A0A3Q0KPG0_SCHMA Loading...

Endoplasmic reticulum lectin 1 AlphaSync

Probable lectin that binds selectively to improperly folded lumenal proteins. May function in endoplasmic reticulum quality control and endoplasmic reticulum-associated degradation (ERAD) of both non-glycosylated proteins and glycoproteins.

AlphaFold DB , UniProt , Accession A0A3Q0KPG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 521 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	56.3	Low	62.2	Low	216 Å²	216	131.7 Å²	131.7	100%	1.064	68%	0.678	S	S	*	*				0	-20.9	0	-139.2	163.4	137.6	0	0	114	T4	M1-T4 PolarHBondContact O-OG1 3.47Å
2	Q	56.4	Low	62.8	Low	177 Å²	177	127.3 Å²	127.3	83%	0.827	67%	0.667	S	S	*	*			trans	-80	-31.5	176.9	-77.4	175.5	-32.5	0	0	114.6	T4 C5	Q2-T4 VanDerWaalsContact C-N 3.32Å; Q2-T4 PolarHBondContact O-N 3.02Å; Q2-C5 PolarHBondContact O-N 3.24Å
3	M	56.5	Low	63.4	Low	170 Å²	170	126.1 Å²	126.1	84%	0.837	66%	0.661	S	S	*	*	H	α-helix	trans	-66.4	-29.9	178.4	-94.8	177.7	142	0	0	114	C5 I6	M3-C5 VanDerWaalsContact C-N 3.33Å; M3-C5 PolarHBondContact O-N 2.83Å; M3-I6 PolarHBondContact O-N 3.15Å
4	T	58.1	Low	64	Low	101 Å²	101	127.7 Å²	127.7	62%	0.62	66%	0.66	S	S	*	*	H	α-helix	trans	-69	-27.8	177.7	29.8	0	0	0	0	113.1	M1 Q2 C8	M1-T4 PolarHBondContact O-OG1 3.47Å; Q2-T4 VanDerWaalsContact C-N 3.32Å; Q2-T4 PolarHBondContact O-N 3.02Å; T4-C8 PolarHBondContact O-N 3.11Å
5	C	62.4	Low	64.5	Low	88 Å²	88	123.3 Å²	123.3	60%	0.595	65%	0.645	S	S	*	*	H	α-helix	trans	-71	-37.1	177.1	-93.5	0	0	0	0	113	Q2 M3 C8 Q9	Q2-C5 PolarHBondContact O-N 3.24Å; M3-C5 VanDerWaalsContact C-N 3.33Å; M3-C5 PolarHBondContact O-N 2.83Å; C5-C8 PolarHBondContact O-N 2.61Å; C5-Q9 PolarHBondContact O-N 2.92Å
6	I	63.6	Low	64.9	Low	108 Å²	108	118.7 Å²	118.7	55%	0.554	63%	0.63	S	S	*	*	H	α-helix	trans	-69.8	-39.8	-177.3	-60.8	173	0	0	0	110.4	M3 C8 Q9 I10	M3-I6 PolarHBondContact O-N 3.15Å; I6-C8 VanDerWaalsContact C-N 3.28Å; I6-C8 PolarHBondContact O-N 3.34Å; I6-Q9 PolarHBondContact O-N 2.97Å; I6-I10 HydrophobicContact CG2-CD1 3.93Å; I6-I10 WeakPolarHBondContact O-CG1 3.41Å; I6-I10 PolarHBondContact O-N 2.89Å; I6-I10 VanDerWaalsContact O-N 3.1Å
7	M	61.9	Low	65.2	Low	132 Å²	132	117.9 Å²	117.9	65%	0.65	63%	0.626	S	S	*	*	H	α-helix	trans	-65.1	-29.5	175.1	-83.7	-145.3	144.1	0	0	113.5	K11	M7-K11 WeakPolarHBondContact O-CG 3.19Å; M7-K11 PolarHBondContact O-N 2.84Å; M7-K11 VanDerWaalsContact O-N 3.12Å
8	C	66.5	Low	65.3	Low	88 Å²	88	114.3 Å²	114.3	60%	0.595	62%	0.615	S	S	*	*	H	α-helix	trans	-73.2	-37.9	177.8	-149.1	0	0	0	0	111.9	T4 C5 I6 K11 S12	T4-C8 PolarHBondContact O-N 3.11Å; C5-C8 PolarHBondContact O-N 2.61Å; I6-C8 VanDerWaalsContact C-N 3.28Å; I6-C8 PolarHBondContact O-N 3.34Å; C8-K11 PolarHBondContact O-N 2.96Å; C8-S12 PolarHBondContact O-N 2.89Å
9	Q	63.9	Low	65.3	Low	132 Å²	132	116.1 Å²	116.1	62%	0.617	62%	0.617	S	S	*	*	H	α-helix	trans	-66.1	-41.6	174.9	-71.7	-77	-22.8	0	0	111.9	C5 I6 S12 L13	C5-Q9 PolarHBondContact O-N 2.92Å; I6-Q9 PolarHBondContact O-N 2.97Å; Q9-S12 PolarHBondContact O-N 3.48Å; Q9-L13 PolarHBondContact O-N 2.98Å
10	I	68.9	Low	65.1	Low	86 Å²	86	116.6 Å²	116.6	44%	0.441	62%	0.619	S	S	.	*	H	α-helix	trans	-65.5	-40.6	176.8	-66.5	166.4	0	0	0	111.1	I6 L13 F14	I6-I10 HydrophobicContact CG2-CD1 3.93Å; I6-I10 WeakPolarHBondContact O-CG1 3.41Å; I6-I10 PolarHBondContact O-N 2.89Å; I6-I10 VanDerWaalsContact O-N 3.1Å; I10-L13 PolarHBondContact O-N 2.89Å; I10-F14 HydrophobicContact CG2-CD2 3.88Å; I10-F14 HydrophobicContact CG2-CE2 4.16Å; I10-F14 PolarHBondContact O-N 2.83Å
11	K	70.3	Confident	64.9	Low	151 Å²	151	115 Å²	115	66%	0.657	62%	0.617	S	S	*	*	H	α-helix	trans	-65.1	-38.3	175.3	-76.3	-180	177.8	-175.4	0	112.4	M7 C8 F14 S15	M7-K11 WeakPolarHBondContact O-CG 3.19Å; M7-K11 PolarHBondContact O-N 2.84Å; M7-K11 VanDerWaalsContact O-N 3.12Å; C8-K11 PolarHBondContact O-N 2.96Å; K11-F14 PolarHBondContact O-N 2.72Å; K11-S15 WeakPolarHBondContact O-CB 3.35Å; K11-S15 PolarHBondContact O-N 3.32Å
12	S	68.7	Low	65	Low	78 Å²	78	113.8 Å²	113.8	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-65.9	-40	175.1	-168.9	0	0	0	0	112	C8 Q9 S15 A16	C8-S12 PolarHBondContact O-N 2.89Å; Q9-S12 PolarHBondContact O-N 3.48Å; S12-S15 PolarHBondContact O-N 2.94Å; S12-A16 WeakPolarHBondContact O-CB 3.38Å; S12-A16 PolarHBondContact O-N 3.3Å
13	L	70.4	Confident	64.8	Low	112 Å²	112	109.3 Å²	109.3	59%	0.586	59%	0.594	S	S	*	*	H	α-helix	trans	-65.9	-42.3	174.5	-91.3	153.8	0	0	0	111.9	Q9 I10 A16 L17	Q9-L13 PolarHBondContact O-N 2.98Å; I10-L13 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 3Å; L13-L17 WeakPolarHBondContact O-CB 3.26Å; L13-L17 PolarHBondContact O-N 2.77Å
14	F	72.6	Confident	64.7	Low	149 Å²	149	106 Å²	106	65%	0.654	59%	0.586	S	S	*	*	H	α-helix	trans	-64.7	-38.2	174.2	-99.2	-84.5	0	0	0	112.5	I10 K11 L17 A18	I10-F14 HydrophobicContact CG2-CD2 3.88Å; I10-F14 HydrophobicContact CG2-CE2 4.16Å; I10-F14 PolarHBondContact O-N 2.83Å; K11-F14 PolarHBondContact O-N 2.72Å; F14-L17 PolarHBondContact O-N 2.99Å; F14-A18 WeakPolarHBondContact O-CB 3.24Å; F14-A18 PolarHBondContact O-N 3.21Å
15	S	71.8	Confident	64.4	Low	61 Å²	61	107.3 Å²	107.3	43%	0.427	59%	0.594	S	S	.	*	H	α-helix	trans	-68	-40	175.1	-163.4	0	0	0	0	111.5	K11 S12 A18 F19	K11-S15 WeakPolarHBondContact O-CB 3.35Å; K11-S15 PolarHBondContact O-N 3.32Å; S12-S15 PolarHBondContact O-N 2.94Å; S15-A18 PolarHBondContact O-N 2.94Å; S15-F19 WeakPolarHBondContact O-CD2 3.37Å; S15-F19 PolarHBondContact O-N 3.36Å
16	A	70.5	Confident	63.8	Low	50 Å²	50	110.6 Å²	110.6	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-66.2	-40.2	175	0	0	0	0	0	111.9	S12 L13 F19 L20	S12-A16 WeakPolarHBondContact O-CB 3.38Å; S12-A16 PolarHBondContact O-N 3.3Å; L13-A16 PolarHBondContact O-N 3Å; A16-F19 PolarHBondContact O-N 3.28Å; A16-L20 WeakPolarHBondContact O-CB 3.13Å; A16-L20 PolarHBondContact O-N 2.92Å
17	L	69.4	Low	63	Low	106 Å²	106	108.9 Å²	108.9	56%	0.555	61%	0.606	S	S	*	*	H	α-helix	trans	-66.5	-39.1	174.1	-136.9	94	0	0	0	111.3	L13 F14 L20 C21	L13-L17 WeakPolarHBondContact O-CB 3.26Å; L13-L17 PolarHBondContact O-N 2.77Å; F14-L17 PolarHBondContact O-N 2.99Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-C21 WeakPolarHBondContact O-CB 3.33Å; L17-C21 PolarHBondContact O-N 3.13Å; L17-C21 PolarHBondContact O-SG 3.49Å
18	A	68.3	Low	62.2	Low	53 Å²	53	107.7 Å²	107.7	44%	0.438	61%	0.61	S	S	.	*	H	α-helix	trans	-65.9	-39	176	0	0	0	0	0	111.9	F14 S15 C21 F22	F14-A18 WeakPolarHBondContact O-CB 3.24Å; F14-A18 PolarHBondContact O-N 3.21Å; S15-A18 PolarHBondContact O-N 2.94Å; A18-C21 PolarHBondContact O-N 3.13Å; A18-F22 WeakPolarHBondContact O-CB 3.17Å; A18-F22 PolarHBondContact O-N 3.13Å
19	F	64.2	Low	61.3	Low	147 Å²	147	112.7 Å²	112.7	65%	0.645	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-36.2	172.7	-93.8	-81.7	0	0	0	112.4	S15 A16 F22 S23	S15-F19 WeakPolarHBondContact O-CD2 3.37Å; S15-F19 PolarHBondContact O-N 3.36Å; A16-F19 PolarHBondContact O-N 3.28Å; F19-F22 PolarHBondContact O-N 3.26Å; F19-S23 PolarHBondContact O-N 3.48Å; F19-S23 VanDerWaalsContact O-N 3.1Å; F19-S23 PolarHBondContact O-OG 2.87Å
20	L	60.8	Low	60.5	Low	126 Å²	126	112.1 Å²	112.1	66%	0.66	62%	0.619	S	S	*	*	H	α-helix	trans	-67.3	-37	172.1	-90	155.2	0	0	0	112	A16 L17 S23	A16-L20 WeakPolarHBondContact O-CB 3.13Å; A16-L20 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.28Å; L20-S23 PolarHBondContact O-N 2.81Å
21	C	60.8	Low	59.7	Low	85 Å²	85	113.8 Å²	113.8	57%	0.574	63%	0.634	S	S	*	*	H	α-helix	trans	-72.7	-30.7	173.7	-71.2	0	0	0	0	112.8	L17 A18 S23 C24	L17-C21 WeakPolarHBondContact O-CB 3.33Å; L17-C21 PolarHBondContact O-N 3.13Å; L17-C21 PolarHBondContact O-SG 3.49Å; A18-C21 PolarHBondContact O-N 3.13Å; C21-S23 PolarHBondContact O-N 3.35Å; C21-C24 PolarHBondContact O-N 3.08Å
22	F	58.7	Low	58.8	Low	190 Å²	190	108.7 Å²	108.7	83%	0.833	62%	0.615	S	S	*	*	H	α-helix	trans	-76.2	-12.6	172.4	-116.4	-91.1	0	0	0	113.4	A18 F19 C24	A18-F22 WeakPolarHBondContact O-CB 3.17Å; A18-F22 PolarHBondContact O-N 3.13Å; F19-F22 PolarHBondContact O-N 3.26Å; F22-C24 VanDerWaalsContact C-N 3.26Å
23	S	53.3	Low	58.3	Low	83 Å²	83	112.7 Å²	112.7	58%	0.58	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	8.4	173.1	-52.3	0	0	0	0	112.8	F19 L20 C21 V25	F19-S23 PolarHBondContact O-N 3.48Å; F19-S23 VanDerWaalsContact O-N 3.1Å; F19-S23 PolarHBondContact O-OG 2.87Å; L20-S23 PolarHBondContact O-N 2.81Å; C21-S23 PolarHBondContact O-N 3.35Å; S23-V25 PolarHBondContact O-N 3.14Å
24	C	53.8	Low	57.5	Low	100 Å²	100	114 Å²	114	68%	0.676	64%	0.638	S	S	*	*			trans	-64.7	90	163.1	-98.7	0	0	0	0	108.5	C21 F22 I26	C21-C24 PolarHBondContact O-N 3.08Å; F22-C24 VanDerWaalsContact C-N 3.26Å; C24-I26 PolarHBondContact O-N 2.83Å
25	V	52.7	Low	57.1	Low	129 Å²	129	109.3 Å²	109.3	78%	0.782	62%	0.619	S	S	*	*			trans	-47.5	110.4	164.4	177.3	0	0	0	0	107	S23 A27	S23-V25 PolarHBondContact O-N 3.14Å; V25-A27 PolarHBondContact O-N 2.79Å
26	I	50	Low	56.9	Low	156 Å²	156	110 Å²	110	80%	0.8	62%	0.617	S	S	*	*			trans	-70.5	81.1	170.5	-54.8	170.8	0	0	0	105.5	C24 S28	C24-I26 PolarHBondContact O-N 2.83Å; I26-S28 VanDerWaalsContact C-N 3.27Å; I26-S28 PolarHBondContact O-N 2.77Å; I26-S28 VanDerWaalsContact O-N 3.16Å
27	A	45.3	Very low	57.2	Low	72 Å²	72	111.4 Å²	111.4	60%	0.595	61%	0.614	S	S	*	*			trans	-79.7	86.3	164	0	0	0	0	0	106.6	V25 Y29	V25-A27 PolarHBondContact O-N 2.79Å; A27-Y29 VanDerWaalsContact C-N 3.33Å; A27-Y29 PolarHBondContact O-N 2.88Å
28	S	45.7	Very low	57.6	Low	107 Å²	107	110.3 Å²	110.3	75%	0.748	61%	0.609	S	S	*	*			trans	-72.8	91.3	167.5	54	0	0	0	0	108.1	I26 N30	I26-S28 VanDerWaalsContact C-N 3.27Å; I26-S28 PolarHBondContact O-N 2.77Å; I26-S28 VanDerWaalsContact O-N 3.16Å; S28-N30 PolarHBondContact O-N 2.79Å
29	Y	48	Very low	58.5	Low	193 Å²	193	112.5 Å²	112.5	76%	0.757	61%	0.609	S	S	*	*			trans	-80.2	112.1	164	54.7	-90.8	0	0	0	107.6	A27 V31	A27-Y29 VanDerWaalsContact C-N 3.33Å; A27-Y29 PolarHBondContact O-N 2.88Å; Y29-V31 HydrophobicContact CD2-CB 4.36Å; Y29-V31 HydrophobicContact CD2-CG2 3.59Å; Y29-V31 HydrophobicContact CE2-CG2 4.36Å; Y29-V31 HydrophobicContact CG-CG2 4.44Å; Y29-V31 PolarHBondContact O-N 3.24Å
30	N	46.4	Very low	59.5	Low	120 Å²	120	110.8 Å²	110.8	64%	0.642	60%	0.601	S	S	*	*			trans	-84.9	87.7	169.9	-156.9	11.1	0	0	0	107	S28 T32	S28-N30 PolarHBondContact O-N 2.79Å; N30-T32 PolarHBondContact O-N 3.25Å; N30-T32 WeakPolarHBondContact OD1-CG2 3.27Å
31	V	52.4	Low	60.8	Low	122 Å²	122	107.4 Å²	107.4	74%	0.739	58%	0.579	S	S	*	*			trans	-84.9	92.4	173	174	0	0	0	0	106.5	Y29	Y29-V31 HydrophobicContact CD2-CB 4.36Å; Y29-V31 HydrophobicContact CD2-CG2 3.59Å; Y29-V31 HydrophobicContact CE2-CG2 4.36Å; Y29-V31 HydrophobicContact CG-CG2 4.44Å; Y29-V31 PolarHBondContact O-N 3.24Å
32	T	51.7	Low	61.9	Low	44 Å²	44	106.9 Å²	106.9	27%	0.27	57%	0.571	S	S	.	*			trans	-114.3	134.9	171.5	52.4	0	0	0	0	108.1	N30 D34 I35	N30-T32 PolarHBondContact O-N 3.25Å; N30-T32 WeakPolarHBondContact OD1-CG2 3.27Å; T32-D34 PolarHBondContact O-N 3.39Å; T32-I35 PolarHBondContact O-N 2.88Å; T32-I35 VanDerWaalsContact O-N 3.09Å
33	D	57.5	Low	62.9	Low	161 Å²	161	98.2 Å²	98.2	86%	0.861	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-10	175.8	-67.6	-26.2	0	0	0	112.8	I35	D33-I35 VanDerWaalsContact C-N 3.25Å; D33-I35 PolarHBondContact O-N 3.47Å
34	D	54.4	Low	63.7	Low	140 Å²	140	100 Å²	100	75%	0.749	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19	174.4	-57.4	-38.6	0	0	0	113.8	T32	T32-D34 PolarHBondContact O-N 3.39Å
35	I	64	Low	64.1	Low	50 Å²	50	98.8 Å²	98.8	26%	0.256	53%	0.53	S	S	.	.			trans	-98.2	104.9	-178.3	-58.3	173.5	0	0	0	109.1	T32 D33 F37 L72	T32-I35 PolarHBondContact O-N 2.88Å; T32-I35 VanDerWaalsContact O-N 3.09Å; D33-I35 VanDerWaalsContact C-N 3.25Å; D33-I35 PolarHBondContact O-N 3.47Å; I35-F37 HydrophobicContact CG2-CD2 4.24Å; I35-F37 HydrophobicContact CG2-CE2 3.58Å; I35-F37 HydrophobicContact CG2-CZ 3.97Å; I35-L72 HydrophobicContact CD1-CD1 4Å; I35-L72 HydrophobicContact CD1-CD2 4.31Å; I35-L72 HydrophobicContact CG2-CD2 3.48Å; I35-L72 VanDerWaalsContact CG2-CD2 3.48Å
36	I	67.4	Low	64.3	Low	75 Å²	75	100.8 Å²	100.8	39%	0.385	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.1	178.4	-51.9	-161.8	0	0	0	110.2	V237 T239 N240	I36-V237 HydrophobicContact CB-CG1 4.29Å; I36-V237 HydrophobicContact CD1-CG1 3.34Å; I36-V237 HydrophobicContact CG1-CG1 3.74Å; I36-T239 HydrophobicContact CB-CG2 4.19Å; I36-T239 HydrophobicContact CG2-CG2 3.84Å; I36-T239 CarbonylContact O-C 3.55Å; I36-T239 WeakPolarHBondContact O-CA 3.41Å; I36-N240 PolarHBondContact O-N 3.29Å; I36-N240 PolarHBondContact O-ND2 3.5Å
37	F	76.1	Confident	64.5	Low	80 Å²	80	100.8 Å²	100.8	35%	0.351	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.4	170.6	-66.6	-95.2	0	0	0	109.9	I35 P70 L72 N240 I242	I35-F37 HydrophobicContact CG2-CD2 4.24Å; I35-F37 HydrophobicContact CG2-CE2 3.58Å; I35-F37 HydrophobicContact CG2-CZ 3.97Å; F37-P70 HydrophobicContact CD1-CG 4.32Å; F37-P70 HydrophobicContact CE1-CG 4.21Å; F37-L72 HydrophobicContact CE1-CD2 4.06Å; F37-L72 HydrophobicContact CE2-CD2 4.35Å; F37-L72 HydrophobicContact CZ-CD2 3.52Å; F37-N240 VanDerWaalsContact CA-O 3.29Å; F37-N240 WeakPolarHBondContact CA-O 3.19Å; F37-N240 HydrophobicContact CD1-CB 3.52Å; F37-N240 HydrophobicContact CE1-CB 3.73Å; F37-N240 HydrophobicContact CG-CB 4.22Å; F37-I242 HydrophobicContact CB-CD1 3.72Å; F37-I242 HydrophobicContact CB-CG1 4.09Å; F37-I242 HydrophobicContact CD1-CD1 3.89Å; F37-I242 HydrophobicContact CD1-CG1 3.8Å; F37-I242 HydrophobicContact CG-CD1 4.04Å; F37-I242 HydrophobicContact CG-CG1 4.34Å
38	D	78.4	Confident	64.5	Low	84 Å²	84	103.4 Å²	103.4	45%	0.449	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.8	175.1	-174	27.1	0	0	0	111	N240 P241 I242	D38-N240 PolarHBondContact N-O 2.82Å; D38-P241 CarbonylContact O-C 3.53Å; D38-P241 VanDerWaalsContact O-CA 3.3Å; D38-P241 WeakPolarHBondContact O-CA 3.29Å; D38-I242 PolarHBondContact O-N 3.42Å
39	F	86	Confident	64.5	Low	99 Å²	99	101 Å²	101	43%	0.434	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.9	-175.8	-81.2	-83.7	0	0	0	111.6	W41 I242 C244	F39-W41 HydrophobicContact CB-CZ2 4.37Å; F39-W41 HydrophobicContact CD1-CZ2 4.34Å; F39-W41 HydrophobicContact CG-CZ2 4.47Å; F39-I242 WeakPolarHBondContact CA-O 3.44Å; F39-I242 HydrophobicContact CD1-CB 3.98Å; F39-I242 HydrophobicContact CD1-CG2 3.86Å; F39-I242 HydrophobicContact CE1-CB 4.1Å; F39-I242 HydrophobicContact CE1-CD1 4.24Å; F39-I242 HydrophobicContact CE1-CG2 3.65Å; F39-I242 HydrophobicContact CE2-CD1 4.39Å; F39-I242 HydrophobicContact CZ-CD1 4.06Å; F39-I242 HydrophobicContact CZ-CG2 4.47Å; F39-C244 WeakPolarHBondContact CD1-SG 3.37Å
40	K	86.2	Confident	64.5	Low	110 Å²	110	100.9 Å²	100.9	48%	0.478	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.2	171.4	-69.1	-167	177.9	176.7	0	110.6	L42 P241 I242 S243 C244	K40-L42 PolarHBondContact O-N 2.86Å; K40-P241 HydrophobicContact CD-CB 3.72Å; K40-P241 HydrophobicContact CG-CB 4.03Å; K40-I242 PolarHBondContact N-O 3.3Å; K40-S243 CarbonylContact O-C 3.52Å; K40-S243 WeakPolarHBondContact O-CA 3.18Å; K40-C244 PolarHBondContact O-N 3.22Å
41	W	88.1	Confident	64.8	Low	55 Å²	55	105.7 Å²	105.7	21%	0.208	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	105.4	-179.7	-59.7	94.3	0	0	0	110.7	F39 I57 Y65 C244 K253 P254 L257	F39-W41 HydrophobicContact CB-CZ2 4.37Å; F39-W41 HydrophobicContact CD1-CZ2 4.34Å; F39-W41 HydrophobicContact CG-CZ2 4.47Å; W41-I57 HydrophobicContact CH2-CD1 4.01Å; W41-I57 HydrophobicContact CZ3-CD1 4.49Å; W41-Y65 AromaticContact CE3-CD1 3.75Å; W41-Y65 HydrophobicContact CE3-CD1 3.75Å; W41-Y65 AromaticContact CE3-CE1 3.81Å; W41-Y65 HydrophobicContact CE3-CE1 3.81Å; W41-Y65 HydrophobicContact CE3-CG 4.38Å; W41-Y65 HydrophobicContact CH2-CG 4.43Å; W41-Y65 AromaticContact CZ3-CD1 3.38Å; W41-Y65 HydrophobicContact CZ3-CD1 3.38Å; W41-Y65 AromaticContact CZ3-CD2 3.98Å; W41-Y65 HydrophobicContact CZ3-CD2 3.98Å; W41-Y65 AromaticContact CZ3-CE1 3.66Å; W41-Y65 HydrophobicContact CZ3-CE1 3.66Å; W41-Y65 HydrophobicContact CZ3-CE2 4.25Å; W41-Y65 AromaticContact CZ3-CG 3.56Å; W41-Y65 HydrophobicContact CZ3-CG 3.56Å; W41-C244 HydrophobicContact CD2-CB 4.26Å; W41-C244 HydrophobicContact CE3-CB 3.55Å; W41-C244 HydrophobicContact CH2-CB 4.3Å; W41-C244 HydrophobicContact CZ3-CB 3.56Å; W41-K253 HydrophobicContact CB-CB 4.17Å; W41-K253 HydrophobicContact CB-CG 4.24Å; W41-K253 HydrophobicContact CD2-CG 4.15Å; W41-K253 HydrophobicContact CG-CB 4.16Å; W41-K253 HydrophobicContact CG-CD 4.22Å; W41-K253 HydrophobicContact CG-CG 3.77Å; W41-P254 HydrophobicContact CE3-CG 4.3Å; W41-P254 HydrophobicContact CH2-CG 3.33Å; W41-P254 HydrophobicContact CZ2-CG 3.59Å; W41-P254 HydrophobicContact CZ3-CG 3.73Å; W41-L257 HydrophobicContact CZ2-CD2 4.13Å
42	L	83	Confident	65.2	Low	75 Å²	75	101.7 Å²	101.7	39%	0.393	53%	0.527	S	S	.	.			trans	-95.8	3.6	-172.7	-60.4	179	0	0	0	113.6	K40 S45 C244 H245	K40-L42 PolarHBondContact O-N 2.86Å; L42-S45 WeakPolarHBondContact O-CB 3.32Å; L42-S45 PolarHBondContact O-N 3.14Å; L42-C244 PolarHBondContact N-O 3.26Å; L42-H245 VanDerWaalsContact CD1-CE1 3.42Å; L42-H245 WeakPolarHBondContact CD1-CE1 3.47Å
43	G	79.5	Confident	66.3	Low	7 Å²	7	105.8 Å²	105.8	7%	0.072	55%	0.548	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-143.2	-176.9	0	0	0	0	0	113.2	S45 H245 S246	G43-S45 PolarHBondContact O-N 3.26Å; G43-H245 WeakPolarHBondContact O-CA 3.35Å; G43-S246 PolarHBondContact O-N 3.26Å; G43-S246 PolarHBondContact O-OG 3.34Å
44	N	71.5	Confident	67.6	Low	120 Å²	120	101.7 Å²	101.7	64%	0.642	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	3.4	-178.4	-84	-2.3	0	0	0	114	K46 S246	N44-K46 PolarHBondContact O-N 3.25Å; N44-K46 VanDerWaalsContact O-N 3.07Å; N44-S246 PolarHBondContact N-OG 2.86Å; N44-S246 PolarHBondContact OD1-O 2.85Å; N44-S246 PolarHBondContact OD1-OG 2.03Å
45	S	62.2	Low	69.3	Low	75 Å²	75	98 Å²	98	52%	0.524	51%	0.511	S	S	.	.			trans	-69.9	105.6	-178.9	-171.4	0	0	0	0	110	L42 G43 Q47 H245	L42-S45 WeakPolarHBondContact O-CB 3.32Å; L42-S45 PolarHBondContact O-N 3.14Å; G43-S45 PolarHBondContact O-N 3.26Å; S45-Q47 PolarHBondContact O-N 2.91Å; S45-H245 PolarHBondContact O-CE1 3.45Å; S45-H245 PolarHBondContact O-ND1 3.09Å
46	K	57.3	Low	70.5	Confident	172 Å²	172	103.6 Å²	103.6	75%	0.748	53%	0.533	S	S	*	.			trans	-75.3	110.9	173.6	-70.1	-179.6	-179.5	177.8	0	108.9	N44	N44-K46 PolarHBondContact O-N 3.25Å; N44-K46 VanDerWaalsContact O-N 3.07Å
47	Q	53.5	Low	71.7	Confident	155 Å²	155	102.7 Å²	102.7	72%	0.724	53%	0.529	S	S	*	.			trans	-106.9	106.1	153.6	-78.9	-155.9	-21.9	0	0	109	S45 G49	S45-Q47 PolarHBondContact O-N 2.91Å; Q47-G49 PolarHBondContact O-N 3.29Å
48	P	44.7	Very low	72.4	Confident	128 Å²	128	107.1 Å²	107.1	83%	0.831	54%	0.543	S	S	*	.			trans	-85.3	97.3	164.5	30.9	-21.7	0	0	0	107.3
49	G	47	Very low	73	Confident	57 Å²	57	104.6 Å²	104.6	59%	0.588	53%	0.531	S	S	*	.			trans	-125.8	104.6	175.8	0	0	0	0	0	110.7	Q47	Q47-G49 PolarHBondContact O-N 3.29Å
50	E	47.6	Very low	73.3	Confident	190 Å²	190	108.3 Å²	108.3	89%	0.888	55%	0.553	S	S	*	*	S	Bend	trans	57.6	108.2	154.8	-141.6	159.8	-158	0	0	119	S52	E50-S52 VanDerWaalsContact C-N 3.35Å; E50-S52 PolarHBondContact O-N 2.92Å
51	K	52.1	Low	73.4	Confident	220 Å²	220	108.3 Å²	108.3	96%	0.957	56%	0.557	S	S	*	*	S	Bend	trans	10.9	67.9	169.2	-67.5	-175.8	-179.7	176.9	0	116.2
52	S	61.2	Low	73.6	Confident	38 Å²	38	107.5 Å²	107.5	27%	0.266	57%	0.566	S	S	.	*			trans	-111.8	144.5	178	59.6	0	0	0	0	110.1	E50 V54 V68	E50-S52 VanDerWaalsContact C-N 3.35Å; E50-S52 PolarHBondContact O-N 2.92Å; S52-V54 WeakPolarHBondContact O-CG2 3.32Å; S52-V54 PolarHBondContact O-N 3.24Å; S52-V54 VanDerWaalsContact O-N 3.11Å; S52-V68 VanDerWaalsContact CB-CG1 3.41Å; S52-V68 WeakPolarHBondContact OG-CG1 3.14Å
53	D	75.3	Confident	74.1	Confident	131 Å²	131	104.6 Å²	104.6	70%	0.701	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.7	112.5	176.7	-77.9	-27.6	0	0	0	109.9	I69	D53-I69 PolarHBondContact O-N 3.13Å
54	V	83.9	Confident	74.7	Confident	75 Å²	75	105.3 Å²	105.3	46%	0.455	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	120.3	-177.9	-178.9	0	0	0	0	109.6	S52 E66 C67	S52-V54 WeakPolarHBondContact O-CG2 3.32Å; S52-V54 PolarHBondContact O-N 3.24Å; S52-V54 VanDerWaalsContact O-N 3.11Å; V54-E66 HydrophobicContact CG1-CG 3.12Å; V54-C67 WeakPolarHBondContact CA-O 3.45Å
55	V	89.3	Confident	75.7	Confident	62 Å²	62	99.8 Å²	99.8	38%	0.376	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	176	-179.5	0	0	0	0	109.8	I57 C67 I69	V55-I57 HydrophobicContact CG1-CG2 3.98Å; V55-C67 PolarHBondContact N-O 3.17Å; V55-C67 PolarHBondContact O-N 2.83Å; V55-I69 HydrophobicContact CB-CD1 4.45Å; V55-I69 HydrophobicContact CG2-CD1 3.46Å; V55-I69 VanDerWaalsContact CG2-CD1 3.46Å; V55-I69 HydrophobicContact CG2-CG1 3.99Å
56	K	91.1	Very high	77.1	Confident	167 Å²	167	98.5 Å²	98.5	73%	0.726	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.1	173.4	-64.5	179.8	-176.2	177	0	108.9	Y65 E66	K56-Y65 WeakPolarHBondContact CA-O 3.08Å; K56-E66 WeakPolarHBondContact CE-OE1 3.45Å; K56-E66 HydrophobicContact CG-CG 4.47Å
57	I	90.8	Very high	78.7	Confident	57 Å²	57	90.5 Å²	90.5	29%	0.292	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.4	177.9	66.9	172.1	0	0	0	109.8	W41 V55 Y65 C67	W41-I57 HydrophobicContact CH2-CD1 4.01Å; W41-I57 HydrophobicContact CZ3-CD1 4.49Å; V55-I57 HydrophobicContact CG1-CG2 3.98Å; I57-Y65 HydrophobicContact CG1-CD2 4.43Å; I57-Y65 PolarHBondContact N-O 2.85Å; I57-Y65 PolarHBondContact O-N 3.22Å; I57-C67 WeakPolarHBondContact CD1-SG 3.23Å
58	R	92.3	Very high	80.3	Confident	172 Å²	172	84.7 Å²	84.7	65%	0.649	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.2	177.5	174.6	176.8	-67.9	-166.9	-7.7	109	E63 D64	R58-E63 CarbonylContact C-O 3.58Å; R58-E63 VanDerWaalsContact CA-O 3.28Å; R58-E63 WeakPolarHBondContact CA-O 3.34Å; R58-D64 IonicContact CZ-OD1 3.26Å; R58-D64 VanDerWaalsContact CZ-OD1 3.26Å; R58-D64 IonicContact CZ-OD2 3.93Å; R58-D64 IonicContact NE-OD1 2.69Å; R58-D64 PolarHBondContact NE-OD1 3.07Å; R58-D64 IonicContact NH2-OD1 2.97Å; R58-D64 PolarHBondContact NH2-OD1 2.94Å; R58-D64 IonicContact NH2-OD2 3.04Å; R58-D64 PolarHBondContact NH2-OD2 2.04Å
59	T	91	Very high	82.2	Confident	31 Å²	31	81.9 Å²	81.9	19%	0.19	43%	0.427	C	S	.	.			trans	-76.3	162.4	174.3	72.2	0	0	0	0	110.7	I61 G62 E63 Y65 P254	T59-I61 PolarHBondContact O-N 3.45Å; T59-I61 WeakPolarHBondContact OG1-CG1 3.45Å; T59-G62 PolarHBondContact O-N 3.33Å; T59-E63 HydrophobicContact CG2-CB 3.97Å; T59-E63 WeakPolarHBondContact CG2-OE2 3.06Å; T59-E63 PolarHBondContact N-O 3.48Å; T59-E63 VanDerWaalsContact OG1-CB 3.23Å; T59-E63 WeakPolarHBondContact OG1-CB 3.24Å; T59-E63 WeakPolarHBondContact OG1-CG 3.3Å; T59-E63 PolarHBondContact OG1-N 3.13Å; T59-E63 VanDerWaalsContact OG1-N 3.1Å; T59-E63 PolarHBondContact OG1-OE2 3.34Å; T59-E63 VanDerWaalsContact OG1-OE2 3.05Å; T59-Y65 HydrophobicContact CG2-CD2 4.4Å; T59-Y65 HydrophobicContact CG2-CE2 3.87Å; T59-P254 HydrophobicContact CG2-CB 3.98Å; T59-P254 HydrophobicContact CG2-CG 4.15Å
60	I	90.7	Very high	83.4	Confident	177 Å²	177	80.4 Å²	80.4	91%	0.908	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.2	179.3	56	165.9	0	0	0	113.7
61	I	90.4	Very high	84.5	Confident	111 Å²	111	76.9 Å²	76.9	57%	0.569	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	7.9	178.2	56.3	169.4	0	0	0	113	T59 E63	T59-I61 PolarHBondContact O-N 3.45Å; T59-I61 WeakPolarHBondContact OG1-CG1 3.45Å; I61-E63 HydrophobicContact CD1-CG 4.1Å; I61-E63 HydrophobicContact CG1-CG 4.02Å
62	G	91.1	Very high	85.1	Confident	38 Å²	38	70.2 Å²	70.2	39%	0.392	37%	0.372	S	S	.	.			trans	87.7	17.2	173.3	0	0	0	0	0	115.7	T59	T59-G62 PolarHBondContact O-N 3.33Å
63	E	93.4	Very high	84.7	Confident	14 Å²	14	73.7 Å²	73.7	7%	0.065	38%	0.383	C	S	.	.			trans	-79.4	123.2	173.1	-54.2	162.3	145.4	0	0	109.4	R58 T59 I61 Y65 S250 P251 P254 S255	R58-E63 CarbonylContact C-O 3.58Å; R58-E63 VanDerWaalsContact CA-O 3.28Å; R58-E63 WeakPolarHBondContact CA-O 3.34Å; T59-E63 HydrophobicContact CG2-CB 3.97Å; T59-E63 WeakPolarHBondContact CG2-OE2 3.06Å; T59-E63 PolarHBondContact N-O 3.48Å; T59-E63 VanDerWaalsContact OG1-CB 3.23Å; T59-E63 WeakPolarHBondContact OG1-CB 3.24Å; T59-E63 WeakPolarHBondContact OG1-CG 3.3Å; T59-E63 PolarHBondContact OG1-N 3.13Å; T59-E63 VanDerWaalsContact OG1-N 3.1Å; T59-E63 PolarHBondContact OG1-OE2 3.34Å; T59-E63 VanDerWaalsContact OG1-OE2 3.05Å; I61-E63 HydrophobicContact CD1-CG 4.1Å; I61-E63 HydrophobicContact CG1-CG 4.02Å; E63-Y65 HydrophobicContact CB-CE2 3.62Å; E63-S250 WeakPolarHBondContact CA-OG 3.42Å; E63-P251 HydrophobicContact CG-CG 4.22Å; E63-P251 WeakPolarHBondContact OE1-CG 3.26Å; E63-P254 WeakPolarHBondContact OE2-CA 3.42Å; E63-S255 WeakPolarHBondContact OE1-CB 2.96Å; E63-S255 PolarHBondContact OE1-N 2.81Å; E63-S255 VanDerWaalsContact OE1-N 3.08Å; E63-S255 PolarHBondContact OE1-OG 2.83Å; E63-S255 PolarHBondContact OE2-N 3.31Å
64	D	92.8	Very high	83.4	Confident	22 Å²	22	75.4 Å²	75.4	12%	0.118	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133	-175.3	-73.2	-36.4	0	0	0	112	R58 K247 N248 S250	R58-D64 IonicContact CZ-OD1 3.26Å; R58-D64 VanDerWaalsContact CZ-OD1 3.26Å; R58-D64 IonicContact CZ-OD2 3.93Å; R58-D64 IonicContact NE-OD1 2.69Å; R58-D64 PolarHBondContact NE-OD1 3.07Å; R58-D64 IonicContact NH2-OD1 2.97Å; R58-D64 PolarHBondContact NH2-OD1 2.94Å; R58-D64 IonicContact NH2-OD2 3.04Å; R58-D64 PolarHBondContact NH2-OD2 2.04Å; D64-K247 HydrophobicContact CB-CB 4.04Å; D64-K247 PolarHBondContact O-N 2.71Å; D64-N248 HydrophobicContact CB-CB 4.42Å; D64-N248 PolarHBondContact OD2-ND2 3.23Å; D64-S250 PolarHBondContact N-OG 3.24Å; D64-S250 WeakPolarHBondContact O-CB 3.39Å; D64-S250 PolarHBondContact O-OG 2.97Å
65	Y	92.6	Very high	81.8	Confident	3 Å²	3	75 Å²	75	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152	175	-54.8	-95.2	0	0	0	112	W41 K56 I57 T59 E63 H245 P251 K253 P254	W41-Y65 AromaticContact CE3-CD1 3.75Å; W41-Y65 HydrophobicContact CE3-CD1 3.75Å; W41-Y65 AromaticContact CE3-CE1 3.81Å; W41-Y65 HydrophobicContact CE3-CE1 3.81Å; W41-Y65 HydrophobicContact CE3-CG 4.38Å; W41-Y65 HydrophobicContact CH2-CG 4.43Å; W41-Y65 AromaticContact CZ3-CD1 3.38Å; W41-Y65 HydrophobicContact CZ3-CD1 3.38Å; W41-Y65 AromaticContact CZ3-CD2 3.98Å; W41-Y65 HydrophobicContact CZ3-CD2 3.98Å; W41-Y65 AromaticContact CZ3-CE1 3.66Å; W41-Y65 HydrophobicContact CZ3-CE1 3.66Å; W41-Y65 HydrophobicContact CZ3-CE2 4.25Å; W41-Y65 AromaticContact CZ3-CG 3.56Å; W41-Y65 HydrophobicContact CZ3-CG 3.56Å; K56-Y65 WeakPolarHBondContact CA-O 3.08Å; I57-Y65 HydrophobicContact CG1-CD2 4.43Å; I57-Y65 PolarHBondContact N-O 2.85Å; I57-Y65 PolarHBondContact O-N 3.22Å; T59-Y65 HydrophobicContact CG2-CD2 4.4Å; T59-Y65 HydrophobicContact CG2-CE2 3.87Å; E63-Y65 HydrophobicContact CB-CE2 3.62Å; Y65-H245 CarbonylContact C-O 3.54Å; Y65-H245 WeakPolarHBondContact CA-O 3.39Å; Y65-H245 WeakPolarHBondContact CB-O 3.24Å; Y65-P251 VanDerWaalsContact CE1-O 3.23Å; Y65-P251 WeakPolarHBondContact CE1-O 3.32Å; Y65-P251 PolarHBondContact OH-O 2.83Å; Y65-P251 VanDerWaalsContact OH-O 3.12Å; Y65-K253 PolarHBondContact OH-O 3.47Å; Y65-P254 HydrophobicContact CE2-CB 4.49Å; Y65-P254 HydrophobicContact CE2-CG 3.76Å; Y65-P254 VanDerWaalsContact OH-CA 3.22Å; Y65-P254 WeakPolarHBondContact OH-CA 3.48Å; Y65-P254 WeakPolarHBondContact OH-CD 3.41Å
66	E	91.9	Very high	79.9	Confident	49 Å²	49	77.5 Å²	77.5	23%	0.229	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.7	173.5	-169.9	165	-128.5	0	0	108	V54 K56 H245 K247	V54-E66 HydrophobicContact CG1-CG 3.12Å; K56-E66 WeakPolarHBondContact CE-OE1 3.45Å; K56-E66 HydrophobicContact CG-CG 4.47Å; E66-H245 PolarHBondContact N-O 3.41Å; E66-H245 PolarHBondContact O-N 3.17Å; E66-K247 HydrophobicContact CB-CG 4.13Å; E66-K247 WeakPolarHBondContact OE2-CE 3.44Å; E66-K247 IonicContact OE2-NZ 2.67Å; E66-K247 PolarHBondContact OE2-NZ 2.65Å
67	C	90.5	Very high	77.9	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.02	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.9	-171.9	-62.8	0	0	0	0	110.8	V54 V55 I57 I242 S243 C244	V54-C67 WeakPolarHBondContact CA-O 3.45Å; V55-C67 PolarHBondContact N-O 3.17Å; V55-C67 PolarHBondContact O-N 2.83Å; I57-C67 WeakPolarHBondContact CD1-SG 3.23Å; C67-I242 HydrophobicContact CB-CG2 3.92Å; C67-S243 CarbonylContact C-O 3.59Å; C67-S243 WeakPolarHBondContact CA-O 3.24Å; C67-C244 HydrophobicContact CB-CB 4.16Å; C67-C244 WeakPolarHBondContact CB-SG 3.32Å; C67-C244 WeakPolarHBondContact SG-CB 3.38Å; C67-C244 CovalentContact SG-SG 2.03Å; C67-C244 PolarHBondContact SG-SG 2.68Å
68	V	87.3	Confident	76.1	Confident	34 Å²	34	75.4 Å²	75.4	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.8	177.9	178.3	0	0	0	0	108.4	S52 P70 S243	S52-V68 VanDerWaalsContact CB-CG1 3.41Å; S52-V68 WeakPolarHBondContact OG-CG1 3.14Å; V68-P70 WeakPolarHBondContact O-CD 3.48Å; V68-S243 PolarHBondContact N-O 3.25Å; V68-S243 PolarHBondContact O-N 2.86Å
69	I	83.3	Confident	74	Confident	69 Å²	69	70.7 Å²	70.7	35%	0.354	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.9	172.5	-60.7	-175.2	0	0	0	107.4	D53 V55	D53-I69 PolarHBondContact O-N 3.13Å; V55-I69 HydrophobicContact CB-CD1 4.45Å; V55-I69 HydrophobicContact CG2-CD1 3.46Å; V55-I69 VanDerWaalsContact CG2-CD1 3.46Å; V55-I69 HydrophobicContact CG2-CG1 3.99Å
70	P	74	Confident	72.2	Confident	25 Å²	25	74.4 Å²	74.4	16%	0.162	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-67.5	144.1	177.9	30.1	-34.9	0	0	0	109.6	F37 V68 L72 N240	F37-P70 HydrophobicContact CD1-CG 4.32Å; F37-P70 HydrophobicContact CE1-CG 4.21Å; V68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-L72 PolarHBondContact O-N 2.89Å; P70-N240 HydrophobicContact CG-CB 3.93Å
71	T	69.2	Low	70.5	Confident	116 Å²	116	67.6 Å²	67.6	71%	0.712	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-59.9	127.8	159.8	50.7	0	0	0	0	107.6	F73	T71-F73 PolarHBondContact O-N 2.9Å; T71-F73 VanDerWaalsContact O-N 3.14Å
72	L	64.3	Low	68.5	Low	80 Å²	80	68.3 Å²	68.3	42%	0.419	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-49.4	122.8	179.6	-67.7	172.6	0	0	0	109.8	I35 F37 P70 H74	I35-L72 HydrophobicContact CD1-CD1 4Å; I35-L72 HydrophobicContact CD1-CD2 4.31Å; I35-L72 HydrophobicContact CG2-CD2 3.48Å; I35-L72 VanDerWaalsContact CG2-CD2 3.48Å; F37-L72 HydrophobicContact CE1-CD2 4.06Å; F37-L72 HydrophobicContact CE2-CD2 4.35Å; F37-L72 HydrophobicContact CZ-CD2 3.52Å; P70-L72 PolarHBondContact O-N 2.89Å; L72-H74 PolarHBondContact O-N 2.82Å
73	F	53.1	Low	66.6	Low	112 Å²	112	73.2 Å²	73.2	49%	0.491	37%	0.373	S	S	.	.			trans	-67.3	107.9	164.1	-67	-80.3	0	0	0	105.9	T71 N75 N240	T71-F73 PolarHBondContact O-N 2.9Å; T71-F73 VanDerWaalsContact O-N 3.14Å; F73-N75 PolarHBondContact O-N 3.11Å; F73-N240 PolarHBondContact N-OD1 2.91Å
74	H	48.8	Very low	64.8	Low	167 Å²	167	74.9 Å²	74.9	77%	0.773	39%	0.386	S	S	*	.			trans	-59.7	125.9	161.3	-95.8	-49.1	0	0	0	106.8	L72 I76	L72-H74 PolarHBondContact O-N 2.82Å; H74-I76 PolarHBondContact O-N 2.84Å
75	N	49.4	Very low	63.1	Low	67 Å²	67	80.4 Å²	80.4	36%	0.358	42%	0.415	S	S	.	.			trans	-46.8	97.4	-175.9	-72.6	-29.3	0	0	0	110.3	F73 E77 E78 D79	F73-N75 PolarHBondContact O-N 3.11Å; N75-E77 PolarHBondContact O-N 2.83Å; N75-E77 VanDerWaalsContact O-N 3.14Å; N75-E78 HydrophobicContact CB-CB 3.93Å; N75-E78 HydrophobicContact CB-CG 3.65Å; N75-E78 PolarHBondContact ND2-OE1 2.88Å; N75-E78 WeakPolarHBondContact O-CB 3.24Å; N75-E78 PolarHBondContact O-N 2.79Å; N75-D79 PolarHBondContact O-N 2.91Å
76	I	49.6	Very low	61.7	Low	113 Å²	113	85.3 Å²	85.3	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-56.9	-31.9	175.2	-61.2	170.5	0	0	0	108.8	H74 E78 D79 E80	H74-I76 PolarHBondContact O-N 2.84Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 2.88Å; I76-D79 PolarHBondContact O-N 2.77Å; I76-D79 VanDerWaalsContact O-N 3.09Å; I76-E80 PolarHBondContact O-N 3.06Å
77	E	50.1	Low	60.6	Low	85 Å²	85	86.1 Å²	86.1	40%	0.397	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-30.1	175	-61.6	-176.6	-179	0	0	113.5	N75 D79 A81	N75-E77 PolarHBondContact O-N 2.83Å; N75-E77 VanDerWaalsContact O-N 3.14Å; E77-D79 VanDerWaalsContact C-N 3.32Å; E77-A81 PolarHBondContact O-N 2.91Å
78	E	51.5	Low	60.4	Low	95 Å²	95	88.2 Å²	88.2	44%	0.444	47%	0.467	S	S	.	.	H	α-helix	trans	-72.9	-28.1	173.5	-76.3	-177.2	-152.8	0	0	112.4	N75 I76 K82	N75-E78 HydrophobicContact CB-CB 3.93Å; N75-E78 HydrophobicContact CB-CG 3.65Å; N75-E78 PolarHBondContact ND2-OE1 2.88Å; N75-E78 WeakPolarHBondContact O-CB 3.24Å; N75-E78 PolarHBondContact O-N 2.79Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 2.88Å; E78-K82 WeakPolarHBondContact O-CG 3.36Å
79	D	49.6	Very low	60.4	Low	74 Å²	74	87.1 Å²	87.1	40%	0.396	46%	0.459	S	S	.	.	H	α-helix	trans	-80.6	-32.3	174.6	-71.5	-30.5	0	0	0	111.6	N75 I76 E77 A81 K82	N75-D79 PolarHBondContact O-N 2.91Å; I76-D79 PolarHBondContact O-N 2.77Å; I76-D79 VanDerWaalsContact O-N 3.09Å; E77-D79 VanDerWaalsContact C-N 3.32Å; D79-A81 VanDerWaalsContact C-N 3.33Å; D79-A81 PolarHBondContact O-N 3.25Å; D79-K82 WeakPolarHBondContact O-CB 3.47Å; D79-K82 PolarHBondContact O-N 3.05Å; D79-K82 VanDerWaalsContact O-N 3.12Å; D79-K82 WeakPolarHBondContact OD1-CE 3.29Å; D79-K82 IonicContact OD1-NZ 2.71Å; D79-K82 PolarHBondContact OD1-NZ 2.85Å
80	E	52.1	Low	60.6	Low	108 Å²	108	86.4 Å²	86.4	51%	0.505	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-39.2	170.9	-72.2	-169.3	169.4	0	0	111.9	I76 K82 N83 S84	I76-E80 PolarHBondContact O-N 3.06Å; E80-K82 PolarHBondContact O-N 2.78Å; E80-N83 PolarHBondContact O-N 3.2Å; E80-S84 PolarHBondContact O-N 3.46Å
81	A	54.8	Low	61.4	Low	34 Å²	34	89.4 Å²	89.4	28%	0.281	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-21.1	174.4	0	0	0	0	0	113.5	E77 D79 P230	E77-A81 PolarHBondContact O-N 2.91Å; D79-A81 VanDerWaalsContact C-N 3.33Å; D79-A81 PolarHBondContact O-N 3.25Å; A81-P230 HydrophobicContact CB-CB 4.06Å
82	K	49.3	Very low	62.5	Low	126 Å²	126	85 Å²	85	55%	0.548	45%	0.445	S	S	.	.	H	α-helix	trans	-75.9	-24	175.6	-72.4	172.7	-168.9	160.8	0	112.9	E78 D79 E80	E78-K82 WeakPolarHBondContact O-CG 3.36Å; D79-K82 WeakPolarHBondContact O-CB 3.47Å; D79-K82 PolarHBondContact O-N 3.05Å; D79-K82 VanDerWaalsContact O-N 3.12Å; D79-K82 WeakPolarHBondContact OD1-CE 3.29Å; D79-K82 IonicContact OD1-NZ 2.71Å; D79-K82 PolarHBondContact OD1-NZ 2.85Å; E80-K82 PolarHBondContact O-N 2.78Å
83	N	50.8	Low	63.9	Low	142 Å²	142	81.2 Å²	81.2	76%	0.759	43%	0.425	S	S	*	.	H	α-helix	trans	-109.5	-1.6	-173.1	-75.9	-26.3	0	0	0	114.1	E80 D85	E80-N83 PolarHBondContact O-N 3.2Å; N83-D85 PolarHBondContact O-N 2.95Å
84	S	55.3	Low	65.8	Low	48 Å²	48	80.7 Å²	80.7	34%	0.336	42%	0.424	S	S	.	.			trans	-76	116.5	176.4	59	0	0	0	0	110.5	E80	E80-S84 PolarHBondContact O-N 3.46Å
85	D	57.6	Low	67.9	Low	138 Å²	138	75.2 Å²	75.2	74%	0.738	40%	0.403	S	S	*	.			trans	-54.7	136.7	169.7	-76.3	-41.4	0	0	0	109.9	N83 V87	N83-D85 PolarHBondContact O-N 2.95Å; D85-V87 PolarHBondContact O-N 2.83Å
86	P	62.5	Low	70.1	Confident	106 Å²	106	72 Å²	72	69%	0.688	39%	0.386	S	S	*	.			trans	-69.8	91.9	-178.1	26.6	-32.1	0	0	0	110.1
87	V	70.3	Confident	72.2	Confident	67 Å²	67	67.5 Å²	67.5	41%	0.406	36%	0.362	S	S	.	.			trans	-81.8	128.2	169.7	-171.6	0	0	0	0	108.8	D85 T91 L92	D85-V87 PolarHBondContact O-N 2.83Å; V87-T91 HydrophobicContact CG1-CG2 4.26Å; V87-L92 HydrophobicContact CB-CD2 3.91Å; V87-L92 HydrophobicContact CB-CG 4.26Å; V87-L92 HydrophobicContact CG1-CD2 3.45Å; V87-L92 VanDerWaalsContact CG1-CD2 3.45Å; V87-L92 HydrophobicContact CG1-CG 3.86Å
88	D	84.5	Confident	74.2	Confident	47 Å²	47	68.5 Å²	68.5	25%	0.251	37%	0.374	S	S	.	.			trans	-60.3	134.2	176.8	174.5	86.9	0	0	0	111.2	E90 T91 L92	D88-E90 VanDerWaalsContact C-N 3.28Å; D88-E90 PolarHBondContact O-N 3.03Å; D88-E90 WeakPolarHBondContact OD2-CB 3.06Å; D88-E90 PolarHBondContact OD2-N 2.84Å; D88-E90 VanDerWaalsContact OD2-N 3.13Å; D88-T91 WeakPolarHBondContact O-CA 3.08Å; D88-T91 VanDerWaalsContact O-CB 3.27Å; D88-T91 WeakPolarHBondContact O-CB 3.17Å; D88-T91 PolarHBondContact O-N 3.21Å; D88-T91 PolarHBondContact OD2-N 3.4Å; D88-L92 PolarHBondContact O-N 2.77Å; D88-L92 VanDerWaalsContact O-N 3.13Å
89	E	88.7	Confident	76.1	Confident	11 Å²	11	69.8 Å²	69.8	5%	0.051	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-31.8	-172	-61.7	81.6	-176.3	0	0	112.7	T91 L92 L93 P154 Y173 L226 Y232	E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 3.34Å; E89-L92 WeakPolarHBondContact O-CB 2.94Å; E89-L92 PolarHBondContact O-N 3.3Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.42Å; E89-L93 PolarHBondContact O-N 3.49Å; E89-P154 WeakPolarHBondContact OE1-CD 3.42Å; E89-P154 WeakPolarHBondContact OE1-CG 3.48Å; E89-Y173 HydrophobicContact CB-CD1 4.04Å; E89-Y173 HydrophobicContact CB-CD2 3.68Å; E89-Y173 HydrophobicContact CB-CE1 4.05Å; E89-Y173 HydrophobicContact CB-CE2 3.69Å; E89-Y173 HydrophobicContact CB-CG 3.85Å; E89-Y173 HydrophobicContact CG-CD2 3.62Å; E89-Y173 HydrophobicContact CG-CE2 3.89Å; E89-Y173 HydrophobicContact CG-CG 4.09Å; E89-L226 HydrophobicContact CB-CD1 4.46Å; E89-L226 HydrophobicContact CG-CD1 4.45Å; E89-Y232 HydrophobicContact CG-CE2 3.67Å
90	E	87.6	Confident	78.1	Confident	54 Å²	54	69.2 Å²	69.2	25%	0.252	38%	0.375	S	S	.	.	H	α-helix	trans	-68.1	-34.4	175.3	-65.6	179.2	157.6	0	0	111	D88 L92 L93 Q94 Y143 K151 Y173	D88-E90 VanDerWaalsContact C-N 3.28Å; D88-E90 PolarHBondContact O-N 3.03Å; D88-E90 WeakPolarHBondContact OD2-CB 3.06Å; D88-E90 PolarHBondContact OD2-N 2.84Å; D88-E90 VanDerWaalsContact OD2-N 3.13Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L93 PolarHBondContact O-N 2.99Å; E90-Q94 PolarHBondContact O-N 2.82Å; E90-Y143 PolarHBondContact OE1-OH 2.91Å; E90-K151 IonicContact OE1-NZ 2.61Å; E90-K151 PolarHBondContact OE1-NZ 3.3Å; E90-K151 IonicContact OE2-NZ 2.89Å; E90-K151 PolarHBondContact OE2-NZ 2.95Å; E90-Y173 HydrophobicContact CG-CE1 4.44Å
91	T	90.6	Very high	80.1	Confident	88 Å²	88	67.4 Å²	67.4	54%	0.54	37%	0.373	S	S	.	.	H	α-helix	trans	-64.6	-39.4	173.4	-54.2	0	0	0	0	111	V87 D88 E89 L93	V87-T91 HydrophobicContact CG1-CG2 4.26Å; D88-T91 WeakPolarHBondContact O-CA 3.08Å; D88-T91 VanDerWaalsContact O-CB 3.27Å; D88-T91 WeakPolarHBondContact O-CB 3.17Å; D88-T91 PolarHBondContact O-N 3.21Å; D88-T91 PolarHBondContact OD2-N 3.4Å; E89-T91 VanDerWaalsContact C-N 3.29Å; E89-T91 PolarHBondContact O-N 3.34Å; T91-L93 VanDerWaalsContact C-N 3.34Å
92	L	91.8	Very high	82.1	Confident	24 Å²	24	68 Å²	68	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-65.5	-37.6	175.1	-61.7	-178.9	0	0	0	112.1	V87 D88 E89 E90 P95 F225 S228 N229	V87-L92 HydrophobicContact CB-CD2 3.91Å; V87-L92 HydrophobicContact CB-CG 4.26Å; V87-L92 HydrophobicContact CG1-CD2 3.45Å; V87-L92 VanDerWaalsContact CG1-CD2 3.45Å; V87-L92 HydrophobicContact CG1-CG 3.86Å; D88-L92 PolarHBondContact O-N 2.77Å; D88-L92 VanDerWaalsContact O-N 3.13Å; E89-L92 WeakPolarHBondContact O-CB 2.94Å; E89-L92 PolarHBondContact O-N 3.3Å; E90-L92 VanDerWaalsContact C-N 3.32Å; L92-P95 VanDerWaalsContact O-CD 3.32Å; L92-P95 WeakPolarHBondContact O-CD 3.45Å; L92-F225 WeakPolarHBondContact O-CB 3.36Å; L92-S228 VanDerWaalsContact CD2-OG 3.23Å; L92-S228 WeakPolarHBondContact CD2-OG 3.4Å; L92-N229 HydrophobicContact CD1-CB 3.69Å
93	L	94	Very high	84.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-84.7	-12.6	-178.3	-65.7	172.5	0	0	0	113.8	E89 E90 T91 P95 L96 F97 Y173 Y196 T223 L226	E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.42Å; E89-L93 PolarHBondContact O-N 3.49Å; E90-L93 PolarHBondContact O-N 2.99Å; T91-L93 VanDerWaalsContact C-N 3.34Å; L93-P95 VanDerWaalsContact C-CD 3.43Å; L93-L96 HydrophobicContact CD2-CD2 4.28Å; L93-L96 WeakPolarHBondContact O-CA 3.21Å; L93-L96 VanDerWaalsContact O-CB 3.24Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.21Å; L93-F97 HydrophobicContact CB-CE1 3.93Å; L93-F97 HydrophobicContact CB-CE2 3.88Å; L93-F97 HydrophobicContact CB-CZ 3.56Å; L93-F97 HydrophobicContact CD1-CZ 4.02Å; L93-F97 HydrophobicContact CG-CZ 4.39Å; L93-F97 WeakPolarHBondContact O-CG 3.37Å; L93-F97 PolarHBondContact O-N 3.49Å; L93-F97 VanDerWaalsContact O-N 3.13Å; L93-Y173 HydrophobicContact CD1-CD1 3.89Å; L93-Y173 HydrophobicContact CD1-CE1 4.35Å; L93-Y196 HydrophobicContact CD1-CD1 4.18Å; L93-Y196 HydrophobicContact CD1-CD2 4.08Å; L93-Y196 HydrophobicContact CD1-CE2 4.47Å; L93-Y196 HydrophobicContact CD1-CG 3.92Å; L93-Y196 HydrophobicContact CD2-CD1 4.1Å; L93-Y196 HydrophobicContact CD2-CG 4.41Å; L93-T223 HydrophobicContact CD2-CG2 3.69Å; L93-L226 HydrophobicContact CD2-CB 4.45Å
94	Q	92.7	Very high	86.2	Confident	101 Å²	101	60.3 Å²	60.3	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-55.7	-38.6	-178	-168.9	68.1	-9.7	0	0	114.9	E90 L96 F97 T98	E90-Q94 PolarHBondContact O-N 2.82Å; Q94-L96 VanDerWaalsContact C-N 3.35Å; Q94-L96 PolarHBondContact O-N 2.69Å; Q94-F97 PolarHBondContact O-N 3.44Å; Q94-T98 PolarHBondContact O-N 3.02Å; Q94-T98 VanDerWaalsContact O-N 3.13Å; Q94-T98 PolarHBondContact O-OG1 3.12Å
95	P	93.6	Very high	87.7	Confident	52 Å²	52	60.2 Å²	60.2	34%	0.338	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-41.8	173	-24.3	36.1	0	0	0	112.6	L92 L93 F97 T98 E99 F225	L92-P95 VanDerWaalsContact O-CD 3.32Å; L92-P95 WeakPolarHBondContact O-CD 3.45Å; L93-P95 VanDerWaalsContact C-CD 3.43Å; P95-F97 PolarHBondContact O-N 2.93Å; P95-T98 PolarHBondContact O-N 2.95Å; P95-E99 WeakPolarHBondContact O-CB 3.35Å; P95-E99 WeakPolarHBondContact O-CG 3.32Å; P95-E99 PolarHBondContact O-N 3.48Å; P95-F225 HydrophobicContact CB-CD1 3.85Å; P95-F225 HydrophobicContact CB-CE1 3.48Å; P95-F225 VanDerWaalsContact CB-CE1 3.48Å; P95-F225 HydrophobicContact CB-CE2 4.43Å; P95-F225 HydrophobicContact CB-CG 4.48Å; P95-F225 HydrophobicContact CB-CZ 3.8Å; P95-F225 HydrophobicContact CG-CD1 4.2Å; P95-F225 HydrophobicContact CG-CE1 4.24Å
96	L	94.1	Very high	89	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.8	-49.2	175.3	173.6	65.1	0	0	0	110.9	L93 Q94 T98 E99 Q100 Y196 F221 T223 F225	L93-L96 HydrophobicContact CD2-CD2 4.28Å; L93-L96 WeakPolarHBondContact O-CA 3.21Å; L93-L96 VanDerWaalsContact O-CB 3.24Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.21Å; Q94-L96 VanDerWaalsContact C-N 3.35Å; Q94-L96 PolarHBondContact O-N 2.69Å; L96-T98 PolarHBondContact O-N 3.24Å; L96-E99 PolarHBondContact O-N 3.32Å; L96-Q100 HydrophobicContact CD1-CB 4.32Å; L96-Q100 CarbonylContact O-C 3.53Å; L96-Q100 PolarHBondContact O-N 3.45Å; L96-Y196 HydrophobicContact CD2-CD1 4.34Å; L96-Y196 HydrophobicContact CD2-CE1 4.05Å; L96-F221 HydrophobicContact CD1-CE1 3.98Å; L96-F221 HydrophobicContact CD1-CZ 4.23Å; L96-F221 HydrophobicContact CD2-CD1 4.12Å; L96-F221 HydrophobicContact CD2-CE1 3.49Å; L96-F221 VanDerWaalsContact CD2-CE1 3.49Å; L96-F221 HydrophobicContact CD2-CZ 4.22Å; L96-F221 HydrophobicContact CG-CE1 4.3Å; L96-T223 HydrophobicContact CD2-CG2 4.26Å; L96-F225 HydrophobicContact CB-CD2 3.62Å; L96-F225 HydrophobicContact CB-CE2 3.87Å; L96-F225 HydrophobicContact CD1-CD2 4.49Å; L96-F225 HydrophobicContact CD1-CE2 4.41Å
97	F	94.2	Very high	89.6	Confident	18 Å²	18	52.7 Å²	52.7	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-24.4	-176.1	-58	-16	0	0	0	112.6	L93 Q94 P95 P101 H116 N117 Y196	L93-F97 HydrophobicContact CB-CE1 3.93Å; L93-F97 HydrophobicContact CB-CE2 3.88Å; L93-F97 HydrophobicContact CB-CZ 3.56Å; L93-F97 HydrophobicContact CD1-CZ 4.02Å; L93-F97 HydrophobicContact CG-CZ 4.39Å; L93-F97 WeakPolarHBondContact O-CG 3.37Å; L93-F97 PolarHBondContact O-N 3.49Å; L93-F97 VanDerWaalsContact O-N 3.13Å; Q94-F97 PolarHBondContact O-N 3.44Å; P95-F97 PolarHBondContact O-N 2.93Å; F97-P101 WeakPolarHBondContact O-CA 3.33Å; F97-H116 HydrophobicContact CB-CB 4.28Å; F97-H116 HydrophobicContact CD1-CB 3.29Å; F97-H116 AromaticContact CD1-CD2 3.67Å; F97-H116 AromaticContact CD1-CG 3.33Å; F97-H116 AromaticContact CD1-ND1 3.84Å; F97-H116 HydrophobicContact CE1-CB 3.64Å; F97-H116 AromaticContact CE1-CG 3.56Å; F97-H116 AromaticContact CE1-ND1 3.59Å; F97-H116 HydrophobicContact CG-CB 3.79Å; F97-H116 HydrophobicContact CZ-CB 4.37Å; F97-N117 VanDerWaalsContact CD2-ND2 3.32Å; F97-N117 WeakPolarHBondContact CD2-ND2 3.34Å; F97-Y196 HydrophobicContact CE1-CE1 4.05Å
98	T	92.9	Very high	89.9	Confident	106 Å²	106	53 Å²	53	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-84	-44.2	175.9	-52.8	0	0	0	0	111.8	Q94 P95 L96	Q94-T98 PolarHBondContact O-N 3.02Å; Q94-T98 VanDerWaalsContact O-N 3.13Å; Q94-T98 PolarHBondContact O-OG1 3.12Å; P95-T98 PolarHBondContact O-N 2.95Å; L96-T98 PolarHBondContact O-N 3.24Å
99	E	91	Very high	89.7	Confident	122 Å²	122	56.2 Å²	56.2	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-73.9	-39.8	-177.7	-72.1	-178.3	-171.3	0	0	112.8	P95 L96	P95-E99 WeakPolarHBondContact O-CB 3.35Å; P95-E99 WeakPolarHBondContact O-CG 3.32Å; P95-E99 PolarHBondContact O-N 3.48Å; L96-E99 PolarHBondContact O-N 3.32Å
100	Q	91	Very high	89.6	Confident	61 Å²	61	58.5 Å²	58.5	29%	0.285	32%	0.319	S	S	.	.			trans	-133	76.1	-176.4	-63.6	-174.1	-13.2	0	0	109	L96 C102 N103 H116 G204	L96-Q100 HydrophobicContact CD1-CB 4.32Å; L96-Q100 CarbonylContact O-C 3.53Å; L96-Q100 PolarHBondContact O-N 3.45Å; Q100-C102 PolarHBondContact O-N 3.19Å; Q100-N103 PolarHBondContact O-OD1 3.11Å; Q100-N103 PolarHBondContact OE1-ND2 3.32Å; Q100-H116 PolarHBondContact O-CD2 3.04Å; Q100-H116 PolarHBondContact O-NE2 2.86Å; Q100-G204 PolarHBondContact OE1-O 3.47Å
101	P	94.7	Very high	89.8	Confident	71 Å²	71	56.9 Å²	56.9	46%	0.461	31%	0.314	S	S	.	.	S	Bend	trans	-62.8	-27	-175.6	24.6	-34.8	0	0	0	113	F97 C115 H116	F97-P101 WeakPolarHBondContact O-CA 3.33Å; P101-C115 CarbonylContact O-C 3.52Å; P101-C115 VanDerWaalsContact O-CA 3.29Å; P101-C115 WeakPolarHBondContact O-CA 3.44Å; P101-H116 PolarHBondContact O-N 2.81Å
102	C	96.2	Very high	89.9	Confident	47 Å²	47	53.8 Å²	53.8	32%	0.318	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.9	175	-53.2	0	0	0	0	111.5	Q100 E113 L114 C115	Q100-C102 PolarHBondContact O-N 3.19Å; C102-E113 HydrophobicContact CB-CG 4.32Å; C102-L114 CarbonylContact C-O 3.46Å; C102-L114 WeakPolarHBondContact CA-O 3.48Å; C102-C115 HydrophobicContact CB-CB 4.09Å; C102-C115 WeakPolarHBondContact CB-SG 3.3Å; C102-C115 WeakPolarHBondContact SG-CB 3.41Å; C102-C115 CovalentContact SG-SG 2.04Å; C102-C115 PolarHBondContact SG-SG 2.74Å
103	N	93.7	Very high	90.1	Very high	22 Å²	22	53.7 Å²	53.7	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.7	174.9	-64.9	82.2	0	0	0	109.8	Q100 E113 L114 H116 G204 I206 F221	Q100-N103 PolarHBondContact O-OD1 3.11Å; Q100-N103 PolarHBondContact OE1-ND2 3.32Å; N103-E113 WeakPolarHBondContact O-CA 3.48Å; N103-L114 PolarHBondContact N-O 2.81Å; N103-L114 PolarHBondContact O-N 2.78Å; N103-H116 PolarHBondContact OD1-NE2 3.42Å; N103-G204 PolarHBondContact ND2-O 2.97Å; N103-I206 HydrophobicContact CB-CD1 4.36Å; N103-I206 HydrophobicContact CB-CG1 4.37Å; N103-I206 WeakPolarHBondContact O-CD1 3.29Å; N103-F221 HydrophobicContact CB-CE2 3.86Å; N103-F221 HydrophobicContact CB-CZ 4.34Å; N103-F221 WeakPolarHBondContact OD1-CZ 3.4Å
104	V	92.8	Very high	90.3	Very high	84 Å²	84	53.7 Å²	53.7	51%	0.509	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.4	179.9	-176.4	0	0	0	0	110.1	Y112 E113 F123	V104-Y112 CarbonylContact C-O 3.55Å; V104-Y112 VanDerWaalsContact CA-O 3.25Å; V104-Y112 WeakPolarHBondContact CA-O 3.45Å; V104-E113 HydrophobicContact CG2-CB 3.99Å; V104-E113 HydrophobicContact CG2-CG 4.02Å; V104-F123 HydrophobicContact CG1-CE1 4.31Å; V104-F123 HydrophobicContact CG1-CZ 4.07Å
105	R	88.2	Confident	90.5	Very high	45 Å²	45	48.9 Å²	48.9	17%	0.17	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.7	170.1	177.3	-177.7	176.3	95.6	-0.6	109.8	E107 Y112 I206 V207	R105-E107 HydrophobicContact CG-CG 4.18Å; R105-E107 IonicContact CZ-OE1 3.69Å; R105-E107 VanDerWaalsContact CZ-OE1 3.25Å; R105-E107 IonicContact NE-OE1 3.61Å; R105-E107 PolarHBondContact NE-OE1 2.86Å; R105-E107 IonicContact NH2-OE1 3.61Å; R105-E107 PolarHBondContact NH2-OE1 2.82Å; R105-Y112 PolarHBondContact N-O 2.86Å; R105-Y112 PolarHBondContact O-N 3.25Å; R105-I206 HydrophobicContact CB-CB 3.9Å; R105-I206 HydrophobicContact CB-CD1 3.98Å; R105-I206 HydrophobicContact CB-CG2 4.13Å; R105-I206 VanDerWaalsContact CD-CG2 3.5Å; R105-I206 WeakPolarHBondContact CD-O 3.47Å; R105-I206 HydrophobicContact CG-CG2 4.49Å; R105-I206 PolarHBondContact NH1-O 2.89Å; R105-V207 PolarHBondContact NH1-O 3.29Å; R105-V207 PolarHBondContact NH2-O 3.32Å
106	S	83.7	Confident	90.6	Very high	52 Å²	52	46.9 Å²	46.9	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.3	176	-59.2	0	0	0	0	110.5	S111 L389	S106-S111 WeakPolarHBondContact CB-OG 3.21Å; S106-S111 PolarHBondContact OG-OG 3.1Å; S106-L389 VanDerWaalsContact O-CD1 3.26Å; S106-L389 WeakPolarHBondContact O-CD1 3.15Å; S106-L389 WeakPolarHBondContact O-CG 3.28Å
107	E	74.7	Confident	90.6	Very high	35 Å²	35	49.6 Å²	49.6	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	103.5	177.4	-66.3	-168.6	158.7	0	0	110.9	R105 Y109 W110 Y112	R105-E107 HydrophobicContact CG-CG 4.18Å; R105-E107 IonicContact CZ-OE1 3.69Å; R105-E107 VanDerWaalsContact CZ-OE1 3.25Å; R105-E107 IonicContact NE-OE1 3.61Å; R105-E107 PolarHBondContact NE-OE1 2.86Å; R105-E107 IonicContact NH2-OE1 3.61Å; R105-E107 PolarHBondContact NH2-OE1 2.82Å; E107-Y109 PolarHBondContact O-N 3.33Å; E107-W110 CarbonylContact C-O 2.97Å; E107-W110 PolarHBondContact N-O 2.72Å; E107-W110 PolarHBondContact O-N 3.17Å; E107-W110 VanDerWaalsContact O-O 3.1Å; E107-Y112 HydrophobicContact CB-CE2 4.21Å; E107-Y112 HydrophobicContact CG-CE2 4.42Å
108	A	76.6	Confident	90.6	Very high	74 Å²	74	55.7 Å²	55.7	61%	0.612	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-93.6	175.8	0	0	0	0	0	112.7	W391	A108-W391 HydrophobicContact CB-CB 3.6Å
109	Y	80.9	Confident	90.8	Very high	113 Å²	113	52.4 Å²	52.4	44%	0.443	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-40.2	-179.9	-171.5	-99.5	0	0	0	112	E107 H124	E107-Y109 PolarHBondContact O-N 3.33Å; Y109-H124 AromaticContact CD2-CE1 3.59Å; Y109-H124 AromaticContact CD2-ND1 3.88Å; Y109-H124 HydrophobicContact CE1-CB 4.14Å; Y109-H124 AromaticContact CE1-CG 3.83Å; Y109-H124 AromaticContact CE2-CD2 3.84Å; Y109-H124 AromaticContact CE2-CE1 3.38Å; Y109-H124 WeakPolarHBondContact CE2-CE1 2.84Å; Y109-H124 AromaticContact CE2-ND1 3.82Å; Y109-H124 AromaticContact CE2-NE2 3.39Å; Y109-H124 WeakPolarHBondContact CE2-NE2 3.42Å; Y109-H124 AromaticContact CZ-CD2 3.52Å; Y109-H124 AromaticContact CZ-CE1 3.83Å; Y109-H124 AromaticContact CZ-CG 3.73Å; Y109-H124 AromaticContact CZ-ND1 3.91Å; Y109-H124 AromaticContact CZ-NE2 3.6Å; Y109-H124 PolarHBondContact O-ND1 2.79Å; Y109-H124 PolarHBondContact OH-CD2 3Å
110	W	87.1	Confident	91.2	Very high	60 Å²	60	46.6 Å²	46.6	23%	0.227	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.4	-175.2	-68	112.8	0	0	0	112.1	E107 Y112 Q122 H124 Q136 F138	E107-W110 CarbonylContact C-O 2.97Å; E107-W110 PolarHBondContact N-O 2.72Å; E107-W110 PolarHBondContact O-N 3.17Å; E107-W110 VanDerWaalsContact O-O 3.1Å; W110-Y112 HydrophobicContact CB-CE1 4.33Å; W110-Y112 HydrophobicContact CB-CE2 4.08Å; W110-Q122 HydrophobicContact CE3-CB 4.48Å; W110-Q122 HydrophobicContact CE3-CG 4.39Å; W110-H124 HydrophobicContact CE3-CB 3.84Å; W110-H124 HydrophobicContact CH2-CB 4.44Å; W110-H124 HydrophobicContact CZ3-CB 3.68Å; W110-Q136 HydrophobicContact CH2-CG 4.08Å; W110-Q136 HydrophobicContact CZ3-CG 4.36Å; W110-F138 HydrophobicContact CH2-CD2 4.19Å; W110-F138 AromaticContact CH2-CE2 3.85Å; W110-F138 HydrophobicContact CH2-CE2 3.85Å; W110-F138 HydrophobicContact CZ3-CD2 4.34Å; W110-F138 HydrophobicContact CZ3-CE2 4.39Å
111	S	90.8	Very high	91.4	Very high	20 Å²	20	45.5 Å²	45.5	14%	0.14	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.2	163.5	-63.8	0	0	0	0	109.7	S106 Q122 F123	S106-S111 WeakPolarHBondContact CB-OG 3.21Å; S106-S111 PolarHBondContact OG-OG 3.1Å; S111-Q122 CarbonylContact O-C 3.08Å; S111-Q122 WeakPolarHBondContact O-CA 3.3Å; S111-F123 VanDerWaalsContact CB-CZ 3.49Å; S111-F123 PolarHBondContact N-O 3.4Å; S111-F123 WeakPolarHBondContact O-CD1 3.49Å; S111-F123 PolarHBondContact O-N 2.71Å
112	Y	93.6	Very high	91.4	Very high	22 Å²	22	42.5 Å²	42.5	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.2	-179.8	-56.5	-78.9	0	0	0	109.2	V104 R105 E107 W110 K121 Q122 L140 V209	V104-Y112 CarbonylContact C-O 3.55Å; V104-Y112 VanDerWaalsContact CA-O 3.25Å; V104-Y112 WeakPolarHBondContact CA-O 3.45Å; R105-Y112 PolarHBondContact N-O 2.86Å; R105-Y112 PolarHBondContact O-N 3.25Å; E107-Y112 HydrophobicContact CB-CE2 4.21Å; E107-Y112 HydrophobicContact CG-CE2 4.42Å; W110-Y112 HydrophobicContact CB-CE1 4.33Å; W110-Y112 HydrophobicContact CB-CE2 4.08Å; Y112-K121 CarbonylContact C-O 3.55Å; Y112-K121 WeakPolarHBondContact CA-O 3.49Å; Y112-Q122 HydrophobicContact CD1-CB 3.69Å; Y112-Q122 HydrophobicContact CE1-CB 3.76Å; Y112-L140 HydrophobicContact CD1-CD1 3.93Å; Y112-L140 HydrophobicContact CE1-CD1 4.12Å; Y112-V209 HydrophobicContact CD1-CG1 3.94Å; Y112-V209 HydrophobicContact CD2-CB 4Å; Y112-V209 HydrophobicContact CD2-CG1 3.96Å; Y112-V209 HydrophobicContact CD2-CG2 3.92Å; Y112-V209 HydrophobicContact CE1-CG1 3.91Å; Y112-V209 HydrophobicContact CE2-CB 4.01Å; Y112-V209 HydrophobicContact CE2-CG1 3.9Å; Y112-V209 HydrophobicContact CE2-CG2 4.43Å; Y112-V209 HydrophobicContact CG-CB 4.4Å; Y112-V209 HydrophobicContact CG-CG1 3.96Å; Y112-V209 HydrophobicContact CG-CG2 4.17Å
113	E	95.9	Very high	91.3	Very high	23 Å²	23	41.4 Å²	41.4	11%	0.107	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120	172.2	174.5	-177	125.1	0	0	108.8	C102 N103 V104 C115 Y119 I120 K121 F123	C102-E113 HydrophobicContact CB-CG 4.32Å; N103-E113 WeakPolarHBondContact O-CA 3.48Å; V104-E113 HydrophobicContact CG2-CB 3.99Å; V104-E113 HydrophobicContact CG2-CG 4.02Å; E113-C115 PolarHBondContact OE1-SG 2.89Å; E113-Y119 WeakPolarHBondContact OE1-CE2 3.48Å; E113-Y119 PolarHBondContact OE1-OH 2.92Å; E113-I120 WeakPolarHBondContact O-CA 3.27Å; E113-K121 HydrophobicContact CB-CD 4.37Å; E113-K121 HydrophobicContact CB-CG 3.76Å; E113-K121 HydrophobicContact CG-CG 4.39Å; E113-K121 PolarHBondContact N-O 2.03Å; E113-K121 PolarHBondContact O-N 2.87Å; E113-K121 WeakPolarHBondContact OE1-CE 3.45Å; E113-K121 IonicContact OE1-NZ 2.83Å; E113-K121 PolarHBondContact OE1-NZ 3.29Å; E113-K121 WeakPolarHBondContact OE2-CE 3.25Å; E113-K121 IonicContact OE2-NZ 2.65Å; E113-K121 PolarHBondContact OE2-NZ 3.06Å; E113-F123 HydrophobicContact CB-CE1 4.05Å
114	L	97.5	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.1	167.6	169.2	63.6	0	0	0	107.8	C102 N103 I120 Y177 V194 I206 M219 F221	C102-L114 CarbonylContact C-O 3.46Å; C102-L114 WeakPolarHBondContact CA-O 3.48Å; N103-L114 PolarHBondContact N-O 2.81Å; N103-L114 PolarHBondContact O-N 2.78Å; L114-I120 HydrophobicContact CD1-CD1 4.07Å; L114-I120 HydrophobicContact CD1-CG1 3.51Å; L114-Y177 HydrophobicContact CD1-CE1 4.39Å; L114-Y177 HydrophobicContact CD1-CE2 4.4Å; L114-V194 HydrophobicContact CD1-CG2 3.84Å; L114-V194 HydrophobicContact CD2-CG1 3.92Å; L114-V194 HydrophobicContact CD2-CG2 4.36Å; L114-I206 HydrophobicContact CB-CD1 4.09Å; L114-M219 HydrophobicContact CB-CE 4.42Å; L114-M219 HydrophobicContact CB-SD 3.75Å; L114-M219 HydrophobicContact CD2-SD 3.84Å; L114-M219 HydrophobicContact CG-SD 4.27Å; L114-F221 HydrophobicContact CD2-CD2 3.5Å; L114-F221 VanDerWaalsContact CD2-CD2 3.5Å; L114-F221 HydrophobicContact CD2-CE2 3.89Å; L114-F221 HydrophobicContact CD2-CG 4.26Å
115	C	97.5	Very high	90.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.4	165.2	-72.5	0	0	0	0	109.1	P101 C102 E113 N117 R118 Y119	P101-C115 CarbonylContact O-C 3.52Å; P101-C115 VanDerWaalsContact O-CA 3.29Å; P101-C115 WeakPolarHBondContact O-CA 3.44Å; C102-C115 HydrophobicContact CB-CB 4.09Å; C102-C115 WeakPolarHBondContact CB-SG 3.3Å; C102-C115 WeakPolarHBondContact SG-CB 3.41Å; C102-C115 CovalentContact SG-SG 2.04Å; C102-C115 PolarHBondContact SG-SG 2.74Å; E113-C115 PolarHBondContact OE1-SG 2.89Å; C115-N117 PolarHBondContact O-N 3.01Å; C115-R118 HydrophobicContact CB-CB 3.97Å; C115-R118 PolarHBondContact O-N 3.24Å; C115-R118 VanDerWaalsContact O-N 3.08Å; C115-Y119 HydrophobicContact CB-CD2 4.28Å; C115-Y119 HydrophobicContact CB-CE1 4.36Å; C115-Y119 HydrophobicContact CB-CE2 4.01Å; C115-Y119 PolarHBondContact N-O 3.17Å; C115-Y119 PolarHBondContact O-N 3.41Å; C115-Y119 VanDerWaalsContact O-N 3.14Å; C115-Y119 VanDerWaalsContact SG-CZ 3.52Å; C115-Y119 PolarHBondContact SG-OH 3.09Å; C115-Y119 VanDerWaalsContact SG-OH 3.35Å
116	H	95.5	Very high	89.5	Confident	9 Å²	9	45 Å²	45	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	138.8	-175.5	-54.7	-68.4	0	0	0	111.1	F97 Q100 P101 N103 R118 Y196 F221	F97-H116 HydrophobicContact CB-CB 4.28Å; F97-H116 HydrophobicContact CD1-CB 3.29Å; F97-H116 AromaticContact CD1-CD2 3.67Å; F97-H116 AromaticContact CD1-CG 3.33Å; F97-H116 AromaticContact CD1-ND1 3.84Å; F97-H116 HydrophobicContact CE1-CB 3.64Å; F97-H116 AromaticContact CE1-CG 3.56Å; F97-H116 AromaticContact CE1-ND1 3.59Å; F97-H116 HydrophobicContact CG-CB 3.79Å; F97-H116 HydrophobicContact CZ-CB 4.37Å; Q100-H116 PolarHBondContact O-CD2 3.04Å; Q100-H116 PolarHBondContact O-NE2 2.86Å; P101-H116 PolarHBondContact O-N 2.81Å; N103-H116 PolarHBondContact OD1-NE2 3.42Å; H116-R118 PolarHBondContact O-N 2.73Å; H116-R118 VanDerWaalsContact O-N 3.13Å; H116-Y196 AromaticContact CE1-CE1 3.82Å; H116-Y196 AromaticContact ND1-CE1 3.84Å; H116-Y196 AromaticContact ND1-CZ 3.77Å; H116-Y196 PolarHBondContact ND1-OH 3.23Å; H116-F221 AromaticContact CE1-CE1 3.98Å; H116-F221 AromaticContact CE1-CE2 3.64Å; H116-F221 AromaticContact CE1-CZ 3.55Å; H116-F221 AromaticContact NE2-CE2 3.98Å; H116-F221 AromaticContact NE2-CZ 3.62Å
117	N	93.3	Very high	88.5	Confident	58 Å²	58	46.9 Å²	46.9	31%	0.31	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	20.7	-176.6	-59.9	-20.2	0	0	0	114.8	F97 C115 Y143 Y177	F97-N117 VanDerWaalsContact CD2-ND2 3.32Å; F97-N117 WeakPolarHBondContact CD2-ND2 3.34Å; C115-N117 PolarHBondContact O-N 3.01Å; N117-Y143 HydrophobicContact CB-CD1 4.01Å; N117-Y143 HydrophobicContact CB-CE1 4.16Å; N117-Y177 PolarHBondContact N-OH 3.05Å
118	R	95.6	Very high	87.6	Confident	145 Å²	145	50.5 Å²	50.5	55%	0.547	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-76	-178.5	-63.7	178.4	66.4	-171.7	-1.2	111.9	C115 H116 Y143	C115-R118 HydrophobicContact CB-CB 3.97Å; C115-R118 PolarHBondContact O-N 3.24Å; C115-R118 VanDerWaalsContact O-N 3.08Å; H116-R118 PolarHBondContact O-N 2.73Å; H116-R118 VanDerWaalsContact O-N 3.13Å; R118-Y143 PolarHBondContact O-N 2.69Å
119	Y	97.4	Very high	86.8	Confident	37 Å²	37	56.1 Å²	56.1	15%	0.145	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	164.6	-173.8	60.9	-106.8	0	0	0	111.7	E113 C115 K121 Y139 G141	E113-Y119 WeakPolarHBondContact OE1-CE2 3.48Å; E113-Y119 PolarHBondContact OE1-OH 2.92Å; C115-Y119 HydrophobicContact CB-CD2 4.28Å; C115-Y119 HydrophobicContact CB-CE1 4.36Å; C115-Y119 HydrophobicContact CB-CE2 4.01Å; C115-Y119 PolarHBondContact N-O 3.17Å; C115-Y119 PolarHBondContact O-N 3.41Å; C115-Y119 VanDerWaalsContact O-N 3.14Å; C115-Y119 VanDerWaalsContact SG-CZ 3.52Å; C115-Y119 PolarHBondContact SG-OH 3.09Å; C115-Y119 VanDerWaalsContact SG-OH 3.35Å; Y119-K121 HydrophobicContact CD2-CB 4.2Å; Y119-K121 HydrophobicContact CD2-CD 4.48Å; Y119-K121 HydrophobicContact CD2-CG 4.25Å; Y119-K121 HydrophobicContact CE2-CB 4.32Å; Y119-K121 HydrophobicContact CE2-CD 3.78Å; Y119-K121 HydrophobicContact CE2-CG 3.91Å; Y119-Y139 HydrophobicContact CD1-CE1 4.13Å; Y119-Y139 HydrophobicContact CD2-CD1 4.19Å; Y119-Y139 AromaticContact CD2-CE1 3.85Å; Y119-Y139 HydrophobicContact CD2-CE1 3.85Å; Y119-Y139 HydrophobicContact CE2-CE1 4.36Å; Y119-Y139 HydrophobicContact CG-CD1 4.1Å; Y119-Y139 AromaticContact CG-CE1 3.76Å; Y119-Y139 HydrophobicContact CG-CE1 3.76Å; Y119-G141 CarbonylContact C-O 3.6Å; Y119-G141 VanDerWaalsContact CA-O 3.32Å; Y119-G141 WeakPolarHBondContact CA-O 3.14Å
120	I	97.9	Very high	85.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.8	162.8	-59.8	163.2	0	0	0	107.1	E113 L114 Y139 L140 G141 Y177 A192 V194 M219	E113-I120 WeakPolarHBondContact O-CA 3.27Å; L114-I120 HydrophobicContact CD1-CD1 4.07Å; L114-I120 HydrophobicContact CD1-CG1 3.51Å; I120-Y139 CarbonylContact O-C 3.57Å; I120-Y139 WeakPolarHBondContact O-CA 3.47Å; I120-L140 HydrophobicContact CB-CB 4.09Å; I120-L140 HydrophobicContact CG2-CB 3.84Å; I120-L140 HydrophobicContact CG2-CD1 3.83Å; I120-L140 HydrophobicContact CG2-CG 4.02Å; I120-L140 PolarHBondContact O-N 3.07Å; I120-G141 PolarHBondContact N-O 3.38Å; I120-Y177 HydrophobicContact CD1-CD1 3.94Å; I120-Y177 HydrophobicContact CD1-CD2 3.69Å; I120-Y177 HydrophobicContact CD1-CE1 4.38Å; I120-Y177 HydrophobicContact CD1-CE2 4.19Å; I120-Y177 HydrophobicContact CD1-CG 3.57Å; I120-Y177 HydrophobicContact CG1-CD1 3.83Å; I120-Y177 HydrophobicContact CG1-CD2 4.39Å; I120-Y177 HydrophobicContact CG1-CE1 4.04Å; I120-Y177 HydrophobicContact CG1-CG 4.02Å; I120-A192 HydrophobicContact CD1-CB 3.64Å; I120-V194 HydrophobicContact CD1-CG2 3.48Å; I120-V194 VanDerWaalsContact CD1-CG2 3.48Å; I120-V194 HydrophobicContact CG1-CG2 4.41Å; I120-M219 HydrophobicContact CG2-CE 4.01Å
121	K	96	Very high	84.5	Confident	38 Å²	38	64 Å²	64	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.1	174.1	70.4	179.2	-160.5	-145	0	110.7	Y112 E113 Y119 F123 F138 Y139	Y112-K121 CarbonylContact C-O 3.55Å; Y112-K121 WeakPolarHBondContact CA-O 3.49Å; E113-K121 HydrophobicContact CB-CD 4.37Å; E113-K121 HydrophobicContact CB-CG 3.76Å; E113-K121 HydrophobicContact CG-CG 4.39Å; E113-K121 PolarHBondContact N-O 2.03Å; E113-K121 PolarHBondContact O-N 2.87Å; E113-K121 WeakPolarHBondContact OE1-CE 3.45Å; E113-K121 IonicContact OE1-NZ 2.83Å; E113-K121 PolarHBondContact OE1-NZ 3.29Å; E113-K121 WeakPolarHBondContact OE2-CE 3.25Å; E113-K121 IonicContact OE2-NZ 2.65Å; E113-K121 PolarHBondContact OE2-NZ 3.06Å; Y119-K121 HydrophobicContact CD2-CB 4.2Å; Y119-K121 HydrophobicContact CD2-CD 4.48Å; Y119-K121 HydrophobicContact CD2-CG 4.25Å; Y119-K121 HydrophobicContact CE2-CB 4.32Å; Y119-K121 HydrophobicContact CE2-CD 3.78Å; Y119-K121 HydrophobicContact CE2-CG 3.91Å; K121-F123 HydrophobicContact CG-CD1 4.38Å; K121-F138 CarbonylContact C-O 3.21Å; K121-F138 WeakPolarHBondContact CA-O 3.4Å; K121-Y139 HydrophobicContact CB-CD1 4.19Å; K121-Y139 HydrophobicContact CB-CE1 4.28Å
122	Q	94.6	Very high	83.1	Confident	8 Å²	8	69.7 Å²	69.7	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143	162.5	69.4	178	22.2	0	0	109	W110 S111 Y112 E137 F138 L140	W110-Q122 HydrophobicContact CE3-CB 4.48Å; W110-Q122 HydrophobicContact CE3-CG 4.39Å; S111-Q122 CarbonylContact O-C 3.08Å; S111-Q122 WeakPolarHBondContact O-CA 3.3Å; Y112-Q122 HydrophobicContact CD1-CB 3.69Å; Y112-Q122 HydrophobicContact CE1-CB 3.76Å; Q122-E137 WeakPolarHBondContact O-CA 3.4Å; Q122-F138 HydrophobicContact CG-CB 3.73Å; Q122-F138 HydrophobicContact CG-CD2 4.12Å; Q122-F138 HydrophobicContact CG-CG 4.42Å; Q122-F138 PolarHBondContact N-O 3.2Å; Q122-F138 VanDerWaalsContact NE2-CD2 3.29Å; Q122-F138 PolarHBondContact O-N 3.29Å; Q122-L140 HydrophobicContact CB-CD1 4.34Å; Q122-L140 HydrophobicContact CB-CD2 4.14Å; Q122-L140 HydrophobicContact CB-CG 4.31Å; Q122-L140 HydrophobicContact CG-CD2 3.7Å; Q122-L140 HydrophobicContact CG-CG 4.37Å
123	F	93.3	Very high	81.6	Confident	24 Å²	24	70.7 Å²	70.7	11%	0.105	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	151	178	64.3	-78.8	0	0	0	111.8	V104 S111 E113 K121 E125 V135 Q136 E137	V104-F123 HydrophobicContact CG1-CE1 4.31Å; V104-F123 HydrophobicContact CG1-CZ 4.07Å; S111-F123 VanDerWaalsContact CB-CZ 3.49Å; S111-F123 PolarHBondContact N-O 3.4Å; S111-F123 WeakPolarHBondContact O-CD1 3.49Å; S111-F123 PolarHBondContact O-N 2.71Å; E113-F123 HydrophobicContact CB-CE1 4.05Å; K121-F123 HydrophobicContact CG-CD1 4.38Å; F123-E125 HydrophobicContact CD2-CG 4.04Å; F123-E125 HydrophobicContact CE2-CG 4.26Å; F123-V135 HydrophobicContact CB-CG1 4.11Å; F123-Q136 CarbonylContact C-O 3.51Å; F123-Q136 WeakPolarHBondContact CA-O 3.36Å; F123-E137 HydrophobicContact CB-CB 4.42Å
124	H	87.7	Confident	80	Confident	37 Å²	37	72.6 Å²	72.6	17%	0.171	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.2	171.1	178.2	71.9	0	0	0	108.9	Y109 W110 Q136	Y109-H124 AromaticContact CD2-CE1 3.59Å; Y109-H124 AromaticContact CD2-ND1 3.88Å; Y109-H124 HydrophobicContact CE1-CB 4.14Å; Y109-H124 AromaticContact CE1-CG 3.83Å; Y109-H124 AromaticContact CE2-CD2 3.84Å; Y109-H124 AromaticContact CE2-CE1 3.38Å; Y109-H124 WeakPolarHBondContact CE2-CE1 2.84Å; Y109-H124 AromaticContact CE2-ND1 3.82Å; Y109-H124 AromaticContact CE2-NE2 3.39Å; Y109-H124 WeakPolarHBondContact CE2-NE2 3.42Å; Y109-H124 AromaticContact CZ-CD2 3.52Å; Y109-H124 AromaticContact CZ-CE1 3.83Å; Y109-H124 AromaticContact CZ-CG 3.73Å; Y109-H124 AromaticContact CZ-ND1 3.91Å; Y109-H124 AromaticContact CZ-NE2 3.6Å; Y109-H124 PolarHBondContact O-ND1 2.79Å; Y109-H124 PolarHBondContact OH-CD2 3Å; W110-H124 HydrophobicContact CE3-CB 3.84Å; W110-H124 HydrophobicContact CH2-CB 4.44Å; W110-H124 HydrophobicContact CZ3-CB 3.68Å; H124-Q136 PolarHBondContact N-O 2.88Å; H124-Q136 PolarHBondContact O-N 3.48Å; H124-Q136 VanDerWaalsContact O-N 3.11Å
125	E	78.6	Confident	79	Confident	113 Å²	113	75.8 Å²	75.8	53%	0.528	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.8	176.4	-62.8	-175.6	178.2	0	0	109.8	F123 K127 V135	F123-E125 HydrophobicContact CD2-CG 4.04Å; F123-E125 HydrophobicContact CE2-CG 4.26Å; E125-K127 PolarHBondContact O-N 3Å; E125-K127 VanDerWaalsContact O-N 3.13Å; E125-V135 HydrophobicContact CG-CG1 4.49Å; E125-V135 HydrophobicContact CG-CG2 4.24Å
126	E	71.1	Confident	78.5	Confident	75 Å²	75	79.9 Å²	79.9	35%	0.35	38%	0.384	S	S	.	.			trans	-71.1	106.4	172	-74.8	-168.7	173.6	0	0	109.6	K128 P133 P134	E126-K128 VanDerWaalsContact C-N 3.29Å; E126-K128 PolarHBondContact O-N 2.83Å; E126-K128 WeakPolarHBondContact OE2-CE 3.32Å; E126-K128 IonicContact OE2-NZ 2.63Å; E126-K128 PolarHBondContact OE2-NZ 2.98Å; E126-P133 WeakPolarHBondContact O-CB 3.17Å; E126-P134 HydrophobicContact CB-CG 4.3Å; E126-P134 WeakPolarHBondContact OE2-CG 3.28Å
127	K	63.5	Low	78.3	Confident	93 Å²	93	84.9 Å²	84.9	40%	0.404	41%	0.407	S	S	.	.			trans	-68.8	80.4	179.4	-57.5	-177	-175.4	-179.9	0	112.2	E125 E488 K491	E125-K127 PolarHBondContact O-N 3Å; E125-K127 VanDerWaalsContact O-N 3.13Å; K127-E488 IonicContact NZ-OE1 3.98Å; K127-E488 PolarHBondContact NZ-OE1 2.95Å; K127-E488 IonicContact NZ-OE2 3.87Å; K127-K491 HydrophobicContact CB-CD 4.29Å; K127-K491 HydrophobicContact CB-CG 4.32Å; K127-K491 HydrophobicContact CD-CD 4.25Å; K127-K491 HydrophobicContact CD-CG 3.46Å; K127-K491 VanDerWaalsContact CD-CG 3.46Å; K127-K491 WeakPolarHBondContact O-CE 3.46Å; K127-K491 PolarHBondContact O-NZ 3.4Å
128	K	56.1	Low	78.4	Confident	110 Å²	110	84.3 Å²	84.3	48%	0.478	40%	0.402	S	S	.	.			trans	-91.7	149.1	166.6	-74.9	176.2	177.3	143.9	0	109.9	E126 E130	E126-K128 VanDerWaalsContact C-N 3.29Å; E126-K128 PolarHBondContact O-N 2.83Å; E126-K128 WeakPolarHBondContact OE2-CE 3.32Å; E126-K128 IonicContact OE2-NZ 2.63Å; E126-K128 PolarHBondContact OE2-NZ 2.98Å; K128-E130 PolarHBondContact O-N 2.83Å
129	L	58.4	Low	78.5	Confident	193 Å²	193	80.6 Å²	80.6	100%	1.01	39%	0.388	S	S	*	.	S	Bend	trans	-66.8	8.2	177.7	-77.3	160.8	0	0	0	113.9
130	E	60.2	Low	78.4	Confident	132 Å²	132	78.9 Å²	78.9	62%	0.617	38%	0.382	S	S	*	.	S	Bend	trans	-83.7	149.1	176.4	-69.3	179	169.3	0	0	110.1	K128 N132	K128-E130 PolarHBondContact O-N 2.83Å; E130-N132 PolarHBondContact O-N 3.13Å
131	K	60.2	Low	78.4	Confident	207 Å²	207	78.9 Å²	78.9	90%	0.9	38%	0.381	S	S	*	.	S	Bend	trans	-59	-20.6	-175.9	-77.6	-177.6	175.2	179.5	0	114
132	N	61.8	Low	78.5	Confident	139 Å²	139	79.5 Å²	79.5	74%	0.743	39%	0.385	S	S	*	.	S	Bend	trans	-140.2	92.3	178.7	-66.2	-35.1	0	0	0	109	E130	E130-N132 PolarHBondContact O-N 3.13Å
133	P	61.7	Low	78.5	Confident	42 Å²	42	81 Å²	81	27%	0.273	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-60.4	146	175.4	23.9	-32.3	0	0	0	111.4	E126 V135	E126-P133 WeakPolarHBondContact O-CB 3.17Å; P133-V135 PolarHBondContact O-N 2.81Å; P133-V135 VanDerWaalsContact O-N 3.17Å
134	P	62.7	Low	78.3	Confident	64 Å²	64	86.2 Å²	86.2	42%	0.416	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-62.4	120.3	172.1	26.9	-32.2	0	0	0	108.9	E126	E126-P134 HydrophobicContact CB-CG 4.3Å; E126-P134 WeakPolarHBondContact OE2-CG 3.28Å
135	V	75.8	Confident	78.1	Confident	67 Å²	67	88.8 Å²	88.8	41%	0.406	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.8	176.1	-177.9	0	0	0	0	107.7	F123 E125 P133	F123-V135 HydrophobicContact CB-CG1 4.11Å; E125-V135 HydrophobicContact CG-CG1 4.49Å; E125-V135 HydrophobicContact CG-CG2 4.24Å; P133-V135 PolarHBondContact O-N 2.81Å; P133-V135 VanDerWaalsContact O-N 3.17Å
136	Q	86.5	Confident	77.8	Confident	86 Å²	86	87.7 Å²	87.7	40%	0.402	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116	168.9	-172.8	175.8	18	0	0	107.7	W110 F123 H124 F138	W110-Q136 HydrophobicContact CH2-CG 4.08Å; W110-Q136 HydrophobicContact CZ3-CG 4.36Å; F123-Q136 CarbonylContact C-O 3.51Å; F123-Q136 WeakPolarHBondContact CA-O 3.36Å; H124-Q136 PolarHBondContact N-O 2.88Å; H124-Q136 PolarHBondContact O-N 3.48Å; H124-Q136 VanDerWaalsContact O-N 3.11Å; Q136-F138 HydrophobicContact CG-CD2 4.31Å; Q136-F138 HydrophobicContact CG-CE2 3.55Å; Q136-F138 HydrophobicContact CG-CZ 4.06Å; Q136-F138 VanDerWaalsContact NE2-CE2 3.31Å
137	E	92	Very high	77.5	Confident	114 Å²	114	90.1 Å²	90.1	53%	0.533	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.7	-178.2	62.5	176.6	-157.5	0	0	112	Q122 F123	Q122-E137 WeakPolarHBondContact O-CA 3.4Å; F123-E137 HydrophobicContact CB-CB 4.42Å
138	F	94.9	Very high	77.4	Confident	45 Å²	45	94.4 Å²	94.4	20%	0.197	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.2	171.3	-56.7	-87.4	0	0	0	109.9	W110 K121 Q122 Q136 T181	W110-F138 HydrophobicContact CH2-CD2 4.19Å; W110-F138 AromaticContact CH2-CE2 3.85Å; W110-F138 HydrophobicContact CH2-CE2 3.85Å; W110-F138 HydrophobicContact CZ3-CD2 4.34Å; W110-F138 HydrophobicContact CZ3-CE2 4.39Å; K121-F138 CarbonylContact C-O 3.21Å; K121-F138 WeakPolarHBondContact CA-O 3.4Å; Q122-F138 HydrophobicContact CG-CB 3.73Å; Q122-F138 HydrophobicContact CG-CD2 4.12Å; Q122-F138 HydrophobicContact CG-CG 4.42Å; Q122-F138 PolarHBondContact N-O 3.2Å; Q122-F138 VanDerWaalsContact NE2-CD2 3.29Å; Q122-F138 PolarHBondContact O-N 3.29Å; Q136-F138 HydrophobicContact CG-CD2 4.31Å; Q136-F138 HydrophobicContact CG-CE2 3.55Å; Q136-F138 HydrophobicContact CG-CZ 4.06Å; Q136-F138 VanDerWaalsContact NE2-CE2 3.31Å; F138-T181 HydrophobicContact CD1-CG2 3.8Å
139	Y	97.5	Very high	77.5	Confident	68 Å²	68	94.9 Å²	94.9	27%	0.267	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.1	169.8	-71.7	-92.2	0	0	0	109	Y119 I120 K121 H142 G180 T181	Y119-Y139 HydrophobicContact CD1-CE1 4.13Å; Y119-Y139 HydrophobicContact CD2-CD1 4.19Å; Y119-Y139 AromaticContact CD2-CE1 3.85Å; Y119-Y139 HydrophobicContact CD2-CE1 3.85Å; Y119-Y139 HydrophobicContact CE2-CE1 4.36Å; Y119-Y139 HydrophobicContact CG-CD1 4.1Å; Y119-Y139 AromaticContact CG-CE1 3.76Å; Y119-Y139 HydrophobicContact CG-CE1 3.76Å; I120-Y139 CarbonylContact O-C 3.57Å; I120-Y139 WeakPolarHBondContact O-CA 3.47Å; K121-Y139 HydrophobicContact CB-CD1 4.19Å; K121-Y139 HydrophobicContact CB-CE1 4.28Å; Y139-H142 AromaticContact CD1-CE1 3.86Å; Y139-H142 AromaticContact CD1-NE2 3.54Å; Y139-H142 AromaticContact CG-CE1 3.81Å; Y139-H142 AromaticContact CG-NE2 3.9Å; Y139-G180 CarbonylContact O-C 3.57Å; Y139-G180 VanDerWaalsContact O-CA 3.24Å; Y139-G180 WeakPolarHBondContact O-CA 3.31Å; Y139-T181 PolarHBondContact N-OG1 2.84Å; Y139-T181 PolarHBondContact O-N 2.92Å
140	L	97.1	Very high	77.2	Confident	1 Å²	1	95.1 Å²	95.1	1%	0.005	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-18.8	175	-53.1	-168.2	0	0	0	111.7	Y112 I120 Q122 R190 T191 A192 Y217	Y112-L140 HydrophobicContact CD1-CD1 3.93Å; Y112-L140 HydrophobicContact CE1-CD1 4.12Å; I120-L140 HydrophobicContact CB-CB 4.09Å; I120-L140 HydrophobicContact CG2-CB 3.84Å; I120-L140 HydrophobicContact CG2-CD1 3.83Å; I120-L140 HydrophobicContact CG2-CG 4.02Å; I120-L140 PolarHBondContact O-N 3.07Å; Q122-L140 HydrophobicContact CB-CD1 4.34Å; Q122-L140 HydrophobicContact CB-CD2 4.14Å; Q122-L140 HydrophobicContact CB-CG 4.31Å; Q122-L140 HydrophobicContact CG-CD2 3.7Å; Q122-L140 HydrophobicContact CG-CG 4.37Å; L140-R190 CarbonylContact O-C 3.58Å; L140-T191 CarbonylContact O-C 3.59Å; L140-T191 VanDerWaalsContact O-C 3.24Å; L140-T191 VanDerWaalsContact O-CA 3.24Å; L140-T191 WeakPolarHBondContact O-CA 3.44Å; L140-T191 PolarHBondContact O-N 2.91Å; L140-A192 HydrophobicContact CB-CB 4.12Å; L140-A192 PolarHBondContact O-N 2.86Å; L140-Y217 HydrophobicContact CB-CD2 4.1Å; L140-Y217 HydrophobicContact CD1-CD1 3.98Å; L140-Y217 HydrophobicContact CD1-CD2 4.03Å; L140-Y217 HydrophobicContact CD1-CE1 4.38Å; L140-Y217 HydrophobicContact CD1-CE2 4.44Å; L140-Y217 HydrophobicContact CD1-CG 3.81Å; L140-Y217 HydrophobicContact CD2-CD2 3.87Å; L140-Y217 HydrophobicContact CD2-CE1 4.34Å; L140-Y217 HydrophobicContact CD2-CE2 3.55Å; L140-Y217 HydrophobicContact CD2-CG 4.41Å; L140-Y217 HydrophobicContact CG-CD2 4.23Å; L140-Y217 HydrophobicContact CG-CE2 4.4Å; L140-Y217 HydrophobicContact CG-CG 4.5Å
141	G	96.9	Very high	77.3	Confident	0 Å²	0	93 Å²	93	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	166.2	171.2	0	0	0	0	0	111.9	Y119 I120 V178	Y119-G141 CarbonylContact C-O 3.6Å; Y119-G141 VanDerWaalsContact CA-O 3.32Å; Y119-G141 WeakPolarHBondContact CA-O 3.14Å; I120-G141 PolarHBondContact N-O 3.38Å; G141-V178 CarbonylContact C-O 3.51Å; G141-V178 WeakPolarHBondContact CA-O 3.41Å
142	H	97.2	Very high	77.3	Confident	51 Å²	51	90.8 Å²	90.8	24%	0.236	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.6	177.2	-62.4	84.5	0	0	0	109.1	Y139 Y144 Y177 V178 D179	Y139-H142 AromaticContact CD1-CE1 3.86Å; Y139-H142 AromaticContact CD1-NE2 3.54Å; Y139-H142 AromaticContact CG-CE1 3.81Å; Y139-H142 AromaticContact CG-NE2 3.9Å; H142-Y144 HydrophobicContact CB-CE2 3.88Å; H142-Y177 WeakPolarHBondContact O-CA 3.37Å; H142-V178 PolarHBondContact N-O 3.23Å; H142-V178 PolarHBondContact O-N 2.77Å; H142-D179 PolarHBondContact CE1-O 3.37Å; H142-D179 PolarHBondContact ND1-O 2.99Å
143	Y	94.6	Very high	77.4	Confident	41 Å²	41	92.1 Å²	92.1	16%	0.161	44%	0.443	C	S	.	.			trans	-87.3	120.5	174.9	178	-101.4	0	0	0	109.6	E90 N117 R118 P145 I175	E90-Y143 PolarHBondContact OE1-OH 2.91Å; N117-Y143 HydrophobicContact CB-CD1 4.01Å; N117-Y143 HydrophobicContact CB-CE1 4.16Å; R118-Y143 PolarHBondContact O-N 2.69Å; Y143-P145 HydrophobicContact CE1-CB 3.95Å; Y143-P145 HydrophobicContact CE1-CG 4.23Å; Y143-I175 HydrophobicContact CD2-CG2 3.64Å; Y143-I175 HydrophobicContact CE2-CG2 3.57Å
144	Y	90.4	Very high	77.5	Confident	132 Å²	132	91.4 Å²	91.4	52%	0.518	44%	0.439	S	S	.	.			trans	-116	115.7	167.7	-59.2	-71.1	0	0	0	108.3	H142 D146 V178 D179	H142-Y144 HydrophobicContact CB-CE2 3.88Å; Y144-D146 PolarHBondContact O-N 2.78Å; Y144-D146 VanDerWaalsContact O-N 3.15Å; Y144-V178 HydrophobicContact CD2-CG2 3.69Å; Y144-V178 HydrophobicContact CE2-CG2 4.06Å; Y144-D179 HydrophobicContact CE2-CB 4.06Å; Y144-D179 VanDerWaalsContact CE2-OD2 3.26Å; Y144-D179 WeakPolarHBondContact CE2-OD2 3.27Å
145	P	82.4	Confident	77.5	Confident	91 Å²	91	90.7 Å²	90.7	59%	0.591	44%	0.435	S	S	*	.			trans	-65.1	118	173.5	24.8	-29.9	0	0	0	108.4	Y143 P147	Y143-P145 HydrophobicContact CE1-CB 3.95Å; Y143-P145 HydrophobicContact CE1-CG 4.23Å; P145-P147 WeakPolarHBondContact O-CD 3.25Å
146	D	72.1	Confident	76.8	Confident	90 Å²	90	94 Å²	94	48%	0.481	44%	0.444	S	S	.	.			trans	-92.5	106.2	174	-175.6	-0.7	0	0	0	110	Y144 K148 M149	Y144-D146 PolarHBondContact O-N 2.78Å; Y144-D146 VanDerWaalsContact O-N 3.15Å; D146-K148 PolarHBondContact O-N 3.04Å; D146-K148 WeakPolarHBondContact OD1-CB 3.37Å; D146-K148 PolarHBondContact OD1-N 2.81Å; D146-M149 HydrophobicContact CB-CB 4.03Å; D146-M149 PolarHBondContact O-N 2.71Å
147	P	66.7	Low	75.9	Confident	126 Å²	126	97.4 Å²	97.4	82%	0.818	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-13.6	178.1	28.2	-34.2	0	0	0	113.4	P145	P145-P147 WeakPolarHBondContact O-CD 3.25Å
148	K	59.9	Low	75.1	Confident	183 Å²	183	95.8 Å²	95.8	80%	0.796	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-13.7	-177.4	-63.5	-179.1	-178	174.7	0	113.3	D146 K150	D146-K148 PolarHBondContact O-N 3.04Å; D146-K148 WeakPolarHBondContact OD1-CB 3.37Å; D146-K148 PolarHBondContact OD1-N 2.81Å; K148-K150 PolarHBondContact O-N 2.79Å
149	M	57.8	Low	74.3	Confident	120 Å²	120	97.6 Å²	97.6	59%	0.591	48%	0.477	S	S	*	.			trans	-73.7	99.1	177	-147.3	179.8	149.1	0	0	108.4	D146 K151	D146-M149 HydrophobicContact CB-CB 4.03Å; D146-M149 PolarHBondContact O-N 2.71Å; M149-K151 VanDerWaalsContact C-N 3.31Å; M149-K151 PolarHBondContact O-N 2.83Å
150	K	53.5	Low	73.7	Confident	198 Å²	198	95.2 Å²	95.2	86%	0.861	47%	0.47	S	S	*	.			trans	-61.3	99.2	167.9	-75.6	-174.7	179.1	-179.1	0	107	K148 E152	K148-K150 PolarHBondContact O-N 2.79Å; K150-E152 PolarHBondContact O-N 2.69Å
151	K	61.3	Low	73.4	Confident	87 Å²	87	102.5 Å²	102.5	38%	0.378	50%	0.501	S	S	.	.			trans	-60.9	107	171.3	-63.4	-179.2	-176.9	179	0	106.7	E90 M149 R153 Y173	E90-K151 IonicContact OE1-NZ 2.61Å; E90-K151 PolarHBondContact OE1-NZ 3.3Å; E90-K151 IonicContact OE2-NZ 2.89Å; E90-K151 PolarHBondContact OE2-NZ 2.95Å; M149-K151 VanDerWaalsContact C-N 3.31Å; M149-K151 PolarHBondContact O-N 2.83Å; K151-R153 PolarHBondContact O-N 2.88Å; K151-Y173 PolarHBondContact NZ-OH 3.38Å; K151-Y173 VanDerWaalsContact NZ-OH 3.11Å
152	E	60.5	Low	73.1	Confident	161 Å²	161	106.5 Å²	106.5	75%	0.752	53%	0.526	S	S	*	.			trans	-59.7	107.8	165.8	-74.6	-174.8	176.7	0	0	106.2	K150	K150-E152 PolarHBondContact O-N 2.69Å
153	R	64.2	Low	72.5	Confident	167 Å²	167	104.9 Å²	104.9	63%	0.63	52%	0.519	S	S	*	.			trans	-69.6	131.5	-177.6	-67.3	-176.4	-175.3	176.3	-1	107.9	K151 S155	K151-R153 PolarHBondContact O-N 2.88Å; R153-S155 PolarHBondContact O-N 2.94Å
154	P	63	Low	71.9	Confident	27 Å²	27	107.4 Å²	107.4	18%	0.175	54%	0.539	C	S	.	.			trans	-55.1	130.5	172.1	-9.7	19.1	0	0	0	108.5	E89 N158 P160 L231 Y232	E89-P154 WeakPolarHBondContact OE1-CD 3.42Å; E89-P154 WeakPolarHBondContact OE1-CG 3.48Å; P154-N158 WeakPolarHBondContact CA-O 3.16Å; P154-P160 HydrophobicContact CB-CB 4.29Å; P154-P160 HydrophobicContact CB-CG 4.36Å; P154-L231 HydrophobicContact CB-CD1 4.16Å; P154-Y232 WeakPolarHBondContact CG-OH 3.33Å
155	S	63.3	Low	71.1	Confident	49 Å²	49	102.6 Å²	102.6	34%	0.343	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-132.8	171.8	175.2	65.2	0	0	0	0	108.3	R153 D157 N158 P159	R153-S155 PolarHBondContact O-N 2.94Å; S155-D157 PolarHBondContact O-N 3.18Å; S155-N158 PolarHBondContact N-O 3.21Å; S155-N158 CarbonylContact O-C 3.49Å; S155-N158 PolarHBondContact O-N 2.82Å; S155-N158 PolarHBondContact OG-N 3.17Å; S155-P159 WeakPolarHBondContact O-CA 3.49Å
156	K	60.2	Low	70.3	Confident	136 Å²	136	99.9 Å²	99.9	59%	0.591	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.2	175.2	-167.3	172.1	-178.8	170.5	0	112.1	N158	K156-N158 VanDerWaalsContact C-N 3.34Å
157	D	69.4	Low	69.6	Low	158 Å²	158	103.7 Å²	103.7	85%	0.845	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-19.6	178.3	-60	-34	0	0	0	112.8	S155	S155-D157 PolarHBondContact O-N 3.18Å
158	N	74	Confident	69.4	Low	81 Å²	81	101.6 Å²	101.6	43%	0.433	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-136.5	77.6	175.7	-161.1	12.9	0	0	0	109.6	P154 S155 K156	P154-N158 WeakPolarHBondContact CA-O 3.16Å; S155-N158 PolarHBondContact N-O 3.21Å; S155-N158 CarbonylContact O-C 3.49Å; S155-N158 PolarHBondContact O-N 2.82Å; S155-N158 PolarHBondContact OG-N 3.17Å; K156-N158 VanDerWaalsContact C-N 3.34Å
159	P	78.4	Confident	70.3	Confident	83 Å²	83	96 Å²	96	54%	0.539	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-64.7	153	-174.4	26.5	-34.5	0	0	0	111.3	S155	S155-P159 WeakPolarHBondContact O-CA 3.49Å
160	P	85.5	Confident	71.7	Confident	18 Å²	18	91.8 Å²	91.8	12%	0.117	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.7	176.4	20.8	-27.3	0	0	0	111	P154 P171 L231 Y232	P154-P160 HydrophobicContact CB-CB 4.29Å; P154-P160 HydrophobicContact CB-CG 4.36Å; P160-P171 HydrophobicContact CB-CB 4.17Å; P160-P171 HydrophobicContact CG-CB 3.73Å; P160-L231 HydrophobicContact CG-CB 4.26Å; P160-L231 WeakPolarHBondContact CG-O 3.43Å; P160-Y232 HydrophobicContact CB-CD1 4.2Å; P160-Y232 HydrophobicContact CB-CE1 3.55Å; P160-Y232 HydrophobicContact CG-CD1 4.16Å; P160-Y232 HydrophobicContact CG-CE1 3.9Å
161	K	89.8	Confident	73.5	Confident	154 Å²	154	83 Å²	83	67%	0.67	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-59.4	150.8	173.6	-66.2	179.1	-177.2	175.8	0	109.8	P171 Y172	K161-P171 CarbonylContact O-C 3.41Å; K161-P171 WeakPolarHBondContact O-CA 3.42Å; K161-Y172 HydrophobicContact CB-CD1 4.36Å; K161-Y172 HydrophobicContact CB-CE1 3.58Å; K161-Y172 HydrophobicContact CB-CE2 4.34Å; K161-Y172 WeakPolarHBondContact CB-OH 3.37Å; K161-Y172 WeakPolarHBondContact CD-OH 3.15Å; K161-Y172 WeakPolarHBondContact O-CD1 3.44Å; K161-Y172 PolarHBondContact O-N 2.95Å
162	T	90.8	Very high	75	Confident	84 Å²	84	80.9 Å²	80.9	52%	0.515	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.7	-179.8	56.5	0	0	0	0	112	Y170 P171	T162-Y170 CarbonylContact C-O 3.53Å; T162-Y170 WeakPolarHBondContact CA-O 3.46Å; T162-P171 HydrophobicContact CG2-CB 4.33Å; T162-P171 HydrophobicContact CG2-CG 4.43Å
163	V	85.6	Confident	76.6	Confident	17 Å²	17	74.3 Å²	74.3	10%	0.103	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135	167.6	61	0	0	0	0	108.9	L165 Y170 Y172 M195 I197 V220	V163-L165 HydrophobicContact CG1-CD1 4.46Å; V163-L165 HydrophobicContact CG2-CD2 4.31Å; V163-L165 HydrophobicContact CG2-CG 4.5Å; V163-Y170 PolarHBondContact N-O 3.32Å; V163-Y170 PolarHBondContact O-N 3.29Å; V163-Y172 HydrophobicContact CB-CD1 3.95Å; V163-Y172 HydrophobicContact CB-CE1 4.32Å; V163-Y172 HydrophobicContact CG1-CD1 4.07Å; V163-M195 HydrophobicContact CB-CE 3.95Å; V163-M195 HydrophobicContact CB-SD 4.17Å; V163-M195 HydrophobicContact CG1-CE 4.28Å; V163-M195 HydrophobicContact CG2-CE 3.59Å; V163-M195 HydrophobicContact CG2-SD 4.36Å; V163-I197 HydrophobicContact CG1-CG2 3.78Å; V163-V220 HydrophobicContact CG2-CG2 4.36Å
164	T	81.7	Confident	78	Confident	93 Å²	93	68 Å²	68	57%	0.571	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.8	177.1	-49.9	0	0	0	0	109.6	H168	T164-H168 WeakPolarHBondContact CA-O 3.36Å
165	L	73.2	Confident	79.4	Confident	31 Å²	31	67.2 Å²	67.2	16%	0.162	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.8	175.6	-58	167.2	0	0	0	108.3	V163 E167 H168 Y170 I197 V220	V163-L165 HydrophobicContact CG1-CD1 4.46Å; V163-L165 HydrophobicContact CG2-CD2 4.31Å; V163-L165 HydrophobicContact CG2-CG 4.5Å; L165-E167 PolarHBondContact O-N 3.1Å; L165-H168 PolarHBondContact N-O 2.87Å; L165-H168 PolarHBondContact O-N 3.04Å; L165-Y170 HydrophobicContact CB-CD2 4.05Å; L165-Y170 HydrophobicContact CB-CE2 3.9Å; L165-Y170 HydrophobicContact CD1-CD2 3.74Å; L165-Y170 HydrophobicContact CD1-CE2 4.06Å; L165-Y170 HydrophobicContact CD1-CG 4.43Å; L165-Y170 HydrophobicContact CG-CD2 4.11Å; L165-Y170 HydrophobicContact CG-CE2 4.4Å; L165-I197 HydrophobicContact CD1-CD1 3.57Å; L165-V220 HydrophobicContact CD1-CG1 3.65Å; L165-V220 HydrophobicContact CD2-CG1 4.33Å; L165-V220 HydrophobicContact CD2-CG2 3.92Å
166	G	65.8	Low	80.9	Confident	34 Å²	34	69.1 Å²	69.1	35%	0.351	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	-124.8	-170.1	0	0	0	0	0	111.4
167	E	56.3	Low	82.7	Confident	170 Å²	170	62.7 Å²	62.7	79%	0.794	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.2	179.9	-62.7	-178.1	168.8	0	0	113.6	L165	L165-E167 PolarHBondContact O-N 3.1Å
168	H	63	Low	83.9	Confident	83 Å²	83	57.7 Å²	57.7	38%	0.384	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145	-171.4	-56.6	101	0	0	0	111.9	T164 L165 Y170 Q234	T164-H168 WeakPolarHBondContact CA-O 3.36Å; L165-H168 PolarHBondContact N-O 2.87Å; L165-H168 PolarHBondContact O-N 3.04Å; H168-Y170 HydrophobicContact CB-CD2 4.4Å; H168-Y170 HydrophobicContact CB-CE2 3.57Å; H168-Q234 PolarHBondContact CD2-NE2 3.25Å
169	S	78.3	Confident	84.9	Confident	64 Å²	64	57.7 Å²	57.7	45%	0.448	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128	174.6	-64.9	0	0	0	0	110.6
170	Y	87.2	Confident	85.8	Confident	32 Å²	32	54 Å²	54	13%	0.125	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	-176.5	-64.6	-91.2	0	0	0	110.1	T162 V163 L165 H168 I197 Q234	T162-Y170 CarbonylContact C-O 3.53Å; T162-Y170 WeakPolarHBondContact CA-O 3.46Å; V163-Y170 PolarHBondContact N-O 3.32Å; V163-Y170 PolarHBondContact O-N 3.29Å; L165-Y170 HydrophobicContact CB-CD2 4.05Å; L165-Y170 HydrophobicContact CB-CE2 3.9Å; L165-Y170 HydrophobicContact CD1-CD2 3.74Å; L165-Y170 HydrophobicContact CD1-CE2 4.06Å; L165-Y170 HydrophobicContact CD1-CG 4.43Å; L165-Y170 HydrophobicContact CG-CD2 4.11Å; L165-Y170 HydrophobicContact CG-CE2 4.4Å; H168-Y170 HydrophobicContact CB-CD2 4.4Å; H168-Y170 HydrophobicContact CB-CE2 3.57Å; Y170-I197 HydrophobicContact CD1-CD1 4.19Å; Y170-I197 HydrophobicContact CG-CD1 4.1Å; Y170-Q234 HydrophobicContact CE1-CB 4.49Å
171	P	91.8	Very high	86.3	Confident	13 Å²	13	55.4 Å²	55.4	8%	0.084	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.3	168.3	-5.1	19	0	0	0	110.3	P160 K161 T162 Y232	P160-P171 HydrophobicContact CB-CB 4.17Å; P160-P171 HydrophobicContact CG-CB 3.73Å; K161-P171 CarbonylContact O-C 3.41Å; K161-P171 WeakPolarHBondContact O-CA 3.42Å; T162-P171 HydrophobicContact CG2-CB 4.33Å; T162-P171 HydrophobicContact CG2-CG 4.43Å; P171-Y232 HydrophobicContact CB-CD1 4.25Å
172	Y	93.3	Very high	86.7	Confident	43 Å²	43	52 Å²	52	17%	0.169	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.2	-174	72.1	-97.6	0	0	0	114.5	K161 V163 M195 Y196 Y232	K161-Y172 HydrophobicContact CB-CD1 4.36Å; K161-Y172 HydrophobicContact CB-CE1 3.58Å; K161-Y172 HydrophobicContact CB-CE2 4.34Å; K161-Y172 WeakPolarHBondContact CB-OH 3.37Å; K161-Y172 WeakPolarHBondContact CD-OH 3.15Å; K161-Y172 WeakPolarHBondContact O-CD1 3.44Å; K161-Y172 PolarHBondContact O-N 2.95Å; V163-Y172 HydrophobicContact CB-CD1 3.95Å; V163-Y172 HydrophobicContact CB-CE1 4.32Å; V163-Y172 HydrophobicContact CG1-CD1 4.07Å; Y172-M195 HydrophobicContact CD1-CB 4.5Å; Y172-M195 HydrophobicContact CD1-CG 4.45Å; Y172-M195 HydrophobicContact CD1-SD 3.94Å; Y172-M195 HydrophobicContact CD2-CB 3.68Å; Y172-M195 HydrophobicContact CD2-CG 3.54Å; Y172-M195 HydrophobicContact CD2-SD 4.01Å; Y172-M195 HydrophobicContact CE1-SD 3.77Å; Y172-M195 HydrophobicContact CE2-CB 4.35Å; Y172-M195 HydrophobicContact CE2-CG 3.7Å; Y172-M195 HydrophobicContact CE2-SD 3.87Å; Y172-M195 HydrophobicContact CG-CB 3.78Å; Y172-M195 HydrophobicContact CG-CG 3.96Å; Y172-M195 HydrophobicContact CG-SD 4.07Å; Y172-Y196 CarbonylContact C-O 3.5Å; Y172-Y196 WeakPolarHBondContact CA-O 3.4Å; Y172-Y196 WeakPolarHBondContact CB-O 3.39Å; Y172-Y232 WeakPolarHBondContact O-CE1 3.17Å
173	Y	93.9	Very high	86.8	Confident	23 Å²	23	48 Å²	48	9%	0.09	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118	165.9	-178.1	-111	0	0	0	109.6	E89 E90 L93 K151 I175 Y196	E89-Y173 HydrophobicContact CB-CD1 4.04Å; E89-Y173 HydrophobicContact CB-CD2 3.68Å; E89-Y173 HydrophobicContact CB-CE1 4.05Å; E89-Y173 HydrophobicContact CB-CE2 3.69Å; E89-Y173 HydrophobicContact CB-CG 3.85Å; E89-Y173 HydrophobicContact CG-CD2 3.62Å; E89-Y173 HydrophobicContact CG-CE2 3.89Å; E89-Y173 HydrophobicContact CG-CG 4.09Å; E90-Y173 HydrophobicContact CG-CE1 4.44Å; L93-Y173 HydrophobicContact CD1-CD1 3.89Å; L93-Y173 HydrophobicContact CD1-CE1 4.35Å; K151-Y173 PolarHBondContact NZ-OH 3.38Å; K151-Y173 VanDerWaalsContact NZ-OH 3.11Å; Y173-I175 HydrophobicContact CD1-CD1 4.26Å; Y173-I175 HydrophobicContact CD1-CG1 3.98Å; Y173-I175 HydrophobicContact CE1-CD1 3.78Å; Y173-I175 HydrophobicContact CE1-CG1 3.63Å; Y173-Y196 HydrophobicContact CD1-CD2 4.34Å; Y173-Y196 PolarHBondContact N-O 3.09Å; Y173-Y196 PolarHBondContact O-N 3.05Å
174	G	93.2	Very high	87.2	Confident	36 Å²	36	52.7 Å²	52.7	37%	0.371	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.4	-174.4	0	0	0	0	0	112.7	V194	G174-V194 CarbonylContact C-O 3.24Å; G174-V194 WeakPolarHBondContact CA-O 3.22Å
175	I	93.7	Very high	87.7	Confident	9 Å²	9	54.8 Å²	54.8	5%	0.046	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.5	171.1	-57.1	-173.7	0	0	0	109.4	Y143 Y173 Y177 V194 Y196	Y143-I175 HydrophobicContact CD2-CG2 3.64Å; Y143-I175 HydrophobicContact CE2-CG2 3.57Å; Y173-I175 HydrophobicContact CD1-CD1 4.26Å; Y173-I175 HydrophobicContact CD1-CG1 3.98Å; Y173-I175 HydrophobicContact CE1-CD1 3.78Å; Y173-I175 HydrophobicContact CE1-CG1 3.63Å; I175-Y177 HydrophobicContact CB-CE2 4.31Å; I175-Y177 HydrophobicContact CG2-CD2 4.22Å; I175-Y177 HydrophobicContact CG2-CE2 3.74Å; I175-V194 PolarHBondContact N-O 3.4Å; I175-V194 PolarHBondContact O-N 2.91Å; I175-Y196 HydrophobicContact CB-CE2 4.34Å; I175-Y196 HydrophobicContact CD1-CD2 4.25Å; I175-Y196 HydrophobicContact CD1-CE2 3.59Å; I175-Y196 HydrophobicContact CG1-CD2 4.3Å; I175-Y196 HydrophobicContact CG1-CE2 3.9Å
176	N	94.6	Very high	88.6	Confident	90 Å²	90	56 Å²	56	48%	0.481	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.7	178.5	-61.7	-28.7	0	0	0	111.1	T193	N176-T193 PolarHBondContact OD1-OG1 2.68Å
177	Y	96.5	Very high	89.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.9	171.9	-74.6	-110.5	0	0	0	107.5	L114 N117 I120 H142 I175 T191 A192 V194	L114-Y177 HydrophobicContact CD1-CE1 4.39Å; L114-Y177 HydrophobicContact CD1-CE2 4.4Å; N117-Y177 PolarHBondContact N-OH 3.05Å; I120-Y177 HydrophobicContact CD1-CD1 3.94Å; I120-Y177 HydrophobicContact CD1-CD2 3.69Å; I120-Y177 HydrophobicContact CD1-CE1 4.38Å; I120-Y177 HydrophobicContact CD1-CE2 4.19Å; I120-Y177 HydrophobicContact CD1-CG 3.57Å; I120-Y177 HydrophobicContact CG1-CD1 3.83Å; I120-Y177 HydrophobicContact CG1-CD2 4.39Å; I120-Y177 HydrophobicContact CG1-CE1 4.04Å; I120-Y177 HydrophobicContact CG1-CG 4.02Å; H142-Y177 WeakPolarHBondContact O-CA 3.37Å; I175-Y177 HydrophobicContact CB-CE2 4.31Å; I175-Y177 HydrophobicContact CG2-CD2 4.22Å; I175-Y177 HydrophobicContact CG2-CE2 3.74Å; Y177-T191 WeakPolarHBondContact O-CA 3.19Å; Y177-A192 PolarHBondContact N-O 3.06Å; Y177-A192 PolarHBondContact O-N 3.14Å; Y177-V194 HydrophobicContact CD2-CG2 3.79Å; Y177-V194 HydrophobicContact CE2-CB 4.32Å; Y177-V194 HydrophobicContact CE2-CG2 3.56Å
178	V	95.4	Very high	91.7	Very high	54 Å²	54	57.4 Å²	57.4	33%	0.327	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-127.8	174.7	-170.7	-61.2	0	0	0	0	111.2	G141 H142 Y144 G180 T191	G141-V178 CarbonylContact C-O 3.51Å; G141-V178 WeakPolarHBondContact CA-O 3.41Å; H142-V178 PolarHBondContact N-O 3.23Å; H142-V178 PolarHBondContact O-N 2.77Å; Y144-V178 HydrophobicContact CD2-CG2 3.69Å; Y144-V178 HydrophobicContact CE2-CG2 4.06Å; V178-G180 VanDerWaalsContact C-N 3.33Å; V178-G180 PolarHBondContact O-N 2.95Å; V178-T191 HydrophobicContact CG1-CG2 4.42Å
179	D	95.6	Very high	93.3	Very high	81 Å²	81	58.4 Å²	58.4	43%	0.433	31%	0.312	S	S	.	.			trans	54.3	45.2	178.9	-52.8	-29.2	0	0	0	113.6	H142 Y144	H142-D179 PolarHBondContact CE1-O 3.37Å; H142-D179 PolarHBondContact ND1-O 2.99Å; Y144-D179 HydrophobicContact CE2-CB 4.06Å; Y144-D179 VanDerWaalsContact CE2-OD2 3.26Å; Y144-D179 WeakPolarHBondContact CE2-OD2 3.27Å
180	G	96.9	Very high	94.2	Very high	4 Å²	4	55.9 Å²	55.9	4%	0.041	29%	0.293	C	S	.	.			trans	-69.7	-175.2	170.1	0	0	0	0	0	112.7	Y139 V178 H189 R190	Y139-G180 CarbonylContact O-C 3.57Å; Y139-G180 VanDerWaalsContact O-CA 3.24Å; Y139-G180 WeakPolarHBondContact O-CA 3.31Å; V178-G180 VanDerWaalsContact C-N 3.33Å; V178-G180 PolarHBondContact O-N 2.95Å; G180-H189 PolarHBondContact O-ND1 3.34Å; G180-R190 WeakPolarHBondContact CA-O 3.4Å; G180-R190 PolarHBondContact N-O 3.43Å
181	T	96.6	Very high	94.7	Very high	49 Å²	49	56.6 Å²	56.6	30%	0.301	30%	0.301	S	S	.	.	S	Bend	trans	-60.5	139.9	175	-55.6	0	0	0	0	110.4	F138 Y139 C183 R190	F138-T181 HydrophobicContact CD1-CG2 3.8Å; Y139-T181 PolarHBondContact N-OG1 2.84Å; Y139-T181 PolarHBondContact O-N 2.92Å; T181-C183 PolarHBondContact O-N 3.39Å; T181-R190 WeakPolarHBondContact O-CG 3.25Å; T181-R190 PolarHBondContact O-N 2.9Å; T181-R190 PolarHBondContact O-NH1 3.22Å
182	L	96.6	Very high	95	Very high	82 Å²	82	56.2 Å²	56.2	43%	0.429	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-55.5	129.3	178.3	-166	70.8	0	0	0	110.8	Q187 R190	L182-Q187 WeakPolarHBondContact CD1-O 3.44Å; L182-R190 VanDerWaalsContact C-NH1 3.32Å; L182-R190 PolarHBondContact O-NH1 3.37Å
183	C	94.5	Very high	95.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-80.3	128.4	177.1	-172.8	0	0	0	0	109.8	T181 L185 N186 Q187 E188 C215	T181-C183 PolarHBondContact O-N 3.39Å; C183-L185 VanDerWaalsContact C-N 3.34Å; C183-N186 WeakPolarHBondContact CB-OD1 2.91Å; C183-N186 PolarHBondContact SG-OD1 3.22Å; C183-Q187 WeakPolarHBondContact O-CA 3.09Å; C183-Q187 PolarHBondContact O-N 2.85Å; C183-E188 WeakPolarHBondContact CB-O 2.96Å; C183-E188 PolarHBondContact N-O 3.23Å; C183-C215 HydrophobicContact CB-CB 3.53Å; C183-C215 WeakPolarHBondContact CB-SG 3.26Å; C183-C215 WeakPolarHBondContact SG-CB 3.25Å; C183-C215 CovalentContact SG-SG 2.03Å; C183-C215 PolarHBondContact SG-SG 3.49Å
184	D	92.8	Very high	95.3	Very high	116 Å²	116	55.1 Å²	55.1	62%	0.62	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.5	178.8	54.1	-24.7	0	0	0	112.6	Q187	D184-Q187 PolarHBondContact O-NE2 3.36Å
185	L	92.1	Very high	95.4	Very high	136 Å²	136	53.4 Å²	53.4	71%	0.712	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-39.9	-174.9	-64.4	175.4	0	0	0	114.6	C183 T214	C183-L185 VanDerWaalsContact C-N 3.34Å; L185-T214 HydrophobicContact CB-CG2 3.88Å; L185-T214 HydrophobicContact CD1-CG2 3.65Å; L185-T214 HydrophobicContact CG-CG2 4.41Å
186	N	92.5	Very high	95.5	Very high	56 Å²	56	53 Å²	53	30%	0.299	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-3	-176	68.2	1.4	0	0	0	113.9	C183 E188	C183-N186 WeakPolarHBondContact CB-OD1 2.91Å; C183-N186 PolarHBondContact SG-OD1 3.22Å; N186-E188 PolarHBondContact ND2-OE2 3.21Å; N186-E188 PolarHBondContact O-N 2.98Å; N186-E188 PolarHBondContact OD1-N 3.16Å
187	Q	93	Very high	95.5	Very high	126 Å²	126	48.9 Å²	48.9	59%	0.589	26%	0.257	S	S	*	.	S	Bend	trans	59.6	21.6	-177.5	-55	-65	-51.9	0	0	113.9	L182 C183 D184	L182-Q187 WeakPolarHBondContact CD1-O 3.44Å; C183-Q187 WeakPolarHBondContact O-CA 3.09Å; C183-Q187 PolarHBondContact O-N 2.85Å; D184-Q187 PolarHBondContact O-NE2 3.36Å
188	E	94.6	Very high	95.2	Very high	109 Å²	109	49.2 Å²	49.2	51%	0.509	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-100.1	154.1	173	-61.4	-177.1	159.7	0	0	110.6	C183 N186	C183-E188 WeakPolarHBondContact CB-O 2.96Å; C183-E188 PolarHBondContact N-O 3.23Å; N186-E188 PolarHBondContact ND2-OE2 3.21Å; N186-E188 PolarHBondContact O-N 2.98Å; N186-E188 PolarHBondContact OD1-N 3.16Å
189	H	96.8	Very high	94.8	Very high	103 Å²	103	48.4 Å²	48.4	48%	0.477	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-69.7	135.1	171.8	-75.9	-90.3	0	0	0	110	G180	G180-H189 PolarHBondContact O-ND1 3.34Å
190	R	97.7	Very high	94.2	Very high	11 Å²	11	48.9 Å²	48.9	4%	0.042	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-57.1	143.8	173.1	-73.7	174	-179.6	82.5	-0.8	110.6	L140 G180 T181 L182 C215 Y217	L140-R190 CarbonylContact O-C 3.58Å; G180-R190 WeakPolarHBondContact CA-O 3.4Å; G180-R190 PolarHBondContact N-O 3.43Å; T181-R190 WeakPolarHBondContact O-CG 3.25Å; T181-R190 PolarHBondContact O-N 2.9Å; T181-R190 PolarHBondContact O-NH1 3.22Å; L182-R190 VanDerWaalsContact C-NH1 3.32Å; L182-R190 PolarHBondContact O-NH1 3.37Å; R190-C215 VanDerWaalsContact CA-O 3.3Å; R190-C215 WeakPolarHBondContact CA-O 3.35Å; R190-C215 HydrophobicContact CG-CB 3.68Å; R190-Y217 HydrophobicContact CB-CE2 4.31Å; R190-Y217 HydrophobicContact CG-CE2 4.04Å
191	T	97.3	Very high	93.1	Very high	48 Å²	48	49.6 Å²	49.6	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.2	175.6	57.8	0	0	0	0	110.1	L140 Y177 V178 C215 Q216 Y217	L140-T191 CarbonylContact O-C 3.59Å; L140-T191 VanDerWaalsContact O-C 3.24Å; L140-T191 VanDerWaalsContact O-CA 3.24Å; L140-T191 WeakPolarHBondContact O-CA 3.44Å; L140-T191 PolarHBondContact O-N 2.91Å; Y177-T191 WeakPolarHBondContact O-CA 3.19Å; V178-T191 HydrophobicContact CG1-CG2 4.42Å; T191-C215 PolarHBondContact N-O 3.42Å; T191-C215 VanDerWaalsContact N-O 3.14Å; T191-Q216 WeakPolarHBondContact O-CA 3.4Å; T191-Y217 PolarHBondContact O-N 3.39Å
192	A	97.3	Very high	92.2	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.4	-179.9	0	0	0	0	0	111.7	I120 L140 Y177 Y217	I120-A192 HydrophobicContact CD1-CB 3.64Å; L140-A192 HydrophobicContact CB-CB 4.12Å; L140-A192 PolarHBondContact O-N 2.86Å; Y177-A192 PolarHBondContact N-O 3.06Å; Y177-A192 PolarHBondContact O-N 3.14Å; A192-Y217 CarbonylContact C-O 3.48Å; A192-Y217 VanDerWaalsContact CA-O 3.25Å; A192-Y217 WeakPolarHBondContact CA-O 3.35Å
193	T	96.5	Very high	91.7	Very high	44 Å²	44	45.9 Å²	45.9	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.9	171.1	-55	0	0	0	0	109.7	N176 M195 Y217 Q218 M219	N176-T193 PolarHBondContact OD1-OG1 2.68Å; T193-M195 HydrophobicContact CG2-CG 4.28Å; T193-Y217 PolarHBondContact N-O 3.21Å; T193-Q218 WeakPolarHBondContact O-CA 3.44Å; T193-M219 PolarHBondContact O-N 3.4Å
194	V	96.8	Very high	91.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.1	171.8	-173.7	0	0	0	0	108.8	L114 I120 G174 I175 Y177 Y196 M219 F221	L114-V194 HydrophobicContact CD1-CG2 3.84Å; L114-V194 HydrophobicContact CD2-CG1 3.92Å; L114-V194 HydrophobicContact CD2-CG2 4.36Å; I120-V194 HydrophobicContact CD1-CG2 3.48Å; I120-V194 VanDerWaalsContact CD1-CG2 3.48Å; I120-V194 HydrophobicContact CG1-CG2 4.41Å; G174-V194 CarbonylContact C-O 3.24Å; G174-V194 WeakPolarHBondContact CA-O 3.22Å; I175-V194 PolarHBondContact N-O 3.4Å; I175-V194 PolarHBondContact O-N 2.91Å; Y177-V194 HydrophobicContact CD2-CG2 3.79Å; Y177-V194 HydrophobicContact CE2-CB 4.32Å; Y177-V194 HydrophobicContact CE2-CG2 3.56Å; V194-Y196 HydrophobicContact CB-CE2 4.02Å; V194-Y196 HydrophobicContact CG1-CD2 4.01Å; V194-Y196 HydrophobicContact CG1-CE1 4.24Å; V194-Y196 HydrophobicContact CG1-CE2 3.49Å; V194-Y196 VanDerWaalsContact CG1-CE2 3.49Å; V194-M219 CarbonylContact C-O 3.6Å; V194-M219 WeakPolarHBondContact CA-O 3.13Å; V194-M219 HydrophobicContact CG2-CB 4.5Å; V194-F221 HydrophobicContact CG1-CB 4.03Å
195	M	95.7	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	103.2	177.7	-61.8	-176.3	-56	0	0	108.9	V163 Y172 T193 Q218 M219 V220 F221	V163-M195 HydrophobicContact CB-CE 3.95Å; V163-M195 HydrophobicContact CB-SD 4.17Å; V163-M195 HydrophobicContact CG1-CE 4.28Å; V163-M195 HydrophobicContact CG2-CE 3.59Å; V163-M195 HydrophobicContact CG2-SD 4.36Å; Y172-M195 HydrophobicContact CD1-CB 4.5Å; Y172-M195 HydrophobicContact CD1-CG 4.45Å; Y172-M195 HydrophobicContact CD1-SD 3.94Å; Y172-M195 HydrophobicContact CD2-CB 3.68Å; Y172-M195 HydrophobicContact CD2-CG 3.54Å; Y172-M195 HydrophobicContact CD2-SD 4.01Å; Y172-M195 HydrophobicContact CE1-SD 3.77Å; Y172-M195 HydrophobicContact CE2-CB 4.35Å; Y172-M195 HydrophobicContact CE2-CG 3.7Å; Y172-M195 HydrophobicContact CE2-SD 3.87Å; Y172-M195 HydrophobicContact CG-CB 3.78Å; Y172-M195 HydrophobicContact CG-CG 3.96Å; Y172-M195 HydrophobicContact CG-SD 4.07Å; T193-M195 HydrophobicContact CG2-CG 4.28Å; M195-Q218 VanDerWaalsContact CE-CD 3.44Å; M195-Q218 HydrophobicContact CE-CG 3.37Å; M195-Q218 HydrophobicContact SD-CG 4.03Å; M195-Q218 PolarHBondContact SD-NE2 3.34Å; M195-M219 PolarHBondContact N-O 3.31Å; M195-V220 HydrophobicContact CE-CG2 3.51Å; M195-F221 PolarHBondContact O-N 2.03Å
196	Y	96.1	Very high	91.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.2	174.4	-64.2	-90.8	0	0	0	109.2	L93 L96 F97 H116 Y172 Y173 I175 V194 F221 T223 L226	L93-Y196 HydrophobicContact CD1-CD1 4.18Å; L93-Y196 HydrophobicContact CD1-CD2 4.08Å; L93-Y196 HydrophobicContact CD1-CE2 4.47Å; L93-Y196 HydrophobicContact CD1-CG 3.92Å; L93-Y196 HydrophobicContact CD2-CD1 4.1Å; L93-Y196 HydrophobicContact CD2-CG 4.41Å; L96-Y196 HydrophobicContact CD2-CD1 4.34Å; L96-Y196 HydrophobicContact CD2-CE1 4.05Å; F97-Y196 HydrophobicContact CE1-CE1 4.05Å; H116-Y196 AromaticContact CE1-CE1 3.82Å; H116-Y196 AromaticContact ND1-CE1 3.84Å; H116-Y196 AromaticContact ND1-CZ 3.77Å; H116-Y196 PolarHBondContact ND1-OH 3.23Å; Y172-Y196 CarbonylContact C-O 3.5Å; Y172-Y196 WeakPolarHBondContact CA-O 3.4Å; Y172-Y196 WeakPolarHBondContact CB-O 3.39Å; Y173-Y196 HydrophobicContact CD1-CD2 4.34Å; Y173-Y196 PolarHBondContact N-O 3.09Å; Y173-Y196 PolarHBondContact O-N 3.05Å; I175-Y196 HydrophobicContact CB-CE2 4.34Å; I175-Y196 HydrophobicContact CD1-CD2 4.25Å; I175-Y196 HydrophobicContact CD1-CE2 3.59Å; I175-Y196 HydrophobicContact CG1-CD2 4.3Å; I175-Y196 HydrophobicContact CG1-CE2 3.9Å; V194-Y196 HydrophobicContact CB-CE2 4.02Å; V194-Y196 HydrophobicContact CG1-CD2 4.01Å; V194-Y196 HydrophobicContact CG1-CE1 4.24Å; V194-Y196 HydrophobicContact CG1-CE2 3.49Å; V194-Y196 VanDerWaalsContact CG1-CE2 3.49Å; Y196-F221 CarbonylContact C-O 3.54Å; Y196-F221 VanDerWaalsContact CA-O 3.28Å; Y196-F221 WeakPolarHBondContact CA-O 3.4Å; Y196-F221 HydrophobicContact CD1-CB 3.94Å; Y196-F221 AromaticContact CD1-CD1 3.7Å; Y196-F221 HydrophobicContact CD1-CD1 3.7Å; Y196-F221 HydrophobicContact CD1-CG 4.07Å; Y196-F221 HydrophobicContact CE1-CB 4.12Å; Y196-F221 AromaticContact CE1-CD1 3.78Å; Y196-F221 HydrophobicContact CE1-CD1 3.78Å; Y196-F221 HydrophobicContact CE1-CE1 4.41Å; Y196-F221 AromaticContact CE1-CG 3.97Å; Y196-F221 HydrophobicContact CE1-CG 3.97Å; Y196-T223 HydrophobicContact CD1-CG2 4.37Å; Y196-L226 WeakPolarHBondContact O-CD2 3.4Å
197	I	93.7	Very high	90.8	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	147.4	175.9	61.4	170.3	0	0	0	110.2	V163 L165 Y170 H199 V220 F221 A222 T223	V163-I197 HydrophobicContact CG1-CG2 3.78Å; L165-I197 HydrophobicContact CD1-CD1 3.57Å; Y170-I197 HydrophobicContact CD1-CD1 4.19Å; Y170-I197 HydrophobicContact CG-CD1 4.1Å; I197-H199 PolarHBondContact O-N 3.31Å; I197-V220 HydrophobicContact CD1-CG1 3.76Å; I197-V220 HydrophobicContact CG1-CG1 4.14Å; I197-V220 HydrophobicContact CG2-CG1 4.43Å; I197-F221 PolarHBondContact N-O 2.92Å; I197-A222 HydrophobicContact CD1-CB 4.23Å; I197-A222 HydrophobicContact CG1-CB 4.01Å; I197-T223 PolarHBondContact O-N 3.03Å
198	C	90.9	Very high	90.6	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.3	168.9	160	0	0	0	0	109.6	T223 C227 Y232	C198-T223 WeakPolarHBondContact CA-O 3.43Å; C198-C227 VanDerWaalsContact C-SG 3.56Å; C198-C227 WeakPolarHBondContact CA-SG 3.1Å; C198-C227 HydrophobicContact CB-CB 4.03Å; C198-C227 WeakPolarHBondContact CB-SG 3.46Å; C198-C227 WeakPolarHBondContact SG-CA 3.43Å; C198-C227 WeakPolarHBondContact SG-CB 3.05Å; C198-C227 CovalentContact SG-SG 2.03Å; C198-C227 PolarHBondContact SG-SG 2.8Å; C198-Y232 VanDerWaalsContact CB-O 3.25Å; C198-Y232 WeakPolarHBondContact CB-O 3.38Å
199	H	87.4	Confident	90.3	Very high	38 Å²	38	28.9 Å²	28.9	18%	0.176	16%	0.156	C	C	.	.			trans	-140.6	109.2	164.9	-167.4	-71.5	0	0	0	109.6	I197 S201 V202 A222 T223 K224 C227	I197-H199 PolarHBondContact O-N 3.31Å; H199-S201 PolarHBondContact ND1-N 3.47Å; H199-S201 PolarHBondContact O-N 3.44Å; H199-S201 VanDerWaalsContact O-N 3.1Å; H199-V202 HydrophobicContact CB-CB 4.5Å; H199-V202 PolarHBondContact O-N 3.42Å; H199-A222 HydrophobicContact CB-CB 3.82Å; H199-T223 PolarHBondContact N-O 2.91Å; H199-T223 CarbonylContact O-C 3.56Å; H199-K224 VanDerWaalsContact O-CA 3.27Å; H199-K224 WeakPolarHBondContact O-CA 3.39Å; H199-K224 PolarHBondContact O-N 3.17Å; H199-C227 PolarHBondContact N-SG 2.94Å
200	E	82.5	Confident	90	Very high	90 Å²	90	26 Å²	26	42%	0.421	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.7	-171.5	-64.6	-179.1	158.6	0	0	112.6	C227 R236	E200-C227 HydrophobicContact CG-CB 4.29Å; E200-R236 IonicContact OE2-NH2 2.75Å; E200-R236 PolarHBondContact OE2-NH2 2.9Å
201	S	73.7	Confident	89.8	Confident	20 Å²	20	30.1 Å²	30.1	14%	0.14	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.4	-174	-31.6	0	0	0	0	115.6	H199 S479 D481 F483	H199-S201 PolarHBondContact ND1-N 3.47Å; H199-S201 PolarHBondContact O-N 3.44Å; H199-S201 VanDerWaalsContact O-N 3.1Å; S201-S479 WeakPolarHBondContact OG-CB 3.47Å; S201-S479 PolarHBondContact OG-OG 3.3Å; S201-D481 PolarHBondContact OG-OD2 3.12Å; S201-D481 VanDerWaalsContact OG-OD2 3.08Å; S201-F483 VanDerWaalsContact CB-CZ 3.45Å; S201-F483 WeakPolarHBondContact O-CZ 3.37Å
202	V	77.1	Confident	89.5	Confident	13 Å²	13	32.3 Å²	32.3	8%	0.079	18%	0.176	C	C	.	.			trans	-122.7	125.2	-171.1	176.3	0	0	0	0	110.5	H199 Q205 A222 T223 K224 F483	H199-V202 HydrophobicContact CB-CB 4.5Å; H199-V202 PolarHBondContact O-N 3.42Å; V202-Q205 HydrophobicContact CG1-CB 3.61Å; V202-A222 HydrophobicContact CG1-CB 4.49Å; V202-T223 CarbonylContact O-C 3.45Å; V202-T223 WeakPolarHBondContact O-CA 3.36Å; V202-K224 WeakPolarHBondContact O-CB 3.43Å; V202-K224 PolarHBondContact O-N 3.22Å; V202-F483 HydrophobicContact CG2-CD1 4.43Å; V202-F483 HydrophobicContact CG2-CE1 3.8Å
203	T	86.8	Confident	89.2	Confident	40 Å²	40	40.7 Å²	40.7	25%	0.245	21%	0.206	C	C	.	.	S	Bend	trans	-66.2	-48.3	175.9	-58.6	0	0	0	0	111.5	T223 K224 F225	T203-T223 WeakPolarHBondContact O-CB 3.35Å; T203-T223 PolarHBondContact O-OG1 2.84Å; T203-K224 PolarHBondContact OG1-NZ 2.95Å; T203-F225 HydrophobicContact CG2-CE2 3.64Å; T203-F225 HydrophobicContact CG2-CZ 4.08Å
204	G	88.1	Confident	89	Confident	11 Å²	11	42 Å²	42	11%	0.113	21%	0.214	C	C	.	.	S	Bend	trans	-170.4	121.5	177.8	0	0	0	0	0	111.7	Q100 N103 F221 A222	Q100-G204 PolarHBondContact OE1-O 3.47Å; N103-G204 PolarHBondContact ND2-O 2.97Å; G204-F221 VanDerWaalsContact CA-CE1 3.46Å; G204-A222 CarbonylContact C-O 3.57Å; G204-A222 VanDerWaalsContact CA-O 3.31Å; G204-A222 WeakPolarHBondContact CA-O 3.22Å
205	Q	87.5	Confident	88.9	Confident	80 Å²	80	42.2 Å²	42.2	37%	0.374	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	141.3	178.5	-169.4	179.2	22.8	0	0	111.7	V202 V207 F221 A222	V202-Q205 HydrophobicContact CG1-CB 3.61Å; Q205-V207 PolarHBondContact O-N 2.82Å; Q205-F221 CarbonylContact O-C 3.6Å; Q205-F221 WeakPolarHBondContact O-CA 3.48Å; Q205-A222 PolarHBondContact N-O 3.5Å; Q205-A222 PolarHBondContact O-N 3.02Å
206	I	90.6	Very high	88.9	Confident	4 Å²	4	45 Å²	45	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.9	166.4	-54.4	168.3	0	0	0	108.4	N103 R105 L114 V209 M219 F221	N103-I206 HydrophobicContact CB-CD1 4.36Å; N103-I206 HydrophobicContact CB-CG1 4.37Å; N103-I206 WeakPolarHBondContact O-CD1 3.29Å; R105-I206 HydrophobicContact CB-CB 3.9Å; R105-I206 HydrophobicContact CB-CD1 3.98Å; R105-I206 HydrophobicContact CB-CG2 4.13Å; R105-I206 VanDerWaalsContact CD-CG2 3.5Å; R105-I206 WeakPolarHBondContact CD-O 3.47Å; R105-I206 HydrophobicContact CG-CG2 4.49Å; R105-I206 PolarHBondContact NH1-O 2.89Å; L114-I206 HydrophobicContact CB-CD1 4.09Å; I206-V209 HydrophobicContact CG2-CG2 3.52Å; I206-M219 HydrophobicContact CD1-CE 4.1Å; I206-M219 HydrophobicContact CD1-SD 3.92Å; I206-M219 HydrophobicContact CG1-SD 3.95Å; I206-M219 HydrophobicContact CG2-CE 4.29Å; I206-M219 HydrophobicContact CG2-CG 3.74Å; I206-M219 HydrophobicContact CG2-SD 3.98Å; I206-F221 HydrophobicContact CG1-CD2 3.76Å; I206-F221 HydrophobicContact CG1-CE2 3.93Å
207	V	87.2	Confident	88.9	Confident	39 Å²	39	45.5 Å²	45.5	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-43.6	-177.5	178.3	0	0	0	0	111.4	R105 Q205 V220 A222	R105-V207 PolarHBondContact NH1-O 3.29Å; R105-V207 PolarHBondContact NH2-O 3.32Å; Q205-V207 PolarHBondContact O-N 2.82Å; V207-V220 HydrophobicContact CB-CB 4.31Å; V207-V220 HydrophobicContact CB-CG1 3.99Å; V207-V220 HydrophobicContact CG2-CG1 4.47Å; V207-V220 PolarHBondContact N-O 3.41Å; V207-A222 HydrophobicContact CG2-CB 3.41Å; V207-A222 VanDerWaalsContact CG2-CB 3.41Å
208	D	87.4	Confident	89	Confident	42 Å²	42	48 Å²	48	23%	0.225	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.8	-176.3	-174.8	55.1	0	0	0	110.5	S210 M219 V220	D208-S210 PolarHBondContact OD2-OG 3.46Å; D208-M219 WeakPolarHBondContact O-CA 3.43Å; D208-V220 HydrophobicContact CB-CB 4.08Å; D208-V220 HydrophobicContact CB-CG2 4.02Å; D208-V220 PolarHBondContact O-N 3.09Å
209	V	89.9	Confident	89.2	Confident	10 Å²	10	47.9 Å²	47.9	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	119.6	171.7	-172.2	0	0	0	0	108.1	Y112 I206 M219	Y112-V209 HydrophobicContact CD1-CG1 3.94Å; Y112-V209 HydrophobicContact CD2-CB 4Å; Y112-V209 HydrophobicContact CD2-CG1 3.96Å; Y112-V209 HydrophobicContact CD2-CG2 3.92Å; Y112-V209 HydrophobicContact CE1-CG1 3.91Å; Y112-V209 HydrophobicContact CE2-CB 4.01Å; Y112-V209 HydrophobicContact CE2-CG1 3.9Å; Y112-V209 HydrophobicContact CE2-CG2 4.43Å; Y112-V209 HydrophobicContact CG-CB 4.4Å; Y112-V209 HydrophobicContact CG-CG1 3.96Å; Y112-V209 HydrophobicContact CG-CG2 4.17Å; I206-V209 HydrophobicContact CG2-CG2 3.52Å; V209-M219 HydrophobicContact CG1-CE 4.37Å; V209-M219 HydrophobicContact CG2-CE 3.82Å; V209-M219 HydrophobicContact CG2-CG 4.21Å
210	S	90.7	Very high	89.5	Confident	42 Å²	42	46.1 Å²	46.1	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.4	-174.6	-74.1	0	0	0	0	110.8	D208 I212 Y217 Q218	D208-S210 PolarHBondContact OD2-OG 3.46Å; S210-I212 PolarHBondContact O-N 3.36Å; S210-Y217 CarbonylContact O-C 3.45Å; S210-Y217 WeakPolarHBondContact O-CA 3.45Å; S210-Q218 PolarHBondContact N-O 3.14Å; S210-Q218 PolarHBondContact O-N 3.17Å
211	E	93	Very high	90.1	Very high	98 Å²	98	41.9 Å²	41.9	46%	0.458	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	98.5	168	-172.9	170.4	165.4	0	0	108.8	R213 T214 C215 Q216 Y217	E211-R213 WeakPolarHBondContact CG-O 3.29Å; E211-T214 VanDerWaalsContact OE1-CA 3.27Å; E211-T214 WeakPolarHBondContact OE1-CA 3.44Å; E211-C215 PolarHBondContact OE1-N 3.1Å; E211-Q216 CarbonylContact C-O 3.58Å; E211-Y217 HydrophobicContact CB-CD1 3.87Å; E211-Y217 HydrophobicContact CB-CE1 3.78Å; E211-Y217 HydrophobicContact CG-CD1 4.1Å; E211-Y217 HydrophobicContact CG-CE1 3.76Å; E211-Y217 VanDerWaalsContact OE2-CE1 3.3Å; E211-Y217 WeakPolarHBondContact OE2-CE1 3.23Å; E211-Y217 PolarHBondContact OE2-OH 2.9Å
212	I	90.8	Very high	91	Very high	94 Å²	94	41 Å²	41	48%	0.482	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-26.3	-173.7	55.7	168.9	0	0	0	112.8	S210 Q216 Q218	S210-I212 PolarHBondContact O-N 3.36Å; I212-Q216 HydrophobicContact CG1-CB 4.2Å; I212-Q216 WeakPolarHBondContact CG1-O 3.28Å; I212-Q216 PolarHBondContact N-O 2.68Å; I212-Q218 HydrophobicContact CG2-CB 3.84Å; I212-Q218 VanDerWaalsContact CG2-OE1 3.31Å
213	R	91.6	Very high	91.7	Very high	180 Å²	180	40.4 Å²	40.4	68%	0.679	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.4	172	-58.5	-175.7	179.5	-169.7	-0.9	107.5	E211 C215 Q216	E211-R213 WeakPolarHBondContact CG-O 3.29Å; R213-C215 PolarHBondContact O-N 3.29Å; R213-Q216 HydrophobicContact CB-CB 4.12Å; R213-Q216 HydrophobicContact CB-CG 4.34Å; R213-Q216 PolarHBondContact N-O 3.35Å; R213-Q216 PolarHBondContact O-N 2.76Å; R213-Q216 VanDerWaalsContact O-O 3.1Å
214	T	92.4	Very high	91.9	Very high	70 Å²	70	42.3 Å²	42.3	43%	0.429	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	117.7	176.9	-55.7	0	0	0	0	111.1	L185 E211 Q216	L185-T214 HydrophobicContact CB-CG2 3.88Å; L185-T214 HydrophobicContact CD1-CG2 3.65Å; L185-T214 HydrophobicContact CG-CG2 4.41Å; E211-T214 VanDerWaalsContact OE1-CA 3.27Å; E211-T214 WeakPolarHBondContact OE1-CA 3.44Å; T214-Q216 PolarHBondContact O-N 3.45Å
215	C	93.7	Very high	92.1	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.034	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	19.4	-179.9	-69	0	0	0	0	115.8	C183 R190 T191 E211 R213	C183-C215 HydrophobicContact CB-CB 3.53Å; C183-C215 WeakPolarHBondContact CB-SG 3.26Å; C183-C215 WeakPolarHBondContact SG-CB 3.25Å; C183-C215 CovalentContact SG-SG 2.03Å; C183-C215 PolarHBondContact SG-SG 3.49Å; R190-C215 VanDerWaalsContact CA-O 3.3Å; R190-C215 WeakPolarHBondContact CA-O 3.35Å; R190-C215 HydrophobicContact CG-CB 3.68Å; T191-C215 PolarHBondContact N-O 3.42Å; T191-C215 VanDerWaalsContact N-O 3.14Å; E211-C215 PolarHBondContact OE1-N 3.1Å; R213-C215 PolarHBondContact O-N 3.29Å
216	Q	96.2	Very high	92.4	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.28	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.3	170.8	-59.1	-172.4	-5.1	0	0	110.2	T191 E211 I212 R213 T214	T191-Q216 WeakPolarHBondContact O-CA 3.4Å; E211-Q216 CarbonylContact C-O 3.58Å; I212-Q216 HydrophobicContact CG1-CB 4.2Å; I212-Q216 WeakPolarHBondContact CG1-O 3.28Å; I212-Q216 PolarHBondContact N-O 2.68Å; R213-Q216 HydrophobicContact CB-CB 4.12Å; R213-Q216 HydrophobicContact CB-CG 4.34Å; R213-Q216 PolarHBondContact N-O 3.35Å; R213-Q216 PolarHBondContact O-N 2.76Å; R213-Q216 VanDerWaalsContact O-O 3.1Å; T214-Q216 PolarHBondContact O-N 3.45Å
217	Y	96.2	Very high	92.4	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	152.4	-170.8	-57.4	-91.5	0	0	0	111.8	L140 R190 T191 A192 T193 S210 E211	L140-Y217 HydrophobicContact CB-CD2 4.1Å; L140-Y217 HydrophobicContact CD1-CD1 3.98Å; L140-Y217 HydrophobicContact CD1-CD2 4.03Å; L140-Y217 HydrophobicContact CD1-CE1 4.38Å; L140-Y217 HydrophobicContact CD1-CE2 4.44Å; L140-Y217 HydrophobicContact CD1-CG 3.81Å; L140-Y217 HydrophobicContact CD2-CD2 3.87Å; L140-Y217 HydrophobicContact CD2-CE1 4.34Å; L140-Y217 HydrophobicContact CD2-CE2 3.55Å; L140-Y217 HydrophobicContact CD2-CG 4.41Å; L140-Y217 HydrophobicContact CG-CD2 4.23Å; L140-Y217 HydrophobicContact CG-CE2 4.4Å; L140-Y217 HydrophobicContact CG-CG 4.5Å; R190-Y217 HydrophobicContact CB-CE2 4.31Å; R190-Y217 HydrophobicContact CG-CE2 4.04Å; T191-Y217 PolarHBondContact O-N 3.39Å; A192-Y217 CarbonylContact C-O 3.48Å; A192-Y217 VanDerWaalsContact CA-O 3.25Å; A192-Y217 WeakPolarHBondContact CA-O 3.35Å; T193-Y217 PolarHBondContact N-O 3.21Å; S210-Y217 CarbonylContact O-C 3.45Å; S210-Y217 WeakPolarHBondContact O-CA 3.45Å; E211-Y217 HydrophobicContact CB-CD1 3.87Å; E211-Y217 HydrophobicContact CB-CE1 3.78Å; E211-Y217 HydrophobicContact CG-CD1 4.1Å; E211-Y217 HydrophobicContact CG-CE1 3.76Å; E211-Y217 VanDerWaalsContact OE2-CE1 3.3Å; E211-Y217 WeakPolarHBondContact OE2-CE1 3.23Å; E211-Y217 PolarHBondContact OE2-OH 2.9Å
218	Q	95.2	Very high	92.4	Very high	55 Å²	55	42 Å²	42	26%	0.257	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128	174.2	-176	174.4	31.3	0	0	107.8	T193 M195 S210 I212	T193-Q218 WeakPolarHBondContact O-CA 3.44Å; M195-Q218 VanDerWaalsContact CE-CD 3.44Å; M195-Q218 HydrophobicContact CE-CG 3.37Å; M195-Q218 HydrophobicContact SD-CG 4.03Å; M195-Q218 PolarHBondContact SD-NE2 3.34Å; S210-Q218 PolarHBondContact N-O 3.14Å; S210-Q218 PolarHBondContact O-N 3.17Å; I212-Q218 HydrophobicContact CG2-CB 3.84Å; I212-Q218 VanDerWaalsContact CG2-OE1 3.31Å
219	M	94.9	Very high	92.5	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.02	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.8	-178.8	-179	176.8	-72.7	0	0	109.4	L114 I120 T193 V194 M195 I206 D208 V209	L114-M219 HydrophobicContact CB-CE 4.42Å; L114-M219 HydrophobicContact CB-SD 3.75Å; L114-M219 HydrophobicContact CD2-SD 3.84Å; L114-M219 HydrophobicContact CG-SD 4.27Å; I120-M219 HydrophobicContact CG2-CE 4.01Å; T193-M219 PolarHBondContact O-N 3.4Å; V194-M219 CarbonylContact C-O 3.6Å; V194-M219 WeakPolarHBondContact CA-O 3.13Å; V194-M219 HydrophobicContact CG2-CB 4.5Å; M195-M219 PolarHBondContact N-O 3.31Å; I206-M219 HydrophobicContact CD1-CE 4.1Å; I206-M219 HydrophobicContact CD1-SD 3.92Å; I206-M219 HydrophobicContact CG1-SD 3.95Å; I206-M219 HydrophobicContact CG2-CE 4.29Å; I206-M219 HydrophobicContact CG2-CG 3.74Å; I206-M219 HydrophobicContact CG2-SD 3.98Å; D208-M219 WeakPolarHBondContact O-CA 3.43Å; V209-M219 HydrophobicContact CG1-CE 4.37Å; V209-M219 HydrophobicContact CG2-CE 3.82Å; V209-M219 HydrophobicContact CG2-CG 4.21Å
220	V	94.4	Very high	92.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.4	174.7	178.7	0	0	0	0	108.4	V163 L165 M195 I197 V207 D208	V163-V220 HydrophobicContact CG2-CG2 4.36Å; L165-V220 HydrophobicContact CD1-CG1 3.65Å; L165-V220 HydrophobicContact CD2-CG1 4.33Å; L165-V220 HydrophobicContact CD2-CG2 3.92Å; M195-V220 HydrophobicContact CE-CG2 3.51Å; I197-V220 HydrophobicContact CD1-CG1 3.76Å; I197-V220 HydrophobicContact CG1-CG1 4.14Å; I197-V220 HydrophobicContact CG2-CG1 4.43Å; V207-V220 HydrophobicContact CB-CB 4.31Å; V207-V220 HydrophobicContact CB-CG1 3.99Å; V207-V220 HydrophobicContact CG2-CG1 4.47Å; V207-V220 PolarHBondContact N-O 3.41Å; D208-V220 HydrophobicContact CB-CB 4.08Å; D208-V220 HydrophobicContact CB-CG2 4.02Å; D208-V220 PolarHBondContact O-N 3.09Å
221	F	95	Very high	92.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.4	178.8	-163	-81.4	0	0	0	110.8	L96 N103 L114 H116 V194 M195 Y196 I197 G204 Q205 I206	L96-F221 HydrophobicContact CD1-CE1 3.98Å; L96-F221 HydrophobicContact CD1-CZ 4.23Å; L96-F221 HydrophobicContact CD2-CD1 4.12Å; L96-F221 HydrophobicContact CD2-CE1 3.49Å; L96-F221 VanDerWaalsContact CD2-CE1 3.49Å; L96-F221 HydrophobicContact CD2-CZ 4.22Å; L96-F221 HydrophobicContact CG-CE1 4.3Å; N103-F221 HydrophobicContact CB-CE2 3.86Å; N103-F221 HydrophobicContact CB-CZ 4.34Å; N103-F221 WeakPolarHBondContact OD1-CZ 3.4Å; L114-F221 HydrophobicContact CD2-CD2 3.5Å; L114-F221 VanDerWaalsContact CD2-CD2 3.5Å; L114-F221 HydrophobicContact CD2-CE2 3.89Å; L114-F221 HydrophobicContact CD2-CG 4.26Å; H116-F221 AromaticContact CE1-CE1 3.98Å; H116-F221 AromaticContact CE1-CE2 3.64Å; H116-F221 AromaticContact CE1-CZ 3.55Å; H116-F221 AromaticContact NE2-CE2 3.98Å; H116-F221 AromaticContact NE2-CZ 3.62Å; V194-F221 HydrophobicContact CG1-CB 4.03Å; M195-F221 PolarHBondContact O-N 2.03Å; Y196-F221 CarbonylContact C-O 3.54Å; Y196-F221 VanDerWaalsContact CA-O 3.28Å; Y196-F221 WeakPolarHBondContact CA-O 3.4Å; Y196-F221 HydrophobicContact CD1-CB 3.94Å; Y196-F221 AromaticContact CD1-CD1 3.7Å; Y196-F221 HydrophobicContact CD1-CD1 3.7Å; Y196-F221 HydrophobicContact CD1-CG 4.07Å; Y196-F221 HydrophobicContact CE1-CB 4.12Å; Y196-F221 AromaticContact CE1-CD1 3.78Å; Y196-F221 HydrophobicContact CE1-CD1 3.78Å; Y196-F221 HydrophobicContact CE1-CE1 4.41Å; Y196-F221 AromaticContact CE1-CG 3.97Å; Y196-F221 HydrophobicContact CE1-CG 3.97Å; I197-F221 PolarHBondContact N-O 2.92Å; G204-F221 VanDerWaalsContact CA-CE1 3.46Å; Q205-F221 CarbonylContact O-C 3.6Å; Q205-F221 WeakPolarHBondContact O-CA 3.48Å; I206-F221 HydrophobicContact CG1-CD2 3.76Å; I206-F221 HydrophobicContact CG1-CE2 3.93Å
222	A	92.3	Very high	92	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.3	178.2	0	0	0	0	0	111.6	I197 H199 V202 G204 Q205 V207	I197-A222 HydrophobicContact CD1-CB 4.23Å; I197-A222 HydrophobicContact CG1-CB 4.01Å; H199-A222 HydrophobicContact CB-CB 3.82Å; V202-A222 HydrophobicContact CG1-CB 4.49Å; G204-A222 CarbonylContact C-O 3.57Å; G204-A222 VanDerWaalsContact CA-O 3.31Å; G204-A222 WeakPolarHBondContact CA-O 3.22Å; Q205-A222 PolarHBondContact N-O 3.5Å; Q205-A222 PolarHBondContact O-N 3.02Å; V207-A222 HydrophobicContact CG2-CB 3.41Å; V207-A222 VanDerWaalsContact CG2-CB 3.41Å
223	T	91.4	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	141.6	176.7	-179.3	0	0	0	0	112.9	L93 L96 Y196 I197 C198 H199 V202 T203 F225 L226	L93-T223 HydrophobicContact CD2-CG2 3.69Å; L96-T223 HydrophobicContact CD2-CG2 4.26Å; Y196-T223 HydrophobicContact CD1-CG2 4.37Å; I197-T223 PolarHBondContact O-N 3.03Å; C198-T223 WeakPolarHBondContact CA-O 3.43Å; H199-T223 PolarHBondContact N-O 2.91Å; H199-T223 CarbonylContact O-C 3.56Å; V202-T223 CarbonylContact O-C 3.45Å; V202-T223 WeakPolarHBondContact O-CA 3.36Å; T203-T223 WeakPolarHBondContact O-CB 3.35Å; T203-T223 PolarHBondContact O-OG1 2.84Å; T223-F225 VanDerWaalsContact C-N 3.29Å; T223-F225 PolarHBondContact O-N 3.42Å; T223-F225 VanDerWaalsContact OG1-CD2 3.3Å; T223-F225 WeakPolarHBondContact OG1-CD2 3.38Å; T223-F225 PolarHBondContact OG1-N 2.99Å; T223-L226 HydrophobicContact CG2-CB 4.13Å
224	K	91.3	Very high	90.9	Very high	81 Å²	81	31.2 Å²	31.2	35%	0.352	16%	0.162	S	C	.	.	S	Bend	trans	-70.5	-24.8	175.2	72.2	-171.2	-176.2	-166.1	0	112.8	H199 V202 T203 L226 C227	H199-K224 VanDerWaalsContact O-CA 3.27Å; H199-K224 WeakPolarHBondContact O-CA 3.39Å; H199-K224 PolarHBondContact O-N 3.17Å; V202-K224 WeakPolarHBondContact O-CB 3.43Å; V202-K224 PolarHBondContact O-N 3.22Å; T203-K224 PolarHBondContact OG1-NZ 2.95Å; K224-L226 VanDerWaalsContact C-N 3.27Å; K224-L226 PolarHBondContact O-N 3.08Å; K224-C227 WeakPolarHBondContact O-CB 3.22Å; K224-C227 PolarHBondContact O-N 2.76Å
225	F	93.5	Very high	89.6	Confident	38 Å²	38	36.6 Å²	36.6	17%	0.167	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-66.6	-32.3	-173	-66.9	-70.3	0	0	0	112.2	L92 P95 L96 T203 T223 C227 S228	L92-F225 WeakPolarHBondContact O-CB 3.36Å; P95-F225 HydrophobicContact CB-CD1 3.85Å; P95-F225 HydrophobicContact CB-CE1 3.48Å; P95-F225 VanDerWaalsContact CB-CE1 3.48Å; P95-F225 HydrophobicContact CB-CE2 4.43Å; P95-F225 HydrophobicContact CB-CG 4.48Å; P95-F225 HydrophobicContact CB-CZ 3.8Å; P95-F225 HydrophobicContact CG-CD1 4.2Å; P95-F225 HydrophobicContact CG-CE1 4.24Å; L96-F225 HydrophobicContact CB-CD2 3.62Å; L96-F225 HydrophobicContact CB-CE2 3.87Å; L96-F225 HydrophobicContact CD1-CD2 4.49Å; L96-F225 HydrophobicContact CD1-CE2 4.41Å; T203-F225 HydrophobicContact CG2-CE2 3.64Å; T203-F225 HydrophobicContact CG2-CZ 4.08Å; T223-F225 VanDerWaalsContact C-N 3.29Å; T223-F225 PolarHBondContact O-N 3.42Å; T223-F225 VanDerWaalsContact OG1-CD2 3.3Å; T223-F225 WeakPolarHBondContact OG1-CD2 3.38Å; T223-F225 PolarHBondContact OG1-N 2.99Å; F225-C227 VanDerWaalsContact C-N 3.26Å; F225-C227 PolarHBondContact O-N 2.67Å; F225-S228 PolarHBondContact O-OG 2.81Å
226	L	92.4	Very high	87.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-71.1	-21.2	175.4	-163.2	65.1	0	0	0	112.8	E89 L93 Y196 T223 K224 S228 N229 Y232	E89-L226 HydrophobicContact CB-CD1 4.46Å; E89-L226 HydrophobicContact CG-CD1 4.45Å; L93-L226 HydrophobicContact CD2-CB 4.45Å; Y196-L226 WeakPolarHBondContact O-CD2 3.4Å; T223-L226 HydrophobicContact CG2-CB 4.13Å; K224-L226 VanDerWaalsContact C-N 3.27Å; K224-L226 PolarHBondContact O-N 3.08Å; L226-S228 PolarHBondContact O-N 2.82Å; L226-N229 PolarHBondContact O-N 2.87Å; L226-N229 VanDerWaalsContact O-N 3.17Å; L226-Y232 HydrophobicContact CD1-CD2 3.74Å; L226-Y232 HydrophobicContact CD1-CE2 3.97Å; L226-Y232 HydrophobicContact CD1-CG 4.08Å; L226-Y232 HydrophobicContact CD2-CD1 3.76Å; L226-Y232 HydrophobicContact CD2-CD2 4.24Å; L226-Y232 HydrophobicContact CD2-CE1 4.33Å; L226-Y232 HydrophobicContact CD2-CG 3.71Å; L226-Y232 HydrophobicContact CG-CD1 4.22Å; L226-Y232 HydrophobicContact CG-CD2 3.8Å; L226-Y232 HydrophobicContact CG-CE2 4.46Å; L226-Y232 HydrophobicContact CG-CG 3.65Å
227	C	90.1	Very high	85.8	Confident	10 Å²	10	45.7 Å²	45.7	7%	0.068	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-69.2	-13.2	-179.1	-58.7	0	0	0	0	114.4	C198 H199 E200 K224 F225 N229 K233	C198-C227 VanDerWaalsContact C-SG 3.56Å; C198-C227 WeakPolarHBondContact CA-SG 3.1Å; C198-C227 HydrophobicContact CB-CB 4.03Å; C198-C227 WeakPolarHBondContact CB-SG 3.46Å; C198-C227 WeakPolarHBondContact SG-CA 3.43Å; C198-C227 WeakPolarHBondContact SG-CB 3.05Å; C198-C227 CovalentContact SG-SG 2.03Å; C198-C227 PolarHBondContact SG-SG 2.8Å; H199-C227 PolarHBondContact N-SG 2.94Å; E200-C227 HydrophobicContact CG-CB 4.29Å; K224-C227 WeakPolarHBondContact O-CB 3.22Å; K224-C227 PolarHBondContact O-N 2.76Å; F225-C227 VanDerWaalsContact C-N 3.26Å; F225-C227 PolarHBondContact O-N 2.67Å; C227-N229 PolarHBondContact O-N 3.26Å; C227-K233 WeakPolarHBondContact O-CE 3.44Å
228	S	88.5	Confident	83.8	Confident	78 Å²	78	49 Å²	49	55%	0.545	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-62.5	-25.2	171.6	55.4	0	0	0	0	112.2	L92 F225 L226	L92-S228 VanDerWaalsContact CD2-OG 3.23Å; L92-S228 WeakPolarHBondContact CD2-OG 3.4Å; F225-S228 PolarHBondContact O-OG 2.81Å; L226-S228 PolarHBondContact O-N 2.82Å
229	N	88.5	Confident	82.2	Confident	18 Å²	18	49.6 Å²	49.6	10%	0.096	25%	0.245	C	C	.	.	S	Bend	trans	-94.4	116.5	173.9	-177.6	-18.7	0	0	0	110.4	L92 L226 C227 L231 Y232	L92-N229 HydrophobicContact CD1-CB 3.69Å; L226-N229 PolarHBondContact O-N 2.87Å; L226-N229 VanDerWaalsContact O-N 3.17Å; C227-N229 PolarHBondContact O-N 3.26Å; N229-L231 PolarHBondContact O-N 3.26Å; N229-L231 VanDerWaalsContact O-N 3.11Å; N229-L231 WeakPolarHBondContact OD1-CB 3.46Å; N229-L231 WeakPolarHBondContact OD1-CG 3.45Å; N229-L231 PolarHBondContact OD1-N 3.26Å; N229-Y232 HydrophobicContact CB-CD2 3.98Å; N229-Y232 PolarHBondContact O-N 2.89Å; N229-Y232 VanDerWaalsContact O-N 3.1Å
230	P	85.8	Confident	81.1	Confident	31 Å²	31	49.7 Å²	49.7	20%	0.201	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26.6	-179.8	-25.6	34.8	0	0	0	114.5	A81 Y232 K233	A81-P230 HydrophobicContact CB-CB 4.06Å; P230-Y232 PolarHBondContact O-N 2.83Å; P230-K233 PolarHBondContact O-N 3.41Å
231	L	87.1	Confident	80.1	Confident	46 Å²	46	51.3 Å²	51.3	24%	0.241	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.8	-23.6	179.4	-62.5	178.5	0	0	0	113.3	P154 P160 N229	P154-L231 HydrophobicContact CB-CD1 4.16Å; P160-L231 HydrophobicContact CG-CB 4.26Å; P160-L231 WeakPolarHBondContact CG-O 3.43Å; N229-L231 PolarHBondContact O-N 3.26Å; N229-L231 VanDerWaalsContact O-N 3.11Å; N229-L231 WeakPolarHBondContact OD1-CB 3.46Å; N229-L231 WeakPolarHBondContact OD1-CG 3.45Å; N229-L231 PolarHBondContact OD1-N 3.26Å
232	Y	90	Very high	79.7	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.012	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-98.9	-13.7	179.8	-69.1	-71.5	0	0	0	113.7	E89 P154 P160 P171 Y172 C198 L226 N229 P230	E89-Y232 HydrophobicContact CG-CE2 3.67Å; P154-Y232 WeakPolarHBondContact CG-OH 3.33Å; P160-Y232 HydrophobicContact CB-CD1 4.2Å; P160-Y232 HydrophobicContact CB-CE1 3.55Å; P160-Y232 HydrophobicContact CG-CD1 4.16Å; P160-Y232 HydrophobicContact CG-CE1 3.9Å; P171-Y232 HydrophobicContact CB-CD1 4.25Å; Y172-Y232 WeakPolarHBondContact O-CE1 3.17Å; C198-Y232 VanDerWaalsContact CB-O 3.25Å; C198-Y232 WeakPolarHBondContact CB-O 3.38Å; L226-Y232 HydrophobicContact CD1-CD2 3.74Å; L226-Y232 HydrophobicContact CD1-CE2 3.97Å; L226-Y232 HydrophobicContact CD1-CG 4.08Å; L226-Y232 HydrophobicContact CD2-CD1 3.76Å; L226-Y232 HydrophobicContact CD2-CD2 4.24Å; L226-Y232 HydrophobicContact CD2-CE1 4.33Å; L226-Y232 HydrophobicContact CD2-CG 3.71Å; L226-Y232 HydrophobicContact CG-CD1 4.22Å; L226-Y232 HydrophobicContact CG-CD2 3.8Å; L226-Y232 HydrophobicContact CG-CE2 4.46Å; L226-Y232 HydrophobicContact CG-CG 3.65Å; N229-Y232 HydrophobicContact CB-CD2 3.98Å; N229-Y232 PolarHBondContact O-N 2.89Å; N229-Y232 VanDerWaalsContact O-N 3.1Å; P230-Y232 PolarHBondContact O-N 2.83Å
233	K	86.4	Confident	79.5	Confident	74 Å²	74	53.6 Å²	53.6	32%	0.322	27%	0.27	S	S	.	.	S	Bend	trans	-62.1	140.7	175.8	-70.1	-173.2	-179.5	-178.3	0	110	C227 P230 K235	C227-K233 WeakPolarHBondContact O-CE 3.44Å; P230-K233 PolarHBondContact O-N 3.41Å; K233-K235 PolarHBondContact O-N 3.23Å
234	Q	73.2	Confident	79.5	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.318	27%	0.27	S	S	.	.			trans	-61.7	123	170.6	-176	-178.6	-12.9	0	0	108.3	H168 Y170 R236	H168-Q234 PolarHBondContact CD2-NE2 3.25Å; Y170-Q234 HydrophobicContact CE1-CB 4.49Å; Q234-R236 PolarHBondContact O-N 3.39Å
235	K	66.2	Low	79.5	Confident	183 Å²	183	50.8 Å²	50.8	80%	0.796	26%	0.258	S	S	*	.			trans	-61.5	107.3	174.7	-66	-175.5	179.4	-176.6	0	108	K233 V237	K233-K235 PolarHBondContact O-N 3.23Å; K235-V237 PolarHBondContact O-N 2.02Å
236	R	57.2	Low	79.4	Confident	156 Å²	156	49.3 Å²	49.3	59%	0.589	25%	0.253	S	S	*	.			trans	-71.6	125.2	172.3	-67.8	-175.5	-179.2	175.8	5.2	106.4	E200 Q234 H238	E200-R236 IonicContact OE2-NH2 2.75Å; E200-R236 PolarHBondContact OE2-NH2 2.9Å; Q234-R236 PolarHBondContact O-N 3.39Å; R236-H238 PolarHBondContact O-N 3.19Å
237	V	52.6	Low	79.3	Confident	100 Å²	100	52.3 Å²	52.3	61%	0.606	27%	0.266	S	S	*	.			trans	-68.3	101.5	173.3	-172.9	0	0	0	0	106.5	I36 K235 T239	I36-V237 HydrophobicContact CB-CG1 4.29Å; I36-V237 HydrophobicContact CD1-CG1 3.34Å; I36-V237 HydrophobicContact CG1-CG1 3.74Å; K235-V237 PolarHBondContact O-N 2.02Å; V237-T239 PolarHBondContact O-N 2.95Å
238	H	54.3	Low	79.1	Confident	81 Å²	81	58 Å²	58	38%	0.375	30%	0.295	S	S	.	.			trans	-67.4	117.5	-179	-129.2	81.1	0	0	0	108.2	R236	R236-H238 PolarHBondContact O-N 3.19Å
239	T	62.2	Low	78.9	Confident	66 Å²	66	60.2 Å²	60.2	41%	0.405	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.6	173.4	59	0	0	0	0	109.5	I36 V237 P241	I36-T239 HydrophobicContact CB-CG2 4.19Å; I36-T239 HydrophobicContact CG2-CG2 3.84Å; I36-T239 CarbonylContact O-C 3.55Å; I36-T239 WeakPolarHBondContact O-CA 3.41Å; V237-T239 PolarHBondContact O-N 2.95Å; T239-P241 WeakPolarHBondContact O-CD 3.37Å
240	N	70.2	Confident	79	Confident	6 Å²	6	60 Å²	60	3%	0.032	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112.6	178.1	-66.8	-82.4	0	0	0	108.8	I36 F37 D38 P70 F73 I242	I36-N240 PolarHBondContact O-N 3.29Å; I36-N240 PolarHBondContact O-ND2 3.5Å; F37-N240 VanDerWaalsContact CA-O 3.29Å; F37-N240 WeakPolarHBondContact CA-O 3.19Å; F37-N240 HydrophobicContact CD1-CB 3.52Å; F37-N240 HydrophobicContact CE1-CB 3.73Å; F37-N240 HydrophobicContact CG-CB 4.22Å; D38-N240 PolarHBondContact N-O 2.82Å; P70-N240 HydrophobicContact CG-CB 3.93Å; F73-N240 PolarHBondContact N-OD1 2.91Å; N240-I242 PolarHBondContact O-N 2.77Å
241	P	75.1	Confident	79.2	Confident	36 Å²	36	60.9 Å²	60.9	23%	0.234	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.1	-172.7	29.1	-33.8	0	0	0	112	D38 K40 T239 S243	D38-P241 CarbonylContact O-C 3.53Å; D38-P241 VanDerWaalsContact O-CA 3.3Å; D38-P241 WeakPolarHBondContact O-CA 3.29Å; K40-P241 HydrophobicContact CD-CB 3.72Å; K40-P241 HydrophobicContact CG-CB 4.03Å; T239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-S243 PolarHBondContact O-N 3.14Å
242	I	85.7	Confident	79.4	Confident	20 Å²	20	62.3 Å²	62.3	10%	0.103	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108	169.1	-58.4	175.5	0	0	0	108	F37 D38 F39 K40 C67 N240	F37-I242 HydrophobicContact CB-CD1 3.72Å; F37-I242 HydrophobicContact CB-CG1 4.09Å; F37-I242 HydrophobicContact CD1-CD1 3.89Å; F37-I242 HydrophobicContact CD1-CG1 3.8Å; F37-I242 HydrophobicContact CG-CD1 4.04Å; F37-I242 HydrophobicContact CG-CG1 4.34Å; D38-I242 PolarHBondContact O-N 3.42Å; F39-I242 WeakPolarHBondContact CA-O 3.44Å; F39-I242 HydrophobicContact CD1-CB 3.98Å; F39-I242 HydrophobicContact CD1-CG2 3.86Å; F39-I242 HydrophobicContact CE1-CB 4.1Å; F39-I242 HydrophobicContact CE1-CD1 4.24Å; F39-I242 HydrophobicContact CE1-CG2 3.65Å; F39-I242 HydrophobicContact CE2-CD1 4.39Å; F39-I242 HydrophobicContact CZ-CD1 4.06Å; F39-I242 HydrophobicContact CZ-CG2 4.47Å; K40-I242 PolarHBondContact N-O 3.3Å; C67-I242 HydrophobicContact CB-CG2 3.92Å; N240-I242 PolarHBondContact O-N 2.77Å
243	S	89	Confident	79.4	Confident	31 Å²	31	64.5 Å²	64.5	22%	0.217	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.1	-176.3	-66.1	0	0	0	0	110.6	K40 C67 V68 P241	K40-S243 CarbonylContact O-C 3.52Å; K40-S243 WeakPolarHBondContact O-CA 3.18Å; C67-S243 CarbonylContact C-O 3.59Å; C67-S243 WeakPolarHBondContact CA-O 3.24Å; V68-S243 PolarHBondContact N-O 3.25Å; V68-S243 PolarHBondContact O-N 2.86Å; P241-S243 PolarHBondContact O-N 3.14Å
244	C	90.9	Very high	79.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.6	-176.6	-67.4	0	0	0	0	112.4	F39 K40 W41 L42 C67	F39-C244 WeakPolarHBondContact CD1-SG 3.37Å; K40-C244 PolarHBondContact O-N 3.22Å; W41-C244 HydrophobicContact CD2-CB 4.26Å; W41-C244 HydrophobicContact CE3-CB 3.55Å; W41-C244 HydrophobicContact CH2-CB 4.3Å; W41-C244 HydrophobicContact CZ3-CB 3.56Å; L42-C244 PolarHBondContact N-O 3.26Å; C67-C244 HydrophobicContact CB-CB 4.16Å; C67-C244 WeakPolarHBondContact CB-SG 3.32Å; C67-C244 WeakPolarHBondContact SG-CB 3.38Å; C67-C244 CovalentContact SG-SG 2.03Å; C67-C244 PolarHBondContact SG-SG 2.68Å
245	H	90.6	Very high	80.6	Confident	21 Å²	21	61 Å²	61	10%	0.097	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.7	-179.6	-58	-80.4	0	0	0	110.8	L42 G43 S45 Y65 E66	L42-H245 VanDerWaalsContact CD1-CE1 3.42Å; L42-H245 WeakPolarHBondContact CD1-CE1 3.47Å; G43-H245 WeakPolarHBondContact O-CA 3.35Å; S45-H245 PolarHBondContact O-CE1 3.45Å; S45-H245 PolarHBondContact O-ND1 3.09Å; Y65-H245 CarbonylContact C-O 3.54Å; Y65-H245 WeakPolarHBondContact CA-O 3.39Å; Y65-H245 WeakPolarHBondContact CB-O 3.24Å; E66-H245 PolarHBondContact N-O 3.41Å; E66-H245 PolarHBondContact O-N 3.17Å
246	S	91.9	Very high	81.8	Confident	8 Å²	8	55.1 Å²	55.1	6%	0.056	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.6	177.1	48.5	0	0	0	0	111.8	G43 N44 S250 P251	G43-S246 PolarHBondContact O-N 3.26Å; G43-S246 PolarHBondContact O-OG 3.34Å; N44-S246 PolarHBondContact N-OG 2.86Å; N44-S246 PolarHBondContact OD1-O 2.85Å; N44-S246 PolarHBondContact OD1-OG 2.03Å; S246-S250 WeakPolarHBondContact CB-O 3.44Å; S246-P251 VanDerWaalsContact CB-O 3.22Å; S246-P251 WeakPolarHBondContact CB-O 3.5Å
247	K	89.7	Confident	83.4	Confident	63 Å²	63	50.2 Å²	50.2	27%	0.274	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.7	177	-64.1	-65.8	-179.2	165.2	0	110.8	D64 E66 S249 S250	D64-K247 HydrophobicContact CB-CB 4.04Å; D64-K247 PolarHBondContact O-N 2.71Å; E66-K247 HydrophobicContact CB-CG 4.13Å; E66-K247 WeakPolarHBondContact OE2-CE 3.44Å; E66-K247 IonicContact OE2-NZ 2.67Å; E66-K247 PolarHBondContact OE2-NZ 2.65Å; K247-S249 VanDerWaalsContact C-N 3.27Å; K247-S249 PolarHBondContact O-N 3.47Å; K247-S249 VanDerWaalsContact O-N 3.17Å; K247-S250 WeakPolarHBondContact O-CB 3.42Å; K247-S250 PolarHBondContact O-N 2.81Å; K247-S250 PolarHBondContact O-OG 3.32Å
248	N	85.9	Confident	85.2	Confident	128 Å²	128	48.9 Å²	48.9	68%	0.684	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	42.3	171.5	-58.5	-22.3	0	0	0	113.8	D64 S250	D64-N248 HydrophobicContact CB-CB 4.42Å; D64-N248 PolarHBondContact OD2-ND2 3.23Å; N248-S250 PolarHBondContact O-N 3.1Å
249	S	85.1	Confident	87	Confident	126 Å²	126	47.5 Å²	47.5	88%	0.881	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	18.7	-177.9	-51.7	0	0	0	0	115	K247	K247-S249 VanDerWaalsContact C-N 3.27Å; K247-S249 PolarHBondContact O-N 3.47Å; K247-S249 VanDerWaalsContact O-N 3.17Å
250	S	90.2	Very high	88.1	Confident	14 Å²	14	50.1 Å²	50.1	10%	0.098	31%	0.307	C	S	.	.			trans	-63.9	151.4	171.1	-57.1	0	0	0	0	110.8	E63 D64 S246 K247 N248	E63-S250 WeakPolarHBondContact CA-OG 3.42Å; D64-S250 PolarHBondContact N-OG 3.24Å; D64-S250 WeakPolarHBondContact O-CB 3.39Å; D64-S250 PolarHBondContact O-OG 2.97Å; S246-S250 WeakPolarHBondContact CB-O 3.44Å; K247-S250 WeakPolarHBondContact O-CB 3.42Å; K247-S250 PolarHBondContact O-N 2.81Å; K247-S250 PolarHBondContact O-OG 3.32Å; N248-S250 PolarHBondContact O-N 3.1Å
251	P	90.9	Very high	88.9	Confident	49 Å²	49	52.7 Å²	52.7	32%	0.318	32%	0.319	S	S	.	.			trans	-62	161.4	175.9	25.4	-31.5	0	0	0	110.9	E63 Y65 S246 K253	E63-P251 HydrophobicContact CG-CG 4.22Å; E63-P251 WeakPolarHBondContact OE1-CG 3.26Å; Y65-P251 VanDerWaalsContact CE1-O 3.23Å; Y65-P251 WeakPolarHBondContact CE1-O 3.32Å; Y65-P251 PolarHBondContact OH-O 2.83Å; Y65-P251 VanDerWaalsContact OH-O 3.12Å; S246-P251 VanDerWaalsContact CB-O 3.22Å; S246-P251 WeakPolarHBondContact CB-O 3.5Å; P251-K253 WeakPolarHBondContact CG-O 3.32Å; P251-K253 PolarHBondContact O-N 3.06Å; P251-K253 VanDerWaalsContact O-N 3.16Å
252	S	89.8	Confident	89.5	Confident	75 Å²	75	53 Å²	53	52%	0.524	32%	0.324	S	S	.	.	S	Bend	trans	-62.1	-24.8	-178.8	52.7	0	0	0	0	113.5
253	K	91.5	Very high	89.4	Confident	49 Å²	49	58.4 Å²	58.4	21%	0.213	35%	0.349	C	S	.	.	S	Bend	trans	-142.5	143.6	178	-175	171.5	-175.3	175.6	0	108.8	W41 Y65 P251 S255 L257 V258 E261	W41-K253 HydrophobicContact CB-CB 4.17Å; W41-K253 HydrophobicContact CB-CG 4.24Å; W41-K253 HydrophobicContact CD2-CG 4.15Å; W41-K253 HydrophobicContact CG-CB 4.16Å; W41-K253 HydrophobicContact CG-CD 4.22Å; W41-K253 HydrophobicContact CG-CG 3.77Å; Y65-K253 PolarHBondContact OH-O 3.47Å; P251-K253 WeakPolarHBondContact CG-O 3.32Å; P251-K253 PolarHBondContact O-N 3.06Å; P251-K253 VanDerWaalsContact O-N 3.16Å; K253-S255 PolarHBondContact O-N 3.22Å; K253-L257 HydrophobicContact CD-CD2 4.42Å; K253-L257 HydrophobicContact CG-CD2 4.2Å; K253-V258 HydrophobicContact CB-CG2 4.07Å; K253-V258 HydrophobicContact CD-CG2 3.97Å; K253-V258 HydrophobicContact CG-CG2 3.92Å; K253-E261 WeakPolarHBondContact CE-OE1 3.41Å; K253-E261 IonicContact NZ-OE1 2.67Å; K253-E261 PolarHBondContact NZ-OE1 3.47Å; K253-E261 IonicContact NZ-OE2 2.88Å; K253-E261 PolarHBondContact NZ-OE2 3.26Å
254	P	93	Very high	88.9	Confident	11 Å²	11	64 Å²	64	7%	0.071	37%	0.365	C	S	.	.			trans	-52.5	129.5	-178.7	-31	35.4	0	0	0	113.2	W41 T59 E63 Y65 A256 L257 V258	W41-P254 HydrophobicContact CE3-CG 4.3Å; W41-P254 HydrophobicContact CH2-CG 3.33Å; W41-P254 HydrophobicContact CZ2-CG 3.59Å; W41-P254 HydrophobicContact CZ3-CG 3.73Å; T59-P254 HydrophobicContact CG2-CB 3.98Å; T59-P254 HydrophobicContact CG2-CG 4.15Å; E63-P254 WeakPolarHBondContact OE2-CA 3.42Å; Y65-P254 HydrophobicContact CE2-CB 4.49Å; Y65-P254 HydrophobicContact CE2-CG 3.76Å; Y65-P254 VanDerWaalsContact OH-CA 3.22Å; Y65-P254 WeakPolarHBondContact OH-CA 3.48Å; Y65-P254 WeakPolarHBondContact OH-CD 3.41Å; P254-A256 VanDerWaalsContact C-N 3.27Å; P254-A256 PolarHBondContact O-N 2.96Å; P254-L257 HydrophobicContact CB-CB 3.96Å; P254-L257 WeakPolarHBondContact O-CB 3.28Å; P254-L257 PolarHBondContact O-N 2.9Å; P254-V258 PolarHBondContact O-N 2.84Å
255	S	91.8	Very high	88.1	Confident	57 Å²	57	70.7 Å²	70.7	40%	0.399	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-39.1	-175.1	-58.6	0	0	0	0	112	E63 K253 L257 V258 A259	E63-S255 WeakPolarHBondContact OE1-CB 2.96Å; E63-S255 PolarHBondContact OE1-N 2.81Å; E63-S255 VanDerWaalsContact OE1-N 3.08Å; E63-S255 PolarHBondContact OE1-OG 2.83Å; E63-S255 PolarHBondContact OE2-N 3.31Å; K253-S255 PolarHBondContact O-N 3.22Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.3Å; S255-V258 PolarHBondContact O-N 3.43Å; S255-A259 WeakPolarHBondContact O-CB 3.05Å; S255-A259 PolarHBondContact O-N 2.81Å
256	A	91	Very high	87.4	Confident	60 Å²	60	75.4 Å²	75.4	50%	0.496	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-36.3	176.4	0	0	0	0	0	112.7	P254 A259 M260	P254-A256 VanDerWaalsContact C-N 3.27Å; P254-A256 PolarHBondContact O-N 2.96Å; A256-A259 PolarHBondContact O-N 2.84Å; A256-M260 WeakPolarHBondContact O-CB 3.32Å; A256-M260 PolarHBondContact O-N 3.19Å
257	L	90.5	Very high	86.2	Confident	53 Å²	53	81.9 Å²	81.9	28%	0.277	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-41.6	176.9	-178.6	61.3	0	0	0	110.9	W41 K253 P254 S255 A259 M260 E261	W41-L257 HydrophobicContact CZ2-CD2 4.13Å; K253-L257 HydrophobicContact CD-CD2 4.42Å; K253-L257 HydrophobicContact CG-CD2 4.2Å; P254-L257 HydrophobicContact CB-CB 3.96Å; P254-L257 WeakPolarHBondContact O-CB 3.28Å; P254-L257 PolarHBondContact O-N 2.9Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.3Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.79Å; L257-M260 PolarHBondContact O-N 2.96Å; L257-E261 HydrophobicContact CD1-CG 4.44Å; L257-E261 WeakPolarHBondContact O-CB 2.95Å; L257-E261 WeakPolarHBondContact O-CG 3.19Å; L257-E261 PolarHBondContact O-N 3.35Å
258	V	91	Very high	84.8	Confident	72 Å²	72	84.3 Å²	84.3	44%	0.436	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-44.2	174.5	175.7	0	0	0	0	110.8	K253 P254 S255 E261 A262	K253-V258 HydrophobicContact CB-CG2 4.07Å; K253-V258 HydrophobicContact CD-CG2 3.97Å; K253-V258 HydrophobicContact CG-CG2 3.92Å; P254-V258 PolarHBondContact O-N 2.84Å; S255-V258 PolarHBondContact O-N 3.43Å; V258-E261 PolarHBondContact O-N 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.03Å; V258-A262 PolarHBondContact O-N 2.95Å
259	A	90.4	Very high	83.4	Confident	53 Å²	53	81.4 Å²	81.4	44%	0.438	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-46.7	176.5	0	0	0	0	0	111.9	S255 A256 L257 E261 A262 E263	S255-A259 WeakPolarHBondContact O-CB 3.05Å; S255-A259 PolarHBondContact O-N 2.81Å; A256-A259 PolarHBondContact O-N 2.84Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.79Å; A259-E261 PolarHBondContact O-N 3.38Å; A259-A262 WeakPolarHBondContact O-CB 3.12Å; A259-A262 PolarHBondContact O-N 3.03Å; A259-E263 WeakPolarHBondContact O-CG 3.21Å; A259-E263 PolarHBondContact O-N 3.02Å
260	M	86.5	Confident	81.9	Confident	121 Å²	121	82.2 Å²	82.2	60%	0.596	43%	0.428	S	S	*	.	H	α-helix	trans	-62.7	-41.2	177.6	-174.9	-171.3	-64.5	0	0	112.3	A256 L257 A262 E263 R264	A256-M260 WeakPolarHBondContact O-CB 3.32Å; A256-M260 PolarHBondContact O-N 3.19Å; L257-M260 PolarHBondContact O-N 2.96Å; M260-A262 VanDerWaalsContact C-N 3.33Å; M260-E263 PolarHBondContact O-N 3.46Å; M260-R264 WeakPolarHBondContact O-CB 3.37Å; M260-R264 PolarHBondContact O-N 2.77Å
261	E	87.3	Confident	80	Confident	60 Å²	60	84.2 Å²	84.2	28%	0.28	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-37.6	175.5	-75.9	176.8	174.4	0	0	112.1	K253 L257 V258 A259 R264 K265	K253-E261 WeakPolarHBondContact CE-OE1 3.41Å; K253-E261 IonicContact NZ-OE1 2.67Å; K253-E261 PolarHBondContact NZ-OE1 3.47Å; K253-E261 IonicContact NZ-OE2 2.88Å; K253-E261 PolarHBondContact NZ-OE2 3.26Å; L257-E261 HydrophobicContact CD1-CG 4.44Å; L257-E261 WeakPolarHBondContact O-CB 2.95Å; L257-E261 WeakPolarHBondContact O-CG 3.19Å; L257-E261 PolarHBondContact O-N 3.35Å; V258-E261 PolarHBondContact O-N 3.26Å; A259-E261 PolarHBondContact O-N 3.38Å; E261-R264 PolarHBondContact O-N 3.1Å; E261-K265 WeakPolarHBondContact O-CB 3.4Å; E261-K265 VanDerWaalsContact O-CG 3.31Å; E261-K265 WeakPolarHBondContact O-CG 3.3Å; E261-K265 PolarHBondContact O-N 3.15Å
262	A	86.5	Confident	77.9	Confident	42 Å²	42	89.4 Å²	89.4	35%	0.347	46%	0.46	S	S	.	.	H	α-helix	trans	-65.6	-39.7	173.1	0	0	0	0	0	111.4	V258 A259 M260 K265 K266	V258-A262 WeakPolarHBondContact O-CB 3.03Å; V258-A262 PolarHBondContact O-N 2.95Å; A259-A262 WeakPolarHBondContact O-CB 3.12Å; A259-A262 PolarHBondContact O-N 3.03Å; M260-A262 VanDerWaalsContact C-N 3.33Å; A262-K265 PolarHBondContact O-N 3.36Å; A262-K266 WeakPolarHBondContact O-CB 3.49Å; A262-K266 VanDerWaalsContact O-CG 3.26Å; A262-K266 WeakPolarHBondContact O-CG 3.39Å; A262-K266 PolarHBondContact O-N 3.44Å
263	E	84.3	Confident	76	Confident	134 Å²	134	87.4 Å²	87.4	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-65.2	-42.7	172.5	-75.4	-171.6	164.4	0	0	112.4	A259 M260 K265 K266 F267	A259-E263 WeakPolarHBondContact O-CG 3.21Å; A259-E263 PolarHBondContact O-N 3.02Å; M260-E263 PolarHBondContact O-N 3.46Å; E263-K265 PolarHBondContact O-N 3.41Å; E263-K266 CarbonylContact O-C 3.53Å; E263-K266 WeakPolarHBondContact O-CA 3.25Å; E263-K266 WeakPolarHBondContact O-CB 3.15Å; E263-K266 PolarHBondContact O-N 3.18Å; E263-K266 VanDerWaalsContact O-N 3.16Å; E263-F267 WeakPolarHBondContact O-CB 3.37Å; E263-F267 PolarHBondContact O-N 2.97Å
264	R	77.9	Confident	74.3	Confident	148 Å²	148	88.6 Å²	88.6	56%	0.558	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-44.5	175.2	-173.5	-177.6	71.2	151.6	-1.4	111.2	M260 E261 K266 F267 Q268	M260-R264 WeakPolarHBondContact O-CB 3.37Å; M260-R264 PolarHBondContact O-N 2.77Å; E261-R264 PolarHBondContact O-N 3.1Å; R264-K266 VanDerWaalsContact C-N 3.32Å; R264-F267 PolarHBondContact O-N 3.26Å; R264-F267 VanDerWaalsContact O-N 3.17Å; R264-Q268 WeakPolarHBondContact O-CG 3.4Å; R264-Q268 PolarHBondContact O-N 3.21Å
265	K	74.7	Confident	72.4	Confident	140 Å²	140	92.3 Å²	92.3	61%	0.609	47%	0.472	S	S	*	.	H	α-helix	trans	-60.5	-43.8	173.7	-75.8	178.1	-179.9	-175.3	0	110.9	E261 A262 E263 F267 Q268 S269	E261-K265 WeakPolarHBondContact O-CB 3.4Å; E261-K265 VanDerWaalsContact O-CG 3.31Å; E261-K265 WeakPolarHBondContact O-CG 3.3Å; E261-K265 PolarHBondContact O-N 3.15Å; A262-K265 PolarHBondContact O-N 3.36Å; E263-K265 PolarHBondContact O-N 3.41Å; K265-F267 VanDerWaalsContact C-N 3.32Å; K265-F267 PolarHBondContact O-N 3Å; K265-Q268 PolarHBondContact O-N 3.36Å; K265-S269 PolarHBondContact O-N 3.3Å; K265-S269 PolarHBondContact O-OG 3.39Å
266	K	75	Confident	70.4	Confident	121 Å²	121	90.3 Å²	90.3	53%	0.526	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-37.6	173.6	-75.8	173.5	-176	177.9	0	112	A262 E263 R264 S269 R270	A262-K266 WeakPolarHBondContact O-CB 3.49Å; A262-K266 VanDerWaalsContact O-CG 3.26Å; A262-K266 WeakPolarHBondContact O-CG 3.39Å; A262-K266 PolarHBondContact O-N 3.44Å; E263-K266 CarbonylContact O-C 3.53Å; E263-K266 WeakPolarHBondContact O-CA 3.25Å; E263-K266 WeakPolarHBondContact O-CB 3.15Å; E263-K266 PolarHBondContact O-N 3.18Å; E263-K266 VanDerWaalsContact O-N 3.16Å; R264-K266 VanDerWaalsContact C-N 3.32Å; K266-S269 WeakPolarHBondContact CA-OG 3.35Å; K266-S269 CarbonylContact O-C 3.48Å; K266-S269 PolarHBondContact O-N 3.4Å; K266-S269 PolarHBondContact O-OG 2.91Å; K266-R270 WeakPolarHBondContact O-CA 3.49Å; K266-R270 WeakPolarHBondContact O-CB 3.44Å; K266-R270 WeakPolarHBondContact O-CG 3.16Å; K266-R270 PolarHBondContact O-N 2.88Å
267	F	66.5	Low	68.6	Low	143 Å²	143	89.4 Å²	89.4	63%	0.627	45%	0.451	S	S	*	.	H	α-helix	trans	-75.1	-35.9	179	-158.1	-91	0	0	0	112	E263 R264 K265 S269 R270 S271	E263-F267 WeakPolarHBondContact O-CB 3.37Å; E263-F267 PolarHBondContact O-N 2.97Å; R264-F267 PolarHBondContact O-N 3.26Å; R264-F267 VanDerWaalsContact O-N 3.17Å; K265-F267 VanDerWaalsContact C-N 3.32Å; K265-F267 PolarHBondContact O-N 3Å; F267-S269 VanDerWaalsContact C-N 3.31Å; F267-S269 PolarHBondContact O-N 3.05Å; F267-R270 PolarHBondContact O-N 2.81Å; F267-S271 VanDerWaalsContact O-CB 3.25Å; F267-S271 WeakPolarHBondContact O-CB 3.4Å; F267-S271 PolarHBondContact O-N 3.29Å
268	Q	61.4	Low	66.8	Low	115 Å²	115	91.9 Å²	91.9	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-64.4	-37.4	171	-74	177	-20.9	0	0	111.3	R264 K265	R264-Q268 WeakPolarHBondContact O-CG 3.4Å; R264-Q268 PolarHBondContact O-N 3.21Å; K265-Q268 PolarHBondContact O-N 3.36Å
269	S	57.1	Low	64.9	Low	66 Å²	66	91.5 Å²	91.5	46%	0.462	46%	0.459	S	S	.	.	H	α-helix	trans	-75.3	-36.6	171.2	62.5	0	0	0	0	112.9	K265 K266 F267 F272 T273	K265-S269 PolarHBondContact O-N 3.3Å; K265-S269 PolarHBondContact O-OG 3.39Å; K266-S269 WeakPolarHBondContact CA-OG 3.35Å; K266-S269 CarbonylContact O-C 3.48Å; K266-S269 PolarHBondContact O-N 3.4Å; K266-S269 PolarHBondContact O-OG 2.91Å; F267-S269 VanDerWaalsContact C-N 3.31Å; F267-S269 PolarHBondContact O-N 3.05Å; S269-F272 WeakPolarHBondContact O-CB 3.22Å; S269-F272 PolarHBondContact O-N 2.99Å; S269-T273 WeakPolarHBondContact O-CG2 3.32Å; S269-T273 PolarHBondContact O-N 3.12Å
270	R	52.2	Low	63	Low	143 Å²	143	91 Å²	91	54%	0.54	45%	0.452	S	S	.	.	H	α-helix	trans	-76.8	-26.8	-178.5	-80.1	178.2	171.1	176.5	-4.3	112.9	K266 F267 F272 T273 D274	K266-R270 WeakPolarHBondContact O-CA 3.49Å; K266-R270 WeakPolarHBondContact O-CB 3.44Å; K266-R270 WeakPolarHBondContact O-CG 3.16Å; K266-R270 PolarHBondContact O-N 2.88Å; F267-R270 PolarHBondContact O-N 2.81Å; R270-F272 PolarHBondContact O-N 2.9Å; R270-F272 VanDerWaalsContact O-N 3.14Å; R270-T273 WeakPolarHBondContact CA-OG1 2.93Å; R270-T273 CarbonylContact O-C 3.55Å; R270-T273 PolarHBondContact O-N 3.2Å; R270-T273 PolarHBondContact O-OG1 2.89Å; R270-T273 VanDerWaalsContact O-OG1 3.13Å; R270-D274 WeakPolarHBondContact O-CB 3.37Å; R270-D274 PolarHBondContact O-N 2.84Å
271	S	50.1	Low	61.6	Low	56 Å²	56	91.2 Å²	91.2	39%	0.392	46%	0.456	S	S	.	.	H	α-helix	trans	-54.2	-34.2	169.5	172.3	0	0	0	0	110.3	F267 L275	F267-S271 VanDerWaalsContact O-CB 3.25Å; F267-S271 WeakPolarHBondContact O-CB 3.4Å; F267-S271 PolarHBondContact O-N 3.29Å; S271-L275 VanDerWaalsContact O-CB 3.26Å; S271-L275 WeakPolarHBondContact O-CB 3.05Å; S271-L275 WeakPolarHBondContact O-CD1 3.5Å; S271-L275 VanDerWaalsContact O-CG 3.29Å; S271-L275 WeakPolarHBondContact O-CG 3.4Å; S271-L275 PolarHBondContact O-N 2.82Å
272	F	48.8	Very low	60	Low	159 Å²	159	91.9 Å²	91.9	70%	0.697	47%	0.472	S	S	*	.	H	α-helix	trans	-77	-36.6	169.9	-77	-89	0	0	0	113.8	S269 R270 A276	S269-F272 WeakPolarHBondContact O-CB 3.22Å; S269-F272 PolarHBondContact O-N 2.99Å; R270-F272 PolarHBondContact O-N 2.9Å; R270-F272 VanDerWaalsContact O-N 3.14Å; F272-A276 PolarHBondContact O-N 2.9Å
273	T	49	Very low	58.3	Low	32 Å²	32	94.2 Å²	94.2	20%	0.196	47%	0.474	C	S	.	.	H	α-helix	trans	-74.7	-37.3	178.9	71.2	0	0	0	0	113.9	S269 R270 A276 A277 Y300	S269-T273 WeakPolarHBondContact O-CG2 3.32Å; S269-T273 PolarHBondContact O-N 3.12Å; R270-T273 WeakPolarHBondContact CA-OG1 2.93Å; R270-T273 CarbonylContact O-C 3.55Å; R270-T273 PolarHBondContact O-N 3.2Å; R270-T273 PolarHBondContact O-OG1 2.89Å; R270-T273 VanDerWaalsContact O-OG1 3.13Å; T273-A276 CarbonylContact O-C 3.53Å; T273-A276 WeakPolarHBondContact O-CA 3.37Å; T273-A276 WeakPolarHBondContact O-CB 3.46Å; T273-A276 PolarHBondContact O-N 2.86Å; T273-A277 WeakPolarHBondContact O-CB 3.46Å; T273-A277 PolarHBondContact O-N 2.82Å; T273-Y300 WeakPolarHBondContact CB-OH 3.03Å; T273-Y300 HydrophobicContact CG2-CE2 3.7Å; T273-Y300 WeakPolarHBondContact CG2-OH 3.23Å
274	D	54.8	Low	56.6	Low	75 Å²	75	96.4 Å²	96.4	40%	0.401	48%	0.481	S	S	.	.	H	α-helix	trans	-71.1	-36.5	174.3	-70.6	-15.5	0	0	0	109.4	R270 A276 A277 I278	R270-D274 WeakPolarHBondContact O-CB 3.37Å; R270-D274 PolarHBondContact O-N 2.84Å; D274-A276 VanDerWaalsContact C-N 3.31Å; D274-A276 PolarHBondContact O-N 3.46Å; D274-A277 PolarHBondContact O-N 3.04Å; D274-I278 WeakPolarHBondContact O-CB 3.28Å; D274-I278 VanDerWaalsContact O-CD1 3.3Å; D274-I278 WeakPolarHBondContact O-CD1 3.29Å; D274-I278 WeakPolarHBondContact O-CG1 3.48Å; D274-I278 PolarHBondContact O-N 2.82Å
275	L	53.1	Low	55.3	Low	88 Å²	88	94.6 Å²	94.6	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-56.9	-46.6	164.9	-91.8	166.4	0	0	0	110.7	S271 A277 I278 L279	S271-L275 VanDerWaalsContact O-CB 3.26Å; S271-L275 WeakPolarHBondContact O-CB 3.05Å; S271-L275 WeakPolarHBondContact O-CD1 3.5Å; S271-L275 VanDerWaalsContact O-CG 3.29Å; S271-L275 WeakPolarHBondContact O-CG 3.4Å; S271-L275 PolarHBondContact O-N 2.82Å; L275-A277 PolarHBondContact O-N 3.46Å; L275-I278 PolarHBondContact O-N 2.81Å; L275-L279 VanDerWaalsContact O-CB 3.27Å; L275-L279 WeakPolarHBondContact O-CB 3.16Å; L275-L279 VanDerWaalsContact O-CD1 3.28Å; L275-L279 WeakPolarHBondContact O-CD1 3.18Å; L275-L279 WeakPolarHBondContact O-CG 3.33Å; L275-L279 PolarHBondContact O-N 2.87Å
276	A	49.6	Very low	54.3	Low	16 Å²	16	95.4 Å²	95.4	13%	0.132	50%	0.495	C	S	.	.	H	α-helix	trans	-63.1	-38.8	176.5	0	0	0	0	0	113.2	F272 T273 D274 L279 S280 I289 Y300	F272-A276 PolarHBondContact O-N 2.9Å; T273-A276 CarbonylContact O-C 3.53Å; T273-A276 WeakPolarHBondContact O-CA 3.37Å; T273-A276 WeakPolarHBondContact O-CB 3.46Å; T273-A276 PolarHBondContact O-N 2.86Å; D274-A276 VanDerWaalsContact C-N 3.31Å; D274-A276 PolarHBondContact O-N 3.46Å; A276-L279 PolarHBondContact O-N 3.22Å; A276-S280 PolarHBondContact O-N 3.04Å; A276-S280 PolarHBondContact O-OG 2.83Å; A276-I289 WeakPolarHBondContact O-CD1 3.25Å; A276-Y300 HydrophobicContact CB-CD1 4.47Å
277	A	53.1	Low	53.2	Low	40 Å²	40	91.9 Å²	91.9	33%	0.331	48%	0.484	S	S	.	.	H	α-helix	trans	-73.7	-36.2	178	0	0	0	0	0	113.1	T273 D274 L275 L279 S280 N281	T273-A277 WeakPolarHBondContact O-CB 3.46Å; T273-A277 PolarHBondContact O-N 2.82Å; D274-A277 PolarHBondContact O-N 3.04Å; L275-A277 PolarHBondContact O-N 3.46Å; A277-L279 VanDerWaalsContact C-N 3.33Å; A277-S280 VanDerWaalsContact CA-OG 3.29Å; A277-S280 WeakPolarHBondContact CA-OG 3.37Å; A277-S280 PolarHBondContact O-N 2.84Å; A277-S280 PolarHBondContact O-OG 2.83Å; A277-N281 WeakPolarHBondContact O-CB 3.44Å; A277-N281 PolarHBondContact O-N 3.28Å
278	I	53.5	Low	52.5	Low	105 Å²	105	91.5 Å²	91.5	54%	0.538	48%	0.482	S	S	.	.	H	α-helix	trans	-65.4	-41.2	171	-70.4	163.4	0	0	0	109.2	D274 L275 N281 A282	D274-I278 WeakPolarHBondContact O-CB 3.28Å; D274-I278 VanDerWaalsContact O-CD1 3.3Å; D274-I278 WeakPolarHBondContact O-CD1 3.29Å; D274-I278 WeakPolarHBondContact O-CG1 3.48Å; D274-I278 PolarHBondContact O-N 2.82Å; L275-I278 PolarHBondContact O-N 2.81Å; I278-N281 PolarHBondContact O-N 3.06Å; I278-A282 WeakPolarHBondContact O-CB 3.11Å; I278-A282 PolarHBondContact O-N 3.41Å
279	L	50.3	Low	52	Low	64 Å²	64	88.3 Å²	88.3	34%	0.335	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-46.9	174.1	-70.4	162.6	0	0	0	110.3	L275 A276 A277 N281 A282 F283	L275-L279 VanDerWaalsContact O-CB 3.27Å; L275-L279 WeakPolarHBondContact O-CB 3.16Å; L275-L279 VanDerWaalsContact O-CD1 3.28Å; L275-L279 WeakPolarHBondContact O-CD1 3.18Å; L275-L279 WeakPolarHBondContact O-CG 3.33Å; L275-L279 PolarHBondContact O-N 2.87Å; A276-L279 PolarHBondContact O-N 3.22Å; A277-L279 VanDerWaalsContact C-N 3.33Å; L279-N281 VanDerWaalsContact C-N 3.34Å; L279-N281 PolarHBondContact O-N 2.79Å; L279-A282 PolarHBondContact O-N 2.82Å; L279-F283 HydrophobicContact CB-CD2 4.35Å; L279-F283 HydrophobicContact CB-CE2 4.44Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; L279-F283 WeakPolarHBondContact O-CB 3.38Å; L279-F283 WeakPolarHBondContact O-CD2 3.15Å; L279-F283 PolarHBondContact O-N 3.26Å
280	S	50.8	Low	52	Low	44 Å²	44	87.1 Å²	87.1	31%	0.308	46%	0.46	S	S	.	.	H	α-helix	trans	-61.4	-38.4	176.2	53.9	0	0	0	0	113.7	A276 A277	A276-S280 PolarHBondContact O-N 3.04Å; A276-S280 PolarHBondContact O-OG 2.83Å; A277-S280 VanDerWaalsContact CA-OG 3.29Å; A277-S280 WeakPolarHBondContact CA-OG 3.37Å; A277-S280 PolarHBondContact O-N 2.84Å; A277-S280 PolarHBondContact O-OG 2.83Å
281	N	57.9	Low	52.1	Low	124 Å²	124	82.8 Å²	82.8	66%	0.663	46%	0.455	S	S	*	.	H	α-helix	trans	-76.4	-27.6	178.9	-74.6	-14.2	0	0	0	113	A277 I278 L279	A277-N281 WeakPolarHBondContact O-CB 3.44Å; A277-N281 PolarHBondContact O-N 3.28Å; I278-N281 PolarHBondContact O-N 3.06Å; L279-N281 VanDerWaalsContact C-N 3.34Å; L279-N281 PolarHBondContact O-N 2.79Å
282	A	52.9	Low	52.5	Low	75 Å²	75	86 Å²	86	62%	0.62	46%	0.462	S	S	*	.	H	α-helix	trans	-75.6	-32.1	173.4	0	0	0	0	0	111.8	I278 L279 K284	I278-A282 WeakPolarHBondContact O-CB 3.11Å; I278-A282 PolarHBondContact O-N 3.41Å; L279-A282 PolarHBondContact O-N 2.82Å; A282-K284 VanDerWaalsContact C-N 3.33Å; A282-K284 PolarHBondContact O-N 3.1Å
283	F	50.6	Low	52.8	Low	90 Å²	90	85.9 Å²	85.9	40%	0.395	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	37.6	179.2	-70.4	-67.8	0	0	0	113.9	L279 S285 K286 V287	L279-F283 HydrophobicContact CB-CD2 4.35Å; L279-F283 HydrophobicContact CB-CE2 4.44Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; L279-F283 WeakPolarHBondContact O-CB 3.38Å; L279-F283 WeakPolarHBondContact O-CD2 3.15Å; L279-F283 PolarHBondContact O-N 3.26Å; F283-S285 PolarHBondContact O-N 3.28Å; F283-K286 PolarHBondContact O-N 3.17Å; F283-K286 VanDerWaalsContact O-N 3.17Å; F283-V287 HydrophobicContact CB-CB 4.32Å; F283-V287 HydrophobicContact CB-CG2 4.12Å; F283-V287 HydrophobicContact CG-CG2 4.33Å
284	K	48.9	Very low	52.9	Low	180 Å²	180	86 Å²	86	78%	0.783	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.1	110.8	168.4	-78.5	179	179.1	-179.2	0	109.6	A282	A282-K284 VanDerWaalsContact C-N 3.33Å; A282-K284 PolarHBondContact O-N 3.1Å
285	S	51.8	Low	52.7	Low	111 Å²	111	92.5 Å²	92.5	78%	0.776	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-5.8	174.3	77.5	0	0	0	0	121.5	F283	F283-S285 PolarHBondContact O-N 3.28Å
286	K	53.3	Low	52.6	Low	156 Å²	156	96.1 Å²	96.1	68%	0.678	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-8.3	-172.4	-73.3	-172.3	178.7	-179	0	117.9	F283 A305	F283-K286 PolarHBondContact O-N 3.17Å; F283-K286 VanDerWaalsContact O-N 3.17Å; K286-A305 PolarHBondContact O-N 3.38Å
287	V	51.3	Low	51.9	Low	48 Å²	48	99 Å²	99	29%	0.291	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	122.6	-166.4	-177.4	0	0	0	0	110.7	F283 I289 V302	F283-V287 HydrophobicContact CB-CB 4.32Å; F283-V287 HydrophobicContact CB-CG2 4.12Å; F283-V287 HydrophobicContact CG-CG2 4.33Å; V287-I289 HydrophobicContact CG1-CG1 4.04Å; V287-V302 HydrophobicContact CG1-CB 4.5Å; V287-V302 HydrophobicContact CG1-CG1 3.15Å
288	K	51.2	Low	51.4	Low	134 Å²	134	99.7 Å²	99.7	58%	0.583	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.8	173	-170.2	173	-173	170.3	0	109	N303	K288-N303 PolarHBondContact N-O 3.32Å; K288-N303 PolarHBondContact O-N 3.4Å
289	I	52.6	Low	51.5	Low	49 Å²	49	100.2 Å²	100.2	25%	0.251	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.3	176.3	-50.5	-173.3	0	0	0	108.4	A276 V287 Y300 Q301 V302	A276-I289 WeakPolarHBondContact O-CD1 3.25Å; V287-I289 HydrophobicContact CG1-CG1 4.04Å; I289-Y300 HydrophobicContact CG2-CD1 4Å; I289-Q301 CarbonylContact C-O 3.48Å; I289-Q301 WeakPolarHBondContact CA-O 3.4Å; I289-V302 HydrophobicContact CG1-CG2 4.28Å; I289-V302 HydrophobicContact CG2-CG2 4.39Å
290	S	55.5	Low	51.6	Low	41 Å²	41	102.1 Å²	102.1	29%	0.287	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.9	173.4	64.6	0	0	0	0	111.1	Y300 Q301	S290-Y300 CarbonylContact O-C 3.51Å; S290-Y300 WeakPolarHBondContact O-CA 3.32Å; S290-Q301 PolarHBondContact N-O 2.92Å; S290-Q301 PolarHBondContact O-N 2.93Å
291	A	56.1	Low	51.9	Low	52 Å²	52	103.7 Å²	103.7	43%	0.43	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.2	174.2	0	0	0	0	0	109.9	V298 F299 Y300	A291-V298 HydrophobicContact CB-CG1 3.89Å; A291-F299 CarbonylContact C-O 3.48Å; A291-F299 WeakPolarHBondContact CA-O 3.24Å; A291-Y300 HydrophobicContact CB-CD1 4.27Å; A291-Y300 HydrophobicContact CB-CE1 4.06Å
292	K	58	Low	51.7	Low	124 Å²	124	102.1 Å²	102.1	54%	0.539	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.5	169.2	-89.6	-179.3	178	167.9	0	108.6	F299	K292-F299 HydrophobicContact CB-CB 4.02Å; K292-F299 HydrophobicContact CB-CD2 4.46Å; K292-F299 PolarHBondContact N-O 3.13Å; K292-F299 WeakPolarHBondContact O-CD2 3.45Å; K292-F299 PolarHBondContact O-N 3.14Å
293	H	55.4	Low	52	Low	155 Å²	155	101.2 Å²	101.2	72%	0.718	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	117.9	175.8	-75.4	-96.1	0	0	0	110.6
294	G	50.9	Low	52	Low	35 Å²	35	101.8 Å²	101.8	36%	0.361	53%	0.528	S	S	.	.			trans	-96.3	171	161.8	0	0	0	0	0	111.2	D296 V297	G294-D296 PolarHBondContact O-N 2.79Å; G294-V297 WeakPolarHBondContact CA-O 3.38Å; G294-V297 PolarHBondContact N-O 3.06Å; G294-V297 PolarHBondContact O-N 3.09Å
295	K	49.3	Very low	52.3	Low	212 Å²	212	95.8 Å²	95.8	92%	0.922	51%	0.511	S	S	*	.	S	Bend	trans	-53.9	-22.9	-173	-90.9	179.7	174.7	177.5	0	115.2
296	D	51.2	Low	52.3	Low	163 Å²	163	100 Å²	100	87%	0.872	52%	0.519	S	S	*	.	S	Bend	trans	-149.3	12	173.6	-76.1	-54.1	0	0	0	113.7	G294	G294-D296 PolarHBondContact O-N 2.79Å
297	V	35.2	Very low	52.2	Low	78 Å²	78	96.5 Å²	96.5	47%	0.473	51%	0.507	S	S	.	.			trans	-141.1	133.9	-172.6	-175.3	0	0	0	0	110	G294 F299	G294-V297 WeakPolarHBondContact CA-O 3.38Å; G294-V297 PolarHBondContact N-O 3.06Å; G294-V297 PolarHBondContact O-N 3.09Å; V297-F299 HydrophobicContact CB-CE2 4.24Å; V297-F299 HydrophobicContact CB-CZ 4.21Å; V297-F299 HydrophobicContact CG1-CD1 4.47Å; V297-F299 HydrophobicContact CG1-CE1 4.1Å; V297-F299 HydrophobicContact CG1-CE2 4.25Å; V297-F299 HydrophobicContact CG1-CZ 3.98Å
298	V	43.2	Very low	51.9	Low	53 Å²	53	100.4 Å²	100.4	32%	0.321	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.6	172.1	-173.6	0	0	0	0	108.8	A291 Y300	A291-V298 HydrophobicContact CB-CG1 3.89Å; V298-Y300 HydrophobicContact CB-CE2 4.11Å; V298-Y300 HydrophobicContact CG1-CD2 4.36Å; V298-Y300 HydrophobicContact CG1-CE1 4.32Å; V298-Y300 HydrophobicContact CG1-CE2 3.72Å
299	F	54.3	Low	51.6	Low	117 Å²	117	100.7 Å²	100.7	51%	0.513	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.9	174.9	-57.6	-84.7	0	0	0	109.4	A291 K292 V297	A291-F299 CarbonylContact C-O 3.48Å; A291-F299 WeakPolarHBondContact CA-O 3.24Å; K292-F299 HydrophobicContact CB-CB 4.02Å; K292-F299 HydrophobicContact CB-CD2 4.46Å; K292-F299 PolarHBondContact N-O 3.13Å; K292-F299 WeakPolarHBondContact O-CD2 3.45Å; K292-F299 PolarHBondContact O-N 3.14Å; V297-F299 HydrophobicContact CB-CE2 4.24Å; V297-F299 HydrophobicContact CB-CZ 4.21Å; V297-F299 HydrophobicContact CG1-CD1 4.47Å; V297-F299 HydrophobicContact CG1-CE1 4.1Å; V297-F299 HydrophobicContact CG1-CE2 4.25Å; V297-F299 HydrophobicContact CG1-CZ 3.98Å
300	Y	54	Low	51.1	Low	103 Å²	103	104.1 Å²	104.1	40%	0.404	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	115.3	172.3	-65.4	-89	0	0	0	109.1	T273 A276 I289 S290 A291 V298	T273-Y300 WeakPolarHBondContact CB-OH 3.03Å; T273-Y300 HydrophobicContact CG2-CE2 3.7Å; T273-Y300 WeakPolarHBondContact CG2-OH 3.23Å; A276-Y300 HydrophobicContact CB-CD1 4.47Å; I289-Y300 HydrophobicContact CG2-CD1 4Å; S290-Y300 CarbonylContact O-C 3.51Å; S290-Y300 WeakPolarHBondContact O-CA 3.32Å; A291-Y300 HydrophobicContact CB-CD1 4.27Å; A291-Y300 HydrophobicContact CB-CE1 4.06Å; V298-Y300 HydrophobicContact CB-CE2 4.11Å; V298-Y300 HydrophobicContact CG1-CD2 4.36Å; V298-Y300 HydrophobicContact CG1-CE1 4.32Å; V298-Y300 HydrophobicContact CG1-CE2 3.72Å
301	Q	55.4	Low	50.3	Low	78 Å²	78	111.3 Å²	111.3	36%	0.364	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	119.6	175.6	-179.3	179	-23.1	0	0	108.6	I289 S290 N303	I289-Q301 CarbonylContact C-O 3.48Å; I289-Q301 WeakPolarHBondContact CA-O 3.4Å; S290-Q301 PolarHBondContact N-O 2.92Å; S290-Q301 PolarHBondContact O-N 2.93Å; Q301-N303 WeakPolarHBondContact CG-OD1 3.35Å; Q301-N303 PolarHBondContact NE2-ND2 2.93Å; Q301-N303 PolarHBondContact NE2-OD1 2.84Å
302	V	55.5	Low	49.3	Very low	90 Å²	90	113 Å²	113	55%	0.545	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	107.4	-178.8	-176.5	0	0	0	0	108.1	V287 I289	V287-V302 HydrophobicContact CG1-CB 4.5Å; V287-V302 HydrophobicContact CG1-CG1 3.15Å; I289-V302 HydrophobicContact CG1-CG2 4.28Å; I289-V302 HydrophobicContact CG2-CG2 4.39Å
303	N	57.9	Low	47.9	Very low	56 Å²	56	112.8 Å²	112.8	30%	0.299	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	138.6	178.9	-63.2	-37.7	0	0	0	110.2	K288 Q301	K288-N303 PolarHBondContact N-O 3.32Å; K288-N303 PolarHBondContact O-N 3.4Å; Q301-N303 WeakPolarHBondContact CG-OD1 3.35Å; Q301-N303 PolarHBondContact NE2-ND2 2.93Å; Q301-N303 PolarHBondContact NE2-OD1 2.84Å
304	P	50.7	Low	46.8	Very low	103 Å²	103	109.8 Å²	109.8	67%	0.669	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-61.1	140.4	165.6	-13.5	27.1	0	0	0	109.8	E306	P304-E306 PolarHBondContact O-N 2.98Å
305	A	55	Low	45.7	Very low	53 Å²	53	113.2 Å²	113.2	44%	0.438	62%	0.618	S	S	.	*			trans	-70.4	120.8	168.9	0	0	0	0	0	108.9	K286 D307	K286-A305 PolarHBondContact O-N 3.38Å; A305-D307 VanDerWaalsContact C-N 3.28Å; A305-D307 PolarHBondContact O-N 3.36Å
306	E	51.5	Low	44.9	Very low	201 Å²	201	110.4 Å²	110.4	94%	0.939	61%	0.612	S	S	*	*	S	Bend	trans	-79.4	0.9	-175.2	-72.5	-176.7	162.8	0	0	114.4	P304	P304-E306 PolarHBondContact O-N 2.98Å
307	D	51.2	Low	43.7	Very low	82 Å²	82	108.6 Å²	108.6	44%	0.439	60%	0.602	S	S	.	*			trans	-148.6	125.3	175	-155.7	-35.5	0	0	0	112.2	A305 N309	A305-D307 VanDerWaalsContact C-N 3.28Å; A305-D307 PolarHBondContact O-N 3.36Å; D307-N309 PolarHBondContact O-N 2.77Å; D307-N309 PolarHBondContact OD1-N 3.4Å; D307-N309 VanDerWaalsContact OD1-N 3.16Å
308	P	46	Very low	43.4	Very low	129 Å²	129	112 Å²	112	84%	0.838	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-8	175.3	-18.1	30.7	0	0	0	115.3
309	N	45.6	Very low	42.6	Very low	140 Å²	140	114.8 Å²	114.8	75%	0.749	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	3.5	-171.7	-68.4	-32	0	0	0	115.4	D307 E311	D307-N309 PolarHBondContact O-N 2.77Å; D307-N309 PolarHBondContact OD1-N 3.4Å; D307-N309 VanDerWaalsContact OD1-N 3.16Å; N309-E311 PolarHBondContact O-N 3.19Å
310	D	41.4	Very low	41.4	Very low	122 Å²	122	117.1 Å²	117.1	65%	0.652	65%	0.647	S	S	*	*			trans	-80.2	87.3	178.9	-105.2	-21	0	0	0	111.1	S312	D310-S312 PolarHBondContact O-N 2.89Å
311	E	38	Very low	40.1	Very low	191 Å²	191	119.8 Å²	119.8	89%	0.893	67%	0.667	S	S	*	*			trans	-71.5	41.7	167.1	-150.9	175	-153.7	0	0	110.8	N309 T313	N309-E311 PolarHBondContact O-N 3.19Å; E311-T313 PolarHBondContact O-N 3.25Å
312	S	35.1	Very low	38.7	Very low	87 Å²	87	122.1 Å²	122.1	61%	0.608	68%	0.682	S	S	*	*			trans	-94.2	89.9	171.4	57.7	0	0	0	0	108.8	D310 S314	D310-S312 PolarHBondContact O-N 2.89Å; S312-S314 PolarHBondContact O-N 2.91Å
313	T	28.4	Very low	37.6	Very low	120 Å²	120	124 Å²	124	74%	0.736	69%	0.693	S	S	*	*			trans	-51.2	96.2	166.6	-48.8	0	0	0	0	108.7	E311 T315	E311-T313 PolarHBondContact O-N 3.25Å; T313-T315 PolarHBondContact O-N 2.65Å
314	S	34	Very low	36.3	Very low	93 Å²	93	128.4 Å²	128.4	65%	0.65	72%	0.717	S	S	*	*			trans	-78.4	85.9	164	63.3	0	0	0	0	106.6	S312 I316	S312-S314 PolarHBondContact O-N 2.91Å; S314-I316 PolarHBondContact O-N 2.93Å
315	T	27.7	Very low	35.4	Very low	106 Å²	106	130.1 Å²	130.1	65%	0.65	72%	0.72	S	S	*	*			trans	-36.8	121.7	154.9	24	0	0	0	0	108.5	T313 D317	T313-T315 PolarHBondContact O-N 2.65Å; T315-D317 PolarHBondContact O-N 3.1Å
316	I	32	Very low	34.3	Very low	154 Å²	154	134 Å²	134	79%	0.79	73%	0.734	S	S	*	*			trans	-64.5	93.5	161.4	-63.3	172.9	0	0	0	104.2	S314 N318	S314-I316 PolarHBondContact O-N 2.93Å; I316-N318 PolarHBondContact O-N 2.72Å
317	D	25.8	Very low	33.6	Very low	124 Å²	124	131.3 Å²	131.3	66%	0.663	73%	0.731	S	S	*	*			trans	-60	110.7	169.4	-116.3	-14.8	0	0	0	105.8	T315 T319	T315-D317 PolarHBondContact O-N 3.1Å; D317-T319 PolarHBondContact O-N 3.17Å; D317-T319 PolarHBondContact O-OG1 3.38Å
318	N	28.4	Very low	32.6	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	75%	0.749	S	S	*	*			trans	-67.2	68	163.3	-75.2	-29.5	0	0	0	107.4	I316 Q320	I316-N318 PolarHBondContact O-N 2.72Å; N318-Q320 PolarHBondContact O-N 3.45Å; N318-Q320 VanDerWaalsContact O-N 3.08Å
319	T	27.4	Very low	31.9	Very low	111 Å²	111	137.3 Å²	137.3	68%	0.681	75%	0.747	S	S	*	*			trans	-77.4	103.9	177.4	-8.7	0	0	0	0	108.2	D317 I321	D317-T319 PolarHBondContact O-N 3.17Å; D317-T319 PolarHBondContact O-OG1 3.38Å; T319-I321 PolarHBondContact O-N 2.95Å
320	Q	27.4	Very low	31.3	Very low	167 Å²	167	135 Å²	135	78%	0.78	74%	0.742	S	S	*	*			trans	-38.5	114.8	164.7	-66.9	169.1	-24.6	0	0	110.5	N318 N322	N318-Q320 PolarHBondContact O-N 3.45Å; N318-Q320 VanDerWaalsContact O-N 3.08Å; Q320-N322 VanDerWaalsContact C-N 3.35Å; Q320-N322 PolarHBondContact O-N 3.39Å; Q320-N322 VanDerWaalsContact O-N 3.17Å
321	I	27.9	Very low	30.8	Very low	158 Å²	158	137.2 Å²	137.2	81%	0.81	75%	0.748	S	S	*	*			trans	-80.1	96.3	160.1	-64.2	177.3	0	0	0	106	T319 V323	T319-I321 PolarHBondContact O-N 2.95Å; I321-V323 HydrophobicContact CG2-CG2 4.45Å; I321-V323 PolarHBondContact O-N 3.46Å
322	N	25.5	Very low	30.7	Very low	127 Å²	127	135 Å²	135	68%	0.679	74%	0.742	S	S	*	*			trans	-54.9	118	162.4	-84.6	-28.5	0	0	0	109.2	Q320	Q320-N322 VanDerWaalsContact C-N 3.35Å; Q320-N322 PolarHBondContact O-N 3.39Å; Q320-N322 VanDerWaalsContact O-N 3.17Å
323	V	33.2	Very low	30.5	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	75%	0.746	S	S	*	*			trans	-106.6	100.7	158.9	-178.1	0	0	0	0	105.9	I321 D325	I321-V323 HydrophobicContact CG2-CG2 4.45Å; I321-V323 PolarHBondContact O-N 3.46Å; V323-D325 PolarHBondContact O-N 2.88Å
324	N	29.9	Very low	30.8	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	75%	0.75	S	S	*	*			trans	-73.9	115.1	162.1	-70.7	-20	0	0	0	107.2
325	D	32	Very low	30.6	Very low	138 Å²	138	136 Å²	136	74%	0.738	75%	0.754	S	S	*	*				-176.5	117.9	120.2	-140.5	2.8	0	0	0	111.8	V323	V323-D325 PolarHBondContact O-N 2.88Å
326	D	32.1	Very low	30.6	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	77%	0.77	S	S	*	*			trans	37.2	104.9	149.5	-64.1	-17	0	0	0	122.6
327	T	36.6	Very low	30.4	Very low	145 Å²	145	138.4 Å²	138.4	89%	0.89	76%	0.761	S	S	*	*				170.6	120.6	104.3	27.5	0	0	0	0	114.5
328	K	30.9	Very low	30.8	Very low	189 Å²	189	139.8 Å²	139.8	82%	0.822	77%	0.769	S	S	*	*			trans	8.3	137.8	155.6	-84.4	173.8	173.8	171.4	0	123.3
329	N	31	Very low	30.8	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	77%	0.772	S	S	*	*			trans	79	136.2	147.5	-67.1	-3.1	0	0	0	117.1
330	S	32.1	Very low	30.8	Very low	91 Å²	91	143 Å²	143	64%	0.636	78%	0.781	S	S	*	*			cis	176.9	139	-6	43.4	0	0	0	0	105.5
331	H	32.3	Very low	30.9	Very low	170 Å²	170	143 Å²	143	79%	0.787	78%	0.779	S	S	*	*			trans	56.2	126.1	155.5	-78.8	-86.4	0	0	0	117.9
332	D	34.5	Very low	30.8	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	78%	0.778	S	S	*	*			cis	-167	168.5	44.7	-102.4	-28.9	0	0	0	112.8
333	S	32.2	Very low	30.9	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	78%	0.778	S	S	*	*			trans	-91.3	169.1	-160.5	50.6	0	0	0	0	118.2
334	S	33.4	Very low	30.7	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	78%	0.778	S	S	*	*			trans	91.7	141.8	152.2	80.4	0	0	0	0	118.1
335	S	29.9	Very low	30.7	Very low	107 Å²	107	143 Å²	143	75%	0.748	78%	0.779	S	S	*	*			cis	-168.5	133.8	-19.2	51.6	0	0	0	0	105.9
336	F	27.2	Very low	30.5	Very low	221 Å²	221	140.6 Å²	140.6	97%	0.969	78%	0.779	S	S	*	*			trans	-103.1	123.8	170.8	-125.5	-91.1	0	0	0	107.7
337	S	29.5	Very low	30.3	Very low	88 Å²	88	139.1 Å²	139.1	62%	0.615	78%	0.779	S	S	*	*			trans	-154	110.7	164.1	57.3	0	0	0	0	109.2
338	D	33.7	Very low	30	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	77%	0.772	S	S	*	*				158.1	101.6	117.7	-76.4	-23.6	0	0	0	111.3
339	L	28.5	Very low	30	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	78%	0.778	S	S	*	*			trans	-95.2	122.1	156.6	-106.5	159.3	0	0	0	106.2
340	N	27.8	Very low	30	Very low	163 Å²	163	139.6 Å²	139.6	87%	0.872	78%	0.783	S	S	*	*			trans	-177.2	108.2	150.5	-90.6	-31.1	0	0	0	109
341	F	27.9	Very low	29.7	Very low	169 Å²	169	141.6 Å²	141.6	74%	0.741	79%	0.791	S	S	*	*			trans	-174.6	101.9	133.5	-158.8	-110.8	0	0	0	111.1	N343	F341-N343 WeakPolarHBondContact CE1-O 3.36Å; F341-N343 WeakPolarHBondContact CZ-O 3.23Å
342	V	27.5	Very low	29.7	Very low	130 Å²	130	138.8 Å²	138.8	79%	0.788	79%	0.788	S	S	*	*			trans	-124	107.3	156.2	175.2	0	0	0	0	105.9
343	N	27.2	Very low	29.3	Very low	126 Å²	126	137 Å²	137	67%	0.674	79%	0.787	S	S	*	*			trans	163.1	144	143.1	-84.2	-30.7	0	0	0	110.2	F341	F341-N343 WeakPolarHBondContact CE1-O 3.36Å; F341-N343 WeakPolarHBondContact CZ-O 3.23Å
344	Q	27.7	Very low	29.2	Very low	171 Å²	171	137.4 Å²	137.4	80%	0.799	79%	0.79	S	S	*	*			trans	85.2	104.2	-177.9	-54.7	176.7	-3.4	0	0	113.7
345	V	31.4	Very low	28.9	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	79%	0.791	S	S	*	*				-164.2	104.6	91.9	175.3	0	0	0	0	107.4
346	A	26.3	Very low	28.9	Very low	89 Å²	89	137.6 Å²	137.6	74%	0.736	79%	0.791	S	S	*	*			trans	-79.4	155.4	154.4	0	0	0	0	0	108.4
347	S	28.8	Very low	29.1	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	79%	0.786	S	S	*	*			trans	99.3	126.9	165.3	79.3	0	0	0	0	117.9
348	S	30.1	Very low	29	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	80%	0.797	S	S	*	*			trans	88.2	95.7	155.4	-47.4	0	0	0	0	117.1
349	L	30.4	Very low	28.9	Very low	181 Å²	181	133 Å²	133	95%	0.948	79%	0.792	S	S	*	*				-173.5	138.7	114.1	-92.5	143.6	0	0	0	110.8
350	K	32.4	Very low	28.8	Very low	205 Å²	205	130 Å²	130	89%	0.891	79%	0.785	S	S	*	*			trans	-81.8	153.1	-165.1	-71	167.9	172.1	176.2	0	112.8
351	T	26.1	Very low	28.9	Very low	132 Å²	132	128.4 Å²	128.4	81%	0.81	78%	0.782	S	S	*	*			trans	-52.6	174.8	165.1	43.9	0	0	0	0	114.2
352	P	31.4	Very low	29	Very low	111 Å²	111	126.6 Å²	126.6	72%	0.721	78%	0.778	S	S	*	*			cis	-146.4	175.8	21	36.4	-12.6	0	0	0	119.8
353	S	25.9	Very low	29.3	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	78%	0.776	S	S	*	*			trans	74.6	104.4	150	62.8	0	0	0	0	120.7
354	S	29.7	Very low	29.4	Very low	109 Å²	109	124 Å²	124	76%	0.762	76%	0.764	S	S	*	*				173.9	123.7	111.3	41.1	0	0	0	0	111.6
355	S	28.1	Very low	29.7	Very low	118 Å²	118	119.1 Å²	119.1	83%	0.825	75%	0.748	S	S	*	*			trans	21.8	104.5	151.4	55.2	0	0	0	0	119.8
356	S	30.3	Very low	29.9	Very low	107 Å²	107	118.3 Å²	118.3	75%	0.748	74%	0.738	S	S	*	*			trans	-165	110.6	140.7	40.1	0	0	0	0	109.6	T358	S356-T358 PolarHBondContact O-N 2.89Å
357	S	31.1	Very low	30.2	Very low	123 Å²	123	119.5 Å²	119.5	86%	0.86	73%	0.73	S	S	*	*			trans	-76.6	103.6	173	45.6	0	0	0	0	109.3	S359	S357-S359 PolarHBondContact O-N 2.96Å
358	T	26.1	Very low	30.4	Very low	138 Å²	138	122 Å²	122	85%	0.847	73%	0.728	S	S	*	*			trans	-76.6	97.9	171.8	-34.7	0	0	0	0	108.8	S356	S356-T358 PolarHBondContact O-N 2.89Å
359	S	31.5	Very low	30.3	Very low	104 Å²	104	121.6 Å²	121.6	73%	0.727	73%	0.725	S	S	*	*			trans	-86.7	112	168	52.1	0	0	0	0	109.1	S357 T361	S357-S359 PolarHBondContact O-N 2.96Å; S359-T361 PolarHBondContact O-N 2.78Å
360	S	28.2	Very low	30.4	Very low	102 Å²	102	116.4 Å²	116.4	71%	0.713	70%	0.701	S	S	*	*			trans	-52	111	172	45	0	0	0	0	112.1	I362	S360-I362 PolarHBondContact O-N 3.22Å
361	T	28	Very low	31	Very low	130 Å²	130	112.1 Å²	112.1	80%	0.798	69%	0.687	S	S	*	*			trans	-69.1	105.9	175.3	-40.7	0	0	0	0	110.1	S359	S359-T361 PolarHBondContact O-N 2.78Å
362	I	30.9	Very low	32.1	Very low	131 Å²	131	109.2 Å²	109.2	67%	0.672	67%	0.667	S	S	*	*			trans	-91.3	115.7	169.6	-64.2	172.7	0	0	0	106.5	S360 P364	S360-I362 PolarHBondContact O-N 3.22Å; I362-P364 WeakPolarHBondContact O-CD 3.21Å
363	N	33.1	Very low	33.8	Very low	137 Å²	137	108.4 Å²	108.4	73%	0.733	66%	0.657	S	S	*	*			trans	-63.4	126.4	-173.9	-80.9	-21.1	0	0	0	113.6
364	P	30.3	Very low	36	Very low	66 Å²	66	105.8 Å²	105.8	43%	0.429	63%	0.633	S	S	.	*			trans	-94.7	136.6	164.6	31.8	-22.3	0	0	0	111.8	I362	I362-P364 WeakPolarHBondContact O-CD 3.21Å
365	S	34.7	Very low	38.4	Very low	67 Å²	67	100.9 Å²	100.9	47%	0.469	60%	0.598	S	S	.	*			trans	36.8	100.3	156.6	58.1	0	0	0	0	119.3
366	I	33.6	Very low	40.9	Very low	118 Å²	118	98 Å²	98	61%	0.605	57%	0.572	S	S	*	*			trans	-92.4	98.1	162.6	-65.2	173.4	0	0	0	108.2	K368	I366-K368 HydrophobicContact CG2-CB 4.48Å; I366-K368 HydrophobicContact CG2-CD 4.15Å; I366-K368 HydrophobicContact CG2-CG 3.76Å
367	M	32.9	Very low	43.5	Very low	115 Å²	115	96.8 Å²	96.8	57%	0.567	56%	0.555	S	S	*	*			trans	-76.5	113.2	156.7	-75.7	173.7	73.3	0	0	107.1	F483	M367-F483 HydrophobicContact CE-CE1 4.2Å
368	K	33.6	Very low	46.2	Very low	156 Å²	156	90.9 Å²	90.9	68%	0.678	51%	0.514	S	S	*	.			trans	-100	115.8	174.2	-101.3	172.7	-179.8	177	0	108.9	I366 V370	I366-K368 HydrophobicContact CG2-CB 4.48Å; I366-K368 HydrophobicContact CG2-CD 4.15Å; I366-K368 HydrophobicContact CG2-CG 3.76Å; K368-V370 HydrophobicContact CB-CG2 4.45Å; K368-V370 PolarHBondContact O-N 3.3Å
369	S	27.9	Very low	49.1	Very low	96 Å²	96	84.4 Å²	84.4	67%	0.671	47%	0.474	S	S	*	.			trans	-65.1	116.4	163.1	55.3	0	0	0	0	109.9
370	V	33.1	Very low	51.6	Low	73 Å²	73	83.7 Å²	83.7	44%	0.442	46%	0.459	S	S	.	.			trans	-151.6	121.2	171.2	-177.1	0	0	0	0	110.7	K368 Q374	K368-V370 HydrophobicContact CB-CG2 4.45Å; K368-V370 PolarHBondContact O-N 3.3Å; V370-Q374 HydrophobicContact CB-CG 4.17Å; V370-Q374 HydrophobicContact CG1-CG 4.28Å
371	D	44.2	Very low	54.2	Low	114 Å²	114	79.2 Å²	79.2	61%	0.61	43%	0.429	S	S	*	.			trans	35.4	142.5	137.4	-146.9	13.6	0	0	0	120.1	N373 Q374	D371-N373 PolarHBondContact O-N 2.87Å; D371-Q374 PolarHBondContact O-N 2.86Å; D371-Q374 VanDerWaalsContact O-N 3.17Å
372	D	49	Very low	56.8	Low	71 Å²	71	80.3 Å²	80.3	38%	0.38	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-18.4	-174.7	-69.3	-7	0	0	0	115.4	K480 M502	D372-K480 WeakPolarHBondContact OD1-CD 3.2Å; D372-K480 WeakPolarHBondContact OD1-CE 3.41Å; D372-K480 IonicContact OD1-NZ 2.91Å; D372-K480 PolarHBondContact OD1-NZ 3.26Å; D372-K480 IonicContact OD2-NZ 2.69Å; D372-K480 PolarHBondContact OD2-NZ 3.31Å; D372-M502 HydrophobicContact CB-CE 3.83Å; D372-M502 VanDerWaalsContact CG-CE 3.44Å; D372-M502 WeakPolarHBondContact OD1-CE 3.34Å
373	N	67.9	Low	59.4	Low	95 Å²	95	76.3 Å²	76.3	51%	0.508	40%	0.402	S	S	.	.	H	α-helix	trans	-70.4	-29.7	-179	-70.8	-33.8	0	0	0	115.2	D371 V375 M376 E377	D371-N373 PolarHBondContact O-N 2.87Å; N373-V375 PolarHBondContact O-N 2.83Å; N373-M376 PolarHBondContact O-N 2.75Å; N373-E377 WeakPolarHBondContact O-CG 3.46Å; N373-E377 PolarHBondContact O-N 2.98Å
374	Q	72.4	Confident	62.1	Low	52 Å²	52	71.6 Å²	71.6	24%	0.243	38%	0.38	C	S	.	.	H	α-helix	trans	-67.8	-39.4	-170.6	-76.3	-163.5	-14.3	0	0	114.2	V370 D371 M376 E377 F378 L383	V370-Q374 HydrophobicContact CB-CG 4.17Å; V370-Q374 HydrophobicContact CG1-CG 4.28Å; D371-Q374 PolarHBondContact O-N 2.86Å; D371-Q374 VanDerWaalsContact O-N 3.17Å; Q374-M376 VanDerWaalsContact C-N 3.29Å; Q374-M376 PolarHBondContact O-N 2.87Å; Q374-E377 PolarHBondContact O-N 2.95Å; Q374-F378 WeakPolarHBondContact O-CB 3.08Å; Q374-F378 PolarHBondContact O-N 2.87Å; Q374-L383 HydrophobicContact CB-CD2 4.15Å; Q374-L383 HydrophobicContact CG-CD2 4.19Å
375	V	80.5	Confident	64.9	Low	6 Å²	6	69.3 Å²	69.3	4%	0.036	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-41.1	178.4	173.8	0	0	0	0	110.2	N373 F378 L379 I482 M502 F503	N373-V375 PolarHBondContact O-N 2.83Å; V375-F378 WeakPolarHBondContact O-CB 3.5Å; V375-F378 PolarHBondContact O-N 2.74Å; V375-L379 HydrophobicContact CG1-CD1 4.08Å; V375-L379 VanDerWaalsContact O-CG 3.31Å; V375-L379 WeakPolarHBondContact O-CG 3.31Å; V375-L379 PolarHBondContact O-N 2.86Å; V375-I482 HydrophobicContact CB-CD1 4.47Å; V375-I482 HydrophobicContact CG2-CD1 3.64Å; V375-I482 HydrophobicContact CG2-CG1 3.66Å; V375-M502 HydrophobicContact CB-CB 4.16Å; V375-M502 HydrophobicContact CB-CG 4.43Å; V375-M502 HydrophobicContact CG1-CB 3.94Å; V375-M502 HydrophobicContact CG2-CB 3.85Å; V375-M502 HydrophobicContact CG2-CG 3.89Å; V375-F503 HydrophobicContact CG1-CD1 4.08Å; V375-F503 HydrophobicContact CG1-CE1 3.54Å; V375-F503 HydrophobicContact CG1-CZ 4.19Å
376	M	80.3	Confident	67.3	Low	56 Å²	56	69.8 Å²	69.8	28%	0.276	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-43.8	178	-59.7	-60.7	-76	0	0	111.4	N373 Q374 F378 L379 Q380 V521	N373-M376 PolarHBondContact O-N 2.75Å; Q374-M376 VanDerWaalsContact C-N 3.29Å; Q374-M376 PolarHBondContact O-N 2.87Å; M376-F378 VanDerWaalsContact C-N 3.29Å; M376-F378 PolarHBondContact O-N 3.13Å; M376-L379 PolarHBondContact O-N 2.88Å; M376-Q380 WeakPolarHBondContact O-CB 3.42Å; M376-Q380 WeakPolarHBondContact O-CG 3.09Å; M376-Q380 PolarHBondContact O-N 2.63Å; M376-V521 HydrophobicContact CE-CB 4.32Å; M376-V521 HydrophobicContact CE-CG1 3.26Å; M376-V521 WeakPolarHBondContact CE-O 3.34Å; M376-V521 HydrophobicContact SD-CG1 3.61Å
377	E	84	Confident	69.2	Low	82 Å²	82	65.1 Å²	65.1	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-37.4	174.7	-74.3	-178.7	178.2	0	0	112.4	N373 Q374 G381 K382 L383	N373-E377 WeakPolarHBondContact O-CG 3.46Å; N373-E377 PolarHBondContact O-N 2.98Å; Q374-E377 PolarHBondContact O-N 2.95Å; E377-G381 PolarHBondContact O-N 2.91Å; E377-K382 HydrophobicContact CB-CB 4.36Å; E377-K382 WeakPolarHBondContact O-CB 3.29Å; E377-K382 PolarHBondContact O-N 3.11Å; E377-L383 HydrophobicContact CB-CB 3.85Å; E377-L383 PolarHBondContact O-N 3.35Å
378	F	87.7	Confident	71	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.2	-52.4	173.8	168.2	-112.6	0	0	0	111.2	Q374 V375 M376 Q380 G381 L385 I396 F398 I472 V498 F503	Q374-F378 WeakPolarHBondContact O-CB 3.08Å; Q374-F378 PolarHBondContact O-N 2.87Å; V375-F378 WeakPolarHBondContact O-CB 3.5Å; V375-F378 PolarHBondContact O-N 2.74Å; M376-F378 VanDerWaalsContact C-N 3.29Å; M376-F378 PolarHBondContact O-N 3.13Å; F378-Q380 VanDerWaalsContact C-N 3.28Å; F378-Q380 PolarHBondContact O-N 3.42Å; F378-G381 WeakPolarHBondContact O-CA 3.41Å; F378-G381 PolarHBondContact O-N 2.93Å; F378-L385 HydrophobicContact CB-CD1 4.42Å; F378-L385 HydrophobicContact CB-CD2 4.45Å; F378-L385 HydrophobicContact CB-CG 4.42Å; F378-L385 HydrophobicContact CD1-CD1 3.99Å; F378-L385 HydrophobicContact CD2-CD1 3.48Å; F378-L385 VanDerWaalsContact CD2-CD1 3.48Å; F378-L385 HydrophobicContact CD2-CD2 4.31Å; F378-L385 HydrophobicContact CD2-CG 3.45Å; F378-L385 VanDerWaalsContact CD2-CG 3.45Å; F378-L385 HydrophobicContact CE1-CD1 4.05Å; F378-L385 HydrophobicContact CE2-CD1 3.54Å; F378-L385 HydrophobicContact CE2-CG 3.77Å; F378-L385 HydrophobicContact CG-CD1 3.69Å; F378-L385 HydrophobicContact CG-CD2 4.49Å; F378-L385 HydrophobicContact CG-CG 3.96Å; F378-L385 HydrophobicContact CZ-CD1 3.83Å; F378-I396 HydrophobicContact CE2-CG1 4.17Å; F378-I396 HydrophobicContact CE2-CG2 4.1Å; F378-I396 HydrophobicContact CZ-CD1 4.19Å; F378-I396 HydrophobicContact CZ-CG1 4.31Å; F378-I396 HydrophobicContact CZ-CG2 4.44Å; F378-F398 HydrophobicContact CD2-CB 4.08Å; F378-F398 HydrophobicContact CE1-CB 4.29Å; F378-F398 AromaticContact CE1-CD2 3.79Å; F378-F398 HydrophobicContact CE1-CD2 3.79Å; F378-F398 HydrophobicContact CE1-CG 4.34Å; F378-F398 HydrophobicContact CE2-CB 3.77Å; F378-F398 HydrophobicContact CE2-CD2 4.5Å; F378-F398 HydrophobicContact CZ-CB 3.89Å; F378-F398 AromaticContact CZ-CD2 3.76Å; F378-F398 HydrophobicContact CZ-CD2 3.76Å; F378-F398 HydrophobicContact CZ-CG 4.26Å; F378-F398 WeakPolarHBondContact O-CB 3.5Å; F378-I472 HydrophobicContact CE1-CD1 4.38Å; F378-V498 HydrophobicContact CE1-CG1 4.17Å; F378-V498 HydrophobicContact CZ-CG1 4.41Å; F378-V498 HydrophobicContact CZ-CG2 4.47Å; F378-F503 HydrophobicContact CE1-CZ 4.48Å
379	L	86.7	Confident	72.5	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-30.6	-179.5	-68.6	175.5	0	0	0	113	V375 M376 G381 F398 F503 L506 L516 L518	V375-L379 HydrophobicContact CG1-CD1 4.08Å; V375-L379 VanDerWaalsContact O-CG 3.31Å; V375-L379 WeakPolarHBondContact O-CG 3.31Å; V375-L379 PolarHBondContact O-N 2.86Å; M376-L379 PolarHBondContact O-N 2.88Å; L379-G381 PolarHBondContact O-N 2.76Å; L379-F398 HydrophobicContact CD2-CD1 4.25Å; L379-F398 HydrophobicContact CD2-CD2 4.03Å; L379-F398 HydrophobicContact CD2-CE1 3.97Å; L379-F398 HydrophobicContact CD2-CE2 3.74Å; L379-F398 HydrophobicContact CD2-CG 4.28Å; L379-F398 HydrophobicContact CD2-CZ 3.71Å; L379-F398 VanDerWaalsContact O-CD1 3.23Å; L379-F398 WeakPolarHBondContact O-CD1 3.46Å; L379-F503 HydrophobicContact CD1-CE1 4.33Å; L379-F503 HydrophobicContact CD2-CE1 4.33Å; L379-F503 HydrophobicContact CG-CE1 4.48Å; L379-L506 HydrophobicContact CD1-CD1 3.38Å; L379-L516 HydrophobicContact CD2-CD1 3.96Å; L379-L518 HydrophobicContact CB-CD2 3.96Å; L379-L518 WeakPolarHBondContact O-CD1 3.2Å
380	Q	84.1	Confident	74.4	Confident	88 Å²	88	55.9 Å²	55.9	41%	0.411	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.6	172	-70.3	173.8	5.3	0	0	113.3	M376 F378 K382	M376-Q380 WeakPolarHBondContact O-CB 3.42Å; M376-Q380 WeakPolarHBondContact O-CG 3.09Å; M376-Q380 PolarHBondContact O-N 2.63Å; F378-Q380 VanDerWaalsContact C-N 3.28Å; F378-Q380 PolarHBondContact O-N 3.42Å; Q380-K382 HydrophobicContact CB-CD 4.3Å; Q380-K382 HydrophobicContact CB-CG 4.17Å; Q380-K382 PolarHBondContact O-N 3.1Å; Q380-K382 VanDerWaalsContact OE1-CE 3.24Å
381	G	83	Confident	76.2	Confident	8 Å²	8	58 Å²	58	8%	0.082	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	18.6	-176.8	0	0	0	0	0	113.7	E377 F378 L379 K400	E377-G381 PolarHBondContact O-N 2.91Å; F378-G381 WeakPolarHBondContact O-CA 3.41Å; F378-G381 PolarHBondContact O-N 2.93Å; L379-G381 PolarHBondContact O-N 2.76Å; G381-K400 WeakPolarHBondContact O-CE 3.31Å; G381-K400 PolarHBondContact O-NZ 3.32Å
382	K	82.2	Confident	77.9	Confident	153 Å²	153	54.9 Å²	54.9	67%	0.665	29%	0.287	S	S	*	.	S	Bend	trans	-81.8	-35.8	174.5	-67.5	176.2	179.5	164.8	0	111.3	E377 Q380	E377-K382 HydrophobicContact CB-CB 4.36Å; E377-K382 WeakPolarHBondContact O-CB 3.29Å; E377-K382 PolarHBondContact O-N 3.11Å; Q380-K382 HydrophobicContact CB-CD 4.3Å; Q380-K382 HydrophobicContact CB-CG 4.17Å; Q380-K382 PolarHBondContact O-N 3.1Å; Q380-K382 VanDerWaalsContact OE1-CE 3.24Å
383	L	86.2	Confident	79.4	Confident	48 Å²	48	52.7 Å²	52.7	25%	0.251	28%	0.276	S	S	.	.	S	Bend	trans	-109.6	134.8	178	-179.8	65	0	0	0	110.1	Q374 E377 L385	Q374-L383 HydrophobicContact CB-CD2 4.15Å; Q374-L383 HydrophobicContact CG-CD2 4.19Å; E377-L383 HydrophobicContact CB-CB 3.85Å; E377-L383 PolarHBondContact O-N 3.35Å; L383-L385 HydrophobicContact CD2-CD2 4.03Å; L383-L385 HydrophobicContact CG-CD2 4.29Å
384	C	90	Very high	80.4	Confident	38 Å²	38	48.9 Å²	48.9	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.4	166.3	-55.8	0	0	0	0	108.8	E395 I396 C397	C384-E395 HydrophobicContact CB-CG 3.88Å; C384-I396 CarbonylContact C-O 3.59Å; C384-I396 VanDerWaalsContact CA-O 3.3Å; C384-I396 WeakPolarHBondContact CA-O 3.34Å; C384-C397 HydrophobicContact CB-CB 4.06Å; C384-C397 WeakPolarHBondContact CB-SG 3.11Å; C384-C397 WeakPolarHBondContact SG-CB 3.27Å; C384-C397 CovalentContact SG-SG 2.03Å; C384-C397 PolarHBondContact SG-SG 3.32Å
385	L	88.3	Confident	81.3	Confident	18 Å²	18	47.7 Å²	47.7	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.4	179.2	-53.1	172.1	0	0	0	109.3	F378 L383 E395 I396 I482 L484 V498	F378-L385 HydrophobicContact CB-CD1 4.42Å; F378-L385 HydrophobicContact CB-CD2 4.45Å; F378-L385 HydrophobicContact CB-CG 4.42Å; F378-L385 HydrophobicContact CD1-CD1 3.99Å; F378-L385 HydrophobicContact CD2-CD1 3.48Å; F378-L385 VanDerWaalsContact CD2-CD1 3.48Å; F378-L385 HydrophobicContact CD2-CD2 4.31Å; F378-L385 HydrophobicContact CD2-CG 3.45Å; F378-L385 VanDerWaalsContact CD2-CG 3.45Å; F378-L385 HydrophobicContact CE1-CD1 4.05Å; F378-L385 HydrophobicContact CE2-CD1 3.54Å; F378-L385 HydrophobicContact CE2-CG 3.77Å; F378-L385 HydrophobicContact CG-CD1 3.69Å; F378-L385 HydrophobicContact CG-CD2 4.49Å; F378-L385 HydrophobicContact CG-CG 3.96Å; F378-L385 HydrophobicContact CZ-CD1 3.83Å; L383-L385 HydrophobicContact CD2-CD2 4.03Å; L383-L385 HydrophobicContact CG-CD2 4.29Å; L385-E395 CarbonylContact O-C 3.41Å; L385-E395 WeakPolarHBondContact O-CA 3.49Å; L385-I396 HydrophobicContact CB-CG2 3.87Å; L385-I396 PolarHBondContact N-O 2.75Å; L385-I396 PolarHBondContact O-N 3.32Å; L385-I482 HydrophobicContact CD1-CD1 4.09Å; L385-I482 HydrophobicContact CD1-CG2 3.72Å; L385-I482 HydrophobicContact CD2-CD1 3.99Å; L385-L484 HydrophobicContact CB-CD1 3.89Å; L385-L484 HydrophobicContact CB-CD2 4.38Å; L385-L484 HydrophobicContact CD1-CD2 4.3Å; L385-V498 HydrophobicContact CD1-CG1 3.89Å
386	T	86.4	Confident	81.9	Confident	77 Å²	77	47.4 Å²	47.4	47%	0.472	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142	178.7	54.4	0	0	0	0	111.1	Y394 E395 L484	T386-Y394 CarbonylContact C-O 3.54Å; T386-Y394 VanDerWaalsContact CA-O 3.24Å; T386-Y394 WeakPolarHBondContact CA-O 3.06Å; T386-E395 HydrophobicContact CG2-CB 3.99Å; T386-E395 HydrophobicContact CG2-CG 3.82Å; T386-L484 WeakPolarHBondContact O-CD1 3.26Å
387	G	72.9	Confident	82.5	Confident	20 Å²	20	44.8 Å²	44.8	21%	0.206	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.2	176.9	0	0	0	0	0	110.8	Y394	G387-Y394 PolarHBondContact N-O 3.12Å; G387-Y394 PolarHBondContact O-N 3.37Å
388	N	70	Confident	82.9	Confident	91 Å²	91	41.1 Å²	41.1	49%	0.487	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.4	177.1	-63.5	-14.1	0	0	0	109.6	T393	N388-T393 WeakPolarHBondContact OD1-CG2 3.37Å; N388-T393 PolarHBondContact OD1-OG1 2.98Å
389	L	65.2	Low	83	Confident	42 Å²	42	43.6 Å²	43.6	22%	0.22	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	96.7	172.9	-176.3	77	0	0	0	109.4	S106 W391 W392 Y394 F486	S106-L389 VanDerWaalsContact O-CD1 3.26Å; S106-L389 WeakPolarHBondContact O-CD1 3.15Å; S106-L389 WeakPolarHBondContact O-CG 3.28Å; L389-W391 PolarHBondContact O-N 2.98Å; L389-W392 CarbonylContact C-O 3.53Å; L389-W392 PolarHBondContact N-O 3.16Å; L389-W392 PolarHBondContact O-N 3.34Å; L389-Y394 HydrophobicContact CB-CD2 4.03Å; L389-Y394 HydrophobicContact CB-CE2 3.81Å; L389-Y394 HydrophobicContact CD2-CE2 4.25Å; L389-F486 HydrophobicContact CD2-CB 4.16Å; L389-F486 HydrophobicContact CD2-CD1 3.92Å
390	G	67.8	Low	83.4	Confident	39 Å²	39	48.2 Å²	48.2	40%	0.402	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-127.5	-175.7	0	0	0	0	0	112.5	W392	G390-W392 VanDerWaalsContact C-N 3.32Å; G390-W392 PolarHBondContact O-N 3.44Å
391	W	71.3	Confident	83.9	Confident	117 Å²	117	45.7 Å²	45.7	44%	0.443	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.6	-179.6	-174.2	-103.6	0	0	0	112.3	A108 L389 H406	A108-W391 HydrophobicContact CB-CB 3.6Å; L389-W391 PolarHBondContact O-N 2.98Å; W391-H406 AromaticContact CD1-CG 3.72Å; W391-H406 AromaticContact CD1-ND1 3.81Å; W391-H406 AromaticContact CD2-CE1 3.35Å; W391-H406 AromaticContact CD2-CG 3.8Å; W391-H406 AromaticContact CD2-ND1 3.37Å; W391-H406 AromaticContact CD2-NE2 3.8Å; W391-H406 AromaticContact CE2-CD2 3.3Å; W391-H406 AromaticContact CE2-CE1 3.42Å; W391-H406 VanDerWaalsContact CE2-CE1 3.42Å; W391-H406 AromaticContact CE2-CG 3.37Å; W391-H406 AromaticContact CE2-ND1 3.45Å; W391-H406 AromaticContact CE2-NE2 3.36Å; W391-H406 AromaticContact CE3-CE1 3.33Å; W391-H406 AromaticContact CE3-ND1 3.81Å; W391-H406 AromaticContact CE3-NE2 3.87Å; W391-H406 AromaticContact CG-ND1 3.66Å; W391-H406 AromaticContact CH2-CD2 3.83Å; W391-H406 AromaticContact CH2-CE1 3.5Å; W391-H406 AromaticContact CH2-NE2 3.12Å; W391-H406 WeakPolarHBondContact CH2-NE2 3.32Å; W391-H406 AromaticContact CZ2-CD2 3.21Å; W391-H406 WeakPolarHBondContact CZ2-CD2 3.02Å; W391-H406 AromaticContact CZ2-CE1 3.53Å; W391-H406 AromaticContact CZ2-CG 3.81Å; W391-H406 AromaticContact CZ2-ND1 3.99Å; W391-H406 AromaticContact CZ2-NE2 3.03Å; W391-H406 WeakPolarHBondContact CZ2-NE2 3.39Å; W391-H406 AromaticContact CZ3-CE1 3.4Å; W391-H406 WeakPolarHBondContact CZ3-CE1 3.32Å; W391-H406 AromaticContact CZ3-NE2 3.54Å; W391-H406 AromaticContact NE1-CD2 3.55Å; W391-H406 AromaticContact NE1-CG 3.29Å; W391-H406 VanDerWaalsContact NE1-CG 3.29Å; W391-H406 AromaticContact NE1-ND1 3.68Å; W391-H406 PolarHBondContact O-ND1 2.85Å
392	W	79.5	Confident	84.5	Confident	50 Å²	50	45.3 Å²	45.3	19%	0.189	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.7	-174.8	-64.5	107.4	0	0	0	111.8	L389 G390 Y394 Q404 H406 Q415 I417	L389-W392 CarbonylContact C-O 3.53Å; L389-W392 PolarHBondContact N-O 3.16Å; L389-W392 PolarHBondContact O-N 3.34Å; G390-W392 VanDerWaalsContact C-N 3.32Å; G390-W392 PolarHBondContact O-N 3.44Å; W392-Y394 HydrophobicContact CB-CD2 4.38Å; W392-Y394 HydrophobicContact CB-CE1 4.37Å; W392-Y394 HydrophobicContact CB-CE2 3.59Å; W392-Q404 HydrophobicContact CB-CB 4.38Å; W392-Q404 HydrophobicContact CD2-CB 4.46Å; W392-Q404 HydrophobicContact CD2-CG 4.19Å; W392-Q404 VanDerWaalsContact CD2-NE2 3.27Å; W392-Q404 HydrophobicContact CE3-CB 4.1Å; W392-Q404 HydrophobicContact CE3-CG 3.82Å; W392-Q404 HydrophobicContact CZ3-CG 4.16Å; W392-H406 HydrophobicContact CE3-CB 4.04Å; W392-H406 HydrophobicContact CZ3-CB 4.14Å; W392-Q415 VanDerWaalsContact CH2-CD 3.44Å; W392-Q415 HydrophobicContact CH2-CG 3.78Å; W392-Q415 HydrophobicContact CZ3-CB 4.41Å; W392-Q415 HydrophobicContact CZ3-CG 4.07Å; W392-I417 HydrophobicContact CH2-CD1 3.68Å; W392-I417 HydrophobicContact CH2-CG1 4.33Å; W392-I417 HydrophobicContact CZ2-CD1 4.19Å; W392-I417 HydrophobicContact CZ3-CD1 4.31Å
393	T	81.9	Confident	85.1	Confident	25 Å²	25	40.7 Å²	40.7	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	161.4	-53.5	0	0	0	0	108.6	N388 Q404 Y405	N388-T393 WeakPolarHBondContact OD1-CG2 3.37Å; N388-T393 PolarHBondContact OD1-OG1 2.98Å; T393-Q404 CarbonylContact O-C 3.5Å; T393-Q404 WeakPolarHBondContact O-CA 3.42Å; T393-Y405 WeakPolarHBondContact CB-O 3.26Å; T393-Y405 HydrophobicContact CG2-CD1 4.48Å; T393-Y405 HydrophobicContact CG2-CE1 3.68Å; T393-Y405 HydrophobicContact CG2-CE2 3.89Å; T393-Y405 VanDerWaalsContact CG2-OH 3.23Å; T393-Y405 WeakPolarHBondContact CG2-OH 3.39Å; T393-Y405 PolarHBondContact N-O 2.77Å; T393-Y405 PolarHBondContact O-N 3.22Å
394	Y	87.1	Confident	85.4	Confident	15 Å²	15	38.8 Å²	38.8	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.1	177.1	-63.7	-84	0	0	0	109.4	T386 G387 L389 W392 R403 Q404 L419 F486	T386-Y394 CarbonylContact C-O 3.54Å; T386-Y394 VanDerWaalsContact CA-O 3.24Å; T386-Y394 WeakPolarHBondContact CA-O 3.06Å; G387-Y394 PolarHBondContact N-O 3.12Å; G387-Y394 PolarHBondContact O-N 3.37Å; L389-Y394 HydrophobicContact CB-CD2 4.03Å; L389-Y394 HydrophobicContact CB-CE2 3.81Å; L389-Y394 HydrophobicContact CD2-CE2 4.25Å; W392-Y394 HydrophobicContact CB-CD2 4.38Å; W392-Y394 HydrophobicContact CB-CE1 4.37Å; W392-Y394 HydrophobicContact CB-CE2 3.59Å; Y394-R403 WeakPolarHBondContact CA-O 3.49Å; Y394-Q404 HydrophobicContact CD1-CB 3.66Å; Y394-Q404 HydrophobicContact CE1-CB 3.51Å; Y394-Q404 HydrophobicContact CE1-CG 4.4Å; Y394-Q404 VanDerWaalsContact CE1-OE1 3.32Å; Y394-L419 HydrophobicContact CD1-CD1 3.84Å; Y394-L419 HydrophobicContact CE1-CD1 3.89Å; Y394-F486 HydrophobicContact CD1-CD1 4.14Å; Y394-F486 AromaticContact CD1-CD2 3.75Å; Y394-F486 HydrophobicContact CD1-CD2 3.75Å; Y394-F486 AromaticContact CD1-CE1 3.91Å; Y394-F486 HydrophobicContact CD1-CE1 3.91Å; Y394-F486 AromaticContact CD1-CE2 3.46Å; Y394-F486 HydrophobicContact CD1-CE2 3.46Å; Y394-F486 VanDerWaalsContact CD1-CE2 3.46Å; Y394-F486 HydrophobicContact CD1-CG 4.04Å; Y394-F486 AromaticContact CD1-CZ 3.51Å; Y394-F486 HydrophobicContact CD1-CZ 3.51Å; Y394-F486 HydrophobicContact CD2-CB 4.48Å; Y394-F486 HydrophobicContact CD2-CD1 4.2Å; Y394-F486 HydrophobicContact CD2-CG 4.17Å; Y394-F486 AromaticContact CE1-CD1 3.71Å; Y394-F486 HydrophobicContact CE1-CD1 3.71Å; Y394-F486 HydrophobicContact CE1-CD2 4.04Å; Y394-F486 AromaticContact CE1-CE1 3.17Å; Y394-F486 HydrophobicContact CE1-CE1 3.17Å; Y394-F486 AromaticContact CE1-CE2 3.53Å; Y394-F486 HydrophobicContact CE1-CE2 3.53Å; Y394-F486 HydrophobicContact CE1-CG 4.09Å; Y394-F486 AromaticContact CE1-CZ 3.01Å; Y394-F486 HydrophobicContact CE1-CZ 3.01Å; Y394-F486 AromaticContact CE2-CD1 3.76Å; Y394-F486 HydrophobicContact CE2-CD1 3.76Å; Y394-F486 AromaticContact CE2-CE1 3.98Å; Y394-F486 HydrophobicContact CE2-CE1 3.98Å; Y394-F486 HydrophobicContact CE2-CG 4.21Å; Y394-F486 HydrophobicContact CG-CD1 4.37Å; Y394-F486 HydrophobicContact CG-CD2 4.04Å; Y394-F486 HydrophobicContact CG-CE2 4.22Å; Y394-F486 HydrophobicContact CG-CG 4.08Å; Y394-F486 HydrophobicContact CG-CZ 4.45Å; Y394-F486 AromaticContact CZ-CD1 3.48Å; Y394-F486 VanDerWaalsContact CZ-CD1 3.48Å; Y394-F486 AromaticContact CZ-CE1 3.19Å; Y394-F486 AromaticContact CZ-CZ 3.62Å; Y394-F486 VanDerWaalsContact OH-CE1 3.28Å; Y394-F486 WeakPolarHBondContact OH-CE1 3.19Å
395	E	91.3	Very high	85.4	Confident	26 Å²	26	39.5 Å²	39.5	12%	0.121	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132	174.8	-176.4	-177.5	-126.5	0	0	109.8	C384 L385 T386 V402 R403 Y405	C384-E395 HydrophobicContact CB-CG 3.88Å; L385-E395 CarbonylContact O-C 3.41Å; L385-E395 WeakPolarHBondContact O-CA 3.49Å; T386-E395 HydrophobicContact CG2-CB 3.99Å; T386-E395 HydrophobicContact CG2-CG 3.82Å; E395-V402 WeakPolarHBondContact O-CA 3.37Å; E395-R403 HydrophobicContact CB-CG 4.01Å; E395-R403 PolarHBondContact N-O 3.03Å; E395-R403 PolarHBondContact O-N 2.88Å; E395-R403 IonicContact OE1-NH2 2.63Å; E395-R403 IonicContact OE2-CZ 2.82Å; E395-R403 IonicContact OE2-NE 2.91Å; E395-R403 PolarHBondContact OE2-NE 3.39Å; E395-R403 IonicContact OE2-NH2 3.69Å; E395-R403 PolarHBondContact OE2-NH2 2.91Å; E395-Y405 HydrophobicContact CB-CE1 4.15Å
396	I	93.4	Very high	85.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.1	170.5	179.2	166.7	0	0	0	110	F378 C384 L385 V402 V470 L484 M496 V498	F378-I396 HydrophobicContact CE2-CG1 4.17Å; F378-I396 HydrophobicContact CE2-CG2 4.1Å; F378-I396 HydrophobicContact CZ-CD1 4.19Å; F378-I396 HydrophobicContact CZ-CG1 4.31Å; F378-I396 HydrophobicContact CZ-CG2 4.44Å; C384-I396 CarbonylContact C-O 3.59Å; C384-I396 VanDerWaalsContact CA-O 3.3Å; C384-I396 WeakPolarHBondContact CA-O 3.34Å; L385-I396 HydrophobicContact CB-CG2 3.87Å; L385-I396 PolarHBondContact N-O 2.75Å; L385-I396 PolarHBondContact O-N 3.32Å; I396-V402 HydrophobicContact CB-CG2 4.37Å; I396-V402 HydrophobicContact CD1-CG2 4.25Å; I396-V402 HydrophobicContact CG1-CG2 4.08Å; I396-V470 HydrophobicContact CD1-CB 4.14Å; I396-V470 HydrophobicContact CD1-CG1 3.4Å; I396-V470 VanDerWaalsContact CD1-CG1 3.4Å; I396-V470 HydrophobicContact CD1-CG2 3.61Å; I396-L484 HydrophobicContact CG2-CD2 4.19Å; I396-M496 HydrophobicContact CB-CE 4.41Å; I396-M496 HydrophobicContact CB-SD 3.67Å; I396-M496 HydrophobicContact CD1-SD 3.92Å; I396-M496 HydrophobicContact CG1-SD 4.38Å; I396-M496 HydrophobicContact CG2-CE 4.46Å; I396-M496 HydrophobicContact CG2-SD 3.7Å; I396-V498 HydrophobicContact CD1-CG2 4.24Å
397	C	93.6	Very high	84.7	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.4	166.1	-61.3	0	0	0	0	107.5	C384 N399 K400 F401	C384-C397 HydrophobicContact CB-CB 4.06Å; C384-C397 WeakPolarHBondContact CB-SG 3.11Å; C384-C397 WeakPolarHBondContact SG-CB 3.27Å; C384-C397 CovalentContact SG-SG 2.03Å; C384-C397 PolarHBondContact SG-SG 3.32Å; C397-N399 PolarHBondContact O-N 2.9Å; C397-K400 HydrophobicContact CB-CB 3.84Å; C397-K400 HydrophobicContact CB-CD 4.16Å; C397-K400 HydrophobicContact CB-CG 4.42Å; C397-K400 PolarHBondContact O-N 3.33Å; C397-F401 HydrophobicContact CB-CD1 4.46Å; C397-F401 HydrophobicContact CB-CE1 4.28Å; C397-F401 HydrophobicContact CB-CE2 4.46Å; C397-F401 HydrophobicContact CB-CZ 4.28Å; C397-F401 PolarHBondContact N-O 3.35Å; C397-F401 PolarHBondContact O-N 2.9Å; C397-F401 WeakPolarHBondContact SG-CZ 2.96Å
398	F	91.6	Very high	84.7	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.018	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.9	-177	-164.8	-100.9	0	0	0	111	F378 L379 K400 L451 I472 L516 L518	F378-F398 HydrophobicContact CD2-CB 4.08Å; F378-F398 HydrophobicContact CE1-CB 4.29Å; F378-F398 AromaticContact CE1-CD2 3.79Å; F378-F398 HydrophobicContact CE1-CD2 3.79Å; F378-F398 HydrophobicContact CE1-CG 4.34Å; F378-F398 HydrophobicContact CE2-CB 3.77Å; F378-F398 HydrophobicContact CE2-CD2 4.5Å; F378-F398 HydrophobicContact CZ-CB 3.89Å; F378-F398 AromaticContact CZ-CD2 3.76Å; F378-F398 HydrophobicContact CZ-CD2 3.76Å; F378-F398 HydrophobicContact CZ-CG 4.26Å; F378-F398 WeakPolarHBondContact O-CB 3.5Å; L379-F398 HydrophobicContact CD2-CD1 4.25Å; L379-F398 HydrophobicContact CD2-CD2 4.03Å; L379-F398 HydrophobicContact CD2-CE1 3.97Å; L379-F398 HydrophobicContact CD2-CE2 3.74Å; L379-F398 HydrophobicContact CD2-CG 4.28Å; L379-F398 HydrophobicContact CD2-CZ 3.71Å; L379-F398 VanDerWaalsContact O-CD1 3.23Å; L379-F398 WeakPolarHBondContact O-CD1 3.46Å; F398-K400 PolarHBondContact O-N 2.91Å; F398-K400 VanDerWaalsContact O-N 3.12Å; F398-L451 HydrophobicContact CD2-CD1 4.39Å; F398-L451 HydrophobicContact CE2-CD1 3.44Å; F398-L451 VanDerWaalsContact CE2-CD1 3.44Å; F398-L451 HydrophobicContact CZ-CD1 3.83Å; F398-I472 HydrophobicContact CE2-CD1 4.39Å; F398-I472 HydrophobicContact CE2-CG1 4.48Å; F398-L516 HydrophobicContact CZ-CD1 4.38Å; F398-L518 HydrophobicContact CE1-CD1 4.16Å; F398-L518 HydrophobicContact CE1-CD2 4.13Å
399	N	91.1	Very high	84.8	Confident	53 Å²	53	41.6 Å²	41.6	28%	0.283	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	22.7	-176.1	-69.3	-6.5	0	0	0	115.2	C397 W422 Y453	C397-N399 PolarHBondContact O-N 2.9Å; N399-W422 HydrophobicContact CB-CG 4.21Å; N399-W422 VanDerWaalsContact O-CD1 3.23Å; N399-Y453 PolarHBondContact N-OH 3.01Å
400	K	93.8	Very high	85	Confident	99 Å²	99	47 Å²	47	43%	0.43	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-72.4	176.8	-61.7	-178.4	-171.5	171.9	0	111.7	G381 C397 F398 W422	G381-K400 WeakPolarHBondContact O-CE 3.31Å; G381-K400 PolarHBondContact O-NZ 3.32Å; C397-K400 HydrophobicContact CB-CB 3.84Å; C397-K400 HydrophobicContact CB-CD 4.16Å; C397-K400 HydrophobicContact CB-CG 4.42Å; C397-K400 PolarHBondContact O-N 3.33Å; F398-K400 PolarHBondContact O-N 2.91Å; F398-K400 VanDerWaalsContact O-N 3.12Å; K400-W422 PolarHBondContact O-N 3.41Å
401	F	95.8	Very high	85.3	Confident	35 Å²	35	48.7 Å²	48.7	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	163.5	-175	62.5	-100.1	0	0	0	111.7	C397 R403 R418 G420	C397-F401 HydrophobicContact CB-CD1 4.46Å; C397-F401 HydrophobicContact CB-CE1 4.28Å; C397-F401 HydrophobicContact CB-CE2 4.46Å; C397-F401 HydrophobicContact CB-CZ 4.28Å; C397-F401 PolarHBondContact N-O 3.35Å; C397-F401 PolarHBondContact O-N 2.9Å; C397-F401 WeakPolarHBondContact SG-CZ 2.96Å; F401-R403 HydrophobicContact CD2-CB 4.22Å; F401-R403 HydrophobicContact CD2-CG 4.09Å; F401-R403 HydrophobicContact CE2-CB 4.4Å; F401-R403 HydrophobicContact CE2-CG 3.8Å; F401-R418 VanDerWaalsContact CG-CZ 3.5Å; F401-G420 WeakPolarHBondContact CA-O 3.37Å
402	V	95.7	Very high	85.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.4	162.8	-175.1	0	0	0	0	107.6	E395 I396 L419 G420 Y453 V468 V470 M496	E395-V402 WeakPolarHBondContact O-CA 3.37Å; I396-V402 HydrophobicContact CB-CG2 4.37Å; I396-V402 HydrophobicContact CD1-CG2 4.25Å; I396-V402 HydrophobicContact CG1-CG2 4.08Å; V402-L419 HydrophobicContact CB-CB 4.34Å; V402-L419 HydrophobicContact CG1-CB 4.21Å; V402-L419 HydrophobicContact CG1-CD1 4.11Å; V402-L419 PolarHBondContact O-N 3.31Å; V402-G420 PolarHBondContact N-O 3.34Å; V402-G420 PolarHBondContact O-N 2.71Å; V402-Y453 HydrophobicContact CG2-CD1 3.99Å; V402-Y453 HydrophobicContact CG2-CE1 4.31Å; V402-Y453 HydrophobicContact CG2-CG 4.17Å; V402-V468 HydrophobicContact CB-CG1 3.7Å; V402-V468 HydrophobicContact CG1-CG1 4.14Å; V402-V468 HydrophobicContact CG2-CG1 3.68Å; V402-V470 HydrophobicContact CG2-CG2 3.91Å; V402-M496 HydrophobicContact CG1-CE 4.27Å
403	R	94.1	Very high	85.1	Confident	56 Å²	56	53.8 Å²	53.8	21%	0.211	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.1	175.1	67.9	174	175.2	177.7	-1	111.1	Y394 E395 F401 Y405 E416 I417	Y394-R403 WeakPolarHBondContact CA-O 3.49Å; E395-R403 HydrophobicContact CB-CG 4.01Å; E395-R403 PolarHBondContact N-O 3.03Å; E395-R403 PolarHBondContact O-N 2.88Å; E395-R403 IonicContact OE1-NH2 2.63Å; E395-R403 IonicContact OE2-CZ 2.82Å; E395-R403 IonicContact OE2-NE 2.91Å; E395-R403 PolarHBondContact OE2-NE 3.39Å; E395-R403 IonicContact OE2-NH2 3.69Å; E395-R403 PolarHBondContact OE2-NH2 2.91Å; F401-R403 HydrophobicContact CD2-CB 4.22Å; F401-R403 HydrophobicContact CD2-CG 4.09Å; F401-R403 HydrophobicContact CE2-CB 4.4Å; F401-R403 HydrophobicContact CE2-CG 3.8Å; R403-Y405 HydrophobicContact CG-CD1 4.44Å; R403-E416 WeakPolarHBondContact CD-OE1 3.34Å; R403-E416 IonicContact CZ-OE1 3.05Å; R403-E416 IonicContact NE-OE1 2.65Å; R403-E416 VanDerWaalsContact NH1-CD 3.25Å; R403-E416 IonicContact NH1-OE1 2.68Å; R403-E416 PolarHBondContact NH1-OE1 3.12Å; R403-E416 IonicContact NH1-OE2 2.91Å; R403-E416 PolarHBondContact NH1-OE2 3.2Å; R403-E416 VanDerWaalsContact NH1-OE2 3.13Å; R403-I417 WeakPolarHBondContact CA-O 3.42Å
404	Q	91.8	Very high	85.1	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.7	162.8	68	178.7	45.7	0	0	109.2	W392 T393 Y394 E416 I417 L419	W392-Q404 HydrophobicContact CB-CB 4.38Å; W392-Q404 HydrophobicContact CD2-CB 4.46Å; W392-Q404 HydrophobicContact CD2-CG 4.19Å; W392-Q404 VanDerWaalsContact CD2-NE2 3.27Å; W392-Q404 HydrophobicContact CE3-CB 4.1Å; W392-Q404 HydrophobicContact CE3-CG 3.82Å; W392-Q404 HydrophobicContact CZ3-CG 4.16Å; T393-Q404 CarbonylContact O-C 3.5Å; T393-Q404 WeakPolarHBondContact O-CA 3.42Å; Y394-Q404 HydrophobicContact CD1-CB 3.66Å; Y394-Q404 HydrophobicContact CE1-CB 3.51Å; Y394-Q404 HydrophobicContact CE1-CG 4.4Å; Y394-Q404 VanDerWaalsContact CE1-OE1 3.32Å; Q404-E416 WeakPolarHBondContact O-CA 3.36Å; Q404-I417 HydrophobicContact CG-CB 3.74Å; Q404-I417 HydrophobicContact CG-CG2 4.42Å; Q404-I417 PolarHBondContact N-O 3.47Å; Q404-I417 PolarHBondContact O-N 3.5Å; Q404-L419 HydrophobicContact CB-CD1 4.3Å; Q404-L419 HydrophobicContact CB-CD2 4.37Å; Q404-L419 HydrophobicContact CB-CG 4.41Å; Q404-L419 HydrophobicContact CG-CD2 3.78Å; Q404-L419 HydrophobicContact CG-CG 4.31Å
405	Y	90.8	Very high	85	Confident	53 Å²	53	60.6 Å²	60.6	21%	0.208	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.5	174.8	65.3	-89	0	0	0	112.1	T393 E395 R403 L414 Q415	T393-Y405 WeakPolarHBondContact CB-O 3.26Å; T393-Y405 HydrophobicContact CG2-CD1 4.48Å; T393-Y405 HydrophobicContact CG2-CE1 3.68Å; T393-Y405 HydrophobicContact CG2-CE2 3.89Å; T393-Y405 VanDerWaalsContact CG2-OH 3.23Å; T393-Y405 WeakPolarHBondContact CG2-OH 3.39Å; T393-Y405 PolarHBondContact N-O 2.77Å; T393-Y405 PolarHBondContact O-N 3.22Å; E395-Y405 HydrophobicContact CB-CE1 4.15Å; R403-Y405 HydrophobicContact CG-CD1 4.44Å; Y405-L414 HydrophobicContact CD2-CD1 3.68Å; Y405-L414 HydrophobicContact CG-CD1 4.16Å; Y405-Q415 CarbonylContact C-O 3.51Å; Y405-Q415 WeakPolarHBondContact CA-O 3.47Å; Y405-Q415 WeakPolarHBondContact CB-O 3.29Å
406	H	82.9	Confident	84.9	Confident	26 Å²	26	63.1 Å²	63.1	12%	0.12	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.2	171.8	177.4	82	0	0	0	109.1	W391 W392 D408 L414 Q415	W391-H406 AromaticContact CD1-CG 3.72Å; W391-H406 AromaticContact CD1-ND1 3.81Å; W391-H406 AromaticContact CD2-CE1 3.35Å; W391-H406 AromaticContact CD2-CG 3.8Å; W391-H406 AromaticContact CD2-ND1 3.37Å; W391-H406 AromaticContact CD2-NE2 3.8Å; W391-H406 AromaticContact CE2-CD2 3.3Å; W391-H406 AromaticContact CE2-CE1 3.42Å; W391-H406 VanDerWaalsContact CE2-CE1 3.42Å; W391-H406 AromaticContact CE2-CG 3.37Å; W391-H406 AromaticContact CE2-ND1 3.45Å; W391-H406 AromaticContact CE2-NE2 3.36Å; W391-H406 AromaticContact CE3-CE1 3.33Å; W391-H406 AromaticContact CE3-ND1 3.81Å; W391-H406 AromaticContact CE3-NE2 3.87Å; W391-H406 AromaticContact CG-ND1 3.66Å; W391-H406 AromaticContact CH2-CD2 3.83Å; W391-H406 AromaticContact CH2-CE1 3.5Å; W391-H406 AromaticContact CH2-NE2 3.12Å; W391-H406 WeakPolarHBondContact CH2-NE2 3.32Å; W391-H406 AromaticContact CZ2-CD2 3.21Å; W391-H406 WeakPolarHBondContact CZ2-CD2 3.02Å; W391-H406 AromaticContact CZ2-CE1 3.53Å; W391-H406 AromaticContact CZ2-CG 3.81Å; W391-H406 AromaticContact CZ2-ND1 3.99Å; W391-H406 AromaticContact CZ2-NE2 3.03Å; W391-H406 WeakPolarHBondContact CZ2-NE2 3.39Å; W391-H406 AromaticContact CZ3-CE1 3.4Å; W391-H406 WeakPolarHBondContact CZ3-CE1 3.32Å; W391-H406 AromaticContact CZ3-NE2 3.54Å; W391-H406 AromaticContact NE1-CD2 3.55Å; W391-H406 AromaticContact NE1-CG 3.29Å; W391-H406 VanDerWaalsContact NE1-CG 3.29Å; W391-H406 AromaticContact NE1-ND1 3.68Å; W391-H406 PolarHBondContact O-ND1 2.85Å; W392-H406 HydrophobicContact CE3-CB 4.04Å; W392-H406 HydrophobicContact CZ3-CB 4.14Å; H406-D408 PolarHBondContact CD2-N 2.99Å; H406-L414 WeakPolarHBondContact O-CA 3.3Å; H406-Q415 PolarHBondContact N-O 2.84Å; H406-Q415 PolarHBondContact O-N 3.17Å
407	L	77.8	Confident	84.9	Confident	107 Å²	107	64.3 Å²	64.3	56%	0.56	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	108.4	174.3	-176.6	69.4	0	0	0	109.1	A409 L414	L407-A409 PolarHBondContact O-N 3.39Å; L407-L414 HydrophobicContact CB-CD1 4.45Å; L407-L414 HydrophobicContact CD1-CB 4.4Å; L407-L414 HydrophobicContact CD1-CD1 4.47Å
408	D	72.9	Confident	85	Confident	45 Å²	45	67.2 Å²	67.2	24%	0.241	33%	0.334	C	S	.	.			trans	-67	120.9	177.5	176.1	-19.9	0	0	0	109.6	H406 N410 T411 K412 Q413	H406-D408 PolarHBondContact CD2-N 2.99Å; D408-N410 VanDerWaalsContact C-N 3.26Å; D408-N410 PolarHBondContact O-N 2.81Å; D408-N410 WeakPolarHBondContact OD1-CA 3.4Å; D408-N410 WeakPolarHBondContact OD1-CB 3.48Å; D408-N410 PolarHBondContact OD1-N 2.82Å; D408-T411 WeakPolarHBondContact CB-OG1 3.18Å; D408-T411 PolarHBondContact OD1-N 2.03Å; D408-T411 WeakPolarHBondContact OD2-CG2 2.93Å; D408-T411 PolarHBondContact OD2-OG1 2.82Å; D408-K412 WeakPolarHBondContact O-CA 3.3Å; D408-K412 PolarHBondContact O-N 2.03Å; D408-Q413 PolarHBondContact N-O 2.63Å; D408-Q413 VanDerWaalsContact N-O 3.1Å
409	A	71	Confident	85.2	Confident	72 Å²	72	67 Å²	67	60%	0.595	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.4	-176.6	0	0	0	0	0	113.5	L407	L407-A409 PolarHBondContact O-N 3.39Å
410	N	69.9	Low	85.5	Confident	156 Å²	156	64.5 Å²	64.5	83%	0.834	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-47.8	-176.7	-62.9	-39.4	0	0	0	111.3	D408	D408-N410 VanDerWaalsContact C-N 3.26Å; D408-N410 PolarHBondContact O-N 2.81Å; D408-N410 WeakPolarHBondContact OD1-CA 3.4Å; D408-N410 WeakPolarHBondContact OD1-CB 3.48Å; D408-N410 PolarHBondContact OD1-N 2.82Å
411	T	74	Confident	85.6	Confident	75 Å²	75	62.2 Å²	62.2	46%	0.46	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.8	-175.9	63.9	0	0	0	0	112.9	D408 Q413	D408-T411 WeakPolarHBondContact CB-OG1 3.18Å; D408-T411 PolarHBondContact OD1-N 2.03Å; D408-T411 WeakPolarHBondContact OD2-CG2 2.93Å; D408-T411 PolarHBondContact OD2-OG1 2.82Å; T411-Q413 PolarHBondContact O-N 2.8Å; T411-Q413 VanDerWaalsContact O-N 3.17Å; T411-Q413 VanDerWaalsContact OG1-CB 3.31Å; T411-Q413 WeakPolarHBondContact OG1-CB 3.34Å; T411-Q413 PolarHBondContact OG1-N 2.81Å
412	K	71.8	Confident	85.6	Confident	137 Å²	137	62.8 Å²	62.8	60%	0.596	31%	0.313	S	S	*	.			trans	55.1	21.3	-168.5	-56.7	-174.6	179.4	-176.4	0	113	D408	D408-K412 WeakPolarHBondContact O-CA 3.3Å; D408-K412 PolarHBondContact O-N 2.03Å
413	Q	74.7	Confident	85.6	Confident	136 Å²	136	65 Å²	65	64%	0.636	33%	0.326	S	S	*	.			trans	-81.8	126.4	179.2	-169.8	173.4	-12.1	0	0	109.5	D408 T411	D408-Q413 PolarHBondContact N-O 2.63Å; D408-Q413 VanDerWaalsContact N-O 3.1Å; T411-Q413 PolarHBondContact O-N 2.8Å; T411-Q413 VanDerWaalsContact O-N 3.17Å; T411-Q413 VanDerWaalsContact OG1-CB 3.31Å; T411-Q413 WeakPolarHBondContact OG1-CB 3.34Å; T411-Q413 PolarHBondContact OG1-N 2.81Å
414	L	81	Confident	85.5	Confident	85 Å²	85	66.4 Å²	66.4	45%	0.445	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.4	172.5	-174.3	71.3	0	0	0	108.9	Y405 H406 L407	Y405-L414 HydrophobicContact CD2-CD1 3.68Å; Y405-L414 HydrophobicContact CG-CD1 4.16Å; H406-L414 WeakPolarHBondContact O-CA 3.3Å; L407-L414 HydrophobicContact CB-CD1 4.45Å; L407-L414 HydrophobicContact CD1-CB 4.4Å; L407-L414 HydrophobicContact CD1-CD1 4.47Å
415	Q	85	Confident	85.6	Confident	98 Å²	98	72 Å²	72	46%	0.458	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	110.8	167.4	-171.8	178.2	14.5	0	0	107.8	W392 Y405 H406	W392-Q415 VanDerWaalsContact CH2-CD 3.44Å; W392-Q415 HydrophobicContact CH2-CG 3.78Å; W392-Q415 HydrophobicContact CZ3-CB 4.41Å; W392-Q415 HydrophobicContact CZ3-CG 4.07Å; Y405-Q415 CarbonylContact C-O 3.51Å; Y405-Q415 WeakPolarHBondContact CA-O 3.47Å; Y405-Q415 WeakPolarHBondContact CB-O 3.29Å; H406-Q415 PolarHBondContact N-O 2.84Å; H406-Q415 PolarHBondContact O-N 3.17Å
416	E	91.2	Very high	85.7	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.369	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.1	179.8	-180	173.6	176	0	0	110.5	R403 Q404 R418	R403-E416 WeakPolarHBondContact CD-OE1 3.34Å; R403-E416 IonicContact CZ-OE1 3.05Å; R403-E416 IonicContact NE-OE1 2.65Å; R403-E416 VanDerWaalsContact NH1-CD 3.25Å; R403-E416 IonicContact NH1-OE1 2.68Å; R403-E416 PolarHBondContact NH1-OE1 3.12Å; R403-E416 IonicContact NH1-OE2 2.91Å; R403-E416 PolarHBondContact NH1-OE2 3.2Å; R403-E416 VanDerWaalsContact NH1-OE2 3.13Å; Q404-E416 WeakPolarHBondContact O-CA 3.36Å; E416-R418 IonicContact OE1-NH1 3.13Å
417	I	92.7	Very high	86.2	Confident	25 Å²	25	69.2 Å²	69.2	13%	0.128	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	123.8	174.9	-59.7	176.3	0	0	0	108.6	W392 R403 Q404 L419 D457	W392-I417 HydrophobicContact CH2-CD1 3.68Å; W392-I417 HydrophobicContact CH2-CG1 4.33Å; W392-I417 HydrophobicContact CZ2-CD1 4.19Å; W392-I417 HydrophobicContact CZ3-CD1 4.31Å; R403-I417 WeakPolarHBondContact CA-O 3.42Å; Q404-I417 HydrophobicContact CG-CB 3.74Å; Q404-I417 HydrophobicContact CG-CG2 4.42Å; Q404-I417 PolarHBondContact N-O 3.47Å; Q404-I417 PolarHBondContact O-N 3.5Å; I417-L419 HydrophobicContact CG2-CD2 4.14Å; I417-L419 PolarHBondContact O-N 2.95Å; I417-D457 WeakPolarHBondContact CA-OD2 3.15Å; I417-D457 HydrophobicContact CG2-CB 4.24Å
418	R	95.8	Very high	86.9	Confident	63 Å²	63	66.8 Å²	66.8	24%	0.238	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.4	171.8	-164.4	67.4	121.9	-145.4	-3.1	109.9	F401 E416 N421 G456 D457	F401-R418 VanDerWaalsContact CG-CZ 3.5Å; E416-R418 IonicContact OE1-NH1 3.13Å; R418-N421 PolarHBondContact NE-OD1 3.14Å; R418-G456 CarbonylContact O-C 3.47Å; R418-G456 WeakPolarHBondContact O-CA 3.44Å; R418-D457 HydrophobicContact CB-CB 4.46Å; R418-D457 WeakPolarHBondContact CB-OD1 3.42Å; R418-D457 PolarHBondContact N-OD2 3.37Å; R418-D457 PolarHBondContact O-N 2.79Å
419	L	95.9	Very high	87.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-34.1	178.7	-57	-167.9	0	0	0	112	Y394 V402 Q404 I417 R466 E467 V468 F486 Y494	Y394-L419 HydrophobicContact CD1-CD1 3.84Å; Y394-L419 HydrophobicContact CE1-CD1 3.89Å; V402-L419 HydrophobicContact CB-CB 4.34Å; V402-L419 HydrophobicContact CG1-CB 4.21Å; V402-L419 HydrophobicContact CG1-CD1 4.11Å; V402-L419 PolarHBondContact O-N 3.31Å; Q404-L419 HydrophobicContact CB-CD1 4.3Å; Q404-L419 HydrophobicContact CB-CD2 4.37Å; Q404-L419 HydrophobicContact CB-CG 4.41Å; Q404-L419 HydrophobicContact CG-CD2 3.78Å; Q404-L419 HydrophobicContact CG-CG 4.31Å; I417-L419 HydrophobicContact CG2-CD2 4.14Å; I417-L419 PolarHBondContact O-N 2.95Å; L419-R466 CarbonylContact O-C 3.53Å; L419-R466 WeakPolarHBondContact O-CB 3.28Å; L419-R466 VanDerWaalsContact O-O 3.13Å; L419-E467 WeakPolarHBondContact O-CA 3.3Å; L419-E467 PolarHBondContact O-N 3.31Å; L419-V468 HydrophobicContact CB-CB 4.47Å; L419-V468 HydrophobicContact CB-CG1 4.29Å; L419-F486 HydrophobicContact CD1-CE2 3.69Å; L419-F486 HydrophobicContact CD1-CZ 3.71Å; L419-Y494 HydrophobicContact CB-CD2 4.09Å; L419-Y494 HydrophobicContact CB-CE2 4.36Å; L419-Y494 HydrophobicContact CD1-CD1 4.33Å; L419-Y494 HydrophobicContact CD1-CD2 4.13Å; L419-Y494 HydrophobicContact CD1-CE2 4.44Å; L419-Y494 HydrophobicContact CD1-CG 4.08Å; L419-Y494 HydrophobicContact CD2-CD2 4Å; L419-Y494 HydrophobicContact CD2-CE1 4.3Å; L419-Y494 HydrophobicContact CD2-CE2 3.53Å; L419-Y494 HydrophobicContact CG-CD2 4.3Å; L419-Y494 HydrophobicContact CG-CE2 4.32Å
420	G	96.2	Very high	88.9	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	154.4	175.9	0	0	0	0	0	111.5	F401 V402	F401-G420 WeakPolarHBondContact CA-O 3.37Å; V402-G420 PolarHBondContact N-O 3.34Å; V402-G420 PolarHBondContact O-N 2.71Å
421	N	97.1	Very high	89.8	Confident	51 Å²	51	63.5 Å²	63.5	27%	0.273	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.2	172.7	-64	-68.2	0	0	0	108.6	R418 Y453 G454 R455	R418-N421 PolarHBondContact NE-OD1 3.14Å; N421-Y453 CarbonylContact O-C 3.6Å; N421-Y453 WeakPolarHBondContact O-CA 3.41Å; N421-G454 PolarHBondContact N-O 3.3Å; N421-G454 PolarHBondContact O-N 3.22Å; N421-G454 VanDerWaalsContact O-N 3.1Å; N421-R455 PolarHBondContact ND2-O 2.97Å
422	W	95.6	Very high	90.4	Very high	47 Å²	47	61.5 Å²	61.5	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.3	172.6	179	-111.8	0	0	0	109.6	N399 K400 H427 L451 Y453	N399-W422 HydrophobicContact CB-CG 4.21Å; N399-W422 VanDerWaalsContact O-CD1 3.23Å; K400-W422 PolarHBondContact O-N 3.41Å; W422-H427 HydrophobicContact CH2-CB 4.21Å; W422-H427 AromaticContact CH2-CD2 3.58Å; W422-H427 AromaticContact CH2-CG 3.91Å; W422-H427 HydrophobicContact CZ3-CB 4.14Å; W422-L451 HydrophobicContact CH2-CD2 3.97Å; W422-L451 HydrophobicContact CZ3-CB 3.96Å; W422-L451 HydrophobicContact CZ3-CD2 4.17Å; W422-Y453 HydrophobicContact CB-CD1 3.89Å; W422-Y453 HydrophobicContact CB-CE1 3.6Å; W422-Y453 HydrophobicContact CE3-CD1 4.5Å; W422-Y453 HydrophobicContact CE3-CD2 4.02Å; W422-Y453 HydrophobicContact CE3-CE1 4.17Å; W422-Y453 AromaticContact CE3-CE2 3.61Å; W422-Y453 HydrophobicContact CE3-CE2 3.61Å; W422-Y453 HydrophobicContact CE3-CG 4.42Å; W422-Y453 AromaticContact CE3-CZ 3.67Å; W422-Y453 HydrophobicContact CG-CE1 4.38Å; W422-Y453 HydrophobicContact CZ3-CE2 4.06Å
423	D	95.2	Very high	91.2	Very high	48 Å²	48	60.2 Å²	60.2	26%	0.257	30%	0.299	S	S	.	.			trans	-152	116.3	171.6	174.4	64.7	0	0	0	109.1	D425 T426 H427 R455	D423-D425 VanDerWaalsContact C-N 3.33Å; D423-D425 PolarHBondContact O-N 3.18Å; D423-T426 HydrophobicContact CB-CG2 4.41Å; D423-T426 WeakPolarHBondContact CB-OG1 3.46Å; D423-T426 PolarHBondContact O-N 2.99Å; D423-T426 PolarHBondContact O-OG1 3.22Å; D423-T426 WeakPolarHBondContact OD2-CG2 3.4Å; D423-T426 PolarHBondContact OD2-N 3.47Å; D423-T426 VanDerWaalsContact OD2-N 3.12Å; D423-T426 PolarHBondContact OD2-OG1 2.84Å; D423-H427 PolarHBondContact O-N 3.45Å; D423-R455 IonicContact OD1-NH1 2.75Å; D423-R455 IonicContact OD2-CZ 3.78Å; D423-R455 IonicContact OD2-NH1 3.7Å; D423-R455 PolarHBondContact OD2-NH1 3.47Å; D423-R455 IonicContact OD2-NH2 3.07Å
424	L	92.6	Very high	91.5	Very high	84 Å²	84	56.6 Å²	56.6	44%	0.44	28%	0.283	S	S	.	.	H	α-helix	trans	-56.3	-46.8	-172.4	177.4	60.7	0	0	0	111.7	T426 H427 V428 I515	L424-T426 PolarHBondContact O-N 3.48Å; L424-H427 PolarHBondContact O-N 3.29Å; L424-H427 VanDerWaalsContact O-N 3.16Å; L424-V428 HydrophobicContact CD1-CG2 4.09Å; L424-V428 WeakPolarHBondContact O-CG2 3.39Å; L424-V428 PolarHBondContact O-N 2.75Å; L424-I515 HydrophobicContact CD1-CD1 3.4Å
425	D	93.7	Very high	91	Very high	124 Å²	124	54.6 Å²	54.6	66%	0.663	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-41.5	-178	-65.7	-26.9	0	0	0	111.8	D423 H427 K429	D423-D425 VanDerWaalsContact C-N 3.33Å; D423-D425 PolarHBondContact O-N 3.18Å; D425-H427 VanDerWaalsContact C-N 3.34Å; D425-K429 WeakPolarHBondContact O-CB 3.43Å; D425-K429 PolarHBondContact O-N 3.42Å; D425-K429 VanDerWaalsContact O-N 3.1Å
426	T	93	Very high	89.5	Confident	22 Å²	22	55.6 Å²	55.6	14%	0.135	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-37.9	174	57.6	0	0	0	0	113.1	D423 L424 W430	D423-T426 HydrophobicContact CB-CG2 4.41Å; D423-T426 WeakPolarHBondContact CB-OG1 3.46Å; D423-T426 PolarHBondContact O-N 2.99Å; D423-T426 PolarHBondContact O-OG1 3.22Å; D423-T426 WeakPolarHBondContact OD2-CG2 3.4Å; D423-T426 PolarHBondContact OD2-N 3.47Å; D423-T426 VanDerWaalsContact OD2-N 3.12Å; D423-T426 PolarHBondContact OD2-OG1 2.84Å; L424-T426 PolarHBondContact O-N 3.48Å; T426-W430 VanDerWaalsContact O-CB 3.27Å; T426-W430 WeakPolarHBondContact O-CB 3.11Å; T426-W430 PolarHBondContact O-N 3.27Å
427	H	94.2	Very high	87.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-48.9	179.3	169.5	52.5	0	0	0	111.2	W422 D423 L424 D425 K429 W430 F431 S450 Y452 N513	W422-H427 HydrophobicContact CH2-CB 4.21Å; W422-H427 AromaticContact CH2-CD2 3.58Å; W422-H427 AromaticContact CH2-CG 3.91Å; W422-H427 HydrophobicContact CZ3-CB 4.14Å; D423-H427 PolarHBondContact O-N 3.45Å; L424-H427 PolarHBondContact O-N 3.29Å; L424-H427 VanDerWaalsContact O-N 3.16Å; D425-H427 VanDerWaalsContact C-N 3.34Å; H427-K429 VanDerWaalsContact C-N 3.3Å; H427-K429 PolarHBondContact O-N 2.94Å; H427-W430 PolarHBondContact O-N 3.36Å; H427-F431 VanDerWaalsContact O-CB 3.26Å; H427-F431 WeakPolarHBondContact O-CB 3.33Å; H427-F431 PolarHBondContact O-N 3Å; H427-S450 PolarHBondContact CE1-O 3.35Å; H427-S450 VanDerWaalsContact CE1-O 3.29Å; H427-Y452 PolarHBondContact ND1-N 3.44Å; H427-N513 PolarHBondContact NE2-O 3.36Å
428	V	92.5	Very high	85.5	Confident	55 Å²	55	65.4 Å²	65.4	33%	0.333	32%	0.322	S	S	.	.	H	α-helix	trans	-58.5	-43.5	177.3	172.6	0	0	0	0	110.8	L424 F431 G432 I515	L424-V428 HydrophobicContact CD1-CG2 4.09Å; L424-V428 WeakPolarHBondContact O-CG2 3.39Å; L424-V428 PolarHBondContact O-N 2.75Å; V428-F431 PolarHBondContact O-N 3.15Å; V428-G432 PolarHBondContact O-N 2.69Å; V428-I515 HydrophobicContact CG2-CD1 4.45Å
429	K	92.4	Very high	82.8	Confident	139 Å²	139	70.4 Å²	70.4	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-61.4	-49.5	175.4	-176	179.3	175.7	-177.4	0	112.2	D425 H427 F431 G432 E433	D425-K429 WeakPolarHBondContact O-CB 3.43Å; D425-K429 PolarHBondContact O-N 3.42Å; D425-K429 VanDerWaalsContact O-N 3.1Å; H427-K429 VanDerWaalsContact C-N 3.3Å; H427-K429 PolarHBondContact O-N 2.94Å; K429-F431 VanDerWaalsContact C-N 3.28Å; K429-F431 PolarHBondContact O-N 3.3Å; K429-G432 PolarHBondContact O-N 2.98Å; K429-E433 WeakPolarHBondContact CE-OE1 3.36Å; K429-E433 WeakPolarHBondContact O-CG 3.23Å; K429-E433 PolarHBondContact O-N 3.47Å; K429-E433 VanDerWaalsContact O-N 3.1Å
430	W	93.3	Very high	79.9	Confident	46 Å²	46	78.8 Å²	78.8	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-60.5	-39.3	177.7	174.1	95.9	0	0	0	111.8	T426 H427 E433 N434 Y452 V469	T426-W430 VanDerWaalsContact O-CB 3.27Å; T426-W430 WeakPolarHBondContact O-CB 3.11Å; T426-W430 PolarHBondContact O-N 3.27Å; H427-W430 PolarHBondContact O-N 3.36Å; W430-E433 PolarHBondContact O-N 3.4Å; W430-N434 PolarHBondContact NE1-ND2 2.86Å; W430-N434 WeakPolarHBondContact O-CB 3.33Å; W430-N434 PolarHBondContact O-N 2.86Å; W430-N434 PolarHBondContact O-ND2 3.36Å; W430-Y452 HydrophobicContact CB-CD1 3.75Å; W430-Y452 HydrophobicContact CB-CD2 4.27Å; W430-Y452 HydrophobicContact CB-CE1 4.18Å; W430-Y452 HydrophobicContact CB-CG 3.79Å; W430-Y452 AromaticContact CD1-CD2 3.27Å; W430-Y452 AromaticContact CD1-CE2 3.41Å; W430-Y452 VanDerWaalsContact CD1-CE2 3.41Å; W430-Y452 AromaticContact CD1-CG 3.71Å; W430-Y452 AromaticContact CD1-CZ 3.95Å; W430-Y452 AromaticContact CD2-CD2 3.75Å; W430-Y452 HydrophobicContact CD2-CD2 3.75Å; W430-Y452 AromaticContact CD2-CG 3.71Å; W430-Y452 HydrophobicContact CD2-CG 3.71Å; W430-Y452 AromaticContact CE2-CD2 3.68Å; W430-Y452 HydrophobicContact CE3-CG 4.26Å; W430-Y452 AromaticContact CG-CD1 3.93Å; W430-Y452 HydrophobicContact CG-CD1 3.93Å; W430-Y452 AromaticContact CG-CD2 3.53Å; W430-Y452 HydrophobicContact CG-CD2 3.53Å; W430-Y452 HydrophobicContact CG-CE1 4.39Å; W430-Y452 HydrophobicContact CG-CE2 4.03Å; W430-Y452 AromaticContact CG-CG 3.46Å; W430-Y452 HydrophobicContact CG-CG 3.46Å; W430-Y452 VanDerWaalsContact CG-CG 3.46Å; W430-Y452 AromaticContact NE1-CD2 3.34Å; W430-Y452 VanDerWaalsContact NE1-CD2 3.34Å; W430-Y452 AromaticContact NE1-CE2 3.67Å; W430-V469 HydrophobicContact CH2-CG1 3.98Å; W430-V469 HydrophobicContact CH2-CG2 4.1Å; W430-V469 HydrophobicContact CZ2-CG1 4.25Å; W430-V469 HydrophobicContact CZ2-CG2 3.53Å
431	F	88.4	Confident	76.9	Confident	20 Å²	20	85.2 Å²	85.2	9%	0.088	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-46.1	-179.6	-166	-87.8	0	0	0	110.7	H427 V428 K429 E433 N434 N435 E512 N513 D514	H427-F431 VanDerWaalsContact O-CB 3.26Å; H427-F431 WeakPolarHBondContact O-CB 3.33Å; H427-F431 PolarHBondContact O-N 3Å; V428-F431 PolarHBondContact O-N 3.15Å; K429-F431 VanDerWaalsContact C-N 3.28Å; K429-F431 PolarHBondContact O-N 3.3Å; F431-E433 PolarHBondContact O-N 3.33Å; F431-N434 PolarHBondContact O-N 3.07Å; F431-N435 HydrophobicContact CD1-CB 4.22Å; F431-N435 VanDerWaalsContact CD1-ND2 3.32Å; F431-N435 WeakPolarHBondContact CD1-ND2 3.44Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.47Å; F431-N435 HydrophobicContact CE1-CB 3.98Å; F431-N435 WeakPolarHBondContact CE1-ND2 3.38Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.07Å; F431-N435 WeakPolarHBondContact CG-ND2 3.15Å; F431-N435 HydrophobicContact CZ-CB 4.37Å; F431-N435 WeakPolarHBondContact CZ-ND2 3.42Å; F431-N435 VanDerWaalsContact O-CB 3.3Å; F431-N435 WeakPolarHBondContact O-CB 3.37Å; F431-N435 PolarHBondContact O-N 3.49Å; F431-N435 PolarHBondContact O-ND2 2.67Å; F431-E512 WeakPolarHBondContact CE1-O 3.22Å; F431-N513 HydrophobicContact CD1-CB 4.48Å; F431-D514 HydrophobicContact CD2-CB 4.27Å; F431-D514 HydrophobicContact CE2-CB 3.53Å; F431-D514 VanDerWaalsContact CE2-CG 3.41Å; F431-D514 WeakPolarHBondContact CE2-OD2 3.16Å; F431-D514 HydrophobicContact CZ-CB 4.13Å
432	G	87.2	Confident	74	Confident	33 Å²	33	86 Å²	86	34%	0.34	44%	0.436	S	S	.	.	H	α-helix	trans	-58.7	-45.5	174.5	0	0	0	0	0	112.7	V428 K429 N434 L436	V428-G432 PolarHBondContact O-N 2.69Å; K429-G432 PolarHBondContact O-N 2.98Å; G432-N434 PolarHBondContact O-N 2.73Å; G432-L436 WeakPolarHBondContact O-CB 3.49Å; G432-L436 VanDerWaalsContact O-CD1 3.25Å; G432-L436 WeakPolarHBondContact O-CD1 3.42Å; G432-L436 WeakPolarHBondContact O-CG 3.36Å; G432-L436 PolarHBondContact O-N 2.87Å
433	E	87.9	Confident	71.2	Confident	110 Å²	110	89.6 Å²	89.6	51%	0.514	47%	0.468	S	S	.	.	H	α-helix	trans	-67.4	-34	-179.4	-70.5	175.1	-172.7	0	0	113.4	K429 W430 F431	K429-E433 WeakPolarHBondContact CE-OE1 3.36Å; K429-E433 WeakPolarHBondContact O-CG 3.23Å; K429-E433 PolarHBondContact O-N 3.47Å; K429-E433 VanDerWaalsContact O-N 3.1Å; W430-E433 PolarHBondContact O-N 3.4Å; F431-E433 PolarHBondContact O-N 3.33Å
434	N	81.2	Confident	68.8	Low	59 Å²	59	90.3 Å²	90.3	32%	0.316	48%	0.476	S	S	.	.	H	α-helix	trans	-97	-28.6	-174.4	-71.4	-58.9	0	0	0	114.6	W430 F431 G432	W430-N434 PolarHBondContact NE1-ND2 2.86Å; W430-N434 WeakPolarHBondContact O-CB 3.33Å; W430-N434 PolarHBondContact O-N 2.86Å; W430-N434 PolarHBondContact O-ND2 3.36Å; F431-N434 PolarHBondContact O-N 3.07Å; G432-N434 PolarHBondContact O-N 2.73Å
435	N	69.1	Low	66.9	Low	43 Å²	43	90.4 Å²	90.4	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-86.6	-18.6	178.2	-74.3	-63.7	0	0	0	114.1	F431 K437 K438	F431-N435 HydrophobicContact CD1-CB 4.22Å; F431-N435 VanDerWaalsContact CD1-ND2 3.32Å; F431-N435 WeakPolarHBondContact CD1-ND2 3.44Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.47Å; F431-N435 HydrophobicContact CE1-CB 3.98Å; F431-N435 WeakPolarHBondContact CE1-ND2 3.38Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.07Å; F431-N435 WeakPolarHBondContact CG-ND2 3.15Å; F431-N435 HydrophobicContact CZ-CB 4.37Å; F431-N435 WeakPolarHBondContact CZ-ND2 3.42Å; F431-N435 VanDerWaalsContact O-CB 3.3Å; F431-N435 WeakPolarHBondContact O-CB 3.37Å; F431-N435 PolarHBondContact O-N 3.49Å; F431-N435 PolarHBondContact O-ND2 2.67Å; N435-K437 PolarHBondContact O-N 2.86Å; N435-K437 VanDerWaalsContact O-N 3.17Å; N435-K438 PolarHBondContact O-N 2.67Å; N435-K438 WeakPolarHBondContact OD1-CD 3.05Å
436	L	54.4	Low	65.3	Low	120 Å²	120	90 Å²	90	63%	0.628	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-58.7	-25.9	166.2	-76.8	170.5	0	0	0	112.3	G432 K438	G432-L436 WeakPolarHBondContact O-CB 3.49Å; G432-L436 VanDerWaalsContact O-CD1 3.25Å; G432-L436 WeakPolarHBondContact O-CD1 3.42Å; G432-L436 WeakPolarHBondContact O-CG 3.36Å; G432-L436 PolarHBondContact O-N 2.87Å; L436-K438 VanDerWaalsContact C-N 3.33Å
437	K	50.4	Low	64.6	Low	179 Å²	179	95.7 Å²	95.7	78%	0.778	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-81	-8.9	174.3	-62.6	179.4	-176.8	170.5	0	113.6	N435	N435-K437 PolarHBondContact O-N 2.86Å; N435-K437 VanDerWaalsContact O-N 3.17Å
438	K	50.5	Low	64.4	Low	131 Å²	131	98.6 Å²	98.6	57%	0.57	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-105.9	26.5	-177.3	-86.8	-178.6	176.4	174.3	0	113.7	N435 L436 K440	N435-K438 PolarHBondContact O-N 2.67Å; N435-K438 WeakPolarHBondContact OD1-CD 3.05Å; L436-K438 VanDerWaalsContact C-N 3.33Å; K438-K440 PolarHBondContact O-N 2.76Å
439	Q	37.9	Very low	64.3	Low	167 Å²	167	96.1 Å²	96.1	78%	0.78	50%	0.499	S	S	*	.			trans	-67.2	71.1	172.5	-69	-173.6	36.4	0	0	112.5
440	K	34.6	Very low	64.3	Low	177 Å²	177	90 Å²	90	77%	0.77	47%	0.474	S	S	*	.	S	Bend	trans	-154.8	115.5	155.4	-118.5	177.4	179.8	177.6	0	105.3	K438 S442	K438-K440 PolarHBondContact O-N 2.76Å; K440-S442 PolarHBondContact O-N 2.8Å
441	P	34.5	Very low	64.3	Low	134 Å²	134	87.9 Å²	87.9	87%	0.87	47%	0.466	S	S	*	.			trans	-69.7	84	173.4	29.3	-30.3	0	0	0	107.3
442	S	35.2	Very low	64.7	Low	69 Å²	69	88.4 Å²	88.4	48%	0.483	47%	0.468	S	S	.	.			trans	-71.9	135.3	162.7	61.1	0	0	0	0	106.7	K440 S444 S445	K440-S442 PolarHBondContact O-N 2.8Å; S442-S444 PolarHBondContact O-N 2.89Å; S442-S444 PolarHBondContact OG-OG 2.89Å; S442-S445 PolarHBondContact O-N 2.85Å
443	S	37.8	Very low	65.2	Low	122 Å²	122	86.9 Å²	86.9	85%	0.853	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	0.2	-179.7	57.8	0	0	0	0	115.9
444	S	43.2	Very low	65.5	Low	62 Å²	62	81.7 Å²	81.7	43%	0.434	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.1	177.4	65.6	0	0	0	0	115	S442 N446	S442-S444 PolarHBondContact O-N 2.89Å; S442-S444 PolarHBondContact OG-OG 2.89Å; S444-N446 PolarHBondContact O-N 3.32Å
445	S	54.1	Low	66.1	Low	86 Å²	86	85.6 Å²	85.6	60%	0.601	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-68.2	-22.8	179.2	80.4	0	0	0	0	112.6	S442 R447	S442-S445 PolarHBondContact O-N 2.85Å; S445-R447 PolarHBondContact O-N 3.02Å; S445-R447 VanDerWaalsContact O-N 3.14Å
446	N	59.6	Low	67.4	Low	116 Å²	116	83.8 Å²	83.8	62%	0.62	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-76.9	2.7	-176.8	-125	24.8	0	0	0	114.5	S444	S444-N446 PolarHBondContact O-N 3.32Å
447	R	78.5	Confident	69.4	Low	142 Å²	142	81.5 Å²	81.5	54%	0.536	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-126.3	-0.7	-173.2	-63.6	-171.5	-176.9	-174.7	-0.5	114.6	S445 K473 C474 I507	S445-R447 PolarHBondContact O-N 3.02Å; S445-R447 VanDerWaalsContact O-N 3.14Å; R447-K473 WeakPolarHBondContact O-CA 3.05Å; R447-C474 PolarHBondContact O-N 3.41Å; R447-I507 WeakPolarHBondContact O-CD1 3.44Å
448	Q	89	Confident	71.5	Confident	61 Å²	61	77.4 Å²	77.4	29%	0.285	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	150.2	177.6	69.8	178.9	8.7	0	0	112.3	I472 K473	Q448-I472 CarbonylContact C-O 3.55Å; Q448-I472 WeakPolarHBondContact CA-O 3.48Å; Q448-I472 WeakPolarHBondContact CB-O 3.48Å; Q448-K473 HydrophobicContact CB-CB 4.36Å; Q448-K473 HydrophobicContact CB-CG 3.73Å
449	I	90.3	Very high	73.5	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.9	169.5	58.5	169.3	0	0	0	110.2	K471 I472 I507 A510 D514 L516	I449-K471 CarbonylContact O-C 3.53Å; I449-K471 WeakPolarHBondContact O-CA 3.46Å; I449-I472 HydrophobicContact CD1-CB 4.07Å; I449-I472 HydrophobicContact CD1-CG1 4.12Å; I449-I472 HydrophobicContact CG1-CB 3.63Å; I449-I472 HydrophobicContact CG1-CG1 4.04Å; I449-I472 PolarHBondContact N-O 2.94Å; I449-I472 PolarHBondContact O-N 3.49Å; I449-I507 HydrophobicContact CG2-CG2 4.23Å; I449-A510 HydrophobicContact CG2-CB 3.75Å; I449-D514 WeakPolarHBondContact CA-OD2 3.46Å; I449-D514 HydrophobicContact CB-CB 3.8Å; I449-D514 WeakPolarHBondContact CD1-O 3.19Å; I449-D514 HydrophobicContact CG2-CB 4.11Å; I449-L516 HydrophobicContact CD1-CD1 3.8Å; I449-L516 HydrophobicContact CD1-CD2 4.07Å; I449-L516 HydrophobicContact CD1-CG 3.63Å
450	S	93	Very high	76	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.063	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	107.2	-176.1	-57	0	0	0	0	111.6	H427 D514	H427-S450 PolarHBondContact CE1-O 3.35Å; H427-S450 VanDerWaalsContact CE1-O 3.29Å; S450-D514 PolarHBondContact N-OD2 3.04Å
451	L	93.9	Very high	78.4	Confident	3 Å²	3	67 Å²	67	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.7	180	-58.5	176.4	0	0	0	110.6	F398 W422 Y453 V469 V470 I472 D514	F398-L451 HydrophobicContact CD2-CD1 4.39Å; F398-L451 HydrophobicContact CE2-CD1 3.44Å; F398-L451 VanDerWaalsContact CE2-CD1 3.44Å; F398-L451 HydrophobicContact CZ-CD1 3.83Å; W422-L451 HydrophobicContact CH2-CD2 3.97Å; W422-L451 HydrophobicContact CZ3-CB 3.96Å; W422-L451 HydrophobicContact CZ3-CD2 4.17Å; L451-Y453 HydrophobicContact CB-CD2 4.46Å; L451-Y453 HydrophobicContact CB-CE2 3.89Å; L451-V469 CarbonylContact O-C 3.57Å; L451-V469 WeakPolarHBondContact O-CA 3.37Å; L451-V470 HydrophobicContact CB-CB 4.33Å; L451-V470 PolarHBondContact N-O 2.89Å; L451-V470 PolarHBondContact O-N 2.79Å; L451-I472 HydrophobicContact CD1-CG1 4.21Å; L451-D514 WeakPolarHBondContact CD2-O 3.36Å
452	Y	96.3	Very high	81.1	Confident	31 Å²	31	63 Å²	63	12%	0.122	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.7	-179.1	173.4	-99	0	0	0	111.4	H427 W430 E467 V469	H427-Y452 PolarHBondContact ND1-N 3.44Å; W430-Y452 HydrophobicContact CB-CD1 3.75Å; W430-Y452 HydrophobicContact CB-CD2 4.27Å; W430-Y452 HydrophobicContact CB-CE1 4.18Å; W430-Y452 HydrophobicContact CB-CG 3.79Å; W430-Y452 AromaticContact CD1-CD2 3.27Å; W430-Y452 AromaticContact CD1-CE2 3.41Å; W430-Y452 VanDerWaalsContact CD1-CE2 3.41Å; W430-Y452 AromaticContact CD1-CG 3.71Å; W430-Y452 AromaticContact CD1-CZ 3.95Å; W430-Y452 AromaticContact CD2-CD2 3.75Å; W430-Y452 HydrophobicContact CD2-CD2 3.75Å; W430-Y452 AromaticContact CD2-CG 3.71Å; W430-Y452 HydrophobicContact CD2-CG 3.71Å; W430-Y452 AromaticContact CE2-CD2 3.68Å; W430-Y452 HydrophobicContact CE3-CG 4.26Å; W430-Y452 AromaticContact CG-CD1 3.93Å; W430-Y452 HydrophobicContact CG-CD1 3.93Å; W430-Y452 AromaticContact CG-CD2 3.53Å; W430-Y452 HydrophobicContact CG-CD2 3.53Å; W430-Y452 HydrophobicContact CG-CE1 4.39Å; W430-Y452 HydrophobicContact CG-CE2 4.03Å; W430-Y452 AromaticContact CG-CG 3.46Å; W430-Y452 HydrophobicContact CG-CG 3.46Å; W430-Y452 VanDerWaalsContact CG-CG 3.46Å; W430-Y452 AromaticContact NE1-CD2 3.34Å; W430-Y452 VanDerWaalsContact NE1-CD2 3.34Å; W430-Y452 AromaticContact NE1-CE2 3.67Å; Y452-E467 HydrophobicContact CE2-CB 3.92Å; Y452-E467 HydrophobicContact CE2-CG 4.48Å; Y452-E467 WeakPolarHBondContact CE2-OE2 3.05Å; Y452-E467 PolarHBondContact OH-OE2 2.89Å; Y452-E467 VanDerWaalsContact OH-OE2 3.12Å; Y452-V469 HydrophobicContact CD2-CG2 4.38Å
453	Y	96.9	Very high	83.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.5	175.1	-71	-117.1	0	0	0	107.7	N399 V402 N421 W422 L451 V468 V470	N399-Y453 PolarHBondContact N-OH 3.01Å; V402-Y453 HydrophobicContact CG2-CD1 3.99Å; V402-Y453 HydrophobicContact CG2-CE1 4.31Å; V402-Y453 HydrophobicContact CG2-CG 4.17Å; N421-Y453 CarbonylContact O-C 3.6Å; N421-Y453 WeakPolarHBondContact O-CA 3.41Å; W422-Y453 HydrophobicContact CB-CD1 3.89Å; W422-Y453 HydrophobicContact CB-CE1 3.6Å; W422-Y453 HydrophobicContact CE3-CD1 4.5Å; W422-Y453 HydrophobicContact CE3-CD2 4.02Å; W422-Y453 HydrophobicContact CE3-CE1 4.17Å; W422-Y453 AromaticContact CE3-CE2 3.61Å; W422-Y453 HydrophobicContact CE3-CE2 3.61Å; W422-Y453 HydrophobicContact CE3-CG 4.42Å; W422-Y453 AromaticContact CE3-CZ 3.67Å; W422-Y453 HydrophobicContact CG-CE1 4.38Å; W422-Y453 HydrophobicContact CZ3-CE2 4.06Å; L451-Y453 HydrophobicContact CB-CD2 4.46Å; L451-Y453 HydrophobicContact CB-CE2 3.89Å; Y453-V468 HydrophobicContact CG-CG1 4.38Å; Y453-V468 PolarHBondContact N-O 3.44Å; Y453-V468 PolarHBondContact O-N 2.8Å; Y453-V470 HydrophobicContact CD2-CB 4.37Å; Y453-V470 HydrophobicContact CD2-CG2 3.73Å; Y453-V470 HydrophobicContact CE2-CB 4.14Å; Y453-V470 HydrophobicContact CE2-CG2 3.76Å
454	G	95.3	Very high	86.3	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-176.7	-175.1	0	0	0	0	0	113.1	N421 G456	N421-G454 PolarHBondContact N-O 3.3Å; N421-G454 PolarHBondContact O-N 3.22Å; N421-G454 VanDerWaalsContact O-N 3.1Å; G454-G456 VanDerWaalsContact C-N 3.3Å; G454-G456 PolarHBondContact O-N 3.44Å
455	R	94	Very high	88.8	Confident	140 Å²	140	68.9 Å²	68.9	53%	0.528	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.1	42.9	174.7	-51.4	-177.8	-175.9	119.9	-4	113	N421 D423 L465	N421-R455 PolarHBondContact ND2-O 2.97Å; D423-R455 IonicContact OD1-NH1 2.75Å; D423-R455 IonicContact OD2-CZ 3.78Å; D423-R455 IonicContact OD2-NH1 3.7Å; D423-R455 PolarHBondContact OD2-NH1 3.47Å; D423-R455 IonicContact OD2-NH2 3.07Å; R455-L465 HydrophobicContact CB-CD1 4.39Å
456	G	95.5	Very high	90.9	Very high	5 Å²	5	66.1 Å²	66.1	5%	0.052	32%	0.323	C	S	.	.			trans	-71.7	-170.1	167.4	0	0	0	0	0	112	R418 G454 L465 R466	R418-G456 CarbonylContact O-C 3.47Å; R418-G456 WeakPolarHBondContact O-CA 3.44Å; G454-G456 VanDerWaalsContact C-N 3.3Å; G454-G456 PolarHBondContact O-N 3.44Å; G456-L465 WeakPolarHBondContact O-CD2 3.25Å; G456-R466 WeakPolarHBondContact CA-O 3.04Å; G456-R466 PolarHBondContact N-O 2.75Å
457	D	96.1	Very high	92.6	Very high	72 Å²	72	63.5 Å²	63.5	39%	0.385	31%	0.307	S	S	.	.	S	Bend	trans	-67.6	151.9	-179.1	-68.9	-18.2	0	0	0	111.9	I417 R418 C459 R466	I417-D457 WeakPolarHBondContact CA-OD2 3.15Å; I417-D457 HydrophobicContact CG2-CB 4.24Å; R418-D457 HydrophobicContact CB-CB 4.46Å; R418-D457 WeakPolarHBondContact CB-OD1 3.42Å; R418-D457 PolarHBondContact N-OD2 3.37Å; R418-D457 PolarHBondContact O-N 2.79Å; D457-C459 PolarHBondContact O-N 3.28Å; D457-R466 WeakPolarHBondContact O-CG 3.27Å; D457-R466 PolarHBondContact O-N 3.44Å; D457-R466 PolarHBondContact O-NH1 2.67Å
458	L	95.5	Very high	93.4	Very high	94 Å²	94	56.8 Å²	56.8	49%	0.492	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	121.9	178.2	-175.2	67.7	0	0	0	110.9	T460 L465 R466	L458-T460 PolarHBondContact O-N 3.49Å; L458-L465 HydrophobicContact CB-CD2 4.36Å; L458-L465 HydrophobicContact CD1-CD2 4.3Å; L458-R466 PolarHBondContact O-NH1 3.16Å
459	C	92.7	Very high	93.7	Very high	1 Å²	1	55 Å²	55	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	110	171.2	-175.8	0	0	0	0	109.2	D457 E461 T462 N463 K464 R466 C492	D457-C459 PolarHBondContact O-N 3.28Å; C459-E461 PolarHBondContact O-N 2.91Å; C459-T462 WeakPolarHBondContact CB-OG1 3.5Å; C459-T462 PolarHBondContact O-N 3.48Å; C459-T462 PolarHBondContact SG-OG1 2.85Å; C459-N463 VanDerWaalsContact O-CA 3.25Å; C459-N463 WeakPolarHBondContact O-CA 3.33Å; C459-N463 PolarHBondContact O-N 2.82Å; C459-K464 WeakPolarHBondContact CB-O 3.26Å; C459-K464 PolarHBondContact N-O 3.21Å; C459-R466 HydrophobicContact CB-CG 4.35Å; C459-C492 HydrophobicContact CB-CB 3.44Å; C459-C492 VanDerWaalsContact CB-CB 3.44Å; C459-C492 WeakPolarHBondContact CB-SG 3.43Å; C459-C492 WeakPolarHBondContact SG-CB 3.36Å; C459-C492 CovalentContact SG-SG 2.02Å; C459-C492 PolarHBondContact SG-SG 2.79Å
460	T	89.8	Confident	93.9	Very high	125 Å²	125	54.8 Å²	54.8	77%	0.767	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.2	179.4	48.3	0	0	0	0	112.8	L458	L458-T460 PolarHBondContact O-N 3.49Å
461	E	85.6	Confident	93.9	Very high	131 Å²	131	57.5 Å²	57.5	61%	0.612	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-36.9	-177.5	-62.5	-175	-153.9	0	0	114	C459 K491	C459-E461 PolarHBondContact O-N 2.91Å; E461-K491 HydrophobicContact CB-CD 4.45Å; E461-K491 VanDerWaalsContact OE2-CD 3.25Å; E461-K491 WeakPolarHBondContact OE2-CD 3.42Å; E461-K491 VanDerWaalsContact OE2-CE 3.23Å; E461-K491 WeakPolarHBondContact OE2-CE 3.49Å; E461-K491 IonicContact OE2-NZ 3.25Å; E461-K491 PolarHBondContact OE2-NZ 3.47Å
462	T	90.1	Very high	93.8	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-10.4	-176.9	63.3	0	0	0	0	112.8	C459 K464 K491	C459-T462 WeakPolarHBondContact CB-OG1 3.5Å; C459-T462 PolarHBondContact O-N 3.48Å; C459-T462 PolarHBondContact SG-OG1 2.85Å; T462-K464 PolarHBondContact O-N 3.43Å; T462-K464 PolarHBondContact OG1-N 2.89Å; T462-K491 HydrophobicContact CG2-CB 3.64Å; T462-K491 HydrophobicContact CG2-CD 4.41Å
463	N	91	Very high	93.5	Very high	129 Å²	129	58.2 Å²	58.2	69%	0.69	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	29.5	-170.4	-157.2	35.2	0	0	0	113.2	C459	C459-N463 VanDerWaalsContact O-CA 3.25Å; C459-N463 WeakPolarHBondContact O-CA 3.33Å; C459-N463 PolarHBondContact O-N 2.82Å
464	K	92.6	Very high	93.1	Very high	152 Å²	152	59.1 Å²	59.1	66%	0.661	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.3	175.9	-66.2	-178.9	179.7	-177.2	0	110.1	C459 T462	C459-K464 WeakPolarHBondContact CB-O 3.26Å; C459-K464 PolarHBondContact N-O 3.21Å; T462-K464 PolarHBondContact O-N 3.43Å; T462-K464 PolarHBondContact OG1-N 2.89Å
465	L	96.1	Very high	92.5	Very high	97 Å²	97	61.2 Å²	61.2	51%	0.508	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.6	169.6	-58.9	179.4	0	0	0	109	R455 G456 L458	R455-L465 HydrophobicContact CB-CD1 4.39Å; G456-L465 WeakPolarHBondContact O-CD2 3.25Å; L458-L465 HydrophobicContact CB-CD2 4.36Å; L458-L465 HydrophobicContact CD1-CD2 4.3Å
466	R	96.9	Very high	91.5	Very high	27 Å²	27	61.1 Å²	61.1	10%	0.102	31%	0.31	C	S	.	.			trans	-60.8	148.7	174.6	-74.1	174.9	178.3	83.8	-2.8	111.1	L419 G456 D457 L458 C459 C492 Y494	L419-R466 CarbonylContact O-C 3.53Å; L419-R466 WeakPolarHBondContact O-CB 3.28Å; L419-R466 VanDerWaalsContact O-O 3.13Å; G456-R466 WeakPolarHBondContact CA-O 3.04Å; G456-R466 PolarHBondContact N-O 2.75Å; D457-R466 WeakPolarHBondContact O-CG 3.27Å; D457-R466 PolarHBondContact O-N 3.44Å; D457-R466 PolarHBondContact O-NH1 2.67Å; L458-R466 PolarHBondContact O-NH1 3.16Å; C459-R466 HydrophobicContact CB-CG 4.35Å; R466-C492 WeakPolarHBondContact CA-O 3.45Å; R466-C492 HydrophobicContact CG-CB 3.78Å; R466-Y494 HydrophobicContact CB-CE2 4Å; R466-Y494 HydrophobicContact CG-CE2 3.82Å; R466-Y494 PolarHBondContact NE-OH 3.04Å
467	E	96.2	Very high	90.2	Very high	62 Å²	62	62.5 Å²	62.5	29%	0.29	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.9	176.1	64.5	-176.4	178.8	0	0	110.8	L419 Y452 C492 V493 Y494	L419-E467 WeakPolarHBondContact O-CA 3.3Å; L419-E467 PolarHBondContact O-N 3.31Å; Y452-E467 HydrophobicContact CE2-CB 3.92Å; Y452-E467 HydrophobicContact CE2-CG 4.48Å; Y452-E467 WeakPolarHBondContact CE2-OE2 3.05Å; Y452-E467 PolarHBondContact OH-OE2 2.89Å; Y452-E467 VanDerWaalsContact OH-OE2 3.12Å; E467-C492 PolarHBondContact N-O 3.12Å; E467-V493 HydrophobicContact CG-CB 4.28Å; E467-V493 HydrophobicContact CG-CG1 4.02Å; E467-V493 HydrophobicContact CG-CG2 4.02Å; E467-V493 WeakPolarHBondContact O-CA 3.26Å; E467-V493 WeakPolarHBondContact OE1-CG2 3.42Å; E467-Y494 VanDerWaalsContact O-CD2 3.32Å; E467-Y494 WeakPolarHBondContact O-CD2 3.06Å; E467-Y494 PolarHBondContact O-N 3.4Å
468	V	95.4	Very high	88.8	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.1	177.7	61.4	0	0	0	0	112.1	V402 L419 Y453 Y494 M496	V402-V468 HydrophobicContact CB-CG1 3.7Å; V402-V468 HydrophobicContact CG1-CG1 4.14Å; V402-V468 HydrophobicContact CG2-CG1 3.68Å; L419-V468 HydrophobicContact CB-CB 4.47Å; L419-V468 HydrophobicContact CB-CG1 4.29Å; Y453-V468 HydrophobicContact CG-CG1 4.38Å; Y453-V468 PolarHBondContact N-O 3.44Å; Y453-V468 PolarHBondContact O-N 2.8Å; V468-Y494 WeakPolarHBondContact CA-O 3.14Å; V468-M496 HydrophobicContact CG2-CB 4.33Å
469	V	95.3	Very high	87.4	Confident	23 Å²	23	62.1 Å²	62.1	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.7	170.9	-178	0	0	0	0	109	W430 L451 Y452 K471 Y494 S495 M496	W430-V469 HydrophobicContact CH2-CG1 3.98Å; W430-V469 HydrophobicContact CH2-CG2 4.1Å; W430-V469 HydrophobicContact CZ2-CG1 4.25Å; W430-V469 HydrophobicContact CZ2-CG2 3.53Å; L451-V469 CarbonylContact O-C 3.57Å; L451-V469 WeakPolarHBondContact O-CA 3.37Å; Y452-V469 HydrophobicContact CD2-CG2 4.38Å; V469-K471 HydrophobicContact CG1-CG 4.43Å; V469-Y494 PolarHBondContact N-O 2.76Å; V469-S495 WeakPolarHBondContact O-CA 3.38Å; V469-M496 PolarHBondContact O-N 3.38Å
470	V	94.5	Very high	86.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.7	176.2	179.1	0	0	0	0	108.9	I396 V402 L451 Y453 I472 M496 V498	I396-V470 HydrophobicContact CD1-CB 4.14Å; I396-V470 HydrophobicContact CD1-CG1 3.4Å; I396-V470 VanDerWaalsContact CD1-CG1 3.4Å; I396-V470 HydrophobicContact CD1-CG2 3.61Å; V402-V470 HydrophobicContact CG2-CG2 3.91Å; L451-V470 HydrophobicContact CB-CB 4.33Å; L451-V470 PolarHBondContact N-O 2.89Å; L451-V470 PolarHBondContact O-N 2.79Å; Y453-V470 HydrophobicContact CD2-CB 4.37Å; Y453-V470 HydrophobicContact CD2-CG2 3.73Å; Y453-V470 HydrophobicContact CE2-CB 4.14Å; Y453-V470 HydrophobicContact CE2-CG2 3.76Å; V470-I472 HydrophobicContact CG1-CD1 3.87Å; V470-M496 CarbonylContact C-O 3.54Å; V470-M496 WeakPolarHBondContact CA-O 3.38Å; V470-V498 HydrophobicContact CG1-CG2 4.02Å
471	K	92.7	Very high	85.4	Confident	65 Å²	65	63.2 Å²	63.2	28%	0.283	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.5	178.4	-64.9	171.2	-177.8	154.3	0	109.4	I449 V469 K473 S495 M496 S497 V498	I449-K471 CarbonylContact O-C 3.53Å; I449-K471 WeakPolarHBondContact O-CA 3.46Å; V469-K471 HydrophobicContact CG1-CG 4.43Å; K471-K473 HydrophobicContact CB-CG 4.43Å; K471-S495 WeakPolarHBondContact CE-OG 3.17Å; K471-S495 PolarHBondContact NZ-OG 3.38Å; K471-M496 PolarHBondContact N-O 2.78Å; K471-S497 CarbonylContact O-C 3.54Å; K471-S497 VanDerWaalsContact O-CA 3.24Å; K471-S497 WeakPolarHBondContact O-CA 3.47Å; K471-V498 PolarHBondContact O-N 3.05Å
472	I	91.4	Very high	85.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.2	170.9	-49.9	-58.8	0	0	0	107.3	F378 F398 Q448 I449 L451 V470 V498 F503	F378-I472 HydrophobicContact CE1-CD1 4.38Å; F398-I472 HydrophobicContact CE2-CD1 4.39Å; F398-I472 HydrophobicContact CE2-CG1 4.48Å; Q448-I472 CarbonylContact C-O 3.55Å; Q448-I472 WeakPolarHBondContact CA-O 3.48Å; Q448-I472 WeakPolarHBondContact CB-O 3.48Å; I449-I472 HydrophobicContact CD1-CB 4.07Å; I449-I472 HydrophobicContact CD1-CG1 4.12Å; I449-I472 HydrophobicContact CG1-CB 3.63Å; I449-I472 HydrophobicContact CG1-CG1 4.04Å; I449-I472 PolarHBondContact N-O 2.94Å; I449-I472 PolarHBondContact O-N 3.49Å; L451-I472 HydrophobicContact CD1-CG1 4.21Å; V470-I472 HydrophobicContact CG1-CD1 3.87Å; I472-V498 CarbonylContact C-O 3.47Å; I472-V498 WeakPolarHBondContact CA-O 3.04Å; I472-V498 HydrophobicContact CD1-CB 3.7Å; I472-V498 HydrophobicContact CD1-CG1 4.44Å; I472-V498 HydrophobicContact CD1-CG2 3.85Å; I472-F503 HydrophobicContact CG2-CB 4.04Å; I472-F503 HydrophobicContact CG2-CD1 3.56Å; I472-F503 HydrophobicContact CG2-CD2 3.52Å; I472-F503 HydrophobicContact CG2-CE1 3.8Å; I472-F503 HydrophobicContact CG2-CE2 3.78Å; I472-F503 HydrophobicContact CG2-CG 3.43Å; I472-F503 VanDerWaalsContact CG2-CG 3.43Å; I472-F503 HydrophobicContact CG2-CZ 3.91Å
473	K	89.3	Confident	84.6	Confident	50 Å²	50	57.4 Å²	57.4	22%	0.217	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.2	-174.2	-61	179	-169.9	159.4	0	112.6	R447 Q448 K471 L475 S497 V498 E499 S500 F503	R447-K473 WeakPolarHBondContact O-CA 3.05Å; Q448-K473 HydrophobicContact CB-CB 4.36Å; Q448-K473 HydrophobicContact CB-CG 3.73Å; K471-K473 HydrophobicContact CB-CG 4.43Å; K473-L475 PolarHBondContact O-N 2.9Å; K473-S497 PolarHBondContact NZ-OG 2.68Å; K473-V498 PolarHBondContact N-O 2.57Å; K473-E499 HydrophobicContact CB-CB 4.36Å; K473-E499 HydrophobicContact CB-CG 4.07Å; K473-E499 HydrophobicContact CD-CG 4.11Å; K473-E499 VanDerWaalsContact CD-OE1 3.29Å; K473-E499 WeakPolarHBondContact CD-OE1 3.49Å; K473-E499 IonicContact NZ-OE1 2.74Å; K473-E499 PolarHBondContact NZ-OE1 2.79Å; K473-E499 WeakPolarHBondContact O-CA 3.21Å; K473-S500 PolarHBondContact O-N 3.13Å; K473-F503 WeakPolarHBondContact O-CD2 3.44Å
474	C	88.6	Confident	84.3	Confident	18 Å²	18	53.5 Å²	53.5	12%	0.122	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117.7	169	159.4	0	0	0	0	109.7	R447 H476 C504 I507	R447-C474 PolarHBondContact O-N 3.41Å; C474-H476 VanDerWaalsContact SG-CE1 3.59Å; C474-C504 HydrophobicContact CB-CB 3.9Å; C474-C504 WeakPolarHBondContact CB-SG 3.19Å; C474-C504 VanDerWaalsContact SG-CA 3.51Å; C474-C504 WeakPolarHBondContact SG-CB 3.09Å; C474-C504 CovalentContact SG-SG 2.03Å; C474-C504 PolarHBondContact SG-SG 2.81Å; C474-I507 HydrophobicContact CB-CD1 3.84Å
475	L	82.5	Confident	83.6	Confident	46 Å²	46	48.6 Å²	48.6	24%	0.241	25%	0.253	C	S	.	.			trans	-98.7	121.7	172.8	-174.6	67.4	0	0	0	109.3	K473 S477 F483 E499 S500 A501	K473-L475 PolarHBondContact O-N 2.9Å; L475-S477 PolarHBondContact O-N 3.17Å; L475-F483 HydrophobicContact CD2-CD2 3.7Å; L475-F483 HydrophobicContact CD2-CE2 3.75Å; L475-E499 HydrophobicContact CB-CB 4.46Å; L475-S500 PolarHBondContact N-O 3.42Å; L475-S500 VanDerWaalsContact N-O 3.09Å; L475-A501 WeakPolarHBondContact O-CA 3.14Å; L475-A501 WeakPolarHBondContact O-CB 3.38Å
476	H	74.6	Confident	83	Confident	138 Å²	138	45.5 Å²	45.5	64%	0.639	24%	0.236	S	C	*	.			trans	-77.7	83	171.1	-72.9	63.8	0	0	0	108.7	C474	C474-H476 VanDerWaalsContact SG-CE1 3.59Å
477	S	68	Low	82.3	Confident	34 Å²	34	46.8 Å²	46.8	24%	0.238	25%	0.249	C	C	.	.			trans	-132.6	152.8	177.6	-174.4	0	0	0	0	109.2	L475 S479 A501	L475-S477 PolarHBondContact O-N 3.17Å; S477-S479 PolarHBondContact O-N 2.98Å; S477-S479 PolarHBondContact OG-N 2.92Å; S477-S479 VanDerWaalsContact OG-N 3.17Å; S477-A501 WeakPolarHBondContact O-CB 3.45Å
478	T	65.6	Low	81.9	Confident	145 Å²	145	47 Å²	47	89%	0.89	25%	0.249	S	C	*	.	S	Bend	trans	-74.2	-13.8	168.4	50.1	0	0	0	0	111.8
479	S	66.3	Low	81.1	Confident	13 Å²	13	51.3 Å²	51.3	9%	0.091	28%	0.277	C	S	.	.			trans	-82.2	136.6	175.2	165.4	0	0	0	0	111.5	S201 S477 D481 A501	S201-S479 WeakPolarHBondContact OG-CB 3.47Å; S201-S479 PolarHBondContact OG-OG 3.3Å; S477-S479 PolarHBondContact O-N 2.98Å; S477-S479 PolarHBondContact OG-N 2.92Å; S477-S479 VanDerWaalsContact OG-N 3.17Å; S479-D481 VanDerWaalsContact C-N 3.33Å; S479-D481 VanDerWaalsContact OG-CB 3.24Å; S479-D481 WeakPolarHBondContact OG-CB 3.06Å; S479-D481 PolarHBondContact OG-N 2.65Å; S479-D481 PolarHBondContact OG-OD2 3.33Å; S479-A501 WeakPolarHBondContact O-CB 3.29Å
480	K	69.9	Low	80.7	Confident	108 Å²	108	54.1 Å²	54.1	47%	0.47	30%	0.295	S	S	.	.			trans	-90.2	1.9	173.4	-68.4	169.7	156.8	-169	0	112.7	D372 S500 M502	D372-K480 WeakPolarHBondContact OD1-CD 3.2Å; D372-K480 WeakPolarHBondContact OD1-CE 3.41Å; D372-K480 IonicContact OD1-NZ 2.91Å; D372-K480 PolarHBondContact OD1-NZ 3.26Å; D372-K480 IonicContact OD2-NZ 2.69Å; D372-K480 PolarHBondContact OD2-NZ 3.31Å; K480-S500 PolarHBondContact O-OG 3.47Å; K480-M502 HydrophobicContact CB-CE 4.12Å; K480-M502 HydrophobicContact CB-CG 4.45Å; K480-M502 HydrophobicContact CB-SD 4.49Å; K480-M502 HydrophobicContact CD-CE 3.74Å; K480-M502 HydrophobicContact CD-SD 4.47Å; K480-M502 HydrophobicContact CG-CE 3.85Å; K480-M502 HydrophobicContact CG-SD 4.05Å
481	D	70.1	Confident	80.4	Confident	41 Å²	41	57.3 Å²	57.3	22%	0.219	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.8	160.1	-178.9	-57.2	-42.4	0	0	0	111.4	S201 S479 F483 S500	S201-D481 PolarHBondContact OG-OD2 3.12Å; S201-D481 VanDerWaalsContact OG-OD2 3.08Å; S479-D481 VanDerWaalsContact C-N 3.33Å; S479-D481 VanDerWaalsContact OG-CB 3.24Å; S479-D481 WeakPolarHBondContact OG-CB 3.06Å; S479-D481 PolarHBondContact OG-N 2.65Å; S479-D481 PolarHBondContact OG-OD2 3.33Å; D481-F483 HydrophobicContact CB-CE2 4.02Å; D481-F483 HydrophobicContact CB-CZ 3.88Å; D481-S500 WeakPolarHBondContact O-CB 3.39Å; D481-S500 PolarHBondContact O-OG 2.97Å; D481-S500 VanDerWaalsContact O-OG 3.05Å
482	I	80.6	Confident	80.3	Confident	31 Å²	31	54.5 Å²	54.5	16%	0.159	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-103.9	122.7	174.3	-54.5	172.1	0	0	0	109.1	V375 L385 V498 E499	V375-I482 HydrophobicContact CB-CD1 4.47Å; V375-I482 HydrophobicContact CG2-CD1 3.64Å; V375-I482 HydrophobicContact CG2-CG1 3.66Å; L385-I482 HydrophobicContact CD1-CD1 4.09Å; L385-I482 HydrophobicContact CD1-CG2 3.72Å; L385-I482 HydrophobicContact CD2-CD1 3.99Å; I482-V498 HydrophobicContact CG2-CG1 3.41Å; I482-V498 VanDerWaalsContact CG2-CG1 3.41Å; I482-E499 WeakPolarHBondContact CA-O 3.37Å
483	F	79.2	Confident	80.4	Confident	26 Å²	26	56.5 Å²	56.5	11%	0.114	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	176.6	-59.6	-82.9	0	0	0	110.4	S201 V202 M367 L475 D481 V498 E499	S201-F483 VanDerWaalsContact CB-CZ 3.45Å; S201-F483 WeakPolarHBondContact O-CZ 3.37Å; V202-F483 HydrophobicContact CG2-CD1 4.43Å; V202-F483 HydrophobicContact CG2-CE1 3.8Å; M367-F483 HydrophobicContact CE-CE1 4.2Å; L475-F483 HydrophobicContact CD2-CD2 3.7Å; L475-F483 HydrophobicContact CD2-CE2 3.75Å; D481-F483 HydrophobicContact CB-CE2 4.02Å; D481-F483 HydrophobicContact CB-CZ 3.88Å; F483-V498 CarbonylContact O-C 3.57Å; F483-V498 WeakPolarHBondContact O-CA 3.47Å; F483-E499 HydrophobicContact CB-CB 4.25Å; F483-E499 PolarHBondContact N-O 3.27Å; F483-E499 PolarHBondContact O-N 2.94Å
484	L	84.1	Confident	80.5	Confident	47 Å²	47	54.5 Å²	54.5	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.6	173.3	-67.1	174.9	0	0	0	110.1	L385 T386 I396 S497 V498	L385-L484 HydrophobicContact CB-CD1 3.89Å; L385-L484 HydrophobicContact CB-CD2 4.38Å; L385-L484 HydrophobicContact CD1-CD2 4.3Å; T386-L484 WeakPolarHBondContact O-CD1 3.26Å; I396-L484 HydrophobicContact CG2-CD2 4.19Å; L484-S497 WeakPolarHBondContact CA-O 2.87Å; L484-V498 HydrophobicContact CD2-CB 4.25Å; L484-V498 HydrophobicContact CD2-CG1 4.03Å; L484-V498 HydrophobicContact CD2-CG2 3.76Å
485	S	78.8	Confident	80.6	Confident	49 Å²	49	54.1 Å²	54.1	34%	0.343	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.5	166.2	60.7	0	0	0	0	109.9	M496 S497	S485-M496 CarbonylContact O-C 3.59Å; S485-M496 VanDerWaalsContact O-CA 3.26Å; S485-M496 WeakPolarHBondContact O-CA 3.41Å; S485-S497 PolarHBondContact N-O 3.28Å; S485-S497 PolarHBondContact O-N 2.87Å; S485-S497 WeakPolarHBondContact OG-CB 3.5Å; S485-S497 PolarHBondContact OG-OG 3.08Å
486	F	83.5	Confident	80.9	Confident	33 Å²	33	52.1 Å²	52.1	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.1	-177.6	-176.4	-90.8	0	0	0	110.9	L389 Y394 L419 Y494 M496	L389-F486 HydrophobicContact CD2-CB 4.16Å; L389-F486 HydrophobicContact CD2-CD1 3.92Å; Y394-F486 HydrophobicContact CD1-CD1 4.14Å; Y394-F486 AromaticContact CD1-CD2 3.75Å; Y394-F486 HydrophobicContact CD1-CD2 3.75Å; Y394-F486 AromaticContact CD1-CE1 3.91Å; Y394-F486 HydrophobicContact CD1-CE1 3.91Å; Y394-F486 AromaticContact CD1-CE2 3.46Å; Y394-F486 HydrophobicContact CD1-CE2 3.46Å; Y394-F486 VanDerWaalsContact CD1-CE2 3.46Å; Y394-F486 HydrophobicContact CD1-CG 4.04Å; Y394-F486 AromaticContact CD1-CZ 3.51Å; Y394-F486 HydrophobicContact CD1-CZ 3.51Å; Y394-F486 HydrophobicContact CD2-CB 4.48Å; Y394-F486 HydrophobicContact CD2-CD1 4.2Å; Y394-F486 HydrophobicContact CD2-CG 4.17Å; Y394-F486 AromaticContact CE1-CD1 3.71Å; Y394-F486 HydrophobicContact CE1-CD1 3.71Å; Y394-F486 HydrophobicContact CE1-CD2 4.04Å; Y394-F486 AromaticContact CE1-CE1 3.17Å; Y394-F486 HydrophobicContact CE1-CE1 3.17Å; Y394-F486 AromaticContact CE1-CE2 3.53Å; Y394-F486 HydrophobicContact CE1-CE2 3.53Å; Y394-F486 HydrophobicContact CE1-CG 4.09Å; Y394-F486 AromaticContact CE1-CZ 3.01Å; Y394-F486 HydrophobicContact CE1-CZ 3.01Å; Y394-F486 AromaticContact CE2-CD1 3.76Å; Y394-F486 HydrophobicContact CE2-CD1 3.76Å; Y394-F486 AromaticContact CE2-CE1 3.98Å; Y394-F486 HydrophobicContact CE2-CE1 3.98Å; Y394-F486 HydrophobicContact CE2-CG 4.21Å; Y394-F486 HydrophobicContact CG-CD1 4.37Å; Y394-F486 HydrophobicContact CG-CD2 4.04Å; Y394-F486 HydrophobicContact CG-CE2 4.22Å; Y394-F486 HydrophobicContact CG-CG 4.08Å; Y394-F486 HydrophobicContact CG-CZ 4.45Å; Y394-F486 AromaticContact CZ-CD1 3.48Å; Y394-F486 VanDerWaalsContact CZ-CD1 3.48Å; Y394-F486 AromaticContact CZ-CE1 3.19Å; Y394-F486 AromaticContact CZ-CZ 3.62Å; Y394-F486 VanDerWaalsContact OH-CE1 3.28Å; Y394-F486 WeakPolarHBondContact OH-CE1 3.19Å; L419-F486 HydrophobicContact CD1-CE2 3.69Å; L419-F486 HydrophobicContact CD1-CZ 3.71Å; F486-Y494 AromaticContact CE1-CD1 3.79Å; F486-Y494 HydrophobicContact CE1-CD1 3.79Å; F486-Y494 HydrophobicContact CE1-CE1 4.39Å; F486-Y494 HydrophobicContact CE2-CD1 4.12Å; F486-Y494 HydrophobicContact CE2-CG 4.24Å; F486-Y494 AromaticContact CZ-CD1 3.17Å; F486-Y494 HydrophobicContact CZ-CD1 3.17Å; F486-Y494 AromaticContact CZ-CE1 3.93Å; F486-Y494 HydrophobicContact CZ-CE1 3.93Å; F486-Y494 AromaticContact CZ-CG 3.72Å; F486-Y494 HydrophobicContact CZ-CG 3.72Å; F486-M496 HydrophobicContact CD2-CB 4.17Å; F486-M496 HydrophobicContact CD2-CE 4.02Å
487	S	81.9	Confident	81.6	Confident	54 Å²	54	46 Å²	46	38%	0.378	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.2	176.5	58.7	0	0	0	0	110.5	P489 Y494 S495	S487-P489 WeakPolarHBondContact O-CD 3.08Å; S487-Y494 CarbonylContact O-C 3.57Å; S487-Y494 WeakPolarHBondContact O-CA 3.33Å; S487-S495 PolarHBondContact N-O 3.07Å; S487-S495 PolarHBondContact O-N 3.34Å; S487-S495 PolarHBondContact OG-O 2.74Å
488	E	87.6	Confident	82.7	Confident	65 Å²	65	44.4 Å²	44.4	30%	0.304	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	79.7	170.9	-173	-172.8	152.4	0	0	109.4	K127 T490 K491 C492 Y494	K127-E488 IonicContact NZ-OE1 3.98Å; K127-E488 PolarHBondContact NZ-OE1 2.95Å; K127-E488 IonicContact NZ-OE2 3.87Å; E488-T490 VanDerWaalsContact C-N 3.28Å; E488-T490 VanDerWaalsContact CG-O 3.29Å; E488-T490 WeakPolarHBondContact CG-O 3.44Å; E488-T490 PolarHBondContact O-N 3.43Å; E488-K491 VanDerWaalsContact OE1-CA 3.28Å; E488-K491 WeakPolarHBondContact OE1-CA 3.38Å; E488-C492 PolarHBondContact OE1-N 3.16Å; E488-Y494 HydrophobicContact CB-CD1 3.65Å; E488-Y494 HydrophobicContact CB-CE1 3.91Å; E488-Y494 VanDerWaalsContact CD-CE1 3.43Å; E488-Y494 HydrophobicContact CG-CD1 3.53Å; E488-Y494 HydrophobicContact CG-CE1 3.49Å; E488-Y494 VanDerWaalsContact CG-CE1 3.49Å; E488-Y494 HydrophobicContact CG-CG 4.46Å; E488-Y494 WeakPolarHBondContact OE2-CE1 3.49Å
489	P	79.1	Confident	83.7	Confident	91 Å²	91	39.6 Å²	39.6	59%	0.591	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	-35.7	-173.7	-25.5	34.7	0	0	0	114	S487 V493	S487-P489 WeakPolarHBondContact O-CD 3.08Å; P489-V493 VanDerWaalsContact CD-O 3.29Å; P489-V493 WeakPolarHBondContact CD-O 3.31Å
490	T	86.3	Confident	84.7	Confident	83 Å²	83	39 Å²	39	51%	0.509	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.3	172.6	56	0	0	0	0	109.1	E488 C492 V493	E488-T490 VanDerWaalsContact C-N 3.28Å; E488-T490 VanDerWaalsContact CG-O 3.29Å; E488-T490 WeakPolarHBondContact CG-O 3.44Å; E488-T490 PolarHBondContact O-N 3.43Å; T490-C492 PolarHBondContact O-N 2.85Å; T490-C492 VanDerWaalsContact O-N 3.09Å; T490-V493 PolarHBondContact O-N 3.34Å; T490-V493 VanDerWaalsContact OG1-CB 3.22Å; T490-V493 WeakPolarHBondContact OG1-CB 3.42Å; T490-V493 WeakPolarHBondContact OG1-CG2 3.47Å
491	K	89.3	Confident	85.4	Confident	66 Å²	66	34.9 Å²	34.9	29%	0.287	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	121.4	-176.3	-73.9	-169.9	176.5	-158.9	0	111.6	K127 E461 T462 E488 V493	K127-K491 HydrophobicContact CB-CD 4.29Å; K127-K491 HydrophobicContact CB-CG 4.32Å; K127-K491 HydrophobicContact CD-CD 4.25Å; K127-K491 HydrophobicContact CD-CG 3.46Å; K127-K491 VanDerWaalsContact CD-CG 3.46Å; K127-K491 WeakPolarHBondContact O-CE 3.46Å; K127-K491 PolarHBondContact O-NZ 3.4Å; E461-K491 HydrophobicContact CB-CD 4.45Å; E461-K491 VanDerWaalsContact OE2-CD 3.25Å; E461-K491 WeakPolarHBondContact OE2-CD 3.42Å; E461-K491 VanDerWaalsContact OE2-CE 3.23Å; E461-K491 WeakPolarHBondContact OE2-CE 3.49Å; E461-K491 IonicContact OE2-NZ 3.25Å; E461-K491 PolarHBondContact OE2-NZ 3.47Å; T462-K491 HydrophobicContact CG2-CB 3.64Å; T462-K491 HydrophobicContact CG2-CD 4.41Å; E488-K491 VanDerWaalsContact OE1-CA 3.28Å; E488-K491 WeakPolarHBondContact OE1-CA 3.38Å; K491-V493 PolarHBondContact O-N 2.73Å
492	C	90.5	Very high	86.1	Confident	7 Å²	7	34.9 Å²	34.9	5%	0.047	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	16.3	177.4	-65.7	0	0	0	0	115.7	C459 R466 E467 E488 T490	C459-C492 HydrophobicContact CB-CB 3.44Å; C459-C492 VanDerWaalsContact CB-CB 3.44Å; C459-C492 WeakPolarHBondContact CB-SG 3.43Å; C459-C492 WeakPolarHBondContact SG-CB 3.36Å; C459-C492 CovalentContact SG-SG 2.02Å; C459-C492 PolarHBondContact SG-SG 2.79Å; R466-C492 WeakPolarHBondContact CA-O 3.45Å; R466-C492 HydrophobicContact CG-CB 3.78Å; E467-C492 PolarHBondContact N-O 3.12Å; E488-C492 PolarHBondContact OE1-N 3.16Å; T490-C492 PolarHBondContact O-N 2.85Å; T490-C492 VanDerWaalsContact O-N 3.09Å
493	V	92.7	Very high	86.4	Confident	42 Å²	42	33.4 Å²	33.4	26%	0.255	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.1	170	-179.4	0	0	0	0	107.4	E467 P489 T490 K491	E467-V493 HydrophobicContact CG-CB 4.28Å; E467-V493 HydrophobicContact CG-CG1 4.02Å; E467-V493 HydrophobicContact CG-CG2 4.02Å; E467-V493 WeakPolarHBondContact O-CA 3.26Å; E467-V493 WeakPolarHBondContact OE1-CG2 3.42Å; P489-V493 VanDerWaalsContact CD-O 3.29Å; P489-V493 WeakPolarHBondContact CD-O 3.31Å; T490-V493 PolarHBondContact O-N 3.34Å; T490-V493 VanDerWaalsContact OG1-CB 3.22Å; T490-V493 WeakPolarHBondContact OG1-CB 3.42Å; T490-V493 WeakPolarHBondContact OG1-CG2 3.47Å; K491-V493 PolarHBondContact O-N 2.73Å
494	Y	91.9	Very high	86.7	Confident	7 Å²	7	33.8 Å²	33.8	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	153.1	-170.2	-52.2	-84.3	0	0	0	111.3	L419 R466 E467 V468 V469 F486 S487 E488	L419-Y494 HydrophobicContact CB-CD2 4.09Å; L419-Y494 HydrophobicContact CB-CE2 4.36Å; L419-Y494 HydrophobicContact CD1-CD1 4.33Å; L419-Y494 HydrophobicContact CD1-CD2 4.13Å; L419-Y494 HydrophobicContact CD1-CE2 4.44Å; L419-Y494 HydrophobicContact CD1-CG 4.08Å; L419-Y494 HydrophobicContact CD2-CD2 4Å; L419-Y494 HydrophobicContact CD2-CE1 4.3Å; L419-Y494 HydrophobicContact CD2-CE2 3.53Å; L419-Y494 HydrophobicContact CG-CD2 4.3Å; L419-Y494 HydrophobicContact CG-CE2 4.32Å; R466-Y494 HydrophobicContact CB-CE2 4Å; R466-Y494 HydrophobicContact CG-CE2 3.82Å; R466-Y494 PolarHBondContact NE-OH 3.04Å; E467-Y494 VanDerWaalsContact O-CD2 3.32Å; E467-Y494 WeakPolarHBondContact O-CD2 3.06Å; E467-Y494 PolarHBondContact O-N 3.4Å; V468-Y494 WeakPolarHBondContact CA-O 3.14Å; V469-Y494 PolarHBondContact N-O 2.76Å; F486-Y494 AromaticContact CE1-CD1 3.79Å; F486-Y494 HydrophobicContact CE1-CD1 3.79Å; F486-Y494 HydrophobicContact CE1-CE1 4.39Å; F486-Y494 HydrophobicContact CE2-CD1 4.12Å; F486-Y494 HydrophobicContact CE2-CG 4.24Å; F486-Y494 AromaticContact CZ-CD1 3.17Å; F486-Y494 HydrophobicContact CZ-CD1 3.17Å; F486-Y494 AromaticContact CZ-CE1 3.93Å; F486-Y494 HydrophobicContact CZ-CE1 3.93Å; F486-Y494 AromaticContact CZ-CG 3.72Å; F486-Y494 HydrophobicContact CZ-CG 3.72Å; S487-Y494 CarbonylContact O-C 3.57Å; S487-Y494 WeakPolarHBondContact O-CA 3.33Å; E488-Y494 HydrophobicContact CB-CD1 3.65Å; E488-Y494 HydrophobicContact CB-CE1 3.91Å; E488-Y494 VanDerWaalsContact CD-CE1 3.43Å; E488-Y494 HydrophobicContact CG-CD1 3.53Å; E488-Y494 HydrophobicContact CG-CE1 3.49Å; E488-Y494 VanDerWaalsContact CG-CE1 3.49Å; E488-Y494 HydrophobicContact CG-CG 4.46Å; E488-Y494 WeakPolarHBondContact OE2-CE1 3.49Å
495	S	89.9	Confident	86.6	Confident	11 Å²	11	37.9 Å²	37.9	8%	0.077	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.5	168.3	-171.1	0	0	0	0	109.4	V469 K471 S487	V469-S495 WeakPolarHBondContact O-CA 3.38Å; K471-S495 WeakPolarHBondContact CE-OG 3.17Å; K471-S495 PolarHBondContact NZ-OG 3.38Å; S487-S495 PolarHBondContact N-O 3.07Å; S487-S495 PolarHBondContact O-N 3.34Å; S487-S495 PolarHBondContact OG-O 2.74Å
496	M	90	Very high	86.8	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.8	175.2	-178.7	178.2	-93.2	0	0	108.7	I396 V402 V468 V469 V470 K471 S485 F486	I396-M496 HydrophobicContact CB-CE 4.41Å; I396-M496 HydrophobicContact CB-SD 3.67Å; I396-M496 HydrophobicContact CD1-SD 3.92Å; I396-M496 HydrophobicContact CG1-SD 4.38Å; I396-M496 HydrophobicContact CG2-CE 4.46Å; I396-M496 HydrophobicContact CG2-SD 3.7Å; V402-M496 HydrophobicContact CG1-CE 4.27Å; V468-M496 HydrophobicContact CG2-CB 4.33Å; V469-M496 PolarHBondContact O-N 3.38Å; V470-M496 CarbonylContact C-O 3.54Å; V470-M496 WeakPolarHBondContact CA-O 3.38Å; K471-M496 PolarHBondContact N-O 2.78Å; S485-M496 CarbonylContact O-C 3.59Å; S485-M496 VanDerWaalsContact O-CA 3.26Å; S485-M496 WeakPolarHBondContact O-CA 3.41Å; F486-M496 HydrophobicContact CD2-CB 4.17Å; F486-M496 HydrophobicContact CD2-CE 4.02Å
497	S	88.6	Confident	87	Confident	10 Å²	10	35.3 Å²	35.3	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.8	167.9	-35.3	0	0	0	0	110.3	K471 K473 L484 S485	K471-S497 CarbonylContact O-C 3.54Å; K471-S497 VanDerWaalsContact O-CA 3.24Å; K471-S497 WeakPolarHBondContact O-CA 3.47Å; K473-S497 PolarHBondContact NZ-OG 2.68Å; L484-S497 WeakPolarHBondContact CA-O 2.87Å; S485-S497 PolarHBondContact N-O 3.28Å; S485-S497 PolarHBondContact O-N 2.87Å; S485-S497 WeakPolarHBondContact OG-CB 3.5Å; S485-S497 PolarHBondContact OG-OG 3.08Å
498	V	90.1	Very high	87.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.2	173.2	-167.6	0	0	0	0	106.5	F378 L385 I396 V470 K471 I472 K473 I482 F483 L484 F503	F378-V498 HydrophobicContact CE1-CG1 4.17Å; F378-V498 HydrophobicContact CZ-CG1 4.41Å; F378-V498 HydrophobicContact CZ-CG2 4.47Å; L385-V498 HydrophobicContact CD1-CG1 3.89Å; I396-V498 HydrophobicContact CD1-CG2 4.24Å; V470-V498 HydrophobicContact CG1-CG2 4.02Å; K471-V498 PolarHBondContact O-N 3.05Å; I472-V498 CarbonylContact C-O 3.47Å; I472-V498 WeakPolarHBondContact CA-O 3.04Å; I472-V498 HydrophobicContact CD1-CB 3.7Å; I472-V498 HydrophobicContact CD1-CG1 4.44Å; I472-V498 HydrophobicContact CD1-CG2 3.85Å; K473-V498 PolarHBondContact N-O 2.57Å; I482-V498 HydrophobicContact CG2-CG1 3.41Å; I482-V498 VanDerWaalsContact CG2-CG1 3.41Å; F483-V498 CarbonylContact O-C 3.57Å; F483-V498 WeakPolarHBondContact O-CA 3.47Å; L484-V498 HydrophobicContact CD2-CB 4.25Å; L484-V498 HydrophobicContact CD2-CG1 4.03Å; L484-V498 HydrophobicContact CD2-CG2 3.76Å; V498-F503 HydrophobicContact CB-CE2 4.41Å; V498-F503 HydrophobicContact CG1-CE2 3.89Å; V498-F503 HydrophobicContact CG1-CZ 3.95Å; V498-F503 WeakPolarHBondContact O-CE2 3.48Å
499	E	87.8	Confident	87	Confident	44 Å²	44	37.4 Å²	37.4	21%	0.206	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.1	-171	-38.5	-168.2	168.2	0	0	110.1	K473 L475 I482 F483	K473-E499 HydrophobicContact CB-CB 4.36Å; K473-E499 HydrophobicContact CB-CG 4.07Å; K473-E499 HydrophobicContact CD-CG 4.11Å; K473-E499 VanDerWaalsContact CD-OE1 3.29Å; K473-E499 WeakPolarHBondContact CD-OE1 3.49Å; K473-E499 IonicContact NZ-OE1 2.74Å; K473-E499 PolarHBondContact NZ-OE1 2.79Å; K473-E499 WeakPolarHBondContact O-CA 3.21Å; L475-E499 HydrophobicContact CB-CB 4.46Å; I482-E499 WeakPolarHBondContact CA-O 3.37Å; F483-E499 HydrophobicContact CB-CB 4.25Å; F483-E499 PolarHBondContact N-O 3.27Å; F483-E499 PolarHBondContact O-N 2.94Å
500	S	86.1	Confident	87.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	151.6	176.4	-176.3	0	0	0	0	109.9	K473 L475 K480 D481 M502 F503	K473-S500 PolarHBondContact O-N 3.13Å; L475-S500 PolarHBondContact N-O 3.42Å; L475-S500 VanDerWaalsContact N-O 3.09Å; K480-S500 PolarHBondContact O-OG 3.47Å; D481-S500 WeakPolarHBondContact O-CB 3.39Å; D481-S500 PolarHBondContact O-OG 2.97Å; D481-S500 VanDerWaalsContact O-OG 3.05Å; S500-M502 PolarHBondContact O-N 3.07Å; S500-M502 PolarHBondContact OG-N 3.21Å; S500-F503 PolarHBondContact O-N 3.16Å
501	A	86.3	Confident	87.2	Confident	22 Å²	22	33.7 Å²	33.7	18%	0.182	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.6	170.9	0	0	0	0	0	112.2	L475 S477 S479 F503 C504	L475-A501 WeakPolarHBondContact O-CA 3.14Å; L475-A501 WeakPolarHBondContact O-CB 3.38Å; S477-A501 WeakPolarHBondContact O-CB 3.45Å; S479-A501 WeakPolarHBondContact O-CB 3.29Å; A501-F503 PolarHBondContact O-N 2.69Å; A501-C504 VanDerWaalsContact O-CB 3.28Å; A501-C504 WeakPolarHBondContact O-CB 3.43Å; A501-C504 PolarHBondContact O-N 3.1Å; A501-C504 VanDerWaalsContact O-N 3.15Å; A501-C504 PolarHBondContact O-SG 2.91Å
502	M	84.4	Confident	87	Confident	41 Å²	41	38.8 Å²	38.8	20%	0.202	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.8	179.5	-61	-57	-136.8	0	0	113.4	D372 V375 K480 S500 C504	D372-M502 HydrophobicContact CB-CE 3.83Å; D372-M502 VanDerWaalsContact CG-CE 3.44Å; D372-M502 WeakPolarHBondContact OD1-CE 3.34Å; V375-M502 HydrophobicContact CB-CB 4.16Å; V375-M502 HydrophobicContact CB-CG 4.43Å; V375-M502 HydrophobicContact CG1-CB 3.94Å; V375-M502 HydrophobicContact CG2-CB 3.85Å; V375-M502 HydrophobicContact CG2-CG 3.89Å; K480-M502 HydrophobicContact CB-CE 4.12Å; K480-M502 HydrophobicContact CB-CG 4.45Å; K480-M502 HydrophobicContact CB-SD 4.49Å; K480-M502 HydrophobicContact CD-CE 3.74Å; K480-M502 HydrophobicContact CD-SD 4.47Å; K480-M502 HydrophobicContact CG-CE 3.85Å; K480-M502 HydrophobicContact CG-SD 4.05Å; S500-M502 PolarHBondContact O-N 3.07Å; S500-M502 PolarHBondContact OG-N 3.21Å; M502-C504 PolarHBondContact O-N 2.91Å
503	F	87	Confident	86.7	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-76.3	-12.5	177	-59.5	-49.1	0	0	0	113	V375 F378 L379 I472 K473 V498 S500 A501 D505 L506 I507	V375-F503 HydrophobicContact CG1-CD1 4.08Å; V375-F503 HydrophobicContact CG1-CE1 3.54Å; V375-F503 HydrophobicContact CG1-CZ 4.19Å; F378-F503 HydrophobicContact CE1-CZ 4.48Å; L379-F503 HydrophobicContact CD1-CE1 4.33Å; L379-F503 HydrophobicContact CD2-CE1 4.33Å; L379-F503 HydrophobicContact CG-CE1 4.48Å; I472-F503 HydrophobicContact CG2-CB 4.04Å; I472-F503 HydrophobicContact CG2-CD1 3.56Å; I472-F503 HydrophobicContact CG2-CD2 3.52Å; I472-F503 HydrophobicContact CG2-CE1 3.8Å; I472-F503 HydrophobicContact CG2-CE2 3.78Å; I472-F503 HydrophobicContact CG2-CG 3.43Å; I472-F503 VanDerWaalsContact CG2-CG 3.43Å; I472-F503 HydrophobicContact CG2-CZ 3.91Å; K473-F503 WeakPolarHBondContact O-CD2 3.44Å; V498-F503 HydrophobicContact CB-CE2 4.41Å; V498-F503 HydrophobicContact CG1-CE2 3.89Å; V498-F503 HydrophobicContact CG1-CZ 3.95Å; V498-F503 WeakPolarHBondContact O-CE2 3.48Å; S500-F503 PolarHBondContact O-N 3.16Å; A501-F503 PolarHBondContact O-N 2.69Å; F503-D505 VanDerWaalsContact C-N 3.28Å; F503-D505 PolarHBondContact O-N 3.19Å; F503-L506 HydrophobicContact CD1-CD1 4.35Å; F503-L506 PolarHBondContact O-N 3.17Å; F503-I507 HydrophobicContact CB-CD1 3.76Å; F503-I507 HydrophobicContact CB-CG1 4.18Å; F503-I507 WeakPolarHBondContact O-CB 3.39Å; F503-I507 WeakPolarHBondContact O-CD1 3.49Å; F503-I507 VanDerWaalsContact O-CG1 3.29Å; F503-I507 WeakPolarHBondContact O-CG1 3.37Å; F503-I507 PolarHBondContact O-N 2.66Å
504	C	85.4	Confident	86.4	Confident	33 Å²	33	39.8 Å²	39.8	22%	0.223	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-33.1	-178.3	-60.6	0	0	0	0	113	C474 A501 M502 P508	C474-C504 HydrophobicContact CB-CB 3.9Å; C474-C504 WeakPolarHBondContact CB-SG 3.19Å; C474-C504 VanDerWaalsContact SG-CA 3.51Å; C474-C504 WeakPolarHBondContact SG-CB 3.09Å; C474-C504 CovalentContact SG-SG 2.03Å; C474-C504 PolarHBondContact SG-SG 2.81Å; A501-C504 VanDerWaalsContact O-CB 3.28Å; A501-C504 WeakPolarHBondContact O-CB 3.43Å; A501-C504 PolarHBondContact O-N 3.1Å; A501-C504 VanDerWaalsContact O-N 3.15Å; A501-C504 PolarHBondContact O-SG 2.91Å; M502-C504 PolarHBondContact O-N 2.91Å; C504-P508 WeakPolarHBondContact O-CD 3.22Å; C504-P508 WeakPolarHBondContact O-CG 3.28Å
505	D	81.8	Confident	86.2	Confident	134 Å²	134	41 Å²	41	72%	0.717	23%	0.225	S	C	*	.	H	α-helix	trans	-85.9	-20.5	176.9	-62.8	-28.4	0	0	0	112.6	F503	F503-D505 VanDerWaalsContact C-N 3.28Å; F503-D505 PolarHBondContact O-N 3.19Å
506	L	83.7	Confident	85.9	Confident	20 Å²	20	41 Å²	41	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-93.2	-40.4	-174.6	-61.2	177.9	0	0	0	113.2	L379 F503 P508 L509 L516 V521	L379-L506 HydrophobicContact CD1-CD1 3.38Å; F503-L506 HydrophobicContact CD1-CD1 4.35Å; F503-L506 PolarHBondContact O-N 3.17Å; L506-P508 VanDerWaalsContact C-CD 3.47Å; L506-P508 VanDerWaalsContact C-N 3.33Å; L506-L509 HydrophobicContact CD2-CD1 4.4Å; L506-L509 VanDerWaalsContact O-CB 3.28Å; L506-L509 WeakPolarHBondContact O-CB 3.23Å; L506-L509 PolarHBondContact O-N 3.22Å; L506-L516 HydrophobicContact CB-CD2 4.33Å; L506-L516 WeakPolarHBondContact O-CD2 3.49Å; L506-V521 HydrophobicContact CD1-CG1 4.47Å; L506-V521 HydrophobicContact CD2-CB 4.46Å; L506-V521 HydrophobicContact CD2-CG1 3.88Å; L506-V521 HydrophobicContact CD2-CG2 3.73Å
507	I	86.8	Confident	85.2	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.041	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-54.9	-42.1	-179.3	-77	164.4	0	0	0	112.7	R447 I449 C474 F503 L509 A510	R447-I507 WeakPolarHBondContact O-CD1 3.44Å; I449-I507 HydrophobicContact CG2-CG2 4.23Å; C474-I507 HydrophobicContact CB-CD1 3.84Å; F503-I507 HydrophobicContact CB-CD1 3.76Å; F503-I507 HydrophobicContact CB-CG1 4.18Å; F503-I507 WeakPolarHBondContact O-CB 3.39Å; F503-I507 WeakPolarHBondContact O-CD1 3.49Å; F503-I507 VanDerWaalsContact O-CG1 3.29Å; F503-I507 WeakPolarHBondContact O-CG1 3.37Å; F503-I507 PolarHBondContact O-N 2.66Å; I507-L509 PolarHBondContact O-N 2.85Å; I507-L509 VanDerWaalsContact O-N 3.13Å; I507-A510 WeakPolarHBondContact O-CB 3.49Å; I507-A510 PolarHBondContact O-N 2.9Å; I507-A510 VanDerWaalsContact O-N 3.14Å
508	P	84.5	Confident	84.4	Confident	76 Å²	76	44.5 Å²	44.5	49%	0.494	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-63.3	-15.5	176	-24.3	35.8	0	0	0	114.8	C504 L506	C504-P508 WeakPolarHBondContact O-CD 3.22Å; C504-P508 WeakPolarHBondContact O-CG 3.28Å; L506-P508 VanDerWaalsContact C-CD 3.47Å; L506-P508 VanDerWaalsContact C-N 3.33Å
509	L	84	Confident	83.1	Confident	86 Å²	86	51 Å²	51	45%	0.45	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-87.5	-9.2	178.4	-55	176.8	0	0	0	113	L506 I507 P517	L506-L509 HydrophobicContact CD2-CD1 4.4Å; L506-L509 VanDerWaalsContact O-CB 3.28Å; L506-L509 WeakPolarHBondContact O-CB 3.23Å; L506-L509 PolarHBondContact O-N 3.22Å; I507-L509 PolarHBondContact O-N 2.85Å; I507-L509 VanDerWaalsContact O-N 3.13Å; L509-P517 HydrophobicContact CB-CG 4.12Å; L509-P517 WeakPolarHBondContact O-CD 3.46Å; L509-P517 WeakPolarHBondContact O-CG 3.49Å
510	A	85.4	Confident	81.4	Confident	24 Å²	24	56.4 Å²	56.4	20%	0.198	30%	0.301	C	S	.	.			trans	-61.4	145.3	179.5	0	0	0	0	0	111.4	I449 I507 I515 L516	I449-A510 HydrophobicContact CG2-CB 3.75Å; I507-A510 WeakPolarHBondContact O-CB 3.49Å; I507-A510 PolarHBondContact O-N 2.9Å; I507-A510 VanDerWaalsContact O-N 3.14Å; A510-I515 CarbonylContact C-O 3.54Å; A510-I515 VanDerWaalsContact CA-O 3.26Å; A510-I515 WeakPolarHBondContact CA-O 3.23Å; A510-L516 HydrophobicContact CB-CD2 4.07Å
511	D	85.5	Confident	79.6	Confident	73 Å²	73	59 Å²	59	39%	0.39	32%	0.316	S	S	.	.			trans	-74.7	-176.8	176.2	75.2	4.3	0	0	0	112.4	N513 D514 I515	D511-N513 PolarHBondContact O-N 3.37Å; D511-N513 WeakPolarHBondContact OD1-CA 3.37Å; D511-N513 WeakPolarHBondContact OD1-CB 3.44Å; D511-N513 PolarHBondContact OD1-N 3.19Å; D511-D514 PolarHBondContact O-N 2.96Å; D511-D514 VanDerWaalsContact O-N 3.09Å; D511-D514 PolarHBondContact OD1-N 2.79Å; D511-I515 PolarHBondContact N-O 3.31Å; D511-I515 WeakPolarHBondContact OD1-CB 3.49Å; D511-I515 PolarHBondContact OD1-N 2.82Å
512	E	84.4	Confident	79.3	Confident	173 Å²	173	60.9 Å²	60.9	81%	0.808	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.2	178.7	63.1	-172.2	-171.6	0	0	114.7	F431	F431-E512 WeakPolarHBondContact CE1-O 3.22Å
513	N	84.8	Confident	79	Confident	35 Å²	35	61.9 Å²	61.9	19%	0.187	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	16.7	177.5	-59.4	-64.2	0	0	0	112.6	H427 F431 D511 I515	H427-N513 PolarHBondContact NE2-O 3.36Å; F431-N513 HydrophobicContact CD1-CB 4.48Å; D511-N513 PolarHBondContact O-N 3.37Å; D511-N513 WeakPolarHBondContact OD1-CA 3.37Å; D511-N513 WeakPolarHBondContact OD1-CB 3.44Å; D511-N513 PolarHBondContact OD1-N 3.19Å; N513-I515 VanDerWaalsContact C-N 3.26Å; N513-I515 HydrophobicContact CB-CD1 3.95Å; N513-I515 HydrophobicContact CB-CG1 4.16Å; N513-I515 PolarHBondContact O-N 2.98Å
514	D	86.7	Confident	78.6	Confident	34 Å²	34	65.3 Å²	65.3	18%	0.182	35%	0.347	C	S	.	.	S	Bend	trans	65.2	22.3	-176.5	-85.4	3	0	0	0	113.9	F431 I449 S450 L451 D511	F431-D514 HydrophobicContact CD2-CB 4.27Å; F431-D514 HydrophobicContact CE2-CB 3.53Å; F431-D514 VanDerWaalsContact CE2-CG 3.41Å; F431-D514 WeakPolarHBondContact CE2-OD2 3.16Å; F431-D514 HydrophobicContact CZ-CB 4.13Å; I449-D514 WeakPolarHBondContact CA-OD2 3.46Å; I449-D514 HydrophobicContact CB-CB 3.8Å; I449-D514 WeakPolarHBondContact CD1-O 3.19Å; I449-D514 HydrophobicContact CG2-CB 4.11Å; S450-D514 PolarHBondContact N-OD2 3.04Å; L451-D514 WeakPolarHBondContact CD2-O 3.36Å; D511-D514 PolarHBondContact O-N 2.96Å; D511-D514 VanDerWaalsContact O-N 3.09Å; D511-D514 PolarHBondContact OD1-N 2.79Å
515	I	86.3	Confident	78.2	Confident	34 Å²	34	67.2 Å²	67.2	17%	0.174	36%	0.355	C	S	.	.			trans	-94.8	127.2	-179.3	-56.7	166.9	0	0	0	110.5	L424 V428 A510 D511 N513	L424-I515 HydrophobicContact CD1-CD1 3.4Å; V428-I515 HydrophobicContact CG2-CD1 4.45Å; A510-I515 CarbonylContact C-O 3.54Å; A510-I515 VanDerWaalsContact CA-O 3.26Å; A510-I515 WeakPolarHBondContact CA-O 3.23Å; D511-I515 PolarHBondContact N-O 3.31Å; D511-I515 WeakPolarHBondContact OD1-CB 3.49Å; D511-I515 PolarHBondContact OD1-N 2.82Å; N513-I515 VanDerWaalsContact C-N 3.26Å; N513-I515 HydrophobicContact CB-CD1 3.95Å; N513-I515 HydrophobicContact CB-CG1 4.16Å; N513-I515 PolarHBondContact O-N 2.98Å
516	L	84.4	Confident	77.9	Confident	11 Å²	11	63 Å²	63	6%	0.058	33%	0.332	C	S	.	.			trans	-77.6	129.9	175.4	-67.4	171.9	0	0	0	111.5	L379 F398 I449 L506 A510 L518	L379-L516 HydrophobicContact CD2-CD1 3.96Å; F398-L516 HydrophobicContact CZ-CD1 4.38Å; I449-L516 HydrophobicContact CD1-CD1 3.8Å; I449-L516 HydrophobicContact CD1-CD2 4.07Å; I449-L516 HydrophobicContact CD1-CG 3.63Å; L506-L516 HydrophobicContact CB-CD2 4.33Å; L506-L516 WeakPolarHBondContact O-CD2 3.49Å; A510-L516 HydrophobicContact CB-CD2 4.07Å; L516-L518 PolarHBondContact O-N 3.17Å
517	P	75.5	Confident	77.6	Confident	28 Å²	28	65.9 Å²	65.9	18%	0.182	35%	0.347	C	S	.	.			trans	-75.4	88.9	174.8	30.4	-33.8	0	0	0	110.4	L509 D519 K520 V521	L509-P517 HydrophobicContact CB-CG 4.12Å; L509-P517 WeakPolarHBondContact O-CD 3.46Å; L509-P517 WeakPolarHBondContact O-CG 3.49Å; P517-D519 WeakPolarHBondContact CB-OD1 3.4Å; P517-D519 PolarHBondContact O-N 3.08Å; P517-D519 VanDerWaalsContact O-N 3.15Å; P517-K520 HydrophobicContact CB-CB 4.31Å; P517-K520 HydrophobicContact CB-CD 4.07Å; P517-K520 HydrophobicContact CB-CG 4.19Å; P517-K520 HydrophobicContact CG-CB 4.34Å; P517-K520 HydrophobicContact CG-CD 4.18Å; P517-K520 PolarHBondContact O-N 3.5Å; P517-V521 WeakPolarHBondContact O-CG2 3.08Å
518	L	72	Confident	76.9	Confident	57 Å²	57	70 Å²	70	30%	0.298	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14	-178.2	-62.8	-179.3	0	0	0	114.1	L379 F398 L516 K520	L379-L518 HydrophobicContact CB-CD2 3.96Å; L379-L518 WeakPolarHBondContact O-CD1 3.2Å; F398-L518 HydrophobicContact CE1-CD1 4.16Å; F398-L518 HydrophobicContact CE1-CD2 4.13Å; L516-L518 PolarHBondContact O-N 3.17Å; L518-K520 VanDerWaalsContact C-N 3.28Å
519	D	63.5	Low	76.3	Confident	136 Å²	136	69.5 Å²	69.5	73%	0.727	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.4	172.8	62.5	-48.6	0	0	0	112.9	P517	P517-D519 WeakPolarHBondContact CB-OD1 3.4Å; P517-D519 PolarHBondContact O-N 3.08Å; P517-D519 VanDerWaalsContact O-N 3.15Å
520	K	50.4	Low	75.7	Confident	159 Å²	159	68.2 Å²	68.2	69%	0.691	35%	0.352	S	S	*	.			trans	-104.7	4.6	179.5	-61.1	-175.8	-177.3	175.2	0	113.4	P517 L518	P517-K520 HydrophobicContact CB-CB 4.31Å; P517-K520 HydrophobicContact CB-CD 4.07Å; P517-K520 HydrophobicContact CB-CG 4.19Å; P517-K520 HydrophobicContact CG-CB 4.34Å; P517-K520 HydrophobicContact CG-CD 4.18Å; P517-K520 PolarHBondContact O-N 3.5Å; L518-K520 VanDerWaalsContact C-N 3.28Å
521	V	49.1	Very low	74.8	Confident	54 Å²	54	72.2 Å²	72.2	33%	0.327	37%	0.366	S	S	.	.			trans	-121.6	0	-173.8	177.5	0	0	0	0	107.9	M376 L506 P517	M376-V521 HydrophobicContact CE-CB 4.32Å; M376-V521 HydrophobicContact CE-CG1 3.26Å; M376-V521 WeakPolarHBondContact CE-O 3.34Å; M376-V521 HydrophobicContact SD-CG1 3.61Å; L506-V521 HydrophobicContact CD1-CG1 4.47Å; L506-V521 HydrophobicContact CD2-CB 4.46Å; L506-V521 HydrophobicContact CD2-CG1 3.88Å; L506-V521 HydrophobicContact CD2-CG2 3.73Å; P517-V521 WeakPolarHBondContact O-CG2 3.08Å

Retrieved 521 of 521 residues in 693.2 ms (Link to these results)

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