContact N-O 2.98Å; T549-L570 HydrophobicContact CG2-CD1 3.91Å; T549-L570 HydrophobicContact CG2-CG 4.38Å; T549-C582 HydrophobicContact CG2-CB 4.34Å
550	H	93.3	Very high	81.9	Confident	23 Å²	23	65 Å²	65	11%	0.106	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.2	174.3	-67	-71.2	0	0	0	109.5	H521 I548 L552 W569	H521-H550 AromaticContact ND1-CE1 3.91Å; H521-H550 AromaticContact ND1-ND1 3.71Å; H521-H550 WeakPolarHBondContact O-CA 3.33Å; I548-H550 VanDerWaalsContact CD1-CE1 3.49Å; I548-H550 WeakPolarHBondContact CD1-CE1 3.39Å; H550-L552 HydrophobicContact CB-CD1 4.35Å; H550-W569 HydrophobicContact CB-CE3 3.63Å; H550-W569 HydrophobicContact CB-CH2 4.48Å; H550-W569 HydrophobicContact CB-CZ3 3.28Å; H550-W569 AromaticContact CD2-CZ3 3.73Å; H550-W569 AromaticContact CG-CZ3 3.72Å
551	V	93.6	Very high	79.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.5	179	178.4	0	0	0	0	108.3	I520 H521 F522 I523 L570 G572 L578	I520-V551 HydrophobicContact CG2-CG2 3.7Å; H521-V551 PolarHBondContact O-N 2.8Å; F522-V551 CarbonylContact C-O 3.22Å; F522-V551 WeakPolarHBondContact CA-O 3.48Å; F522-V551 HydrophobicContact CD1-CB 3.61Å; F522-V551 HydrophobicContact CD1-CG1 3.62Å; F522-V551 HydrophobicContact CD1-CG2 4.11Å; F522-V551 HydrophobicContact CE1-CB 3.9Å; F522-V551 HydrophobicContact CE1-CG1 3.82Å; F522-V551 HydrophobicContact CE1-CG2 3.91Å; F522-V551 HydrophobicContact CG-CB 4.23Å; F522-V551 HydrophobicContact CZ-CG2 4.38Å; I523-V551 PolarHBondContact N-O 2.86Å; V551-L570 CarbonylContact C-O 3.57Å; V551-L570 WeakPolarHBondContact CA-O 3.35Å; V551-L570 HydrophobicContact CG2-CB 4.22Å; V551-G572 WeakPolarHBondContact CG1-O 3.23Å; V551-L578 HydrophobicContact CG1-CD2 3.53Å; V551-L578 HydrophobicContact CG1-CG 4.35Å; V551-L578 HydrophobicContact CG2-CD2 4.47Å
552	L	91.9	Very high	77.2	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.7	-177.3	-78.6	66.7	0	0	0	110.5	I523 Q526 H550 W569 L570 Y571 G572	I523-L552 HydrophobicContact CD1-CD1 4.03Å; I523-L552 HydrophobicContact CD1-CG 4.38Å; I523-L552 HydrophobicContact CG1-CD1 3.96Å; I523-L552 HydrophobicContact CG1-CG 4.1Å; I523-L552 WeakPolarHBondContact O-CA 3.37Å; Q526-L552 HydrophobicContact CB-CD2 4.5Å; H550-L552 HydrophobicContact CB-CD1 4.35Å; L552-W569 HydrophobicContact CD1-CD2 4.06Å; L552-W569 HydrophobicContact CD1-CE3 3.4Å; L552-W569 VanDerWaalsContact CD1-CE3 3.4Å; L552-W569 HydrophobicContact CD1-CZ3 4.04Å; L552-L570 PolarHBondContact N-O 3.49Å; L552-Y571 HydrophobicContact CB-CD1 3.91Å; L552-Y571 HydrophobicContact CB-CE1 4.11Å; L552-Y571 HydrophobicContact CD2-CE1 4.41Å; L552-Y571 CarbonylContact O-C 3.54Å; L552-Y571 VanDerWaalsContact O-CA 3.22Å; L552-Y571 WeakPolarHBondContact O-CA 3.39Å; L552-G572 PolarHBondContact O-N 2.86Å
553	S	88.8	Confident	75	Confident	44 Å²	44	72.2 Å²	72.2	31%	0.308	40%	0.4	S	S	.	.	S	Bend	trans	-79.6	-26.5	173.1	66.2	0	0	0	0	113.3	I523 R524	I523-S553 PolarHBondContact O-N 2.76Å; R524-S553 WeakPolarHBondContact CA-OG 3.05Å; R524-S553 PolarHBondContact O-N 2.84Å
554	E	83	Confident	72.8	Confident	62 Å²	62	70.7 Å²	70.7	29%	0.29	39%	0.387	S	S	.	.	S	Bend	trans	-121.3	120.1	177	-66.9	178.7	-179.5	0	0	109.5	R524 L556	R524-E554 HydrophobicContact CG-CB 4.44Å; R524-E554 HydrophobicContact CG-CG 4.16Å; R524-E554 IonicContact CZ-OE1 3.41Å; R524-E554 IonicContact CZ-OE2 3.12Å; R524-E554 IonicContact NE-OE1 3.7Å; R524-E554 PolarHBondContact NE-OE1 3.46Å; R524-E554 IonicContact NE-OE2 2.72Å; R524-E554 PolarHBondContact NE-OE2 3.02Å; R524-E554 IonicContact NH2-OE1 3.83Å; R524-E554 PolarHBondContact NH2-OE1 3.06Å; R524-E554 IonicContact NH2-OE2 2.68Å; R524-E554 PolarHBondContact NH2-OE2 3.31Å; R524-E554 WeakPolarHBondContact O-CA 3.45Å; R524-E554 WeakPolarHBondContact O-CB 3.46Å; R524-E554 PolarHBondContact O-N 2.9Å; E554-L556 PolarHBondContact O-N 3.27Å
555	P	68.8	Low	70.6	Confident	91 Å²	91	71 Å²	71	59%	0.591	39%	0.389	S	S	*	.			trans	-77.8	31.1	-175.7	32.3	-36.1	0	0	0	114.1	C557 Y571	P555-C557 PolarHBondContact O-N 3.18Å; P555-Y571 HydrophobicContact CB-CD1 3.78Å; P555-Y571 HydrophobicContact CB-CE1 3.58Å
556	L	62.6	Low	68.5	Low	113 Å²	113	74.8 Å²	74.8	59%	0.592	41%	0.413	S	S	*	.			trans	-73.3	90.4	177	-67	169.5	0	0	0	109.6	E554	E554-L556 PolarHBondContact O-N 3.27Å
557	C	54.3	Low	66.6	Low	55 Å²	55	78.4 Å²	78.4	37%	0.372	43%	0.432	S	S	.	.			trans	-76.9	135.1	165.6	-61.2	0	0	0	0	109	P555	P555-C557 PolarHBondContact O-N 3.18Å
558	I	52.4	Low	65.3	Low	128 Å²	128	84.7 Å²	84.7	66%	0.656	46%	0.464	S	S	*	.			trans	-91.9	-8.5	179.3	-66.8	-171.5	0	0	0	112.5	I527	I527-I558 HydrophobicContact CG2-CD1 3.2Å; I527-I558 HydrophobicContact CG2-CG1 4.33Å
559	S	51.8	Low	64.6	Low	45 Å²	45	84.6 Å²	84.6	32%	0.315	46%	0.462	S	S	.	.			trans	-99.6	114.8	177.1	27.6	0	0	0	0	112.1	D561 D564	S559-D561 PolarHBondContact O-N 2.8Å; S559-D564 PolarHBondContact OG-OD2 3.37Å; S559-D564 VanDerWaalsContact OG-OD2 3.06Å
560	D	48.1	Very low	64.3	Low	162 Å²	162	85.2 Å²	85.2	87%	0.866	46%	0.464	S	S	*	.			trans	-68.7	-3.7	155.1	-80.4	-31.1	0	0	0	111.7	N562	D560-N562 PolarHBondContact O-N 2.87Å
561	D	45.6	Very low	64.2	Low	127 Å²	127	89.5 Å²	89.5	68%	0.679	48%	0.48	S	S	*	.	S	Bend	trans	-74.5	108.1	174.8	-68.1	-34	0	0	0	109.4	S559 D563	S559-D561 PolarHBondContact O-N 2.8Å; D561-D563 PolarHBondContact O-N 3.11Å
562	N	42.2	Very low	64	Low	152 Å²	152	90.8 Å²	90.8	81%	0.813	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	17	178.8	-73.7	-60.1	0	0	0	116	D560	D560-N562 PolarHBondContact O-N 2.87Å
563	D	44.8	Very low	63.9	Low	149 Å²	149	97.4 Å²	97.4	80%	0.797	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.9	176.7	-108.5	-8.6	0	0	0	113.4	D561 N565	D561-D563 PolarHBondContact O-N 3.11Å; D563-N565 PolarHBondContact O-N 3.12Å; D563-N565 VanDerWaalsContact O-N 3.14Å
564	D	45.5	Very low	64.2	Low	39 Å²	39	96.2 Å²	96.2	21%	0.209	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-71.9	-1.2	178.5	-111.5	-25.8	0	0	0	114.3	S559 N566 N567	S559-D564 PolarHBondContact OG-OD2 3.37Å; S559-D564 VanDerWaalsContact OG-OD2 3.06Å; D564-N566 PolarHBondContact O-N 2.84Å; D564-N567 PolarHBondContact O-N 3.22Å; D564-N567 VanDerWaalsContact O-N 3.07Å; D564-N567 PolarHBondContact OD1-ND2 3.07Å
565	N	43.7	Very low	64.8	Low	148 Å²	148	96.3 Å²	96.3	79%	0.791	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-58.5	-13.5	175.2	-81.8	-33.8	0	0	0	113.9	D563	D563-N565 PolarHBondContact O-N 3.12Å; D563-N565 VanDerWaalsContact O-N 3.14Å
566	N	48.1	Very low	66.1	Low	149 Å²	149	93.9 Å²	93.9	80%	0.797	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-94.1	-12.1	177.6	-91.6	-17.8	0	0	0	115	D564 N568	D564-N566 PolarHBondContact O-N 2.84Å; N566-N568 PolarHBondContact O-N 3.08Å
567	N	56.4	Low	67.6	Low	77 Å²	77	95 Å²	95	41%	0.412	50%	0.503	S	S	.	.			trans	-92	99.2	176.8	-70.1	-34.9	0	0	0	108.9	D564 W569	D564-N567 PolarHBondContact O-N 3.22Å; D564-N567 VanDerWaalsContact O-N 3.07Å; D564-N567 PolarHBondContact OD1-ND2 3.07Å; N567-W569 HydrophobicContact CB-CD2 4.24Å; N567-W569 VanDerWaalsContact CB-CE2 3.46Å; N567-W569 HydrophobicContact CB-CG 4.3Å; N567-W569 HydrophobicContact CB-CZ2 3.75Å; N567-W569 PolarHBondContact O-N 2.88Å
568	N	66.5	Low	69.5	Low	151 Å²	151	93 Å²	93	81%	0.807	49%	0.488	S	S	*	.			trans	-67.6	65.3	171.7	-76.6	-17.7	0	0	0	110.8	N566	N566-N568 PolarHBondContact O-N 3.08Å
569	W	80.3	Confident	71.6	Confident	36 Å²	36	86.9 Å²	86.9	14%	0.136	46%	0.457	C	S	.	.			trans	-66.7	140.2	174.1	-59.2	111	0	0	0	109.7	Q529 H550 L552 N567 Y571	Q529-W569 VanDerWaalsContact CD-CH2 3.47Å; H550-W569 HydrophobicContact CB-CE3 3.63Å; H550-W569 HydrophobicContact CB-CH2 4.48Å; H550-W569 HydrophobicContact CB-CZ3 3.28Å; H550-W569 AromaticContact CD2-CZ3 3.73Å; H550-W569 AromaticContact CG-CZ3 3.72Å; L552-W569 HydrophobicContact CD1-CD2 4.06Å; L552-W569 HydrophobicContact CD1-CE3 3.4Å; L552-W569 VanDerWaalsContact CD1-CE3 3.4Å; L552-W569 HydrophobicContact CD1-CZ3 4.04Å; N567-W569 HydrophobicContact CB-CD2 4.24Å; N567-W569 VanDerWaalsContact CB-CE2 3.46Å; N567-W569 HydrophobicContact CB-CG 4.3Å; N567-W569 HydrophobicContact CB-CZ2 3.75Å; N567-W569 PolarHBondContact O-N 2.88Å; W569-Y571 HydrophobicContact CB-CE1 4.35Å; W569-Y571 HydrophobicContact CB-CE2 4.05Å
570	L	88.9	Confident	73.6	Confident	38 Å²	38	88.7 Å²	88.7	20%	0.199	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	150.4	166.7	-61.3	179.4	0	0	0	109	T549 V551 L552 L578 Q581 C582	T549-L570 HydrophobicContact CG2-CD1 3.91Å; T549-L570 HydrophobicContact CG2-CG 4.38Å; V551-L570 CarbonylContact C-O 3.57Å; V551-L570 WeakPolarHBondContact CA-O 3.35Å; V551-L570 HydrophobicContact CG2-CB 4.22Å; L552-L570 PolarHBondContact N-O 3.49Å; L570-L578 HydrophobicContact CB-CD1 3.91Å; L570-L578 HydrophobicContact CD1-CD1 4.17Å; L570-Q581 HydrophobicContact CD1-CB 4.27Å; L570-C582 WeakPolarHBondContact CD1-SG 3.38Å
571	Y	90.2	Very high	75.8	Confident	112 Å²	112	86.3 Å²	86.3	44%	0.439	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.6	-174.9	-59.1	-82.7	0	0	0	111.8	L552 P555 W569	L552-Y571 HydrophobicContact CB-CD1 3.91Å; L552-Y571 HydrophobicContact CB-CE1 4.11Å; L552-Y571 HydrophobicContact CD2-CE1 4.41Å; L552-Y571 CarbonylContact O-C 3.54Å; L552-Y571 VanDerWaalsContact O-CA 3.22Å; L552-Y571 WeakPolarHBondContact O-CA 3.39Å; P555-Y571 HydrophobicContact CB-CD1 3.78Å; P555-Y571 HydrophobicContact CB-CE1 3.58Å; W569-Y571 HydrophobicContact CB-CE1 4.35Å; W569-Y571 HydrophobicContact CB-CE2 4.05Å
572	G	90.2	Very high	78.1	Confident	27 Å²	27	80.8 Å²	80.8	28%	0.278	41%	0.412	S	S	.	.	S	Bend	trans	128.6	-165.3	173.1	0	0	0	0	0	114.2	V551 L552	V551-G572 WeakPolarHBondContact CG1-O 3.23Å; L552-G572 PolarHBondContact O-N 2.86Å
573	H	91	Very high	80.5	Confident	141 Å²	141	74 Å²	74	65%	0.653	38%	0.375	S	S	*	.	S	Bend	trans	-101.7	164.9	174.5	-64.3	-69.8	0	0	0	110.3	T575 L578	H573-T575 PolarHBondContact O-N 3Å; H573-L578 WeakPolarHBondContact O-CD2 3.46Å
574	I	93.8	Very high	82.6	Confident	18 Å²	18	70.6 Å²	70.6	9%	0.092	36%	0.357	C	S	.	.			trans	-56	120.5	179	-176.8	168.4	0	0	0	111.9	L488 F522 F605 T608 A609 L612	L488-I574 HydrophobicContact CD1-CD1 4.21Å; F522-I574 HydrophobicContact CD1-CB 4.26Å; F522-I574 HydrophobicContact CE1-CB 3.74Å; F522-I574 HydrophobicContact CE1-CG1 4.29Å; F522-I574 HydrophobicContact CE2-CB 4.38Å; F522-I574 HydrophobicContact CE2-CD1 4.24Å; F522-I574 HydrophobicContact CE2-CG1 4.36Å; F522-I574 HydrophobicContact CZ-CB 3.8Å; F522-I574 HydrophobicContact CZ-CD1 4.23Å; F522-I574 HydrophobicContact CZ-CG1 3.85Å; I574-F605 HydrophobicContact CB-CD2 4.23Å; I574-F605 HydrophobicContact CB-CE2 3.92Å; I574-F605 HydrophobicContact CD1-CD2 4.41Å; I574-F605 HydrophobicContact CD1-CE2 3.77Å; I574-F605 HydrophobicContact CD1-CZ 3.97Å; I574-F605 HydrophobicContact CG1-CE2 4.43Å; I574-F605 HydrophobicContact CG2-CD2 3.73Å; I574-F605 HydrophobicContact CG2-CE2 3.94Å; I574-T608 HydrophobicContact CG2-CG2 3.8Å; I574-A609 HydrophobicContact CD1-CB 3.64Å; I574-L612 HydrophobicContact CD1-CD1 4.05Å; I574-L612 HydrophobicContact CG1-CD1 3.67Å
575	T	95	Very high	84.8	Confident	64 Å²	64	76.1 Å²	76.1	39%	0.393	38%	0.379	S	S	.	.			trans	-141.2	162.7	174.2	65.5	0	0	0	0	109.8	H573 E577 L578 C579	H573-T575 PolarHBondContact O-N 3Å; T575-E577 VanDerWaalsContact C-N 3.34Å; T575-E577 PolarHBondContact O-N 3.08Å; T575-L578 PolarHBondContact O-N 3.03Å; T575-L578 VanDerWaalsContact OG1-CB 3.24Å; T575-L578 WeakPolarHBondContact OG1-CB 3.45Å; T575-L578 PolarHBondContact OG1-N 2.82Å; T575-L578 VanDerWaalsContact OG1-N 3.15Å; T575-C579 WeakPolarHBondContact O-CB 3.15Å; T575-C579 PolarHBondContact O-N 2.94Å; T575-C579 VanDerWaalsContact O-N 3.07Å; T575-C579 PolarHBondContact O-SG 2.83Å
576	D	96.1	Very high	87	Confident	40 Å²	40	72.9 Å²	72.9	21%	0.214	36%	0.359	C	S	.	.	H	α-helix	trans	-56.2	-49.1	173.9	178.1	62.1	0	0	0	111.3	L578 C579 R580 L612 W616	D576-L578 PolarHBondContact O-N 3.28Å; D576-C579 PolarHBondContact O-N 3.07Å; D576-R580 VanDerWaalsContact CG-NE 3.28Å; D576-R580 WeakPolarHBondContact O-CB 3.43Å; D576-R580 VanDerWaalsContact O-CG 3.29Å; D576-R580 WeakPolarHBondContact O-CG 3.44Å; D576-R580 PolarHBondContact O-N 3.19Å; D576-R580 IonicContact OD1-CZ 3.04Å; D576-R580 IonicContact OD1-NE 2.64Å; D576-R580 PolarHBondContact OD1-NE 2.72Å; D576-R580 IonicContact OD1-NH2 2.84Å; D576-R580 PolarHBondContact OD1-NH2 2.94Å; D576-R580 IonicContact OD2-NE 3.29Å; D576-R580 PolarHBondContact OD2-NE 2.86Å; D576-L612 HydrophobicContact CB-CD2 3.77Å; D576-W616 PolarHBondContact OD1-NE1 2.82Å
577	E	95.2	Very high	89.1	Confident	136 Å²	136	65.9 Å²	65.9	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-58.7	-48.4	-179	-174.3	179.1	-178.4	0	0	111.8	T575 R580 Q581	T575-E577 VanDerWaalsContact C-N 3.34Å; T575-E577 PolarHBondContact O-N 3.08Å; E577-R580 PolarHBondContact O-N 3.41Å; E577-Q581 WeakPolarHBondContact O-CG 3.09Å; E577-Q581 PolarHBondContact O-N 2.84Å
578	L	94	Very high	90.9	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-41.5	-177.6	-167.2	60.8	0	0	0	112.1	F522 V551 L570 H573 T575 D576 Q581 C582	F522-L578 HydrophobicContact CE1-CD2 4.2Å; V551-L578 HydrophobicContact CG1-CD2 3.53Å; V551-L578 HydrophobicContact CG1-CG 4.35Å; V551-L578 HydrophobicContact CG2-CD2 4.47Å; L570-L578 HydrophobicContact CB-CD1 3.91Å; L570-L578 HydrophobicContact CD1-CD1 4.17Å; H573-L578 WeakPolarHBondContact O-CD2 3.46Å; T575-L578 PolarHBondContact O-N 3.03Å; T575-L578 VanDerWaalsContact OG1-CB 3.24Å; T575-L578 WeakPolarHBondContact OG1-CB 3.45Å; T575-L578 PolarHBondContact OG1-N 2.82Å; T575-L578 VanDerWaalsContact OG1-N 3.15Å; D576-L578 PolarHBondContact O-N 3.28Å; L578-Q581 PolarHBondContact O-N 2.81Å; L578-C582 PolarHBondContact O-N 2.86Å; L578-C582 PolarHBondContact O-SG 3.07Å
579	C	96.2	Very high	92.2	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-43.1	174.2	-72.8	0	0	0	0	111.6	I520 T575 D576 Q581 C582 F583 W616	I520-C579 HydrophobicContact CD1-CB 4.43Å; T575-C579 WeakPolarHBondContact O-CB 3.15Å; T575-C579 PolarHBondContact O-N 2.94Å; T575-C579 VanDerWaalsContact O-N 3.07Å; T575-C579 PolarHBondContact O-SG 2.83Å; D576-C579 PolarHBondContact O-N 3.07Å; C579-Q581 VanDerWaalsContact C-N 3.3Å; C579-Q581 PolarHBondContact O-N 2.73Å; C579-C582 WeakPolarHBondContact O-CB 3.3Å; C579-C582 PolarHBondContact O-N 2.93Å; C579-F583 HydrophobicContact CB-CE2 3.89Å; C579-F583 HydrophobicContact CB-CZ 4.45Å; C579-F583 WeakPolarHBondContact O-CD2 3.38Å; C579-F583 WeakPolarHBondContact O-CE2 3.39Å; C579-F583 WeakPolarHBondContact O-CG 3.31Å; C579-F583 PolarHBondContact O-N 2.81Å; C579-W616 HydrophobicContact CB-CH2 3.65Å; C579-W616 HydrophobicContact CB-CZ2 3.53Å
580	R	94.7	Very high	92.8	Very high	84 Å²	84	61.9 Å²	61.9	32%	0.317	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-30.6	177.9	-73.4	176.6	-174.7	-77.2	-4.2	113.3	D576 E577 C582 F583 I588	D576-R580 VanDerWaalsContact CG-NE 3.28Å; D576-R580 WeakPolarHBondContact O-CB 3.43Å; D576-R580 VanDerWaalsContact O-CG 3.29Å; D576-R580 WeakPolarHBondContact O-CG 3.44Å; D576-R580 PolarHBondContact O-N 3.19Å; D576-R580 IonicContact OD1-CZ 3.04Å; D576-R580 IonicContact OD1-NE 2.64Å; D576-R580 PolarHBondContact OD1-NE 2.72Å; D576-R580 IonicContact OD1-NH2 2.84Å; D576-R580 PolarHBondContact OD1-NH2 2.94Å; D576-R580 IonicContact OD2-NE 3.29Å; D576-R580 PolarHBondContact OD2-NE 2.86Å; E577-R580 PolarHBondContact O-N 3.41Å; R580-C582 PolarHBondContact O-N 3.06Å; R580-F583 PolarHBondContact O-N 2.73Å; R580-I588 HydrophobicContact CB-CD1 4.38Å
581	Q	93.8	Very high	93	Very high	112 Å²	112	60.5 Å²	60.5	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-26.4	171.9	-69.8	174.9	23.3	0	0	112.7	L570 E577 L578 C579	L570-Q581 HydrophobicContact CD1-CB 4.27Å; E577-Q581 WeakPolarHBondContact O-CG 3.09Å; E577-Q581 PolarHBondContact O-N 2.84Å; L578-Q581 PolarHBondContact O-N 2.81Å; C579-Q581 VanDerWaalsContact C-N 3.3Å; C579-Q581 PolarHBondContact O-N 2.73Å
582	C	93.6	Very high	93.1	Very high	10 Å²	10	61.3 Å²	61.3	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-82.2	-27.9	179.6	-58.1	0	0	0	0	112.8	H518 I520 T549 L570 L578 C579 R580	H518-C582 PolarHBondContact CE1-O 3.47Å; H518-C582 PolarHBondContact NE2-O 2.97Å; I520-C582 HydrophobicContact CD1-CB 3.48Å; I520-C582 VanDerWaalsContact CD1-CB 3.48Å; I520-C582 HydrophobicContact CG1-CB 3.93Å; T549-C582 HydrophobicContact CG2-CB 4.34Å; L570-C582 WeakPolarHBondContact CD1-SG 3.38Å; L578-C582 PolarHBondContact O-N 2.86Å; L578-C582 PolarHBondContact O-SG 3.07Å; C579-C582 WeakPolarHBondContact O-CB 3.3Å; C579-C582 PolarHBondContact O-N 2.93Å; R580-C582 PolarHBondContact O-N 3.06Å
583	F	93	Very high	92.9	Very high	11 Å²	11	62.2 Å²	62.2	5%	0.048	31%	0.305	C	S	.	.	S	Bend	trans	-93.2	139.8	-172.7	-58.9	-43.2	0	0	0	112.5	I486 L488 H518 I520 C579 R580 I587 I588 F591 W616	I486-F583 HydrophobicContact CB-CE1 4.4Å; I486-F583 HydrophobicContact CB-CZ 4.42Å; I486-F583 HydrophobicContact CD1-CD1 4.44Å; I486-F583 HydrophobicContact CD1-CE1 4.01Å; I486-F583 HydrophobicContact CD1-CE2 4.09Å; I486-F583 HydrophobicContact CD1-CZ 3.84Å; I486-F583 HydrophobicContact CG1-CE1 3.98Å; I486-F583 HydrophobicContact CG1-CZ 4.19Å; I486-F583 HydrophobicContact CG2-CE1 3.61Å; I486-F583 HydrophobicContact CG2-CE2 4.46Å; I486-F583 HydrophobicContact CG2-CZ 3.39Å; L488-F583 HydrophobicContact CD2-CZ 4.28Å; H518-F583 HydrophobicContact CB-CD1 4.3Å; H518-F583 HydrophobicContact CB-CE1 4.4Å; I520-F583 HydrophobicContact CD1-CD1 4.33Å; I520-F583 HydrophobicContact CD1-CE1 3.49Å; I520-F583 VanDerWaalsContact CD1-CE1 3.49Å; I520-F583 HydrophobicContact CD1-CE2 4.27Å; I520-F583 HydrophobicContact CD1-CZ 3.44Å; I520-F583 VanDerWaalsContact CD1-CZ 3.44Å; I520-F583 HydrophobicContact CG1-CE1 3.98Å; I520-F583 HydrophobicContact CG1-CZ 4.32Å; C579-F583 HydrophobicContact CB-CE2 3.89Å; C579-F583 HydrophobicContact CB-CZ 4.45Å; C579-F583 WeakPolarHBondContact O-CD2 3.38Å; C579-F583 WeakPolarHBondContact O-CE2 3.39Å; C579-F583 WeakPolarHBondContact O-CG 3.31Å; C579-F583 PolarHBondContact O-N 2.81Å; R580-F583 PolarHBondContact O-N 2.73Å; F583-I587 HydrophobicContact CB-CB 4.3Å; F583-I587 HydrophobicContact CB-CG2 4.26Å; F583-I587 HydrophobicContact CD1-CG2 4.38Å; F583-I587 HydrophobicContact CG-CG2 4.26Å; F583-I588 HydrophobicContact CB-CD1 4.18Å; F583-I588 HydrophobicContact CB-CG1 3.83Å; F583-F591 HydrophobicContact CD2-CE1 4.11Å; F583-F591 AromaticContact CD2-CZ 3.76Å; F583-F591 HydrophobicContact CD2-CZ 3.76Å; F583-F591 HydrophobicContact CE2-CE1 4.33Å; F583-F591 HydrophobicContact CE2-CZ 4.09Å; F583-W616 HydrophobicContact CE2-CH2 4.02Å; F583-W616 HydrophobicContact CE2-CZ2 4.46Å; F583-W616 HydrophobicContact CE2-CZ3 4.31Å
584	D	89.2	Confident	92.9	Very high	77 Å²	77	57.3 Å²	57.3	41%	0.412	28%	0.282	S	S	.	.			trans	-62.1	148.8	166.3	-68.5	-35.1	0	0	0	110.8	K516 E586 I587 I588	K516-D584 WeakPolarHBondContact CE-OD2 2.92Å; K516-D584 IonicContact NZ-OD2 2.54Å; K516-D584 PolarHBondContact NZ-OD2 3.29Å; D584-E586 PolarHBondContact O-N 2.78Å; D584-E586 VanDerWaalsContact O-N 3.11Å; D584-I587 WeakPolarHBondContact O-CB 3.36Å; D584-I587 PolarHBondContact O-N 2.84Å; D584-I588 PolarHBondContact O-N 3.25Å
585	K	91.1	Very high	92.9	Very high	155 Å²	155	56.5 Å²	56.5	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-51.4	-38.4	176.3	-173.5	179.1	177.5	-177.1	0	112.3	I587 I588 D589	K585-I587 VanDerWaalsContact C-N 3.33Å; K585-I587 PolarHBondContact O-N 3.3Å; K585-I588 PolarHBondContact O-N 2.62Å; K585-D589 WeakPolarHBondContact O-CB 3.25Å; K585-D589 PolarHBondContact O-N 3.16Å
586	E	90.8	Very high	92.8	Very high	80 Å²	80	53.8 Å²	53.8	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-41.1	176.3	-179.6	-174.7	-148.2	0	0	113	L482 Y484 K516 D584 N590	L482-E586 WeakPolarHBondContact CD2-OE1 3.42Å; Y484-E586 HydrophobicContact CE1-CG 3.72Å; Y484-E586 WeakPolarHBondContact OH-CG 3.16Å; Y484-E586 PolarHBondContact OH-OE1 3.41Å; K516-E586 IonicContact NZ-OE2 2.86Å; K516-E586 PolarHBondContact NZ-OE2 2.79Å; D584-E586 PolarHBondContact O-N 2.78Å; D584-E586 VanDerWaalsContact O-N 3.11Å; E586-N590 PolarHBondContact O-ND2 3.48Å
587	I	92.1	Very high	92.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-44.3	177.4	-66.3	173.1	0	0	0	109.9	Y484 I486 H518 F583 D584 K585 D589 N590 F591	Y484-I587 HydrophobicContact CD1-CB 4.47Å; Y484-I587 HydrophobicContact CD1-CG1 3.64Å; Y484-I587 HydrophobicContact CE1-CG1 4.2Å; Y484-I587 HydrophobicContact CG-CG1 4.31Å; I486-I587 HydrophobicContact CD1-CG2 3.61Å; I486-I587 HydrophobicContact CG1-CG2 4Å; H518-I587 HydrophobicContact CB-CD1 4.06Å; F583-I587 HydrophobicContact CB-CB 4.3Å; F583-I587 HydrophobicContact CB-CG2 4.26Å; F583-I587 HydrophobicContact CD1-CG2 4.38Å; F583-I587 HydrophobicContact CG-CG2 4.26Å; D584-I587 WeakPolarHBondContact O-CB 3.36Å; D584-I587 PolarHBondContact O-N 2.84Å; K585-I587 VanDerWaalsContact C-N 3.33Å; K585-I587 PolarHBondContact O-N 3.3Å; I587-D589 VanDerWaalsContact C-N 3.35Å; I587-D589 PolarHBondContact O-N 3.48Å; I587-N590 PolarHBondContact O-N 3.03Å; I587-N590 VanDerWaalsContact O-N 3.12Å; I587-F591 HydrophobicContact CG2-CD1 4.4Å; I587-F591 HydrophobicContact CG2-CE1 3.9Å; I587-F591 WeakPolarHBondContact O-CD1 3.23Å; I587-F591 PolarHBondContact O-N 2.73Å
588	I	93	Very high	92.9	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.205	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-44.9	-179.6	-65	168.6	0	0	0	111	R580 F583 D584 K585 N590 F591	R580-I588 HydrophobicContact CB-CD1 4.38Å; F583-I588 HydrophobicContact CB-CD1 4.18Å; F583-I588 HydrophobicContact CB-CG1 3.83Å; D584-I588 PolarHBondContact O-N 3.25Å; K585-I588 PolarHBondContact O-N 2.62Å; I588-N590 PolarHBondContact O-N 2.84Å; I588-N590 VanDerWaalsContact O-N 3.15Å; I588-F591 HydrophobicContact CB-CE2 4.35Å; I588-F591 HydrophobicContact CB-CZ 4.34Å; I588-F591 HydrophobicContact CG1-CE2 4.35Å; I588-F591 HydrophobicContact CG1-CZ 4Å; I588-F591 HydrophobicContact CG2-CE2 4.13Å; I588-F591 WeakPolarHBondContact O-CD2 3.43Å; I588-F591 WeakPolarHBondContact O-CG 3.47Å
589	D	93.8	Very high	93	Very high	108 Å²	108	44.8 Å²	44.8	58%	0.578	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.5	-179.7	-68.6	-14.3	0	0	0	112.4	K585 I587	K585-D589 WeakPolarHBondContact O-CB 3.25Å; K585-D589 PolarHBondContact O-N 3.16Å; I587-D589 VanDerWaalsContact C-N 3.35Å; I587-D589 PolarHBondContact O-N 3.48Å
590	N	93.6	Very high	93	Very high	33 Å²	33	45.5 Å²	45.5	18%	0.176	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	8.1	-174.9	-77	-75.2	0	0	0	115.5	Y484 E586 I587 I588 E592 S593 Q594 T595	Y484-N590 HydrophobicContact CD2-CB 3.6Å; Y484-N590 HydrophobicContact CE2-CB 3.36Å; Y484-N590 VanDerWaalsContact CE2-CG 3.5Å; Y484-N590 PolarHBondContact OH-ND2 3.03Å; E586-N590 PolarHBondContact O-ND2 3.48Å; I587-N590 PolarHBondContact O-N 3.03Å; I587-N590 VanDerWaalsContact O-N 3.12Å; I588-N590 PolarHBondContact O-N 2.84Å; I588-N590 VanDerWaalsContact O-N 3.15Å; N590-E592 VanDerWaalsContact C-N 3.29Å; N590-E592 PolarHBondContact O-N 2.9Å; N590-S593 PolarHBondContact O-N 2.94Å; N590-S593 VanDerWaalsContact O-N 3.11Å; N590-S593 PolarHBondContact OD1-OG 3.31Å; N590-Q594 HydrophobicContact CB-CB 4.42Å; N590-Q594 PolarHBondContact O-N 2.8Å; N590-Q594 VanDerWaalsContact O-N 3.14Å; N590-T595 PolarHBondContact O-N 2.79Å; N590-T595 PolarHBondContact O-OG1 2.99Å; N590-T595 VanDerWaalsContact O-OG1 3.09Å
591	F	93.5	Very high	92.7	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-47.9	-47	178.9	-72.1	-26	0	0	0	113.7	I486 F583 I587 I588 S593 T595 W616 I618	I486-F591 HydrophobicContact CD1-CD1 4.06Å; I486-F591 HydrophobicContact CD1-CE1 3.54Å; F583-F591 HydrophobicContact CD2-CE1 4.11Å; F583-F591 AromaticContact CD2-CZ 3.76Å; F583-F591 HydrophobicContact CD2-CZ 3.76Å; F583-F591 HydrophobicContact CE2-CE1 4.33Å; F583-F591 HydrophobicContact CE2-CZ 4.09Å; I587-F591 HydrophobicContact CG2-CD1 4.4Å; I587-F591 HydrophobicContact CG2-CE1 3.9Å; I587-F591 WeakPolarHBondContact O-CD1 3.23Å; I587-F591 PolarHBondContact O-N 2.73Å; I588-F591 HydrophobicContact CB-CE2 4.35Å; I588-F591 HydrophobicContact CB-CZ 4.34Å; I588-F591 HydrophobicContact CG1-CE2 4.35Å; I588-F591 HydrophobicContact CG1-CZ 4Å; I588-F591 HydrophobicContact CG2-CE2 4.13Å; I588-F591 WeakPolarHBondContact O-CD2 3.43Å; I588-F591 WeakPolarHBondContact O-CG 3.47Å; F591-S593 PolarHBondContact O-N 3.15Å; F591-T595 WeakPolarHBondContact CA-OG1 3.36Å; F591-T595 HydrophobicContact CD1-CG2 4.25Å; F591-W616 HydrophobicContact CB-CB 4.29Å; F591-W616 VanDerWaalsContact CB-O 3.32Å; F591-W616 WeakPolarHBondContact CB-O 3.42Å; F591-W616 HydrophobicContact CD2-CB 3.6Å; F591-W616 HydrophobicContact CD2-CD2 4.45Å; F591-W616 AromaticContact CD2-CG 3.81Å; F591-W616 HydrophobicContact CD2-CG 3.81Å; F591-W616 HydrophobicContact CE2-CB 4.03Å; F591-W616 AromaticContact CE2-CD1 3.89Å; F591-W616 HydrophobicContact CE2-CD2 4Å; F591-W616 AromaticContact CE2-CG 3.69Å; F591-W616 HydrophobicContact CE2-CG 3.69Å; F591-W616 HydrophobicContact CG-CB 4.06Å; F591-W616 HydrophobicContact CZ-CD2 4.19Å; F591-W616 HydrophobicContact CZ-CE3 4.45Å; F591-W616 HydrophobicContact CZ-CG 4.34Å; F591-I618 HydrophobicContact CB-CG1 3.97Å; F591-I618 HydrophobicContact CD1-CD1 4.35Å; F591-I618 HydrophobicContact CG-CG1 4.47Å
592	E	90.9	Very high	92.2	Very high	129 Å²	129	40.5 Å²	40.5	60%	0.603	21%	0.214	S	C	*	.	H	α-helix	trans	-72.7	-31	-176.2	-57.7	-170.2	170.5	0	0	113.2	N590 S617 R622	N590-E592 VanDerWaalsContact C-N 3.29Å; N590-E592 PolarHBondContact O-N 2.9Å; E592-S617 WeakPolarHBondContact OE1-CB 2.93Å; E592-S617 PolarHBondContact OE1-OG 3.3Å; E592-R622 PolarHBondContact O-NH1 2.8Å
593	S	87.5	Confident	91.3	Very high	46 Å²	46	42.2 Å²	42.2	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-104.2	-37.2	-160.5	83.2	0	0	0	0	114.5	N590 F591 R622	N590-S593 PolarHBondContact O-N 2.94Å; N590-S593 VanDerWaalsContact O-N 3.11Å; N590-S593 PolarHBondContact OD1-OG 3.31Å; F591-S593 PolarHBondContact O-N 3.15Å; S593-R622 VanDerWaalsContact O-CZ 3.29Å; S593-R622 PolarHBondContact O-NH1 2.87Å; S593-R622 PolarHBondContact O-NH2 2.88Å; S593-R622 VanDerWaalsContact O-NH2 3.11Å
594	Q	89.2	Confident	90.6	Very high	38 Å²	38	43.6 Å²	43.6	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-138.8	-0.1	-165.9	-73.2	167.2	26.4	0	0	114.1	K481 L482 Y484 N590	K481-Q594 HydrophobicContact CD-CG 4.17Å; K481-Q594 VanDerWaalsContact CE-CG 3.45Å; K481-Q594 HydrophobicContact CG-CG 4.1Å; L482-Q594 VanDerWaalsContact O-CD 3.26Å; L482-Q594 PolarHBondContact O-OE1 2.88Å; Y484-Q594 HydrophobicContact CD2-CB 3.84Å; Y484-Q594 HydrophobicContact CE2-CB 4.11Å; Y484-Q594 PolarHBondContact N-O 2.76Å; Y484-Q594 VanDerWaalsContact N-O 3.09Å; N590-Q594 HydrophobicContact CB-CB 4.42Å; N590-Q594 PolarHBondContact O-N 2.8Å; N590-Q594 VanDerWaalsContact O-N 3.14Å
595	T	93.8	Very high	90.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133	-173.8	-59.6	0	0	0	0	112.3	Y484 I486 N590 F591 I618 R622	Y484-T595 CarbonylContact O-C 3.59Å; Y484-T595 WeakPolarHBondContact O-CA 3.49Å; I486-T595 HydrophobicContact CD1-CG2 3.52Å; I486-T595 HydrophobicContact CG1-CG2 3.95Å; N590-T595 PolarHBondContact O-N 2.79Å; N590-T595 PolarHBondContact O-OG1 2.99Å; N590-T595 VanDerWaalsContact O-OG1 3.09Å; F591-T595 WeakPolarHBondContact CA-OG1 3.36Å; F591-T595 HydrophobicContact CD1-CG2 4.25Å; T595-I618 HydrophobicContact CG2-CD1 3.92Å; T595-R622 WeakPolarHBondContact O-CB 3.37Å; T595-R622 VanDerWaalsContact O-CD 3.28Å; T595-R622 WeakPolarHBondContact O-CD 3.34Å
596	I	94.6	Very high	90.2	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.2	168.2	-69	156.8	0	0	0	107.5	L468 I472 Y484 V485 I486 L598 R622	L468-I596 HydrophobicContact CD1-CB 4.5Å; L468-I596 HydrophobicContact CD1-CG1 4.02Å; L468-I596 HydrophobicContact CD1-CG2 3.82Å; L468-I596 HydrophobicContact CD2-CG2 3.99Å; L468-I596 HydrophobicContact CG-CG2 3.74Å; L468-I596 WeakPolarHBondContact O-CD1 3.45Å; I472-I596 HydrophobicContact CD1-CD1 3.73Å; I472-I596 HydrophobicContact CG1-CD1 4.19Å; Y484-I596 PolarHBondContact O-N 3.02Å; V485-I596 WeakPolarHBondContact CA-O 3.11Å; I486-I596 PolarHBondContact N-O 3.28Å; I596-L598 HydrophobicContact CG2-CD2 4.28Å; I596-L598 HydrophobicContact CG2-CG 4.36Å; I596-R622 WeakPolarHBondContact CA-O 3.43Å
597	C	96.3	Very high	89.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.7	178.6	-169.9	0	0	0	0	111.1	I486 T613 I618 R622 V623 H624	I486-C597 CarbonylContact O-C 3.55Å; I486-C597 WeakPolarHBondContact O-CA 3.39Å; C597-T613 HydrophobicContact CB-CG2 3.92Å; C597-T613 VanDerWaalsContact SG-CG2 3.51Å; C597-I618 HydrophobicContact CB-CD1 4.13Å; C597-R622 PolarHBondContact N-O 3.44Å; C597-V623 HydrophobicContact CB-CG1 4.41Å; C597-V623 HydrophobicContact CB-CG2 4.23Å; C597-V623 CarbonylContact O-C 3.57Å; C597-V623 WeakPolarHBondContact O-CA 3.47Å; C597-H624 PolarHBondContact O-N 3.31Å
598	L	96.9	Very high	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.9	179.3	-62	-178.1	0	0	0	109.1	F464 L468 V485 I486 M487 L488 M497 I500 I596 H624 F626	F464-L598 HydrophobicContact CE2-CD2 4.13Å; L468-L598 HydrophobicContact CD2-CD2 3.67Å; V485-L598 HydrophobicContact CG1-CD1 4.28Å; I486-L598 PolarHBondContact O-N 3.27Å; M487-L598 CarbonylContact C-O 3.55Å; M487-L598 WeakPolarHBondContact CA-O 3.42Å; M487-L598 HydrophobicContact CE-CD1 3.59Å; M487-L598 HydrophobicContact CG-CB 4.07Å; M487-L598 HydrophobicContact CG-CD1 4.1Å; L488-L598 PolarHBondContact N-O 3.44Å; M497-L598 HydrophobicContact CE-CB 4.14Å; M497-L598 HydrophobicContact SD-CB 4.02Å; I500-L598 HydrophobicContact CD1-CD1 3.8Å; I500-L598 HydrophobicContact CG2-CD1 4.26Å; I596-L598 HydrophobicContact CG2-CD2 4.28Å; I596-L598 HydrophobicContact CG2-CG 4.36Å; L598-H624 WeakPolarHBondContact CA-O 3.09Å; L598-H624 HydrophobicContact CD2-CB 3.85Å; L598-F626 HydrophobicContact CB-CE2 4.13Å; L598-F626 HydrophobicContact CD2-CE2 4.3Å; L598-F626 HydrophobicContact CD2-CZ 4.44Å
599	I	96.4	Very high	89.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132	-171.7	-60.1	169.1	0	0	0	109.3	L488 F605 N606 A609 T613 V623 H624 I625 F626	L488-I599 HydrophobicContact CB-CG1 4.33Å; L488-I599 HydrophobicContact CD1-CG1 4.28Å; L488-I599 WeakPolarHBondContact O-CA 3.42Å; I599-F605 HydrophobicContact CG2-CE1 4.32Å; I599-N606 HydrophobicContact CG2-CB 4.33Å; I599-A609 HydrophobicContact CB-CB 4.49Å; I599-A609 HydrophobicContact CD1-CB 3.78Å; I599-A609 HydrophobicContact CG1-CB 4.09Å; I599-A609 HydrophobicContact CG2-CB 3.58Å; I599-T613 HydrophobicContact CD1-CG2 3.94Å; I599-V623 HydrophobicContact CD1-CG1 3.89Å; I599-H624 PolarHBondContact N-O 2.93Å; I599-I625 HydrophobicContact CB-CG1 4.22Å; I599-I625 HydrophobicContact CB-CG2 4.5Å; I599-I625 HydrophobicContact CD1-CG1 4.24Å; I599-I625 HydrophobicContact CG2-CG2 4.36Å; I599-I625 CarbonylContact O-C 3.59Å; I599-I625 WeakPolarHBondContact O-CA 3.45Å; I599-F626 PolarHBondContact O-N 2.81Å
600	C	94.7	Very high	89.7	Confident	16 Å²	16	33.8 Å²	33.8	11%	0.108	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	139.8	166.9	-169.3	0	0	0	0	111.6	L488 A489 G490 G493 P496 M497 F626	L488-C600 PolarHBondContact O-N 3.14Å; A489-C600 CarbonylContact C-O 3.6Å; A489-C600 WeakPolarHBondContact CA-O 3.43Å; G490-C600 PolarHBondContact N-O 3.07Å; G493-C600 VanDerWaalsContact CA-SG 3.6Å; G493-C600 WeakPolarHBondContact O-CB 3.35Å; P496-C600 HydrophobicContact CG-CB 3.68Å; M497-C600 HydrophobicContact CE-CB 3.75Å; C600-F626 HydrophobicContact CB-CB 3.92Å; C600-F626 HydrophobicContact CB-CD2 4.11Å; C600-F626 HydrophobicContact CB-CG 4.47Å
601	G	89.6	Confident	89.7	Confident	19 Å²	19	39.1 Å²	39.1	20%	0.196	22%	0.221	C	C	.	.	S	Bend	trans	167.2	-168.9	-180	0	0	0	0	0	110.5	N606	G601-N606 PolarHBondContact N-OD1 3.36Å; G601-N606 PolarHBondContact O-ND2 2.98Å; G601-N606 PolarHBondContact O-OD1 3.1Å
602	P	82.2	Confident	89.9	Confident	72 Å²	72	39.2 Å²	39.2	47%	0.468	22%	0.222	S	C	.	.	S	Bend	trans	-58.2	158.4	171.8	-23.1	34.1	0	0	0	112.3	G604 F605 N606	P602-G604 PolarHBondContact O-N 2.92Å; P602-F605 WeakPolarHBondContact O-CA 3.17Å; P602-F605 VanDerWaalsContact O-CB 3.31Å; P602-F605 WeakPolarHBondContact O-CB 2.75Å; P602-F605 PolarHBondContact O-N 3.24Å; P602-N606 PolarHBondContact O-N 2.69Å
603	S	75.6	Confident	90.1	Very high	45 Å²	45	33.1 Å²	33.1	32%	0.315	19%	0.193	S	C	.	.	H	α-helix	trans	-50.7	-52.7	-176.6	52.8	0	0	0	0	113.4	F605 N606 D607	S603-F605 PolarHBondContact O-N 2.72Å; S603-N606 PolarHBondContact O-N 2.96Å; S603-N606 VanDerWaalsContact O-N 3.08Å; S603-D607 VanDerWaalsContact O-CG 3.31Å; S603-D607 PolarHBondContact O-N 3.08Å
604	G	76.8	Confident	90.5	Very high	41 Å²	41	33.9 Å²	33.9	42%	0.423	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-32.1	178.5	0	0	0	0	0	113.9	P602 T608	P602-G604 PolarHBondContact O-N 2.92Å; G604-T608 WeakPolarHBondContact O-CB 3.26Å; G604-T608 PolarHBondContact O-N 3.17Å; G604-T608 PolarHBondContact O-OG1 2.74Å
605	F	87.1	Confident	90.8	Very high	25 Å²	25	37.5 Å²	37.5	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-48.7	173.2	175.4	-90.6	0	0	0	110.9	L488 F522 I574 I599 P602 S603 D607 T608 A609	L488-F605 HydrophobicContact CB-CE1 4.38Å; L488-F605 HydrophobicContact CB-CZ 4.12Å; F522-F605 HydrophobicContact CB-CE2 3.99Å; F522-F605 HydrophobicContact CD1-CE2 4.39Å; F522-F605 AromaticContact CD2-CE2 3.4Å; F522-F605 HydrophobicContact CD2-CE2 3.4Å; F522-F605 AromaticContact CD2-CZ 3.59Å; F522-F605 HydrophobicContact CD2-CZ 3.59Å; F522-F605 AromaticContact CE2-CE2 3.9Å; F522-F605 HydrophobicContact CE2-CE2 3.9Å; F522-F605 HydrophobicContact CE2-CZ 4Å; F522-F605 AromaticContact CG-CE2 3.67Å; F522-F605 HydrophobicContact CG-CE2 3.67Å; F522-F605 HydrophobicContact CG-CZ 4.3Å; I574-F605 HydrophobicContact CB-CD2 4.23Å; I574-F605 HydrophobicContact CB-CE2 3.92Å; I574-F605 HydrophobicContact CD1-CD2 4.41Å; I574-F605 HydrophobicContact CD1-CE2 3.77Å; I574-F605 HydrophobicContact CD1-CZ 3.97Å; I574-F605 HydrophobicContact CG1-CE2 4.43Å; I574-F605 HydrophobicContact CG2-CD2 3.73Å; I574-F605 HydrophobicContact CG2-CE2 3.94Å; I599-F605 HydrophobicContact CG2-CE1 4.32Å; P602-F605 WeakPolarHBondContact O-CA 3.17Å; P602-F605 VanDerWaalsContact O-CB 3.31Å; P602-F605 WeakPolarHBondContact O-CB 2.75Å; P602-F605 PolarHBondContact O-N 3.24Å; S603-F605 PolarHBondContact O-N 2.72Å; F605-D607 PolarHBondContact O-N 2.78Å; F605-T608 PolarHBondContact O-N 3.22Å; F605-A609 HydrophobicContact CE1-CB 4.48Å; F605-A609 VanDerWaalsContact O-CB 3.32Å; F605-A609 WeakPolarHBondContact O-CB 3.5Å; F605-A609 PolarHBondContact O-N 3.21Å
606	N	86.3	Confident	91	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-42.9	-179.8	-66.7	-17.9	0	0	0	112.1	I599 G601 P602 S603 T608 A609 F610 I625	I599-N606 HydrophobicContact CG2-CB 4.33Å; G601-N606 PolarHBondContact N-OD1 3.36Å; G601-N606 PolarHBondContact O-ND2 2.98Å; G601-N606 PolarHBondContact O-OD1 3.1Å; P602-N606 PolarHBondContact O-N 2.69Å; S603-N606 PolarHBondContact O-N 2.96Å; S603-N606 VanDerWaalsContact O-N 3.08Å; N606-T608 VanDerWaalsContact C-N 3.33Å; N606-T608 PolarHBondContact O-N 2.65Å; N606-A609 PolarHBondContact O-N 2.71Å; N606-F610 VanDerWaalsContact O-CB 3.28Å; N606-F610 WeakPolarHBondContact O-CB 3.44Å; N606-F610 PolarHBondContact O-N 3.08Å; N606-I625 HydrophobicContact CB-CG2 3.94Å
607	D	85	Confident	91	Very high	93 Å²	93	40.4 Å²	40.4	50%	0.497	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-41.1	179.3	-67.4	-22.9	0	0	0	111.3	S603 F605 K611	S603-D607 VanDerWaalsContact O-CG 3.31Å; S603-D607 PolarHBondContact O-N 3.08Å; F605-D607 PolarHBondContact O-N 2.78Å; D607-K611 VanDerWaalsContact O-CG 3.27Å; D607-K611 WeakPolarHBondContact O-CG 3.31Å; D607-K611 PolarHBondContact O-N 3.18Å
608	T	87.6	Confident	91	Very high	56 Å²	56	40.6 Å²	40.6	34%	0.344	23%	0.232	S	C	.	.	H	α-helix	trans	-68.1	-48.1	177.7	-55.9	0	0	0	0	110.6	I574 G604 F605 N606 F610 K611 L612	I574-T608 HydrophobicContact CG2-CG2 3.8Å; G604-T608 WeakPolarHBondContact O-CB 3.26Å; G604-T608 PolarHBondContact O-N 3.17Å; G604-T608 PolarHBondContact O-OG1 2.74Å; F605-T608 PolarHBondContact O-N 3.22Å; N606-T608 VanDerWaalsContact C-N 3.33Å; N606-T608 PolarHBondContact O-N 2.65Å; T608-F610 VanDerWaalsContact C-N 3.29Å; T608-F610 PolarHBondContact O-N 3.02Å; T608-K611 PolarHBondContact O-N 3.26Å; T608-L612 WeakPolarHBondContact O-CG 3.5Å; T608-L612 PolarHBondContact O-N 2.83Å
609	A	94.4	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-42.6	176.2	0	0	0	0	0	111.8	L488 I574 I599 F605 N606 L612 T613	L488-A609 HydrophobicContact CD1-CB 3.97Å; I574-A609 HydrophobicContact CD1-CB 3.64Å; I599-A609 HydrophobicContact CB-CB 4.49Å; I599-A609 HydrophobicContact CD1-CB 3.78Å; I599-A609 HydrophobicContact CG1-CB 4.09Å; I599-A609 HydrophobicContact CG2-CB 3.58Å; F605-A609 HydrophobicContact CE1-CB 4.48Å; F605-A609 VanDerWaalsContact O-CB 3.32Å; F605-A609 WeakPolarHBondContact O-CB 3.5Å; F605-A609 PolarHBondContact O-N 3.21Å; N606-A609 PolarHBondContact O-N 2.71Å; A609-L612 WeakPolarHBondContact O-CB 3.48Å; A609-L612 PolarHBondContact O-N 3.41Å; A609-T613 PolarHBondContact O-N 2.78Å
610	F	92.4	Very high	90.4	Very high	66 Å²	66	49 Å²	49	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-68	-38.3	178.1	-176.2	-115.2	0	0	0	113	N606 T608 L612 T613 N614 V623 I625	N606-F610 VanDerWaalsContact O-CB 3.28Å; N606-F610 WeakPolarHBondContact O-CB 3.44Å; N606-F610 PolarHBondContact O-N 3.08Å; T608-F610 VanDerWaalsContact C-N 3.29Å; T608-F610 PolarHBondContact O-N 3.02Å; F610-L612 VanDerWaalsContact C-N 3.29Å; F610-L612 PolarHBondContact O-N 2.91Å; F610-T613 WeakPolarHBondContact CA-OG1 3.04Å; F610-T613 PolarHBondContact O-N 2.99Å; F610-T613 PolarHBondContact O-OG1 3Å; F610-N614 PolarHBondContact O-N 3.12Å; F610-N614 VanDerWaalsContact O-N 3.17Å; F610-N614 PolarHBondContact O-ND2 2.87Å; F610-V623 HydrophobicContact CD2-CG1 4.1Å; F610-V623 HydrophobicContact CE2-CG1 4.4Å; F610-I625 HydrophobicContact CB-CD1 3.77Å; F610-I625 HydrophobicContact CD2-CD1 3.7Å; F610-I625 HydrophobicContact CD2-CG1 4.42Å; F610-I625 HydrophobicContact CE2-CD1 4.45Å; F610-I625 HydrophobicContact CG-CD1 3.77Å
611	K	93.2	Very high	89.9	Confident	144 Å²	144	55.2 Å²	55.2	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-60.1	-42	171.6	-74.2	170.2	-175	174.7	0	111.1	D607 T608 N614 Q615	D607-K611 VanDerWaalsContact O-CG 3.27Å; D607-K611 WeakPolarHBondContact O-CG 3.31Å; D607-K611 PolarHBondContact O-N 3.18Å; T608-K611 PolarHBondContact O-N 3.26Å; K611-N614 PolarHBondContact O-N 3.03Å; K611-Q615 PolarHBondContact O-N 2.83Å
612	L	97.3	Very high	89.9	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.5	-67.2	179.2	0	0	0	112.2	I574 D576 T608 A609 F610 N614 Q615 W616	I574-L612 HydrophobicContact CD1-CD1 4.05Å; I574-L612 HydrophobicContact CG1-CD1 3.67Å; D576-L612 HydrophobicContact CB-CD2 3.77Å; T608-L612 WeakPolarHBondContact O-CG 3.5Å; T608-L612 PolarHBondContact O-N 2.83Å; A609-L612 WeakPolarHBondContact O-CB 3.48Å; A609-L612 PolarHBondContact O-N 3.41Å; F610-L612 VanDerWaalsContact C-N 3.29Å; F610-L612 PolarHBondContact O-N 2.91Å; L612-N614 PolarHBondContact O-N 2.9Å; L612-Q615 CarbonylContact O-C 3.59Å; L612-Q615 WeakPolarHBondContact O-CA 3.45Å; L612-Q615 WeakPolarHBondContact O-CB 3.48Å; L612-Q615 PolarHBondContact O-N 3.23Å; L612-W616 HydrophobicContact CB-CD2 4.39Å; L612-W616 HydrophobicContact CB-CH2 3.96Å; L612-W616 HydrophobicContact CB-CZ2 3.78Å; L612-W616 HydrophobicContact CB-CZ3 4.34Å; L612-W616 HydrophobicContact CD1-CH2 4.25Å; L612-W616 HydrophobicContact CD1-CZ2 4.05Å; L612-W616 HydrophobicContact CG-CZ2 4.37Å; L612-W616 WeakPolarHBondContact O-CB 3.44Å; L612-W616 PolarHBondContact O-N 2.8Å
613	T	96.3	Very high	90.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-33.7	176.6	56.8	0	0	0	0	112.9	C597 I599 A609 F610 W616 S617 I618 V623	C597-T613 HydrophobicContact CB-CG2 3.92Å; C597-T613 VanDerWaalsContact SG-CG2 3.51Å; I599-T613 HydrophobicContact CD1-CG2 3.94Å; A609-T613 PolarHBondContact O-N 2.78Å; F610-T613 WeakPolarHBondContact CA-OG1 3.04Å; F610-T613 PolarHBondContact O-N 2.99Å; F610-T613 PolarHBondContact O-OG1 3Å; T613-W616 HydrophobicContact CG2-CE3 4.26Å; T613-W616 HydrophobicContact CG2-CZ3 4.37Å; T613-W616 PolarHBondContact O-N 3.12Å; T613-S617 PolarHBondContact O-N 2.97Å; T613-I618 HydrophobicContact CG2-CD1 4.27Å; T613-I618 PolarHBondContact O-N 3.25Å; T613-V623 HydrophobicContact CG2-CG1 4.16Å; T613-V623 HydrophobicContact CG2-CG2 4.18Å
614	N	94.9	Very high	91	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-69.8	-39.8	173.2	-66.5	-54.8	0	0	0	111.4	F610 K611 L612 W616 S617	F610-N614 PolarHBondContact O-N 3.12Å; F610-N614 VanDerWaalsContact O-N 3.17Å; F610-N614 PolarHBondContact O-ND2 2.87Å; K611-N614 PolarHBondContact O-N 3.03Å; L612-N614 PolarHBondContact O-N 2.9Å; N614-W616 VanDerWaalsContact C-N 3.27Å; N614-W616 PolarHBondContact O-N 3.32Å; N614-S617 PolarHBondContact O-N 3.46Å; N614-S617 VanDerWaalsContact O-N 3.08Å
615	Q	95.9	Very high	91.6	Very high	114 Å²	114	53.8 Å²	53.8	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-33.3	174.2	179.6	-178.1	-20.4	0	0	112.2	K611 L612 S617	K611-Q615 PolarHBondContact O-N 2.83Å; L612-Q615 CarbonylContact O-C 3.59Å; L612-Q615 WeakPolarHBondContact O-CA 3.45Å; L612-Q615 WeakPolarHBondContact O-CB 3.48Å; L612-Q615 PolarHBondContact O-N 3.23Å; Q615-S617 PolarHBondContact O-N 3.08Å
616	W	97.2	Very high	91.5	Very high	7 Å²	7	53 Å²	53	3%	0.027	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1.8	174.4	-60.1	-20	0	0	0	113.3	L488 D576 C579 F583 F591 L612 T613 N614 I618	L488-W616 HydrophobicContact CD1-CH2 4.29Å; L488-W616 HydrophobicContact CD1-CZ3 4.18Å; D576-W616 PolarHBondContact OD1-NE1 2.82Å; C579-W616 HydrophobicContact CB-CH2 3.65Å; C579-W616 HydrophobicContact CB-CZ2 3.53Å; F583-W616 HydrophobicContact CE2-CH2 4.02Å; F583-W616 HydrophobicContact CE2-CZ2 4.46Å; F583-W616 HydrophobicContact CE2-CZ3 4.31Å; F591-W616 HydrophobicContact CB-CB 4.29Å; F591-W616 VanDerWaalsContact CB-O 3.32Å; F591-W616 WeakPolarHBondContact CB-O 3.42Å; F591-W616 HydrophobicContact CD2-CB 3.6Å; F591-W616 HydrophobicContact CD2-CD2 4.45Å; F591-W616 AromaticContact CD2-CG 3.81Å; F591-W616 HydrophobicContact CD2-CG 3.81Å; F591-W616 HydrophobicContact CE2-CB 4.03Å; F591-W616 AromaticContact CE2-CD1 3.89Å; F591-W616 HydrophobicContact CE2-CD2 4Å; F591-W616 AromaticContact CE2-CG 3.69Å; F591-W616 HydrophobicContact CE2-CG 3.69Å; F591-W616 HydrophobicContact CG-CB 4.06Å; F591-W616 HydrophobicContact CZ-CD2 4.19Å; F591-W616 HydrophobicContact CZ-CE3 4.45Å; F591-W616 HydrophobicContact CZ-CG 4.34Å; L612-W616 HydrophobicContact CB-CD2 4.39Å; L612-W616 HydrophobicContact CB-CH2 3.96Å; L612-W616 HydrophobicContact CB-CZ2 3.78Å; L612-W616 HydrophobicContact CB-CZ3 4.34Å; L612-W616 HydrophobicContact CD1-CH2 4.25Å; L612-W616 HydrophobicContact CD1-CZ2 4.05Å; L612-W616 HydrophobicContact CG-CZ2 4.37Å; L612-W616 WeakPolarHBondContact O-CB 3.44Å; L612-W616 PolarHBondContact O-N 2.8Å; T613-W616 HydrophobicContact CG2-CE3 4.26Å; T613-W616 HydrophobicContact CG2-CZ3 4.37Å; T613-W616 PolarHBondContact O-N 3.12Å; N614-W616 VanDerWaalsContact C-N 3.27Å; N614-W616 PolarHBondContact O-N 3.32Å; W616-I618 HydrophobicContact CB-CD1 4.3Å; W616-I618 HydrophobicContact CB-CG1 3.99Å; W616-I618 HydrophobicContact CE3-CD1 3.92Å; W616-I618 PolarHBondContact O-N 3.08Å; W616-I618 VanDerWaalsContact O-N 3.12Å
617	S	95.6	Very high	90.7	Very high	62 Å²	62	57.4 Å²	57.4	43%	0.434	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	27.5	-179.1	-62.6	0	0	0	0	113.6	E592 T613 N614 Q615 P619	E592-S617 WeakPolarHBondContact OE1-CB 2.93Å; E592-S617 PolarHBondContact OE1-OG 3.3Å; T613-S617 PolarHBondContact O-N 2.97Å; N614-S617 PolarHBondContact O-N 3.46Å; N614-S617 VanDerWaalsContact O-N 3.08Å; Q615-S617 PolarHBondContact O-N 3.08Å; S617-P619 WeakPolarHBondContact O-CD 3.38Å
618	I	95.7	Very high	89.4	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	28%	0.282	C	S	.	.			trans	-70.5	124.6	173.3	-57.5	179.8	0	0	0	107.5	F591 T595 C597 T613 W616 K620 R622 V623	F591-I618 HydrophobicContact CB-CG1 3.97Å; F591-I618 HydrophobicContact CD1-CD1 4.35Å; F591-I618 HydrophobicContact CG-CG1 4.47Å; T595-I618 HydrophobicContact CG2-CD1 3.92Å; C597-I618 HydrophobicContact CB-CD1 4.13Å; T613-I618 HydrophobicContact CG2-CD1 4.27Å; T613-I618 PolarHBondContact O-N 3.25Å; W616-I618 HydrophobicContact CB-CD1 4.3Å; W616-I618 HydrophobicContact CB-CG1 3.99Å; W616-I618 HydrophobicContact CE3-CD1 3.92Å; W616-I618 PolarHBondContact O-N 3.08Å; W616-I618 VanDerWaalsContact O-N 3.12Å; I618-K620 PolarHBondContact O-N 3.06Å; I618-R622 HydrophobicContact CG2-CB 4.26Å; I618-V623 HydrophobicContact CB-CG2 4.15Å; I618-V623 HydrophobicContact CG2-CG2 3.66Å
619	P	91.8	Very high	89.5	Confident	33 Å²	33	55.6 Å²	55.6	21%	0.214	28%	0.279	C	S	.	.			trans	-56.1	135.9	179.5	-25.6	34.3	0	0	0	111.8	S617 E621 R622	S617-P619 WeakPolarHBondContact O-CD 3.38Å; P619-E621 VanDerWaalsContact CB-CD 3.46Å; P619-E621 HydrophobicContact CB-CG 4.34Å; P619-E621 WeakPolarHBondContact CB-OE1 3.36Å; P619-E621 WeakPolarHBondContact CB-OE2 3.39Å; P619-E621 PolarHBondContact O-N 3.12Å; P619-E621 VanDerWaalsContact O-N 3.17Å; P619-R622 HydrophobicContact CB-CG 4.48Å; P619-R622 WeakPolarHBondContact O-CA 2.89Å; P619-R622 WeakPolarHBondContact O-CB 3.33Å; P619-R622 PolarHBondContact O-N 2.85Å
620	K	88.2	Confident	89.3	Confident	142 Å²	142	58.5 Å²	58.5	62%	0.617	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-58.5	-34.4	-173.1	-70.8	-176.8	179.1	179	0	112.7	I618 R622 V623	I618-K620 PolarHBondContact O-N 3.06Å; K620-R622 PolarHBondContact O-N 3.49Å; K620-V623 PolarHBondContact O-N 2.92Å; K620-V623 VanDerWaalsContact O-N 3.11Å
621	E	84.2	Confident	89.1	Confident	147 Å²	147	58.1 Å²	58.1	69%	0.687	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-66.3	-15.3	176	66.5	-87.4	-157	0	0	113.8	P619	P619-E621 VanDerWaalsContact CB-CD 3.46Å; P619-E621 HydrophobicContact CB-CG 4.34Å; P619-E621 WeakPolarHBondContact CB-OE1 3.36Å; P619-E621 WeakPolarHBondContact CB-OE2 3.39Å; P619-E621 PolarHBondContact O-N 3.12Å; P619-E621 VanDerWaalsContact O-N 3.17Å
622	R	90.4	Very high	88.8	Confident	76 Å²	76	53 Å²	53	29%	0.287	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-100	1.9	174.2	-62.3	-169.6	-171.1	141.9	-3.5	113.9	L468 E592 S593 T595 I596 C597 I618 P619 K620	L468-R622 HydrophobicContact CD1-CB 4.33Å; E592-R622 PolarHBondContact O-NH1 2.8Å; S593-R622 VanDerWaalsContact O-CZ 3.29Å; S593-R622 PolarHBondContact O-NH1 2.87Å; S593-R622 PolarHBondContact O-NH2 2.88Å; S593-R622 VanDerWaalsContact O-NH2 3.11Å; T595-R622 WeakPolarHBondContact O-CB 3.37Å; T595-R622 VanDerWaalsContact O-CD 3.28Å; T595-R622 WeakPolarHBondContact O-CD 3.34Å; I596-R622 WeakPolarHBondContact CA-O 3.43Å; C597-R622 PolarHBondContact N-O 3.44Å; I618-R622 HydrophobicContact CG2-CB 4.26Å; P619-R622 HydrophobicContact CB-CG 4.48Å; P619-R622 WeakPolarHBondContact O-CA 2.89Å; P619-R622 WeakPolarHBondContact O-CB 3.33Å; P619-R622 PolarHBondContact O-N 2.85Å; K620-R622 PolarHBondContact O-N 3.49Å
623	V	91.6	Very high	88.3	Confident	18 Å²	18	55.6 Å²	55.6	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.6	176.9	-175.3	0	0	0	0	108.9	C597 I599 F610 T613 I618 K620	C597-V623 HydrophobicContact CB-CG1 4.41Å; C597-V623 HydrophobicContact CB-CG2 4.23Å; C597-V623 CarbonylContact O-C 3.57Å; C597-V623 WeakPolarHBondContact O-CA 3.47Å; I599-V623 HydrophobicContact CD1-CG1 3.89Å; F610-V623 HydrophobicContact CD2-CG1 4.1Å; F610-V623 HydrophobicContact CE2-CG1 4.4Å; T613-V623 HydrophobicContact CG2-CG1 4.16Å; T613-V623 HydrophobicContact CG2-CG2 4.18Å; I618-V623 HydrophobicContact CB-CG2 4.15Å; I618-V623 HydrophobicContact CG2-CG2 3.66Å; K620-V623 PolarHBondContact O-N 2.92Å; K620-V623 VanDerWaalsContact O-N 3.11Å
624	H	89.3	Confident	87.8	Confident	20 Å²	20	59.3 Å²	59.3	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.9	171.9	-172.9	80.7	0	0	0	110.9	N463 F464 L468 C597 L598 I599 F626	N463-H624 PolarHBondContact OD1-CE1 3.04Å; F464-H624 AromaticContact CD2-CD2 3.57Å; F464-H624 AromaticContact CD2-CG 3.89Å; F464-H624 AromaticContact CD2-NE2 3.68Å; L468-H624 HydrophobicContact CD2-CB 3.61Å; C597-H624 PolarHBondContact O-N 3.31Å; L598-H624 WeakPolarHBondContact CA-O 3.09Å; L598-H624 HydrophobicContact CD2-CB 3.85Å; I599-H624 PolarHBondContact N-O 2.93Å; H624-F626 AromaticContact CD2-CD1 3.64Å; H624-F626 AromaticContact CD2-CD2 3.96Å; H624-F626 AromaticContact CD2-CE1 3.51Å; H624-F626 AromaticContact CD2-CE2 3.87Å; H624-F626 AromaticContact CD2-CG 3.85Å; H624-F626 AromaticContact CD2-CZ 3.63Å; H624-F626 AromaticContact NE2-CD1 3.52Å; H624-F626 AromaticContact NE2-CE1 3.61Å
625	I	89.2	Confident	87.3	Confident	33 Å²	33	59.1 Å²	59.1	17%	0.169	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.3	174.1	-51.9	173.1	0	0	0	107.5	I599 N606 F610 K627	I599-I625 HydrophobicContact CB-CG1 4.22Å; I599-I625 HydrophobicContact CB-CG2 4.5Å; I599-I625 HydrophobicContact CD1-CG1 4.24Å; I599-I625 HydrophobicContact CG2-CG2 4.36Å; I599-I625 CarbonylContact O-C 3.59Å; I599-I625 WeakPolarHBondContact O-CA 3.45Å; N606-I625 HydrophobicContact CB-CG2 3.94Å; F610-I625 HydrophobicContact CB-CD1 3.77Å; F610-I625 HydrophobicContact CD2-CD1 3.7Å; F610-I625 HydrophobicContact CD2-CG1 4.42Å; F610-I625 HydrophobicContact CE2-CD1 4.45Å; F610-I625 HydrophobicContact CG-CD1 3.77Å; I625-K627 HydrophobicContact CG2-CG 4.25Å; I625-K627 PolarHBondContact O-N 3.42Å
626	F	84.7	Confident	86.6	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.039	29%	0.287	C	S	.	.			trans	-71.7	113	170.8	-60.7	-81.8	0	0	0	108.4	F464 P496 M497 I500 L598 I599 C600 H624	F464-F626 HydrophobicContact CB-CE1 4.19Å; F464-F626 AromaticContact CD2-CE1 3.44Å; F464-F626 HydrophobicContact CD2-CE1 3.44Å; F464-F626 VanDerWaalsContact CD2-CE1 3.44Å; F464-F626 AromaticContact CD2-CZ 3.59Å; F464-F626 HydrophobicContact CD2-CZ 3.59Å; F464-F626 HydrophobicContact CE2-CE1 4.03Å; F464-F626 AromaticContact CE2-CZ 3.69Å; F464-F626 HydrophobicContact CE2-CZ 3.69Å; F464-F626 AromaticContact CG-CE1 3.95Å; F464-F626 HydrophobicContact CG-CE1 3.95Å; F464-F626 HydrophobicContact CG-CZ 4.44Å; P496-F626 HydrophobicContact CB-CB 4.29Å; P496-F626 HydrophobicContact CB-CD1 3.82Å; P496-F626 HydrophobicContact CB-CD2 3.81Å; P496-F626 HydrophobicContact CB-CE1 4.08Å; P496-F626 HydrophobicContact CB-CE2 4.05Å; P496-F626 HydrophobicContact CB-CG 3.69Å; P496-F626 HydrophobicContact CB-CZ 4.19Å; P496-F626 HydrophobicContact CG-CB 4.14Å; P496-F626 HydrophobicContact CG-CD2 3.88Å; P496-F626 HydrophobicContact CG-CE2 4.44Å; P496-F626 HydrophobicContact CG-CG 3.93Å; M497-F626 HydrophobicContact CE-CD2 3.88Å; M497-F626 HydrophobicContact CE-CE2 3.94Å; M497-F626 HydrophobicContact SD-CD2 4.3Å; M497-F626 HydrophobicContact SD-CE2 3.83Å; I500-F626 HydrophobicContact CD1-CE1 4.48Å; I500-F626 HydrophobicContact CD1-CE2 4.3Å; I500-F626 HydrophobicContact CD1-CZ 3.6Å; L598-F626 HydrophobicContact CB-CE2 4.13Å; L598-F626 HydrophobicContact CD2-CE2 4.3Å; L598-F626 HydrophobicContact CD2-CZ 4.44Å; I599-F626 PolarHBondContact O-N 2.81Å; C600-F626 HydrophobicContact CB-CB 3.92Å; C600-F626 HydrophobicContact CB-CD2 4.11Å; C600-F626 HydrophobicContact CB-CG 4.47Å; H624-F626 AromaticContact CD2-CD1 3.64Å; H624-F626 AromaticContact CD2-CD2 3.96Å; H624-F626 AromaticContact CD2-CE1 3.51Å; H624-F626 AromaticContact CD2-CE2 3.87Å; H624-F626 AromaticContact CD2-CG 3.85Å; H624-F626 AromaticContact CD2-CZ 3.63Å; H624-F626 AromaticContact NE2-CD1 3.52Å; H624-F626 AromaticContact NE2-CE1 3.61Å
627	K	70.7	Confident	85.7	Confident	107 Å²	107	58.8 Å²	58.8	47%	0.465	31%	0.309	S	S	.	.			trans	-104.2	114.2	170.7	-42.8	178.1	175.7	-178.6	0	107.1	M108 M136 H387 I625	M108-K627 HydrophobicContact CE-CD 3.99Å; M136-K627 HydrophobicContact CE-CB 3.53Å; M136-K627 HydrophobicContact CE-CD 3.83Å; M136-K627 HydrophobicContact CE-CG 4Å; H387-K627 PolarHBondContact CE1-O 3.16Å; H387-K627 PolarHBondContact ND1-O 2.9Å; I625-K627 HydrophobicContact CG2-CG 4.25Å; I625-K627 PolarHBondContact O-N 3.42Å
628	G	57.3	Low	84.8	Confident	55 Å²	55	58.5 Å²	58.5	57%	0.567	30%	0.297	S	S	*	.			trans	-97.9	0	165.2	0	0	0	0	0	108.3	P403	P403-G628 VanDerWaalsContact CB-C 3.49Å; P403-G628 WeakPolarHBondContact CB-OXT 3.38Å; P403-G628 WeakPolarHBondContact CG-OXT 2.97Å

Retrieved 628 of 628 residues in 680 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).