A0A3Q0KQT7_SCHMA Loading...

Tyrosine kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 671 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	30.7	Very low	41.4	Very low	226 Å²	226	138.3 Å²	138.3	100%	1.113	67%	0.669	S	S	*	*				0	133.5	0	-104.3	-79.2	178.8	0	0	107.5
2	H	32.8	Very low	41.3	Very low	155 Å²	155	136.7 Å²	136.7	72%	0.718	66%	0.657	S	S	*	*			trans	81.3	104	-177.2	-65	-43.4	0	0	0	115.9
3	L	33.9	Very low	41.2	Very low	121 Å²	121	136.2 Å²	136.2	63%	0.634	66%	0.659	S	S	*	*				101.8	141.4	74.6	-93.2	170.3	0	0	0	106.3
4	F	36.1	Very low	40.7	Very low	177 Å²	177	134.2 Å²	134.2	78%	0.776	65%	0.652	S	S	*	*			cis	-146.8	132.2	15.4	-91.6	-91.7	0	0	0	105	S6	F4-S6 PolarHBondContact O-N 3.41Å
5	L	41.5	Very low	40.2	Very low	154 Å²	154	130.6 Å²	130.6	81%	0.806	65%	0.645	S	S	*	*			trans	-65.7	129.8	160.8	-84	158.5	0	0	0	107.4	D9	L5-D9 HydrophobicContact CD2-CB 4.16Å
6	S	46.7	Very low	39.9	Very low	55 Å²	55	131.1 Å²	131.1	39%	0.385	65%	0.649	S	S	.	*			trans	-71	154.8	-171.2	74.1	0	0	0	0	110.4	F4 R8 D9 L10	F4-S6 PolarHBondContact O-N 3.41Å; S6-R8 PolarHBondContact O-N 3.38Å; S6-R8 WeakPolarHBondContact OG-CB 3.39Å; S6-R8 PolarHBondContact OG-N 3.39Å; S6-D9 PolarHBondContact N-OD2 3.07Å; S6-D9 WeakPolarHBondContact O-CB 3.41Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 PolarHBondContact OG-OD2 3.43Å; S6-L10 PolarHBondContact O-N 2.83Å
7	I	46.8	Very low	39.3	Very low	138 Å²	138	129.8 Å²	129.8	71%	0.708	65%	0.65	S	S	*	*	H	α-helix	trans	-51.5	-27.5	171.7	-71	166.2	0	0	0	111.6	D9 L10 F11	I7-D9 VanDerWaalsContact C-N 3.29Å; I7-D9 PolarHBondContact O-N 2.8Å; I7-L10 PolarHBondContact O-N 2.99Å; I7-F11 HydrophobicContact CG2-CD2 4.17Å; I7-F11 PolarHBondContact O-N 3.41Å
8	R	47.2	Very low	38.7	Very low	178 Å²	178	127.8 Å²	127.8	67%	0.672	65%	0.65	S	S	*	*	H	α-helix	trans	-64.2	-33.7	175.6	-154	175.6	86.3	160.4	5.5	112.6	S6 K12	S6-R8 PolarHBondContact O-N 3.38Å; S6-R8 WeakPolarHBondContact OG-CB 3.39Å; S6-R8 PolarHBondContact OG-N 3.39Å; R8-K12 WeakPolarHBondContact O-CG 3.38Å; R8-K12 PolarHBondContact O-N 3.18Å
9	D	53.7	Low	38.3	Very low	63 Å²	63	125.7 Å²	125.7	34%	0.337	66%	0.655	S	S	.	*	H	α-helix	trans	-77.6	-32.3	178.9	-54.6	-46.2	0	0	0	110.9	L5 S6 I7 K12 L13	L5-D9 HydrophobicContact CD2-CB 4.16Å; S6-D9 PolarHBondContact N-OD2 3.07Å; S6-D9 WeakPolarHBondContact O-CB 3.41Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 PolarHBondContact OG-OD2 3.43Å; I7-D9 VanDerWaalsContact C-N 3.29Å; I7-D9 PolarHBondContact O-N 2.8Å; D9-K12 PolarHBondContact O-N 2.86Å; D9-L13 PolarHBondContact O-N 3.35Å; D9-L13 VanDerWaalsContact O-N 3.13Å
10	L	45.6	Very low	37.8	Very low	117 Å²	117	129 Å²	129	61%	0.613	66%	0.664	S	S	*	*	H	α-helix	trans	-68.4	-40.6	173.1	-143.6	90.2	0	0	0	112	S6 I7 K12 L13 L14	S6-L10 PolarHBondContact O-N 2.83Å; I7-L10 PolarHBondContact O-N 2.99Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 3Å; L10-L14 HydrophobicContact CD2-CD1 4.31Å; L10-L14 HydrophobicContact CG-CD1 4.5Å; L10-L14 PolarHBondContact O-N 2.95Å
11	F	40.5	Very low	37.3	Very low	137 Å²	137	128.7 Å²	128.7	60%	0.601	67%	0.672	S	S	*	*	H	α-helix	trans	-64.8	-36.4	175.5	-106.6	-85.9	0	0	0	112.3	I7 C15	I7-F11 HydrophobicContact CG2-CD2 4.17Å; I7-F11 PolarHBondContact O-N 3.41Å; F11-C15 WeakPolarHBondContact O-CB 3.37Å; F11-C15 PolarHBondContact O-N 3.31Å; F11-C15 PolarHBondContact O-SG 3.34Å
12	K	40.2	Very low	37.1	Very low	119 Å²	119	124 Å²	124	52%	0.517	66%	0.656	S	S	.	*	H	α-helix	trans	-65.2	-39.1	173.9	-78.2	-177.3	175.4	-169.7	0	112.1	R8 D9 L10 I16	R8-K12 WeakPolarHBondContact O-CG 3.38Å; R8-K12 PolarHBondContact O-N 3.18Å; D9-K12 PolarHBondContact O-N 2.86Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.36Å; K12-I16 VanDerWaalsContact O-CD1 3.24Å; K12-I16 WeakPolarHBondContact O-CD1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.35Å; K12-I16 PolarHBondContact O-N 3.36Å
13	L	40.3	Very low	37	Very low	131 Å²	131	122.8 Å²	122.8	69%	0.686	66%	0.662	S	S	*	*	H	α-helix	trans	-71.1	-36.5	179.1	-145.5	80	0	0	0	112.3	D9 L10	D9-L13 PolarHBondContact O-N 3.35Å; D9-L13 VanDerWaalsContact O-N 3.13Å; L10-L13 PolarHBondContact O-N 3Å
14	L	33.8	Very low	37.2	Very low	108 Å²	108	125.8 Å²	125.8	57%	0.565	67%	0.67	S	S	*	*	H	α-helix	trans	-70.7	-41.8	177.6	-87.6	151.9	0	0	0	112.6	L10 I16 T17	L10-L14 HydrophobicContact CD2-CD1 4.31Å; L10-L14 HydrophobicContact CG-CD1 4.5Å; L10-L14 PolarHBondContact O-N 2.95Å; L14-I16 VanDerWaalsContact C-N 3.27Å; L14-I16 PolarHBondContact O-N 3.29Å; L14-T17 PolarHBondContact O-N 3.13Å; L14-T17 PolarHBondContact O-OG1 3.02Å; L14-T17 VanDerWaalsContact O-OG1 3.13Å
15	C	33.6	Very low	37	Very low	80 Å²	80	127 Å²	127	54%	0.541	67%	0.67	S	S	.	*	H	α-helix	trans	-70.2	-19	-179.5	-70	0	0	0	0	114.2	F11 T17	F11-C15 WeakPolarHBondContact O-CB 3.37Å; F11-C15 PolarHBondContact O-N 3.31Å; F11-C15 PolarHBondContact O-SG 3.34Å; C15-T17 VanDerWaalsContact C-N 3.26Å; C15-T17 PolarHBondContact O-N 3.43Å
16	I	34.5	Very low	36.9	Very low	138 Å²	138	125.7 Å²	125.7	71%	0.708	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-16	179.6	-70.7	167.1	0	0	0	112	K12 L14	K12-I16 VanDerWaalsContact O-CD1 3.24Å; K12-I16 WeakPolarHBondContact O-CD1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.35Å; K12-I16 PolarHBondContact O-N 3.36Å; L14-I16 VanDerWaalsContact C-N 3.27Å; L14-I16 PolarHBondContact O-N 3.29Å
17	T	30.1	Very low	36.6	Very low	109 Å²	109	128 Å²	128	67%	0.669	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-0.9	-176.4	56.5	0	0	0	0	115.8	L14 C15	L14-T17 PolarHBondContact O-N 3.13Å; L14-T17 PolarHBondContact O-OG1 3.02Å; L14-T17 VanDerWaalsContact O-OG1 3.13Å; C15-T17 VanDerWaalsContact C-N 3.26Å; C15-T17 PolarHBondContact O-N 3.43Å
18	S	29.2	Very low	36.7	Very low	94 Å²	94	122.5 Å²	122.5	66%	0.657	65%	0.651	S	S	*	*	S	Bend	trans	-124	5.3	-174.6	69.3	0	0	0	0	117.5	F20	S18-F20 PolarHBondContact O-N 3.01Å
19	A	29.7	Very low	36.8	Very low	89 Å²	89	115.4 Å²	115.4	74%	0.736	63%	0.625	S	S	*	*			trans	-97	71.2	174.3	0	0	0	0	0	110.8	C21	A19-C21 PolarHBondContact O-N 3.13Å
20	F	28.3	Very low	36.8	Very low	190 Å²	190	119.9 Å²	119.9	83%	0.833	64%	0.637	S	S	*	*			trans	-57.8	127.2	164.9	-89.9	-89.1	0	0	0	109.7	S18 T22	S18-F20 PolarHBondContact O-N 3.01Å; F20-T22 PolarHBondContact O-N 3.25Å
21	C	27.5	Very low	37.2	Very low	124 Å²	124	115.2 Å²	115.2	84%	0.838	61%	0.612	S	S	*	*			trans	-46	115	176.5	-67.9	0	0	0	0	113.1	A19	A19-C21 PolarHBondContact O-N 3.13Å
22	T	26.5	Very low	38	Very low	128 Å²	128	111.3 Å²	111.3	79%	0.785	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-88.5	125	151.3	49.8	0	0	0	0	108.4	F20	F20-T22 PolarHBondContact O-N 3.25Å
23	P	31.5	Very low	38.7	Very low	129 Å²	129	112.5 Å²	112.5	84%	0.838	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-68.7	135.5	-173.5	-9.5	23.1	0	0	0	112.3
24	F	38.1	Very low	39.2	Very low	184 Å²	184	111.7 Å²	111.7	81%	0.807	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-78.2	151.9	-169.6	-145	-96.7	0	0	0	113.6	V28	F24-V28 HydrophobicContact CE1-CG2 4.2Å
25	R	32.5	Very low	40.1	Very low	202 Å²	202	109.3 Å²	109.3	76%	0.762	58%	0.584	S	S	*	*			trans	-108.4	143.1	-178.3	-73.2	-174.5	176.6	178.4	-0.7	112.8	D27	R25-D27 PolarHBondContact O-N 3.48Å
26	P	39.4	Very low	41.3	Very low	126 Å²	126	107 Å²	107	82%	0.818	57%	0.567	S	S	*	*	S	Bend	trans	-77.7	4.4	-167.7	-14.2	31.2	0	0	0	117.9	V28	P26-V28 VanDerWaalsContact C-N 3.35Å; P26-V28 PolarHBondContact O-N 3.21Å
27	D	39.3	Very low	42.6	Very low	103 Å²	103	103.3 Å²	103.3	55%	0.551	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	13.3	-163.7	-70.4	-53.2	0	0	0	116.4	R25 R30	R25-D27 PolarHBondContact O-N 3.48Å; D27-R30 IonicContact OD1-NH2 3.85Å
28	V	49	Very low	44	Very low	23 Å²	23	99.7 Å²	99.7	14%	0.139	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-25.7	-162.7	-177	0	0	0	0	115.1	F24 P26 S50 M148	F24-V28 HydrophobicContact CE1-CG2 4.2Å; P26-V28 VanDerWaalsContact C-N 3.35Å; P26-V28 PolarHBondContact O-N 3.21Å; V28-S50 WeakPolarHBondContact CA-OG 3.42Å; V28-S50 WeakPolarHBondContact CG1-OG 3.47Å; V28-S50 WeakPolarHBondContact O-CB 3.38Å; V28-S50 PolarHBondContact O-N 2.93Å; V28-S50 PolarHBondContact O-OG 3.21Å; V28-M148 HydrophobicContact CB-CE 3.74Å; V28-M148 HydrophobicContact CG1-CE 3.5Å
29	F	48.6	Very low	45.5	Very low	30 Å²	30	98.4 Å²	98.4	13%	0.132	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.1	-177	170.4	-92.6	0	0	0	111.9	F31 C47 L49 L58 F138 M148	F29-F31 HydrophobicContact CE1-CB 4.02Å; F29-F31 HydrophobicContact CZ-CB 4.23Å; F29-C47 WeakPolarHBondContact CE2-SG 3.22Å; F29-L49 HydrophobicContact CB-CD2 4.37Å; F29-L49 HydrophobicContact CD2-CD2 3.72Å; F29-L49 HydrophobicContact CD2-CG 4.36Å; F29-L58 HydrophobicContact CZ-CD1 4.5Å; F29-F138 HydrophobicContact CD2-CB 4.11Å; F29-F138 HydrophobicContact CE2-CB 3.44Å; F29-F138 VanDerWaalsContact CE2-CB 3.44Å; F29-F138 HydrophobicContact CE2-CD2 4.27Å; F29-F138 AromaticContact CE2-CG 3.97Å; F29-F138 HydrophobicContact CE2-CG 3.97Å; F29-F138 HydrophobicContact CZ-CB 3.96Å; F29-M148 HydrophobicContact CB-CB 3.92Å; F29-M148 HydrophobicContact CB-CE 4.12Å; F29-M148 HydrophobicContact CB-CG 3.75Å; F29-M148 HydrophobicContact CB-SD 3.36Å; F29-M148 WeakPolarHBondContact CB-SD 3.35Å; F29-M148 HydrophobicContact CD1-CB 3.79Å; F29-M148 HydrophobicContact CD2-CB 4.26Å; F29-M148 HydrophobicContact CD2-SD 4.11Å; F29-M148 HydrophobicContact CE1-CB 4.34Å; F29-M148 HydrophobicContact CG-CB 3.75Å; F29-M148 HydrophobicContact CG-CG 4.16Å; F29-M148 HydrophobicContact CG-SD 3.93Å
30	R	54	Low	47.1	Very low	156 Å²	156	95.2 Å²	95.2	59%	0.589	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	119.6	175.1	-71.1	-174.8	-177.2	176.4	1.2	110.6	D27 E48	D27-R30 IonicContact OD1-NH2 3.85Å; R30-E48 HydrophobicContact CB-CB 4.43Å; R30-E48 PolarHBondContact N-O 3.45Å; R30-E48 PolarHBondContact O-N 3.32Å
31	F	54.4	Low	48.6	Very low	19 Å²	19	89.9 Å²	89.9	8%	0.083	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.7	167.8	-174	-96.5	0	0	0	108.2	F29 Y33 F45 C47 L58 T150 M152	F29-F31 HydrophobicContact CE1-CB 4.02Å; F29-F31 HydrophobicContact CZ-CB 4.23Å; F31-Y33 PolarHBondContact O-N 3.03Å; F31-F45 HydrophobicContact CZ-CD1 4.06Å; F31-C47 HydrophobicContact CD2-CB 4.44Å; F31-L58 HydrophobicContact CE2-CD2 4.13Å; F31-T150 HydrophobicContact CB-CG2 3.7Å; F31-T150 HydrophobicContact CD1-CG2 3.99Å; F31-T150 HydrophobicContact CG-CG2 4Å; F31-M152 HydrophobicContact CE1-CB 4.12Å; F31-M152 HydrophobicContact CE1-CG 4.28Å; F31-M152 HydrophobicContact CE1-SD 3.69Å; F31-M152 HydrophobicContact CZ-SD 3.85Å
32	N	57.7	Low	50.4	Low	56 Å²	56	88.2 Å²	88.2	30%	0.299	45%	0.446	S	S	.	.			trans	-87.3	94.4	-178.7	-167.7	0.8	0	0	0	109.9	N34 D35	N32-N34 PolarHBondContact O-N 3.48Å; N32-N34 PolarHBondContact OD1-N 3.38Å; N32-D35 HydrophobicContact CB-CB 4.18Å; N32-D35 WeakPolarHBondContact CB-OD2 3.46Å; N32-D35 PolarHBondContact ND2-OD1 3.23Å; N32-D35 PolarHBondContact ND2-OD2 3.3Å; N32-D35 PolarHBondContact O-N 3.43Å
33	Y	54.1	Low	52.4	Low	144 Å²	144	82.7 Å²	82.7	57%	0.565	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.6	179.6	65.3	-89.3	0	0	0	113.1	F31 D35	F31-Y33 PolarHBondContact O-N 3.03Å; Y33-D35 PolarHBondContact O-N 3.38Å
34	N	51.2	Low	53.9	Low	113 Å²	113	77.6 Å²	77.6	60%	0.604	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-71.6	-14.4	175.5	-64.2	-50.1	0	0	0	113	N32	N32-N34 PolarHBondContact O-N 3.48Å; N32-N34 PolarHBondContact OD1-N 3.38Å
35	D	53.7	Low	55.4	Low	58 Å²	58	68.8 Å²	68.8	31%	0.31	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-98	12.2	-177.5	-69.5	-16	0	0	0	113.3	N32 Y33 V37 N46	N32-D35 HydrophobicContact CB-CB 4.18Å; N32-D35 WeakPolarHBondContact CB-OD2 3.46Å; N32-D35 PolarHBondContact ND2-OD1 3.23Å; N32-D35 PolarHBondContact ND2-OD2 3.3Å; N32-D35 PolarHBondContact O-N 3.43Å; Y33-D35 PolarHBondContact O-N 3.38Å; D35-V37 PolarHBondContact O-N 3.06Å; D35-V37 VanDerWaalsContact O-N 3.13Å; D35-N46 HydrophobicContact CB-CB 4.24Å; D35-N46 PolarHBondContact O-ND2 3.43Å
36	V	58.9	Low	56.9	Low	31 Å²	31	60.4 Å²	60.4	19%	0.188	31%	0.308	C	S	.	.			trans	-73.9	103.1	172.5	-178.3	0	0	0	0	108.7	Y43 L44 F45 M152 L154	V36-Y43 HydrophobicContact CG1-CD1 4.09Å; V36-L44 WeakPolarHBondContact CA-O 3.49Å; V36-F45 HydrophobicContact CB-CD1 4.45Å; V36-F45 HydrophobicContact CB-CE1 4.46Å; V36-F45 HydrophobicContact CG1-CD1 3.94Å; V36-F45 HydrophobicContact CG1-CE1 3.63Å; V36-F45 HydrophobicContact CG1-CZ 4.03Å; V36-F45 HydrophobicContact CG2-CD1 3.65Å; V36-F45 HydrophobicContact CG2-CE1 3.92Å; V36-M152 HydrophobicContact CG2-SD 3.92Å; V36-L154 HydrophobicContact CG1-CD1 4.02Å
37	V	61.9	Low	58	Low	61 Å²	61	54.4 Å²	54.4	37%	0.37	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.3	-174.9	179	0	0	0	0	110.3	D35 E39 Y43 L44	D35-V37 PolarHBondContact O-N 3.06Å; D35-V37 VanDerWaalsContact O-N 3.13Å; V37-E39 HydrophobicContact CG1-CG 4.32Å; V37-Y43 CarbonylContact O-C 3.57Å; V37-Y43 WeakPolarHBondContact O-CA 3.28Å; V37-L44 PolarHBondContact N-O 3Å; V37-L44 VanDerWaalsContact N-O 3.1Å; V37-L44 PolarHBondContact O-N 2.93Å
38	C	58.3	Low	58.9	Low	34 Å²	34	53.9 Å²	53.9	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.4	168.5	-166.5	0	0	0	0	110	Y42 Y43 C160	C38-Y42 CarbonylContact C-O 3.51Å; C38-Y42 WeakPolarHBondContact CA-O 3.24Å; C38-Y43 HydrophobicContact CB-CD1 4.19Å; C38-Y43 HydrophobicContact CB-CE1 3.85Å; C38-C160 HydrophobicContact CB-CB 4.29Å; C38-C160 PolarHBondContact O-SG 3.09Å; C38-C160 WeakPolarHBondContact SG-CB 3.39Å
39	E	61.1	Low	59.3	Low	67 Å²	67	53 Å²	53	31%	0.313	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	87	173.6	-72.8	-168.2	170.2	0	0	110.5	V37 D41 Y42	V37-E39 HydrophobicContact CG1-CG 4.32Å; E39-D41 PolarHBondContact O-N 2.93Å; E39-Y42 CarbonylContact C-O 3.47Å; E39-Y42 PolarHBondContact N-O 3.03Å; E39-Y42 PolarHBondContact O-N 3.01Å; E39-Y42 VanDerWaalsContact O-N 3.13Å
40	G	63.1	Low	59.5	Low	22 Å²	22	54.1 Å²	54.1	23%	0.227	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-113.8	-178.5	0	0	0	0	0	110.9
41	D	60.5	Low	59.4	Low	77 Å²	77	52.6 Å²	52.6	41%	0.412	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.4	176.2	-73.6	-44.8	0	0	0	113.4	E39 P125 K162	E39-D41 PolarHBondContact O-N 2.93Å; D41-P125 HydrophobicContact CB-CB 4.32Å; D41-P125 VanDerWaalsContact O-CA 3.23Å; D41-P125 WeakPolarHBondContact O-CA 3.19Å; D41-K162 WeakPolarHBondContact OD1-CE 3.32Å; D41-K162 IonicContact OD1-NZ 3.62Å; D41-K162 PolarHBondContact OD1-NZ 2.86Å; D41-K162 IonicContact OD2-NZ 3.4Å; D41-K162 PolarHBondContact OD2-NZ 3.37Å
42	Y	65.4	Low	58.9	Low	89 Å²	89	57.6 Å²	57.6	35%	0.349	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.1	-173.6	-60.1	-92.2	0	0	0	111.6	C38 E39 R122 Y123 G124	C38-Y42 CarbonylContact C-O 3.51Å; C38-Y42 WeakPolarHBondContact CA-O 3.24Å; E39-Y42 CarbonylContact C-O 3.47Å; E39-Y42 PolarHBondContact N-O 3.03Å; E39-Y42 PolarHBondContact O-N 3.01Å; E39-Y42 VanDerWaalsContact O-N 3.13Å; Y42-R122 HydrophobicContact CD1-CG 4.22Å; Y42-R122 HydrophobicContact CG-CG 4.19Å; Y42-Y123 CarbonylContact C-O 3.46Å; Y42-G124 WeakPolarHBondContact CE1-O 3.43Å
43	Y	67.3	Low	58.6	Low	13 Å²	13	56.7 Å²	56.7	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.1	171.1	-70.8	-99	0	0	0	108.9	V36 V37 C38 Y123 L126 L154 V156 N157	V36-Y43 HydrophobicContact CG1-CD1 4.09Å; V37-Y43 CarbonylContact O-C 3.57Å; V37-Y43 WeakPolarHBondContact O-CA 3.28Å; C38-Y43 HydrophobicContact CB-CD1 4.19Å; C38-Y43 HydrophobicContact CB-CE1 3.85Å; Y43-Y123 PolarHBondContact N-O 3.28Å; Y43-Y123 PolarHBondContact O-N 3.17Å; Y43-L126 HydrophobicContact CD2-CB 4.24Å; Y43-L126 HydrophobicContact CD2-CD1 3.73Å; Y43-L126 HydrophobicContact CD2-CG 4.23Å; Y43-L126 HydrophobicContact CE2-CB 4.01Å; Y43-L126 HydrophobicContact CE2-CD1 4.13Å; Y43-L126 HydrophobicContact CE2-CG 4.48Å; Y43-L126 HydrophobicContact CG-CD1 4.2Å; Y43-L154 HydrophobicContact CD1-CD1 4.19Å; Y43-L154 HydrophobicContact CE1-CD1 4.32Å; Y43-V156 HydrophobicContact CE2-CG1 4.1Å; Y43-V156 WeakPolarHBondContact OH-CA 3.44Å; Y43-V156 WeakPolarHBondContact OH-CG1 3.44Å; Y43-N157 PolarHBondContact OH-N 3.22Å
44	L	64.5	Low	58.3	Low	21 Å²	21	56 Å²	56	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.5	176	-170.5	73	0	0	0	108.9	V36 V37 K120 Y121 R122	V36-L44 WeakPolarHBondContact CA-O 3.49Å; V37-L44 PolarHBondContact N-O 3Å; V37-L44 VanDerWaalsContact N-O 3.1Å; V37-L44 PolarHBondContact O-N 2.93Å; L44-K120 HydrophobicContact CD1-CB 4.11Å; L44-K120 HydrophobicContact CD2-CD 4.39Å; L44-Y121 WeakPolarHBondContact CA-O 3.49Å; L44-R122 HydrophobicContact CD1-CB 4.2Å
45	F	68	Low	58.3	Low	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119	177.6	-61	-95.2	0	0	0	108.9	F31 V36 I60 K120 Y121 Y123 M152 L154	F31-F45 HydrophobicContact CZ-CD1 4.06Å; V36-F45 HydrophobicContact CB-CD1 4.45Å; V36-F45 HydrophobicContact CB-CE1 4.46Å; V36-F45 HydrophobicContact CG1-CD1 3.94Å; V36-F45 HydrophobicContact CG1-CE1 3.63Å; V36-F45 HydrophobicContact CG1-CZ 4.03Å; V36-F45 HydrophobicContact CG2-CD1 3.65Å; V36-F45 HydrophobicContact CG2-CE1 3.92Å; F45-I60 HydrophobicContact CD1-CD1 4.34Å; F45-I60 HydrophobicContact CG-CD1 4.42Å; F45-K120 WeakPolarHBondContact O-CA 3.4Å; F45-Y121 PolarHBondContact N-O 3.26Å; F45-Y121 PolarHBondContact O-N 3.09Å; F45-Y123 AromaticContact CD2-CD2 3.63Å; F45-Y123 HydrophobicContact CD2-CD2 3.63Å; F45-Y123 HydrophobicContact CD2-CG 4.43Å; F45-Y123 AromaticContact CE2-CD2 3.95Å; F45-Y123 HydrophobicContact CE2-CD2 3.95Å; F45-Y123 HydrophobicContact CE2-CG 4.39Å; F45-Y123 HydrophobicContact CG-CD2 4.49Å; F45-M152 HydrophobicContact CD1-CE 4.33Å; F45-M152 HydrophobicContact CD1-SD 4.06Å; F45-M152 HydrophobicContact CE1-CE 3.63Å; F45-M152 HydrophobicContact CE1-SD 3.71Å; F45-L154 HydrophobicContact CZ-CD2 4.44Å
46	N	63.7	Low	58.4	Low	25 Å²	25	54 Å²	54	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.2	177.9	-61.6	-53	0	0	0	110.3	D35 K120	D35-N46 HydrophobicContact CB-CB 4.24Å; D35-N46 PolarHBondContact O-ND2 3.43Å; N46-K120 WeakPolarHBondContact OD1-CD 3.19Å; N46-K120 VanDerWaalsContact OD1-CE 3.28Å; N46-K120 WeakPolarHBondContact OD1-CE 3.41Å; N46-K120 VanDerWaalsContact OD1-CG 3.25Å; N46-K120 WeakPolarHBondContact OD1-CG 3.44Å
47	C	63	Low	58.3	Low	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.2	178.4	-179.8	0	0	0	0	109.9	F29 F31 T118 F119	F29-C47 WeakPolarHBondContact CE2-SG 3.22Å; F31-C47 HydrophobicContact CD2-CB 4.44Å; C47-T118 CarbonylContact O-C 3.5Å; C47-T118 WeakPolarHBondContact O-CA 3.43Å; C47-F119 PolarHBondContact N-O 3.03Å; C47-F119 PolarHBondContact O-N 3.43Å
48	E	59.1	Low	58.3	Low	92 Å²	92	53.8 Å²	53.8	43%	0.43	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.2	176.8	-75.6	179.4	-176.7	0	0	111	R30 T118	R30-E48 HydrophobicContact CB-CB 4.43Å; R30-E48 PolarHBondContact N-O 3.45Å; R30-E48 PolarHBondContact O-N 3.32Å; E48-T118 HydrophobicContact CB-CG2 4.43Å; E48-T118 HydrophobicContact CG-CG2 3.37Å
49	L	57	Low	58.6	Low	5 Å²	5	52.8 Å²	52.8	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.7	171.2	-81.2	165.5	0	0	0	109.2	F29 E51 L53 K117 F119 F138 M148	F29-L49 HydrophobicContact CB-CD2 4.37Å; F29-L49 HydrophobicContact CD2-CD2 3.72Å; F29-L49 HydrophobicContact CD2-CG 4.36Å; L49-E51 VanDerWaalsContact C-N 3.29Å; L49-E51 PolarHBondContact O-N 3.41Å; L49-L53 HydrophobicContact CD2-CD1 4.25Å; L49-K117 PolarHBondContact N-O 3.03Å; L49-K117 VanDerWaalsContact N-O 3.16Å; L49-K117 VanDerWaalsContact O-CB 3.26Å; L49-K117 WeakPolarHBondContact O-CB 3.42Å; L49-F119 HydrophobicContact CD1-CD2 3.7Å; L49-F119 HydrophobicContact CD1-CE2 3.46Å; L49-F119 VanDerWaalsContact CD1-CE2 3.46Å; L49-F138 HydrophobicContact CD1-CD1 4.27Å; L49-F138 HydrophobicContact CD1-CE1 3.6Å; L49-F138 HydrophobicContact CD1-CE2 4.07Å; L49-F138 HydrophobicContact CD1-CZ 3.48Å; L49-F138 VanDerWaalsContact CD1-CZ 3.48Å; L49-F138 HydrophobicContact CD2-CD1 4.44Å; L49-F138 HydrophobicContact CD2-CE1 4.45Å; L49-M148 HydrophobicContact CD2-SD 4.4Å
50	S	53.6	Low	58.8	Low	54 Å²	54	50 Å²	50	38%	0.378	27%	0.271	S	S	.	.	S	Bend	trans	-68.8	-29.4	-179	62.8	0	0	0	0	112.7	V28 K117	V28-S50 WeakPolarHBondContact CA-OG 3.42Å; V28-S50 WeakPolarHBondContact CG1-OG 3.47Å; V28-S50 WeakPolarHBondContact O-CB 3.38Å; V28-S50 PolarHBondContact O-N 2.93Å; V28-S50 PolarHBondContact O-OG 3.21Å; S50-K117 PolarHBondContact O-NZ 3.35Å
51	E	50.6	Low	58.9	Low	123 Å²	123	52.5 Å²	52.5	58%	0.575	27%	0.274	S	S	*	.	S	Bend	trans	-119.7	148.5	-177.8	-67.5	-172.1	168.5	0	0	112.8	L49 L53	L49-E51 VanDerWaalsContact C-N 3.29Å; L49-E51 PolarHBondContact O-N 3.41Å; E51-L53 PolarHBondContact O-N 3.26Å
52	H	44.8	Very low	59	Low	125 Å²	125	50.1 Å²	50.1	58%	0.579	26%	0.26	S	S	*	.			trans	-71.7	84.4	-176	-74.3	-59.9	0	0	0	111.5
53	L	50.8	Low	58.6	Low	37 Å²	37	46.8 Å²	46.8	19%	0.194	25%	0.248	C	C	.	.			trans	-90.6	113.6	168.4	-71.9	156.1	0	0	0	108.3	L49 E51 D55 V140	L49-L53 HydrophobicContact CD2-CD1 4.25Å; E51-L53 PolarHBondContact O-N 3.26Å; L53-D55 PolarHBondContact O-N 3.48Å; L53-V140 HydrophobicContact CB-CG2 4.27Å; L53-V140 HydrophobicContact CD1-CG2 4.12Å; L53-V140 HydrophobicContact CD2-CG1 4.19Å; L53-V140 HydrophobicContact CD2-CG2 4.24Å; L53-V140 HydrophobicContact CG-CG2 4.44Å
54	T	47.6	Very low	58.1	Low	130 Å²	130	50.4 Å²	50.4	80%	0.798	27%	0.266	S	S	*	.	S	Bend	trans	-75.6	-17.5	-163.7	39.7	0	0	0	0	115.1
55	D	50.7	Low	57.2	Low	121 Å²	121	53.3 Å²	53.3	65%	0.647	28%	0.281	S	S	*	.	S	Bend	trans	-152.3	120.5	174.4	-76.5	-53.2	0	0	0	110.5	L53 P141	L53-D55 PolarHBondContact O-N 3.48Å; D55-P141 WeakPolarHBondContact O-CD 3.5Å
56	G	55.5	Low	55.4	Low	7 Å²	7	62 Å²	62	7%	0.072	32%	0.322	C	S	.	.			trans	-157.6	156.3	176.9	0	0	0	0	0	113.4	Q110 I139	G56-Q110 PolarHBondContact O-NE2 3.33Å; G56-I139 CarbonylContact C-O 3.56Å; G56-I139 WeakPolarHBondContact CA-O 3.3Å
57	V	57.3	Low	54.1	Low	81 Å²	81	65.5 Å²	65.5	49%	0.491	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.8	-173.6	-176	0	0	0	0	110.4	I139	V57-I139 PolarHBondContact N-O 3Å; V57-I139 WeakPolarHBondContact O-CB 3.37Å; V57-I139 PolarHBondContact O-N 3.48Å
58	L	61.9	Low	52.8	Low	6 Å²	6	70.1 Å²	70.1	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121	173.8	-175.1	70.6	0	0	0	110.8	F29 F31 I60 Y121 R137 F138	F29-L58 HydrophobicContact CZ-CD1 4.5Å; F31-L58 HydrophobicContact CE2-CD2 4.13Å; L58-I60 HydrophobicContact CD2-CD1 4.02Å; L58-I60 HydrophobicContact CD2-CG1 4.26Å; L58-I60 HydrophobicContact CG-CD1 4.47Å; L58-I60 HydrophobicContact CG-CG1 4.19Å; L58-Y121 HydrophobicContact CB-CD2 4.24Å; L58-Y121 HydrophobicContact CB-CE1 4.02Å; L58-Y121 HydrophobicContact CB-CE2 3.67Å; L58-Y121 HydrophobicContact CD2-CD2 3.67Å; L58-Y121 HydrophobicContact CD2-CE2 3.8Å; L58-Y121 HydrophobicContact CD2-CG 4.26Å; L58-Y121 HydrophobicContact CG-CE2 4.37Å; L58-R137 CarbonylContact C-O 3.54Å; L58-R137 WeakPolarHBondContact CA-O 3.48Å; L58-F138 HydrophobicContact CB-CD2 4.32Å; L58-F138 HydrophobicContact CD1-CD2 4.43Å
59	G	64.6	Low	51.7	Low	14 Å²	14	68 Å²	68	14%	0.144	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.9	169.8	0	0	0	0	0	111.6	C136 R137	G59-C136 CarbonylContact O-C 3.36Å; G59-C136 VanDerWaalsContact O-CA 3.31Å; G59-C136 WeakPolarHBondContact O-CA 3.44Å; G59-R137 PolarHBondContact N-O 3.08Å; G59-R137 PolarHBondContact O-N 2.9Å
60	I	66	Low	50.5	Low	8 Å²	8	71.5 Å²	71.5	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131	178.6	-58.2	170.9	0	0	0	108.2	F45 L58 L96 Y123 Y134 Y135 C136 M152	F45-I60 HydrophobicContact CD1-CD1 4.34Å; F45-I60 HydrophobicContact CG-CD1 4.42Å; L58-I60 HydrophobicContact CD2-CD1 4.02Å; L58-I60 HydrophobicContact CD2-CG1 4.26Å; L58-I60 HydrophobicContact CG-CD1 4.47Å; L58-I60 HydrophobicContact CG-CG1 4.19Å; I60-L96 HydrophobicContact CB-CB 3.93Å; I60-L96 HydrophobicContact CB-CD2 4.03Å; I60-L96 HydrophobicContact CB-CG 4.48Å; I60-L96 HydrophobicContact CD1-CD2 3.94Å; I60-L96 HydrophobicContact CG2-CB 4.1Å; I60-L96 HydrophobicContact CG2-CD1 4.18Å; I60-L96 HydrophobicContact CG2-CD2 4.04Å; I60-L96 HydrophobicContact CG2-CG 4.34Å; I60-L96 WeakPolarHBondContact O-CB 3.38Å; I60-L96 PolarHBondContact O-N 3.48Å; I60-Y123 HydrophobicContact CD1-CD2 4.44Å; I60-Y123 HydrophobicContact CD1-CE2 4.15Å; I60-Y134 HydrophobicContact CG2-CD1 3.62Å; I60-Y134 HydrophobicContact CG2-CE1 4.39Å; I60-Y134 HydrophobicContact CG2-CG 4.25Å; I60-Y135 CarbonylContact C-O 3.48Å; I60-Y135 WeakPolarHBondContact CA-O 3.24Å; I60-C136 HydrophobicContact CG1-CB 4.44Å; I60-M152 HydrophobicContact CG2-CE 4.25Å
61	Y	65.7	Low	49.4	Very low	74 Å²	74	76.4 Å²	76.4	29%	0.29	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.6	-172.2	-56.9	-90.1	0	0	0	110.6	I93 R94 Y134 Y135	Y61-I93 HydrophobicContact CD1-CG2 3.89Å; Y61-I93 HydrophobicContact CG-CG2 4.13Å; Y61-R94 CarbonylContact C-O 3.41Å; Y61-R94 WeakPolarHBondContact CA-O 3.34Å; Y61-Y134 CarbonylContact O-C 3.58Å; Y61-Y134 WeakPolarHBondContact O-CA 3.34Å; Y61-Y135 AromaticContact CD2-CD1 3.77Å; Y61-Y135 HydrophobicContact CD2-CD1 3.77Å; Y61-Y135 HydrophobicContact CD2-CE1 4.41Å; Y61-Y135 WeakPolarHBondContact CD2-O 3.42Å; Y61-Y135 HydrophobicContact CE2-CD1 4.43Å; Y61-Y135 HydrophobicContact CG-CD1 4.48Å; Y61-Y135 PolarHBondContact N-O 2.76Å; Y61-Y135 PolarHBondContact O-N 3.31Å
62	K	61.6	Low	48.9	Very low	27 Å²	27	74.6 Å²	74.6	12%	0.117	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.1	176.1	-163.9	-178.2	-178	-162.9	0	110	R94 I99 N129 Y134	K62-R94 PolarHBondContact N-O 2.85Å; K62-R94 PolarHBondContact O-N 3.48Å; K62-I99 HydrophobicContact CB-CD1 3.73Å; K62-I99 HydrophobicContact CD-CD1 3.86Å; K62-I99 HydrophobicContact CG-CD1 4.45Å; K62-N129 PolarHBondContact NZ-O 3Å; K62-Y134 HydrophobicContact CB-CD1 3.87Å; K62-Y134 HydrophobicContact CB-CE1 3.43Å; K62-Y134 VanDerWaalsContact CB-CE1 3.43Å; K62-Y134 HydrophobicContact CD-CE1 4.29Å; K62-Y134 HydrophobicContact CG-CD1 4.26Å; K62-Y134 HydrophobicContact CG-CE1 3.71Å; K62-Y134 HydrophobicContact CG-CE2 4.12Å
63	L	57.8	Low	48.5	Very low	20 Å²	20	72.8 Å²	72.8	11%	0.105	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.5	172.2	-60.2	174.2	0	0	0	108.1	N65 L133 Y151	L63-N65 VanDerWaalsContact C-N 3.35Å; L63-L133 HydrophobicContact CD1-CB 4.47Å; L63-L133 HydrophobicContact CD1-CD2 3.7Å; L63-L133 HydrophobicContact CD1-CG 3.97Å; L63-L133 PolarHBondContact N-O 2.9Å; L63-Y151 HydrophobicContact CD1-CD1 4.14Å; L63-Y151 HydrophobicContact CD1-CE1 4.07Å
64	E	55.4	Low	47.7	Very low	89 Å²	89	73.7 Å²	73.7	42%	0.416	41%	0.414	S	S	.	.	S	Bend	trans	-79.4	-19.1	-176.9	-63.6	-157	150.7	0	0	113.6	V92 R94	E64-V92 HydrophobicContact CG-CG1 4.44Å; E64-V92 WeakPolarHBondContact OE2-CG1 3.42Å; E64-R94 WeakPolarHBondContact OE1-CD 3.49Å; E64-R94 WeakPolarHBondContact OE1-CG 3.37Å
65	N	45.6	Very low	47.6	Very low	81 Å²	81	73.4 Å²	73.4	43%	0.433	40%	0.403	S	S	.	.	S	Bend	trans	-110.1	129	173.9	-57	-11.9	0	0	0	106.8	L63 F67	L63-N65 VanDerWaalsContact C-N 3.35Å; N65-F67 PolarHBondContact O-N 2.83Å
66	E	31.9	Very low	47	Very low	184 Å²	184	72.1 Å²	72.1	86%	0.86	39%	0.393	S	S	*	.			trans	-66.6	32.7	-176.8	-63.7	-169.4	147.4	0	0	114.4
67	F	36.5	Very low	46.4	Very low	97 Å²	97	74 Å²	74	43%	0.425	40%	0.4	S	S	.	.			trans	-106.5	118	-175.5	-156.5	-98.6	0	0	0	112	N65 N463	N65-F67 PolarHBondContact O-N 2.83Å; F67-N463 WeakPolarHBondContact CD2-OD1 3.42Å; F67-N463 VanDerWaalsContact CE2-OD1 3.29Å; F67-N463 WeakPolarHBondContact CE2-OD1 3.44Å
68	I	33.9	Very low	45.4	Very low	97 Å²	97	73.5 Å²	73.5	50%	0.497	39%	0.392	S	S	.	.			trans	-83.6	120.4	165.2	-60.7	165.8	0	0	0	107.1	A70 L133	I68-A70 PolarHBondContact O-N 3.34Å; I68-L133 HydrophobicContact CD1-CD2 4.24Å; I68-L133 HydrophobicContact CG1-CD2 3.55Å
69	P	37.1	Very low	44.4	Very low	47 Å²	47	78.4 Å²	78.4	31%	0.305	42%	0.415	S	S	.	.			trans	-61.9	111.2	176.5	-20.9	32.2	0	0	0	110.7	N71	P69-N71 PolarHBondContact O-N 3.42Å; P69-N71 VanDerWaalsContact O-N 3.08Å
70	A	31.1	Very low	43	Very low	79 Å²	79	79.6 Å²	79.6	65%	0.653	42%	0.423	S	S	*	.	S	Bend	trans	-70.6	-5.2	-167	0	0	0	0	0	115.7	I68	I68-A70 PolarHBondContact O-N 3.34Å
71	N	30.8	Very low	41.5	Very low	157 Å²	157	83 Å²	83	84%	0.84	44%	0.439	S	S	*	.	S	Bend	trans	-174	98.6	171.5	-89	-40.6	0	0	0	109.6	P69	P69-N71 PolarHBondContact O-N 3.42Å; P69-N71 VanDerWaalsContact O-N 3.08Å
72	L	39.7	Very low	40.4	Very low	86 Å²	86	86.7 Å²	86.7	45%	0.45	46%	0.462	S	S	.	.			trans	-158.2	132.3	133.1	-95	172.2	0	0	0	107.9	E76	L72-E76 HydrophobicContact CD2-CB 4.41Å
73	S	36.9	Very low	39.4	Very low	86 Å²	86	95.2 Å²	95.2	60%	0.601	50%	0.499	S	S	*	.			trans	-89.1	-168.1	176.1	50.5	0	0	0	0	110.1	E76	S73-E76 WeakPolarHBondContact CA-OE2 3.27Å; S73-E76 VanDerWaalsContact CB-OE2 3.31Å; S73-E76 WeakPolarHBondContact CB-OE2 3.31Å; S73-E76 PolarHBondContact N-OE2 3.45Å; S73-E76 VanDerWaalsContact O-CB 3.32Å; S73-E76 WeakPolarHBondContact O-CB 3.42Å; S73-E76 PolarHBondContact OG-OE2 3Å
74	A	34.4	Very low	38	Very low	57 Å²	57	97.2 Å²	97.2	47%	0.471	53%	0.525	S	S	.	.	S	Bend	trans	53.1	157.4	158.7	0	0	0	0	0	118.7	E76 K77	A74-E76 HydrophobicContact CB-CB 4.32Å; A74-E76 HydrophobicContact CB-CG 3.86Å; A74-E76 PolarHBondContact O-N 3.33Å; A74-K77 PolarHBondContact O-N 3.14Å; A74-K77 VanDerWaalsContact O-N 3.09Å
75	Q	45.3	Very low	36.8	Very low	124 Å²	124	100.8 Å²	100.8	58%	0.579	54%	0.539	S	S	*	.	G	3₁₀ helix		41.9	-58	94.1	-148.6	-179	-23.8	0	0	113	K77 Q78 E79	Q75-K77 PolarHBondContact O-N 2.82Å; Q75-Q78 PolarHBondContact O-N 3.21Å; Q75-E79 HydrophobicContact CG-CG 4.16Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.47Å; Q75-E79 PolarHBondContact NE2-OE1 3.28Å; Q75-E79 WeakPolarHBondContact O-CB 3.48Å; Q75-E79 PolarHBondContact O-N 3.49Å
76	E	38.4	Very low	36.3	Very low	93 Å²	93	101.9 Å²	101.9	44%	0.435	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-48.8	-16	169.7	-63.3	165.8	128.7	0	0	116.4	L72 S73 A74	L72-E76 HydrophobicContact CD2-CB 4.41Å; S73-E76 WeakPolarHBondContact CA-OE2 3.27Å; S73-E76 VanDerWaalsContact CB-OE2 3.31Å; S73-E76 WeakPolarHBondContact CB-OE2 3.31Å; S73-E76 PolarHBondContact N-OE2 3.45Å; S73-E76 VanDerWaalsContact O-CB 3.32Å; S73-E76 WeakPolarHBondContact O-CB 3.42Å; S73-E76 PolarHBondContact OG-OE2 3Å; A74-E76 HydrophobicContact CB-CB 4.32Å; A74-E76 HydrophobicContact CB-CG 3.86Å; A74-E76 PolarHBondContact O-N 3.33Å
77	K	43.5	Very low	37.1	Very low	47 Å²	47	94.8 Å²	94.8	20%	0.204	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-112.6	-8.8	169.4	-83.8	-177.5	176.1	132.5	0	116.5	A74 Q75 A80 P87 Y88	A74-K77 PolarHBondContact O-N 3.14Å; A74-K77 VanDerWaalsContact O-N 3.09Å; Q75-K77 PolarHBondContact O-N 2.82Å; K77-A80 VanDerWaalsContact O-CB 3.3Å; K77-A80 WeakPolarHBondContact O-CB 3.29Å; K77-P87 HydrophobicContact CB-CB 4.16Å; K77-P87 HydrophobicContact CD-CB 4.48Å; K77-P87 HydrophobicContact CG-CB 4.41Å; K77-Y88 HydrophobicContact CD-CE1 3.88Å; K77-Y88 HydrophobicContact CD-CE2 3.66Å; K77-Y88 WeakPolarHBondContact CD-OH 3.39Å; K77-Y88 WeakPolarHBondContact CE-OH 3.35Å; K77-Y88 PolarHBondContact NZ-OH 2.99Å
78	Q	35.3	Very low	37.7	Very low	71 Å²	71	93.8 Å²	93.8	33%	0.332	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	1.2	-172.6	-129.1	173.7	1.5	0	0	114.4	Q75 E81 I82 R137	Q75-Q78 PolarHBondContact O-N 3.21Å; Q78-E81 HydrophobicContact CG-CB 4.03Å; Q78-E81 HydrophobicContact CG-CG 4.3Å; Q78-E81 WeakPolarHBondContact CG-OE2 3.46Å; Q78-E81 PolarHBondContact NE2-OE2 2.99Å; Q78-I82 WeakPolarHBondContact O-CD1 3.45Å; Q78-I82 WeakPolarHBondContact O-CG1 3.35Å; Q78-R137 VanDerWaalsContact OE1-CZ 3.31Å
79	E	41.6	Very low	38	Very low	108 Å²	108	93.4 Å²	93.4	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-31	135.2	-75.4	174	177.6	0	0	110.9	Q75 E81 I82 F83	Q75-E79 HydrophobicContact CG-CG 4.16Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.47Å; Q75-E79 PolarHBondContact NE2-OE1 3.28Å; Q75-E79 WeakPolarHBondContact O-CB 3.48Å; Q75-E79 PolarHBondContact O-N 3.49Å; E79-E81 VanDerWaalsContact C-N 3.33Å; E79-E81 PolarHBondContact O-N 2.79Å; E79-I82 PolarHBondContact O-N 2.99Å; E79-F83 PolarHBondContact O-N 2.98Å
80	A	35.7	Very low	38	Very low	39 Å²	39	98.7 Å²	98.7	32%	0.322	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-30.7	179.1	0	0	0	0	0	113.1	K77 K85	K77-A80 VanDerWaalsContact O-CB 3.3Å; K77-A80 WeakPolarHBondContact O-CB 3.29Å; A80-K85 CarbonylContact C-O 3.55Å; A80-K85 WeakPolarHBondContact O-CA 3.43Å; A80-K85 PolarHBondContact O-N 3.38Å; A80-K85 VanDerWaalsContact O-O 3.07Å
81	E	33.4	Very low	38.4	Very low	81 Å²	81	98.3 Å²	98.3	38%	0.379	53%	0.525	S	S	.	.	H	α-helix	trans	-84.7	-30	174.7	-79.4	-177.7	158.1	0	0	113.8	Q78 E79 G84 K85 P87	Q78-E81 HydrophobicContact CG-CB 4.03Å; Q78-E81 HydrophobicContact CG-CG 4.3Å; Q78-E81 WeakPolarHBondContact CG-OE2 3.46Å; Q78-E81 PolarHBondContact NE2-OE2 2.99Å; E79-E81 VanDerWaalsContact C-N 3.33Å; E79-E81 PolarHBondContact O-N 2.79Å; E81-G84 WeakPolarHBondContact O-CA 3.43Å; E81-G84 PolarHBondContact O-N 2.78Å; E81-K85 WeakPolarHBondContact CA-O 3.36Å; E81-K85 VanDerWaalsContact CG-O 3.24Å; E81-K85 WeakPolarHBondContact CG-O 3.49Å; E81-P87 HydrophobicContact CG-CG 4.17Å; E81-P87 WeakPolarHBondContact OE1-CD 3.49Å; E81-P87 WeakPolarHBondContact OE1-CG 3.47Å
82	I	42.5	Very low	39	Very low	151 Å²	151	94.9 Å²	94.9	77%	0.774	51%	0.51	S	S	*	.	H	α-helix	trans	-78.5	-23.1	-176.2	-65.3	171.7	0	0	0	112.5	Q78 E79 G84	Q78-I82 WeakPolarHBondContact O-CD1 3.45Å; Q78-I82 WeakPolarHBondContact O-CG1 3.35Å; E79-I82 PolarHBondContact O-N 2.99Å; I82-G84 VanDerWaalsContact C-N 3.35Å
83	F	41.2	Very low	39.2	Very low	205 Å²	205	94.6 Å²	94.6	90%	0.899	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	6.5	159.1	-77.9	-78.6	0	0	0	113.6	E79	E79-F83 PolarHBondContact O-N 2.98Å
84	G	28.5	Very low	39.8	Very low	62 Å²	62	93.2 Å²	93.2	64%	0.639	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	48.3	168.9	0	0	0	0	0	118.1	E81 I82	E81-G84 WeakPolarHBondContact O-CA 3.43Å; E81-G84 PolarHBondContact O-N 2.78Å; I82-G84 VanDerWaalsContact C-N 3.35Å
85	K	29	Very low	41	Very low	164 Å²	164	92.3 Å²	92.3	71%	0.713	48%	0.479	S	S	*	.			trans	-137	139.7	166.9	-67.8	-168.8	177.5	-177.5	0	113.9	A80 E81	A80-K85 CarbonylContact C-O 3.55Å; A80-K85 WeakPolarHBondContact O-CA 3.43Å; A80-K85 PolarHBondContact O-N 3.38Å; A80-K85 VanDerWaalsContact O-O 3.07Å; E81-K85 WeakPolarHBondContact CA-O 3.36Å; E81-K85 VanDerWaalsContact CG-O 3.24Å; E81-K85 WeakPolarHBondContact CG-O 3.49Å
86	D	36.6	Very low	41.6	Very low	104 Å²	104	86.6 Å²	86.6	56%	0.556	45%	0.453	S	S	*	.			trans	-57.4	127.6	172.5	-171.7	-19.9	0	0	0	110.9	Y88 P89	D86-Y88 PolarHBondContact O-N 2.72Å; D86-Y88 PolarHBondContact OD1-N 3.08Å; D86-Y88 VanDerWaalsContact OD1-N 3.13Å; D86-P89 HydrophobicContact CB-CB 4.37Å
87	P	48.5	Very low	42.5	Very low	36 Å²	36	88.8 Å²	88.8	23%	0.234	46%	0.457	C	S	.	.	S	Bend	trans	-73.7	-17.6	-174.7	26.1	-30.2	0	0	0	112.4	K77 E81	K77-P87 HydrophobicContact CB-CB 4.16Å; K77-P87 HydrophobicContact CD-CB 4.48Å; K77-P87 HydrophobicContact CG-CB 4.41Å; E81-P87 HydrophobicContact CG-CG 4.17Å; E81-P87 WeakPolarHBondContact OE1-CD 3.49Å; E81-P87 WeakPolarHBondContact OE1-CG 3.47Å
88	Y	48	Very low	43.4	Very low	76 Å²	76	91.8 Å²	91.8	30%	0.298	47%	0.47	S	S	.	.			trans	-154.5	79.9	172.3	-52.2	-88	0	0	0	111.8	K77 D86 N90 L91	K77-Y88 HydrophobicContact CD-CE1 3.88Å; K77-Y88 HydrophobicContact CD-CE2 3.66Å; K77-Y88 WeakPolarHBondContact CD-OH 3.39Å; K77-Y88 WeakPolarHBondContact CE-OH 3.35Å; K77-Y88 PolarHBondContact NZ-OH 2.99Å; D86-Y88 PolarHBondContact O-N 2.72Å; D86-Y88 PolarHBondContact OD1-N 3.08Å; D86-Y88 VanDerWaalsContact OD1-N 3.13Å; Y88-N90 PolarHBondContact O-N 3.38Å; Y88-L91 HydrophobicContact CD1-CD1 3.26Å; Y88-L91 HydrophobicContact CD2-CD1 4.3Å; Y88-L91 HydrophobicContact CE1-CD1 3.75Å; Y88-L91 HydrophobicContact CG-CB 4.33Å; Y88-L91 HydrophobicContact CG-CD1 3.53Å; Y88-L91 PolarHBondContact O-N 2.88Å; Y88-L91 VanDerWaalsContact O-N 3.13Å
89	P	40.1	Very low	44.4	Very low	89 Å²	89	88.4 Å²	88.4	58%	0.578	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	2.7	-176.4	21	-30.9	0	0	0	115.2	D86	D86-P89 HydrophobicContact CB-CB 4.37Å
90	N	38.1	Very low	45.1	Very low	157 Å²	157	83.8 Å²	83.8	84%	0.84	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140	17.3	175	-57.9	-61.1	0	0	0	115	Y88	Y88-N90 PolarHBondContact O-N 3.38Å
91	L	38.1	Very low	46.5	Very low	72 Å²	72	85.9 Å²	85.9	38%	0.377	44%	0.436	S	S	.	.			trans	-88.9	117.9	167.6	-108.8	129.1	0	0	0	108.9	Y88 I93	Y88-L91 HydrophobicContact CD1-CD1 3.26Å; Y88-L91 HydrophobicContact CD2-CD1 4.3Å; Y88-L91 HydrophobicContact CE1-CD1 3.75Å; Y88-L91 HydrophobicContact CG-CB 4.33Å; Y88-L91 HydrophobicContact CG-CD1 3.53Å; Y88-L91 PolarHBondContact O-N 2.88Å; Y88-L91 VanDerWaalsContact O-N 3.13Å; L91-I93 HydrophobicContact CB-CD1 4.4Å; L91-I93 HydrophobicContact CB-CG1 4.23Å; L91-I93 PolarHBondContact O-N 3.41Å; L91-I93 VanDerWaalsContact O-N 3.11Å
92	V	43.5	Very low	47.8	Very low	85 Å²	85	87.7 Å²	87.7	52%	0.515	44%	0.444	S	S	.	.			trans	-73.9	105.8	173.2	-169.8	0	0	0	0	108	E64	E64-V92 HydrophobicContact CG-CG1 4.44Å; E64-V92 WeakPolarHBondContact OE2-CG1 3.42Å
93	I	45.3	Very low	48.6	Very low	79 Å²	79	83.9 Å²	83.9	41%	0.405	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.7	176.1	-57.8	173.7	0	0	0	108	Y61 L91	Y61-I93 HydrophobicContact CD1-CG2 3.89Å; Y61-I93 HydrophobicContact CG-CG2 4.13Å; L91-I93 HydrophobicContact CB-CD1 4.4Å; L91-I93 HydrophobicContact CB-CG1 4.23Å; L91-I93 PolarHBondContact O-N 3.41Å; L91-I93 VanDerWaalsContact O-N 3.11Å
94	R	49.6	Very low	48.8	Very low	58 Å²	58	76.5 Å²	76.5	22%	0.219	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.3	170.9	-65.8	-174.2	67.8	-165.5	-3.5	109.8	Y61 K62 E64 I99 E102	Y61-R94 CarbonylContact C-O 3.41Å; Y61-R94 WeakPolarHBondContact CA-O 3.34Å; K62-R94 PolarHBondContact N-O 2.85Å; K62-R94 PolarHBondContact O-N 3.48Å; E64-R94 WeakPolarHBondContact OE1-CD 3.49Å; E64-R94 WeakPolarHBondContact OE1-CG 3.37Å; R94-I99 HydrophobicContact CB-CD1 4.01Å; R94-I99 HydrophobicContact CB-CG1 3.96Å; R94-E102 IonicContact CZ-OE1 3.08Å; R94-E102 IonicContact CZ-OE2 3.5Å; R94-E102 IonicContact NE-OE1 3.9Å; R94-E102 IonicContact NH2-OE1 2.68Å; R94-E102 PolarHBondContact NH2-OE1 3.21Å; R94-E102 IonicContact NH2-OE2 2.87Å; R94-E102 PolarHBondContact NH2-OE2 3.5Å
95	S	58.5	Low	49.9	Very low	37 Å²	37	75.3 Å²	75.3	26%	0.259	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.1	171.4	69.1	0	0	0	0	109.7	R97 K98 I99	S95-R97 PolarHBondContact O-N 2.98Å; S95-R97 VanDerWaalsContact O-N 3.15Å; S95-K98 PolarHBondContact O-N 3.43Å; S95-K98 WeakPolarHBondContact OG-CB 3.48Å; S95-K98 PolarHBondContact OG-N 3.47Å; S95-K98 VanDerWaalsContact OG-N 3.08Å; S95-I99 WeakPolarHBondContact O-CG1 3.24Å; S95-I99 PolarHBondContact O-N 3.35Å
96	L	59	Low	50.8	Low	4 Å²	4	74.4 Å²	74.4	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-55	-34.1	175	-158.6	82	0	0	0	110.5	I60 I99 F100 Y123 Y134	I60-L96 HydrophobicContact CB-CB 3.93Å; I60-L96 HydrophobicContact CB-CD2 4.03Å; I60-L96 HydrophobicContact CB-CG 4.48Å; I60-L96 HydrophobicContact CD1-CD2 3.94Å; I60-L96 HydrophobicContact CG2-CB 4.1Å; I60-L96 HydrophobicContact CG2-CD1 4.18Å; I60-L96 HydrophobicContact CG2-CD2 4.04Å; I60-L96 HydrophobicContact CG2-CG 4.34Å; I60-L96 WeakPolarHBondContact O-CB 3.38Å; I60-L96 PolarHBondContact O-N 3.48Å; L96-I99 PolarHBondContact O-N 3.46Å; L96-F100 HydrophobicContact CB-CE2 4.33Å; L96-F100 HydrophobicContact CD1-CE2 4.33Å; L96-F100 HydrophobicContact CD1-CZ 4.4Å; L96-F100 HydrophobicContact CD2-CD2 4.38Å; L96-F100 HydrophobicContact CD2-CE2 3.38Å; L96-F100 HydrophobicContact CD2-CZ 3.92Å; L96-F100 HydrophobicContact CG-CD2 4.04Å; L96-F100 HydrophobicContact CG-CE2 3.34Å; L96-F100 HydrophobicContact CG-CZ 3.86Å; L96-F100 WeakPolarHBondContact O-CD2 3.36Å; L96-F100 WeakPolarHBondContact O-CG 3.33Å; L96-F100 PolarHBondContact O-N 3.14Å; L96-Y123 HydrophobicContact CD2-CD1 4.39Å; L96-Y123 HydrophobicContact CD2-CD2 4.16Å; L96-Y123 HydrophobicContact CD2-CG 4.06Å; L96-Y134 HydrophobicContact CD1-CD1 4.09Å; L96-Y134 HydrophobicContact CD1-CE1 3.34Å
97	R	57.6	Low	51.2	Low	139 Å²	139	77.7 Å²	77.7	53%	0.525	39%	0.392	S	S	.	.	H	α-helix	trans	-57.4	-49.8	171.3	-169.7	-175.2	-150.4	-132	11	113.1	S95 F100 E101	S95-R97 PolarHBondContact O-N 2.98Å; S95-R97 VanDerWaalsContact O-N 3.15Å; R97-F100 PolarHBondContact O-N 3.3Å; R97-E101 IonicContact CZ-OE1 2.69Å; R97-E101 IonicContact NE-OE1 3.86Å; R97-E101 IonicContact NH1-OE1 3.73Å; R97-E101 WeakPolarHBondContact O-CG 3.15Å; R97-E101 PolarHBondContact O-N 3.33Å
98	K	61.5	Low	51.5	Low	111 Å²	111	81.4 Å²	81.4	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-66.6	-39	179.3	-171.5	176.5	-179.2	-178.1	0	111.3	S95 F100 E101 E102	S95-K98 PolarHBondContact O-N 3.43Å; S95-K98 WeakPolarHBondContact OG-CB 3.48Å; S95-K98 PolarHBondContact OG-N 3.47Å; S95-K98 VanDerWaalsContact OG-N 3.08Å; K98-F100 VanDerWaalsContact C-N 3.28Å; K98-F100 PolarHBondContact O-N 2.89Å; K98-E101 PolarHBondContact O-N 3.25Å; K98-E102 WeakPolarHBondContact O-CG 3.4Å; K98-E102 PolarHBondContact O-N 3.04Å; K98-E102 VanDerWaalsContact O-N 3.08Å
99	I	56.9	Low	51.7	Low	0 Å²	0	82.1 Å²	82.1	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-56.5	-45	171.5	-64.9	171.1	0	0	0	109.7	K62 R94 S95 L96 E102 H103 D130	K62-I99 HydrophobicContact CB-CD1 3.73Å; K62-I99 HydrophobicContact CD-CD1 3.86Å; K62-I99 HydrophobicContact CG-CD1 4.45Å; R94-I99 HydrophobicContact CB-CD1 4.01Å; R94-I99 HydrophobicContact CB-CG1 3.96Å; S95-I99 WeakPolarHBondContact O-CG1 3.24Å; S95-I99 PolarHBondContact O-N 3.35Å; L96-I99 PolarHBondContact O-N 3.46Å; I99-E102 PolarHBondContact O-N 3.12Å; I99-H103 PolarHBondContact O-N 3Å; I99-H103 VanDerWaalsContact O-N 3.16Å; I99-H103 PolarHBondContact O-ND1 3.49Å; I99-D130 WeakPolarHBondContact CG2-OD1 3.44Å
100	F	56.4	Low	52.4	Low	10 Å²	10	81.4 Å²	81.4	4%	0.044	40%	0.399	C	S	.	.	H	α-helix	trans	-73.2	-36.7	178.8	-70	-49.7	0	0	0	115.3	L96 R97 K98 E102 H103 G104 V105 Y123 P125 L126	L96-F100 HydrophobicContact CB-CE2 4.33Å; L96-F100 HydrophobicContact CD1-CE2 4.33Å; L96-F100 HydrophobicContact CD1-CZ 4.4Å; L96-F100 HydrophobicContact CD2-CD2 4.38Å; L96-F100 HydrophobicContact CD2-CE2 3.38Å; L96-F100 HydrophobicContact CD2-CZ 3.92Å; L96-F100 HydrophobicContact CG-CD2 4.04Å; L96-F100 HydrophobicContact CG-CE2 3.34Å; L96-F100 HydrophobicContact CG-CZ 3.86Å; L96-F100 WeakPolarHBondContact O-CD2 3.36Å; L96-F100 WeakPolarHBondContact O-CG 3.33Å; L96-F100 PolarHBondContact O-N 3.14Å; R97-F100 PolarHBondContact O-N 3.3Å; K98-F100 VanDerWaalsContact C-N 3.28Å; K98-F100 PolarHBondContact O-N 2.89Å; F100-E102 PolarHBondContact O-N 2.97Å; F100-H103 CarbonylContact O-C 3.57Å; F100-H103 WeakPolarHBondContact O-CA 3.25Å; F100-H103 PolarHBondContact O-N 3.44Å; F100-G104 PolarHBondContact O-N 3.05Å; F100-V105 HydrophobicContact CB-CB 4.39Å; F100-V105 PolarHBondContact O-N 3.3Å; F100-Y123 HydrophobicContact CD2-CD1 4.02Å; F100-Y123 AromaticContact CE2-CD1 3.54Å; F100-Y123 HydrophobicContact CE2-CD1 3.54Å; F100-Y123 AromaticContact CE2-CG 3.8Å; F100-Y123 HydrophobicContact CE2-CG 3.8Å; F100-Y123 HydrophobicContact CZ-CD1 4.45Å; F100-Y123 HydrophobicContact CZ-CG 4.37Å; F100-P125 WeakPolarHBondContact CE1-O 3.39Å; F100-L126 HydrophobicContact CD1-CD2 4.19Å; F100-L126 HydrophobicContact CE1-CD2 3.2Å; F100-L126 HydrophobicContact CE1-CG 3.64Å; F100-L126 HydrophobicContact CZ-CD1 4.33Å; F100-L126 HydrophobicContact CZ-CD2 3.49Å; F100-L126 VanDerWaalsContact CZ-CD2 3.49Å; F100-L126 HydrophobicContact CZ-CG 3.86Å
101	E	63.5	Low	53.2	Low	84 Å²	84	77.9 Å²	77.9	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-38	173.6	-75.9	168.8	-179.2	0	0	110.4	R97 K98 G104	R97-E101 IonicContact CZ-OE1 2.69Å; R97-E101 IonicContact NE-OE1 3.86Å; R97-E101 IonicContact NH1-OE1 3.73Å; R97-E101 WeakPolarHBondContact O-CG 3.15Å; R97-E101 PolarHBondContact O-N 3.33Å; K98-E101 PolarHBondContact O-N 3.25Å; E101-G104 PolarHBondContact O-N 3.26Å
102	E	62.1	Low	54	Low	119 Å²	119	78.1 Å²	78.1	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-69	-31.9	172.7	-71.8	175.8	-139.8	0	0	113.3	R94 K98 I99 F100 G104	R94-E102 IonicContact CZ-OE1 3.08Å; R94-E102 IonicContact CZ-OE2 3.5Å; R94-E102 IonicContact NE-OE1 3.9Å; R94-E102 IonicContact NH2-OE1 2.68Å; R94-E102 PolarHBondContact NH2-OE1 3.21Å; R94-E102 IonicContact NH2-OE2 2.87Å; R94-E102 PolarHBondContact NH2-OE2 3.5Å; K98-E102 WeakPolarHBondContact O-CG 3.4Å; K98-E102 PolarHBondContact O-N 3.04Å; K98-E102 VanDerWaalsContact O-N 3.08Å; I99-E102 PolarHBondContact O-N 3.12Å; F100-E102 PolarHBondContact O-N 2.97Å; E102-G104 PolarHBondContact O-N 3.15Å
103	H	57.7	Low	54.6	Low	71 Å²	71	75.7 Å²	75.7	33%	0.329	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	0.8	168.3	-68.3	99	0	0	0	113.2	I99 F100 T127 D130	I99-H103 PolarHBondContact O-N 3Å; I99-H103 VanDerWaalsContact O-N 3.16Å; I99-H103 PolarHBondContact O-ND1 3.49Å; F100-H103 CarbonylContact O-C 3.57Å; F100-H103 WeakPolarHBondContact O-CA 3.25Å; F100-H103 PolarHBondContact O-N 3.44Å; H103-T127 WeakPolarHBondContact NE2-CG2 3.42Å; H103-D130 IonicContact CE1-OD1 2.78Å; H103-D130 IonicContact CE1-OD2 3.51Å; H103-D130 PolarHBondContact CE1-OD2 2.86Å; H103-D130 VanDerWaalsContact CE1-OD2 3.27Å; H103-D130 IonicContact NE2-OD2 2.53Å
104	G	46	Very low	54.9	Low	49 Å²	49	81 Å²	81	51%	0.505	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	17.7	177.2	0	0	0	0	0	115.7	F100 E101 E102	F100-G104 PolarHBondContact O-N 3.05Å; E101-G104 PolarHBondContact O-N 3.26Å; E102-G104 PolarHBondContact O-N 3.15Å
105	V	52.6	Low	55.1	Low	38 Å²	38	85.3 Å²	85.3	23%	0.23	41%	0.406	C	S	.	.			trans	-103.8	118.2	-179.3	-179.6	0	0	0	0	111.8	F100 P125	F100-V105 HydrophobicContact CB-CB 4.39Å; F100-V105 PolarHBondContact O-N 3.3Å; V105-P125 VanDerWaalsContact CG2-CD 3.43Å
106	H	47.4	Very low	55.2	Low	145 Å²	145	88.2 Å²	88.2	67%	0.671	42%	0.416	S	S	*	.			trans	-107.5	-4.1	-175.2	-59.8	-66.6	0	0	0	114.9
107	K	44.9	Very low	55.3	Low	172 Å²	172	91.4 Å²	91.4	75%	0.748	43%	0.429	S	S	*	.			trans	-132	127.8	-174.2	-167	175.5	-178.4	177.8	0	111.7
108	W	55.7	Low	55.4	Low	114 Å²	114	85.3 Å²	85.3	43%	0.432	41%	0.408	S	S	.	.			trans	-119.3	148.9	173.6	60.3	96.5	0	0	0	109.2	Y123	W108-Y123 HydrophobicContact CB-CD1 4.2Å; W108-Y123 HydrophobicContact CB-CE1 3.81Å; W108-Y123 HydrophobicContact CG-CE1 4.18Å
109	N	51.8	Low	55.5	Low	91 Å²	91	80.7 Å²	80.7	49%	0.487	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.8	175.8	-71.1	-18.8	0	0	0	108.9	R122	N109-R122 PolarHBondContact O-N 3.25Å; N109-R122 VanDerWaalsContact O-N 3.17Å
110	Q	55.1	Low	55.7	Low	75 Å²	75	82.2 Å²	82.2	35%	0.35	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127	165.9	177.3	-179.7	6	0	0	107.3	G56 F119 K120 Y121	G56-Q110 PolarHBondContact O-NE2 3.33Å; Q110-F119 HydrophobicContact CG-CD1 4.14Å; Q110-F119 VanDerWaalsContact NE2-CD1 3.29Å; Q110-K120 WeakPolarHBondContact CA-O 3.47Å; Q110-Y121 HydrophobicContact CB-CD1 4.02Å; Q110-Y121 HydrophobicContact CB-CE1 3.88Å; Q110-Y121 VanDerWaalsContact CD-CE1 3.48Å; Q110-Y121 HydrophobicContact CG-CD1 4.05Å; Q110-Y121 HydrophobicContact CG-CE1 3.51Å; Q110-Y121 PolarHBondContact NE2-OH 3.44Å
111	T	55	Low	56.2	Low	82 Å²	82	81.8 Å²	81.8	50%	0.503	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.9	169.7	54.7	0	0	0	0	109	K120	T111-K120 PolarHBondContact N-O 2.98Å; T111-K120 PolarHBondContact O-N 3.45Å
112	Y	53.6	Low	56.2	Low	78 Å²	78	82.4 Å²	82.4	31%	0.306	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.9	175.6	178.6	-121.5	0	0	0	109	R114 F119	Y112-R114 HydrophobicContact CD1-CB 4.07Å; Y112-R114 HydrophobicContact CE1-CB 3.73Å; Y112-R114 HydrophobicContact CE1-CG 3.84Å; Y112-R114 PolarHBondContact O-N 2.81Å; Y112-F119 AromaticContact CD2-CD1 3.65Å; Y112-F119 HydrophobicContact CD2-CD1 3.65Å; Y112-F119 AromaticContact CD2-CD2 3.56Å; Y112-F119 HydrophobicContact CD2-CD2 3.56Å; Y112-F119 AromaticContact CD2-CE1 3.46Å; Y112-F119 HydrophobicContact CD2-CE1 3.46Å; Y112-F119 VanDerWaalsContact CD2-CE1 3.46Å; Y112-F119 AromaticContact CD2-CE2 3.33Å; Y112-F119 HydrophobicContact CD2-CE2 3.33Å; Y112-F119 AromaticContact CD2-CG 3.72Å; Y112-F119 HydrophobicContact CD2-CG 3.72Å; Y112-F119 AromaticContact CD2-CZ 3.31Å; Y112-F119 HydrophobicContact CD2-CZ 3.31Å; Y112-F119 AromaticContact CE2-CD2 3.83Å; Y112-F119 HydrophobicContact CE2-CD2 3.83Å; Y112-F119 HydrophobicContact CE2-CE1 4.3Å; Y112-F119 AromaticContact CE2-CE2 3.39Å; Y112-F119 HydrophobicContact CE2-CE2 3.39Å; Y112-F119 HydrophobicContact CE2-CG 4.45Å; Y112-F119 AromaticContact CE2-CZ 3.67Å; Y112-F119 HydrophobicContact CE2-CZ 3.67Å; Y112-F119 HydrophobicContact CG-CD1 4.08Å; Y112-F119 AromaticContact CG-CE1 3.69Å; Y112-F119 HydrophobicContact CG-CE1 3.69Å; Y112-F119 HydrophobicContact CG-CE2 4.29Å; Y112-F119 AromaticContact CG-CZ 3.81Å; Y112-F119 HydrophobicContact CG-CZ 3.81Å
113	D	56.5	Low	56.3	Low	34 Å²	34	78.1 Å²	78.1	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	93.4	169.7	-175.4	-31.7	0	0	0	107.3	D115 H116 K117 T118 R173	D113-D115 PolarHBondContact O-N 2.94Å; D113-D115 PolarHBondContact OD1-N 2.9Å; D113-H116 VanDerWaalsContact CG-ND1 3.25Å; D113-H116 PolarHBondContact O-N 3.43Å; D113-H116 IonicContact OD1-CE1 3.79Å; D113-H116 IonicContact OD1-CG 2.72Å; D113-H116 PolarHBondContact OD1-N 3.38Å; D113-H116 VanDerWaalsContact OD1-N 3.1Å; D113-H116 IonicContact OD1-ND1 2.69Å; D113-H116 PolarHBondContact OD1-ND1 2.91Å; D113-H116 IonicContact OD2-CE1 3.94Å; D113-H116 IonicContact OD2-CG 2.68Å; D113-H116 IonicContact OD2-ND1 2.93Å; D113-H116 PolarHBondContact OD2-ND1 3.34Å; D113-K117 WeakPolarHBondContact O-CA 3.33Å; D113-K117 PolarHBondContact O-N 3.22Å; D113-T118 WeakPolarHBondContact CB-OG1 3.32Å; D113-T118 PolarHBondContact N-O 3.42Å; D113-T118 PolarHBondContact O-N 3.45Å; D113-R173 IonicContact OD2-NH2 2.73Å
114	R	50.7	Low	56.7	Low	189 Å²	189	74.9 Å²	74.9	71%	0.713	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	-176.5	-170.5	-176.9	-78	-173.4	-4.1	112.2	Y112	Y112-R114 HydrophobicContact CD1-CB 4.07Å; Y112-R114 HydrophobicContact CE1-CB 3.73Å; Y112-R114 HydrophobicContact CE1-CG 3.84Å; Y112-R114 PolarHBondContact O-N 2.81Å
115	D	54.2	Low	57.8	Low	149 Å²	149	74.9 Å²	74.9	80%	0.797	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-39.3	-176	-62.9	-27.3	0	0	0	111.8	D113	D113-D115 PolarHBondContact O-N 2.94Å; D113-D115 PolarHBondContact OD1-N 2.9Å
116	H	61.3	Low	58.6	Low	98 Å²	98	73.6 Å²	73.6	45%	0.454	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	0.3	175.9	-58.4	84.9	0	0	0	112.6	D113 T118	D113-H116 VanDerWaalsContact CG-ND1 3.25Å; D113-H116 PolarHBondContact O-N 3.43Å; D113-H116 IonicContact OD1-CE1 3.79Å; D113-H116 IonicContact OD1-CG 2.72Å; D113-H116 PolarHBondContact OD1-N 3.38Å; D113-H116 VanDerWaalsContact OD1-N 3.1Å; D113-H116 IonicContact OD1-ND1 2.69Å; D113-H116 PolarHBondContact OD1-ND1 2.91Å; D113-H116 IonicContact OD2-CE1 3.94Å; D113-H116 IonicContact OD2-CG 2.68Å; D113-H116 IonicContact OD2-ND1 2.93Å; D113-H116 PolarHBondContact OD2-ND1 3.34Å; H116-T118 HydrophobicContact CB-CG2 4.11Å; H116-T118 PolarHBondContact O-N 3.4Å
117	K	60.3	Low	59.7	Low	72 Å²	72	68.9 Å²	68.9	31%	0.313	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	36.9	-168.7	-57.3	178.8	173.8	178.6	0	112.3	L49 S50 D113	L49-K117 PolarHBondContact N-O 3.03Å; L49-K117 VanDerWaalsContact N-O 3.16Å; L49-K117 VanDerWaalsContact O-CB 3.26Å; L49-K117 WeakPolarHBondContact O-CB 3.42Å; S50-K117 PolarHBondContact O-NZ 3.35Å; D113-K117 WeakPolarHBondContact O-CA 3.33Å; D113-K117 PolarHBondContact O-N 3.22Å
118	T	60.3	Low	60.8	Low	11 Å²	11	67.3 Å²	67.3	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.7	-178.6	46.3	0	0	0	0	111.7	C47 E48 D113 H116	C47-T118 CarbonylContact O-C 3.5Å; C47-T118 WeakPolarHBondContact O-CA 3.43Å; E48-T118 HydrophobicContact CB-CG2 4.43Å; E48-T118 HydrophobicContact CG-CG2 3.37Å; D113-T118 WeakPolarHBondContact CB-OG1 3.32Å; D113-T118 PolarHBondContact N-O 3.42Å; D113-T118 PolarHBondContact O-N 3.45Å; H116-T118 HydrophobicContact CB-CG2 4.11Å; H116-T118 PolarHBondContact O-N 3.4Å
119	F	62.9	Low	61.4	Low	14 Å²	14	68.4 Å²	68.4	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.1	163.6	-71.7	-89.9	0	0	0	109.2	C47 L49 Q110 Y112 Y121 F138	C47-F119 PolarHBondContact N-O 3.03Å; C47-F119 PolarHBondContact O-N 3.43Å; L49-F119 HydrophobicContact CD1-CD2 3.7Å; L49-F119 HydrophobicContact CD1-CE2 3.46Å; L49-F119 VanDerWaalsContact CD1-CE2 3.46Å; Q110-F119 HydrophobicContact CG-CD1 4.14Å; Q110-F119 VanDerWaalsContact NE2-CD1 3.29Å; Y112-F119 AromaticContact CD2-CD1 3.65Å; Y112-F119 HydrophobicContact CD2-CD1 3.65Å; Y112-F119 AromaticContact CD2-CD2 3.56Å; Y112-F119 HydrophobicContact CD2-CD2 3.56Å; Y112-F119 AromaticContact CD2-CE1 3.46Å; Y112-F119 HydrophobicContact CD2-CE1 3.46Å; Y112-F119 VanDerWaalsContact CD2-CE1 3.46Å; Y112-F119 AromaticContact CD2-CE2 3.33Å; Y112-F119 HydrophobicContact CD2-CE2 3.33Å; Y112-F119 AromaticContact CD2-CG 3.72Å; Y112-F119 HydrophobicContact CD2-CG 3.72Å; Y112-F119 AromaticContact CD2-CZ 3.31Å; Y112-F119 HydrophobicContact CD2-CZ 3.31Å; Y112-F119 AromaticContact CE2-CD2 3.83Å; Y112-F119 HydrophobicContact CE2-CD2 3.83Å; Y112-F119 HydrophobicContact CE2-CE1 4.3Å; Y112-F119 AromaticContact CE2-CE2 3.39Å; Y112-F119 HydrophobicContact CE2-CE2 3.39Å; Y112-F119 HydrophobicContact CE2-CG 4.45Å; Y112-F119 AromaticContact CE2-CZ 3.67Å; Y112-F119 HydrophobicContact CE2-CZ 3.67Å; Y112-F119 HydrophobicContact CG-CD1 4.08Å; Y112-F119 AromaticContact CG-CE1 3.69Å; Y112-F119 HydrophobicContact CG-CE1 3.69Å; Y112-F119 HydrophobicContact CG-CE2 4.29Å; Y112-F119 AromaticContact CG-CZ 3.81Å; Y112-F119 HydrophobicContact CG-CZ 3.81Å; F119-Y121 HydrophobicContact CB-CD2 4.35Å; F119-Y121 HydrophobicContact CB-CE2 3.58Å; F119-F138 HydrophobicContact CE2-CZ 4.38Å
120	K	62.6	Low	62.3	Low	31 Å²	31	64.3 Å²	64.3	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.1	176.9	-54.6	-164.1	169.5	-174	0	109.4	L44 F45 N46 Q110 T111	L44-K120 HydrophobicContact CD1-CB 4.11Å; L44-K120 HydrophobicContact CD2-CD 4.39Å; F45-K120 WeakPolarHBondContact O-CA 3.4Å; N46-K120 WeakPolarHBondContact OD1-CD 3.19Å; N46-K120 VanDerWaalsContact OD1-CE 3.28Å; N46-K120 WeakPolarHBondContact OD1-CE 3.41Å; N46-K120 VanDerWaalsContact OD1-CG 3.25Å; N46-K120 WeakPolarHBondContact OD1-CG 3.44Å; Q110-K120 WeakPolarHBondContact CA-O 3.47Å; T111-K120 PolarHBondContact N-O 2.98Å; T111-K120 PolarHBondContact O-N 3.45Å
121	Y	66.6	Low	62.9	Low	1 Å²	1	62.5 Å²	62.5	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.3	178.1	-61.4	-94.2	0	0	0	109.5	L44 F45 L58 Q110 F119 Y123	L44-Y121 WeakPolarHBondContact CA-O 3.49Å; F45-Y121 PolarHBondContact N-O 3.26Å; F45-Y121 PolarHBondContact O-N 3.09Å; L58-Y121 HydrophobicContact CB-CD2 4.24Å; L58-Y121 HydrophobicContact CB-CE1 4.02Å; L58-Y121 HydrophobicContact CB-CE2 3.67Å; L58-Y121 HydrophobicContact CD2-CD2 3.67Å; L58-Y121 HydrophobicContact CD2-CE2 3.8Å; L58-Y121 HydrophobicContact CD2-CG 4.26Å; L58-Y121 HydrophobicContact CG-CE2 4.37Å; Q110-Y121 HydrophobicContact CB-CD1 4.02Å; Q110-Y121 HydrophobicContact CB-CE1 3.88Å; Q110-Y121 VanDerWaalsContact CD-CE1 3.48Å; Q110-Y121 HydrophobicContact CG-CD1 4.05Å; Q110-Y121 HydrophobicContact CG-CE1 3.51Å; Q110-Y121 PolarHBondContact NE2-OH 3.44Å; F119-Y121 HydrophobicContact CB-CD2 4.35Å; F119-Y121 HydrophobicContact CB-CE2 3.58Å; Y121-Y123 HydrophobicContact CD1-CE2 4.2Å; Y121-Y123 HydrophobicContact CG-CE2 4.04Å
122	R	62.4	Low	63.3	Low	98 Å²	98	59.4 Å²	59.4	37%	0.37	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118	176.4	-169.9	179	-176.7	-165.6	1.9	109.7	Y42 L44 N109	Y42-R122 HydrophobicContact CD1-CG 4.22Å; Y42-R122 HydrophobicContact CG-CG 4.19Å; L44-R122 HydrophobicContact CD1-CB 4.2Å; N109-R122 PolarHBondContact O-N 3.25Å; N109-R122 VanDerWaalsContact O-N 3.17Å
123	Y	65.3	Low	63.5	Low	29 Å²	29	57.1 Å²	57.1	11%	0.114	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.6	-174.6	-75.8	-63.7	0	0	0	110.9	Y42 Y43 F45 I60 L96 F100 W108 Y121	Y42-Y123 CarbonylContact C-O 3.46Å; Y43-Y123 PolarHBondContact N-O 3.28Å; Y43-Y123 PolarHBondContact O-N 3.17Å; F45-Y123 AromaticContact CD2-CD2 3.63Å; F45-Y123 HydrophobicContact CD2-CD2 3.63Å; F45-Y123 HydrophobicContact CD2-CG 4.43Å; F45-Y123 AromaticContact CE2-CD2 3.95Å; F45-Y123 HydrophobicContact CE2-CD2 3.95Å; F45-Y123 HydrophobicContact CE2-CG 4.39Å; F45-Y123 HydrophobicContact CG-CD2 4.49Å; I60-Y123 HydrophobicContact CD1-CD2 4.44Å; I60-Y123 HydrophobicContact CD1-CE2 4.15Å; L96-Y123 HydrophobicContact CD2-CD1 4.39Å; L96-Y123 HydrophobicContact CD2-CD2 4.16Å; L96-Y123 HydrophobicContact CD2-CG 4.06Å; F100-Y123 HydrophobicContact CD2-CD1 4.02Å; F100-Y123 AromaticContact CE2-CD1 3.54Å; F100-Y123 HydrophobicContact CE2-CD1 3.54Å; F100-Y123 AromaticContact CE2-CG 3.8Å; F100-Y123 HydrophobicContact CE2-CG 3.8Å; F100-Y123 HydrophobicContact CZ-CD1 4.45Å; F100-Y123 HydrophobicContact CZ-CG 4.37Å; W108-Y123 HydrophobicContact CB-CD1 4.2Å; W108-Y123 HydrophobicContact CB-CE1 3.81Å; W108-Y123 HydrophobicContact CG-CE1 4.18Å; Y121-Y123 HydrophobicContact CD1-CE2 4.2Å; Y121-Y123 HydrophobicContact CG-CE2 4.04Å
124	G	66.1	Low	63.9	Low	3 Å²	3	55.5 Å²	55.5	3%	0.031	27%	0.272	C	S	.	.			trans	160.5	167.3	-179.6	0	0	0	0	0	112.5	Y42	Y42-G124 WeakPolarHBondContact CE1-O 3.43Å
125	P	67.9	Low	64.5	Low	48 Å²	48	49.1 Å²	49.1	31%	0.312	25%	0.248	S	C	.	.			cis	-81.5	154.1	3.9	31.8	-29.4	0	0	0	114.1	D41 F100 V105	D41-P125 HydrophobicContact CB-CB 4.32Å; D41-P125 VanDerWaalsContact O-CA 3.23Å; D41-P125 WeakPolarHBondContact O-CA 3.19Å; F100-P125 WeakPolarHBondContact CE1-O 3.39Å; V105-P125 VanDerWaalsContact CG2-CD 3.43Å
126	L	70.2	Confident	64.9	Low	12 Å²	12	42 Å²	42	6%	0.063	21%	0.21	C	C	.	.			trans	-118.7	152.9	174.1	-70.1	176.2	0	0	0	109.9	Y43 F100 D130 L154 V156	Y43-L126 HydrophobicContact CD2-CB 4.24Å; Y43-L126 HydrophobicContact CD2-CD1 3.73Å; Y43-L126 HydrophobicContact CD2-CG 4.23Å; Y43-L126 HydrophobicContact CE2-CB 4.01Å; Y43-L126 HydrophobicContact CE2-CD1 4.13Å; Y43-L126 HydrophobicContact CE2-CG 4.48Å; Y43-L126 HydrophobicContact CG-CD1 4.2Å; F100-L126 HydrophobicContact CD1-CD2 4.19Å; F100-L126 HydrophobicContact CE1-CD2 3.2Å; F100-L126 HydrophobicContact CE1-CG 3.64Å; F100-L126 HydrophobicContact CZ-CD1 4.33Å; F100-L126 HydrophobicContact CZ-CD2 3.49Å; F100-L126 VanDerWaalsContact CZ-CD2 3.49Å; F100-L126 HydrophobicContact CZ-CG 3.86Å; L126-D130 HydrophobicContact CB-CB 4.27Å; L126-D130 HydrophobicContact CD2-CB 3.85Å; L126-L154 HydrophobicContact CD1-CD2 3.71Å; L126-V156 HydrophobicContact CB-CG1 4.1Å; L126-V156 HydrophobicContact CB-CG2 3.96Å; L126-V156 HydrophobicContact CD1-CG2 4.27Å
127	T	70.4	Confident	64.9	Low	46 Å²	46	39.7 Å²	39.7	28%	0.282	20%	0.198	S	C	.	.			trans	-110.3	166.6	178.4	67.4	0	0	0	0	111.6	H103 N129 D130 V156	H103-T127 WeakPolarHBondContact NE2-CG2 3.42Å; T127-N129 PolarHBondContact O-N 2.87Å; T127-N129 VanDerWaalsContact O-N 3.16Å; T127-D130 PolarHBondContact N-OD2 3.07Å; T127-D130 WeakPolarHBondContact O-CA 3.46Å; T127-D130 VanDerWaalsContact O-CB 3.32Å; T127-D130 WeakPolarHBondContact O-CB 3.34Å; T127-D130 PolarHBondContact O-N 3.37Å; T127-D130 PolarHBondContact OG1-OD2 3.22Å; T127-V156 WeakPolarHBondContact O-CB 3.37Å; T127-V156 WeakPolarHBondContact O-CG1 3.49Å; T127-V156 WeakPolarHBondContact O-CG2 3.38Å
128	Q	67.4	Low	64.9	Low	138 Å²	138	36.7 Å²	36.7	65%	0.645	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-56.4	-32.8	177.3	-169.4	167.5	0.3	0	0	112.8	D130 S131 M158	Q128-D130 PolarHBondContact O-N 2.66Å; Q128-S131 VanDerWaalsContact O-CB 3.27Å; Q128-S131 WeakPolarHBondContact O-CB 3.27Å; Q128-S131 PolarHBondContact O-N 3.48Å; Q128-S131 PolarHBondContact O-OG 3.42Å; Q128-M158 HydrophobicContact CB-CG 4.32Å
129	N	68.9	Low	64.7	Low	137 Å²	137	40 Å²	40	73%	0.733	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-64.6	-20.1	175.4	-70.4	-12.9	0	0	0	112.9	K62 T127 S131	K62-N129 PolarHBondContact NZ-O 3Å; T127-N129 PolarHBondContact O-N 2.87Å; T127-N129 VanDerWaalsContact O-N 3.16Å; N129-S131 PolarHBondContact O-N 3.45Å
130	D	70.3	Confident	64.3	Low	6 Å²	6	40.8 Å²	40.8	3%	0.032	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-81.7	-2.5	175.5	-57.4	-52.2	0	0	0	112.8	I99 H103 L126 T127 Q128 Y134 V156	I99-D130 WeakPolarHBondContact CG2-OD1 3.44Å; H103-D130 IonicContact CE1-OD1 2.78Å; H103-D130 IonicContact CE1-OD2 3.51Å; H103-D130 PolarHBondContact CE1-OD2 2.86Å; H103-D130 VanDerWaalsContact CE1-OD2 3.27Å; H103-D130 IonicContact NE2-OD2 2.53Å; L126-D130 HydrophobicContact CB-CB 4.27Å; L126-D130 HydrophobicContact CD2-CB 3.85Å; T127-D130 PolarHBondContact N-OD2 3.07Å; T127-D130 WeakPolarHBondContact O-CA 3.46Å; T127-D130 VanDerWaalsContact O-CB 3.32Å; T127-D130 WeakPolarHBondContact O-CB 3.34Å; T127-D130 PolarHBondContact O-N 3.37Å; T127-D130 PolarHBondContact OG1-OD2 3.22Å; Q128-D130 PolarHBondContact O-N 2.66Å; D130-Y134 WeakPolarHBondContact O-CE2 3.36Å; D130-Y134 PolarHBondContact O-OH 3.3Å; D130-V156 HydrophobicContact CB-CG2 4.22Å
131	S	68	Low	63.5	Low	37 Å²	37	43.7 Å²	43.7	26%	0.259	23%	0.229	S	C	.	.			trans	-62.7	143.6	167.9	-50.9	0	0	0	0	110.2	Q128 N129 L154 V156	Q128-S131 VanDerWaalsContact O-CB 3.27Å; Q128-S131 WeakPolarHBondContact O-CB 3.27Å; Q128-S131 PolarHBondContact O-N 3.48Å; Q128-S131 PolarHBondContact O-OG 3.42Å; N129-S131 PolarHBondContact O-N 3.45Å; S131-L154 CarbonylContact C-O 3.52Å; S131-L154 WeakPolarHBondContact CA-O 3.23Å; S131-V156 PolarHBondContact OG-N 3.39Å
132	G	62.3	Low	62.4	Low	17 Å²	17	47.5 Å²	47.5	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-167.8	179.2	0	0	0	0	0	113.8	Y134 K153 L154	G132-Y134 WeakPolarHBondContact O-CD2 3.4Å; G132-K153 WeakPolarHBondContact O-CA 3.35Å; G132-L154 PolarHBondContact N-O 3.39Å; G132-L154 PolarHBondContact O-N 2.77Å
133	L	59	Low	61.3	Low	30 Å²	30	49.2 Å²	49.2	16%	0.157	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.1	176.3	-169.5	69.4	0	0	0	110.6	L63 I68 M152 K153	L63-L133 HydrophobicContact CD1-CB 4.47Å; L63-L133 HydrophobicContact CD1-CD2 3.7Å; L63-L133 HydrophobicContact CD1-CG 3.97Å; L63-L133 PolarHBondContact N-O 2.9Å; I68-L133 HydrophobicContact CD1-CD2 4.24Å; I68-L133 HydrophobicContact CG1-CD2 3.55Å; L133-M152 CarbonylContact C-O 3.49Å; L133-K153 HydrophobicContact CD1-CB 4.42Å
134	Y	65.2	Low	60.1	Low	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.9	-177.7	-72.6	-94.7	0	0	0	110.6	I60 Y61 K62 L96 D130 G132 Y151 M152 L154	I60-Y134 HydrophobicContact CG2-CD1 3.62Å; I60-Y134 HydrophobicContact CG2-CE1 4.39Å; I60-Y134 HydrophobicContact CG2-CG 4.25Å; Y61-Y134 CarbonylContact O-C 3.58Å; Y61-Y134 WeakPolarHBondContact O-CA 3.34Å; K62-Y134 HydrophobicContact CB-CD1 3.87Å; K62-Y134 HydrophobicContact CB-CE1 3.43Å; K62-Y134 VanDerWaalsContact CB-CE1 3.43Å; K62-Y134 HydrophobicContact CD-CE1 4.29Å; K62-Y134 HydrophobicContact CG-CD1 4.26Å; K62-Y134 HydrophobicContact CG-CE1 3.71Å; K62-Y134 HydrophobicContact CG-CE2 4.12Å; L96-Y134 HydrophobicContact CD1-CD1 4.09Å; L96-Y134 HydrophobicContact CD1-CE1 3.34Å; D130-Y134 WeakPolarHBondContact O-CE2 3.36Å; D130-Y134 PolarHBondContact O-OH 3.3Å; G132-Y134 WeakPolarHBondContact O-CD2 3.4Å; Y134-Y151 CarbonylContact O-C 3.46Å; Y134-Y151 VanDerWaalsContact O-CA 3.26Å; Y134-Y151 WeakPolarHBondContact O-CA 3.27Å; Y134-M152 WeakPolarHBondContact CA-O 3.46Å; Y134-M152 WeakPolarHBondContact CB-O 3.34Å; Y134-M152 HydrophobicContact CD2-CE 4.11Å; Y134-M152 HydrophobicContact CG-CE 3.86Å; Y134-M152 PolarHBondContact N-O 2.99Å; Y134-M152 PolarHBondContact O-N 3.23Å; Y134-L154 HydrophobicContact CD2-CB 3.75Å; Y134-L154 HydrophobicContact CE2-CB 3.65Å; Y134-L154 HydrophobicContact CE2-CD2 3.89Å; Y134-L154 HydrophobicContact CE2-CG 4.35Å
135	Y	62	Low	58.7	Low	54 Å²	54	62.5 Å²	62.5	21%	0.212	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.5	168.5	173.3	-109.5	0	0	0	109	I60 Y61 R137 S149 Y151	I60-Y135 CarbonylContact C-O 3.48Å; I60-Y135 WeakPolarHBondContact CA-O 3.24Å; Y61-Y135 AromaticContact CD2-CD1 3.77Å; Y61-Y135 HydrophobicContact CD2-CD1 3.77Å; Y61-Y135 HydrophobicContact CD2-CE1 4.41Å; Y61-Y135 WeakPolarHBondContact CD2-O 3.42Å; Y61-Y135 HydrophobicContact CE2-CD1 4.43Å; Y61-Y135 HydrophobicContact CG-CD1 4.48Å; Y61-Y135 PolarHBondContact N-O 2.76Å; Y61-Y135 PolarHBondContact O-N 3.31Å; Y135-R137 HydrophobicContact CE1-CB 4.4Å; Y135-S149 WeakPolarHBondContact OH-CB 3.49Å; Y135-S149 PolarHBondContact OH-OG 3.2Å; Y135-Y151 HydrophobicContact CD2-CD1 4.05Å; Y135-Y151 AromaticContact CD2-CE1 3.63Å; Y135-Y151 HydrophobicContact CD2-CE1 3.63Å; Y135-Y151 HydrophobicContact CD2-CE2 4.44Å; Y135-Y151 AromaticContact CD2-CZ 3.86Å; Y135-Y151 HydrophobicContact CG-CE1 4.29Å
136	C	63.3	Low	57.6	Low	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.2	-175.7	-56.3	0	0	0	0	110.5	G59 I60 S149 T150	G59-C136 CarbonylContact O-C 3.36Å; G59-C136 VanDerWaalsContact O-CA 3.31Å; G59-C136 WeakPolarHBondContact O-CA 3.44Å; I60-C136 HydrophobicContact CG1-CB 4.44Å; C136-S149 CarbonylContact O-C 3.49Å; C136-S149 VanDerWaalsContact O-CA 3.25Å; C136-S149 WeakPolarHBondContact O-CA 3.41Å; C136-T150 HydrophobicContact CB-CG2 4.08Å; C136-T150 PolarHBondContact N-O 2.8Å; C136-T150 PolarHBondContact O-N 3.2Å
137	R	61.6	Low	56.4	Low	50 Å²	50	68 Å²	68	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.2	-178.2	-177.8	173.4	178	162.6	-6	112.3	L58 G59 Q78 Y135 I139 P147 M148	L58-R137 CarbonylContact C-O 3.54Å; L58-R137 WeakPolarHBondContact CA-O 3.48Å; G59-R137 PolarHBondContact N-O 3.08Å; G59-R137 PolarHBondContact O-N 2.9Å; Q78-R137 VanDerWaalsContact OE1-CZ 3.31Å; Y135-R137 HydrophobicContact CE1-CB 4.4Å; R137-I139 HydrophobicContact CG-CG1 4.38Å; R137-P147 VanDerWaalsContact NE-CB 3.35Å; R137-M148 WeakPolarHBondContact CA-O 3.46Å
138	F	60.3	Low	55.6	Low	9 Å²	9	68 Å²	68	4%	0.039	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.4	173.5	-165.6	-97.7	0	0	0	111.2	F29 L49 L58 F119 V140 M148	F29-F138 HydrophobicContact CD2-CB 4.11Å; F29-F138 HydrophobicContact CE2-CB 3.44Å; F29-F138 VanDerWaalsContact CE2-CB 3.44Å; F29-F138 HydrophobicContact CE2-CD2 4.27Å; F29-F138 AromaticContact CE2-CG 3.97Å; F29-F138 HydrophobicContact CE2-CG 3.97Å; F29-F138 HydrophobicContact CZ-CB 3.96Å; L49-F138 HydrophobicContact CD1-CD1 4.27Å; L49-F138 HydrophobicContact CD1-CE1 3.6Å; L49-F138 HydrophobicContact CD1-CE2 4.07Å; L49-F138 HydrophobicContact CD1-CZ 3.48Å; L49-F138 VanDerWaalsContact CD1-CZ 3.48Å; L49-F138 HydrophobicContact CD2-CD1 4.44Å; L49-F138 HydrophobicContact CD2-CE1 4.45Å; L58-F138 HydrophobicContact CB-CD2 4.32Å; L58-F138 HydrophobicContact CD1-CD2 4.43Å; F119-F138 HydrophobicContact CE2-CZ 4.38Å; F138-V140 HydrophobicContact CD1-CG2 3.95Å; F138-V140 HydrophobicContact CE1-CG2 3.71Å; F138-M148 PolarHBondContact N-O 3.41Å; F138-M148 VanDerWaalsContact N-O 3.11Å
139	I	56	Low	55.1	Low	80 Å²	80	64.4 Å²	64.4	41%	0.41	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.4	-170.5	-53.5	172.5	0	0	0	109.1	G56 V57 R137	G56-I139 CarbonylContact C-O 3.56Å; G56-I139 WeakPolarHBondContact CA-O 3.3Å; V57-I139 PolarHBondContact N-O 3Å; V57-I139 WeakPolarHBondContact O-CB 3.37Å; V57-I139 PolarHBondContact O-N 3.48Å; R137-I139 HydrophobicContact CG-CG1 4.38Å
140	V	55.2	Low	54.6	Low	30 Å²	30	60.2 Å²	60.2	18%	0.182	34%	0.343	C	S	.	.			trans	-101	127.4	175.4	179.9	0	0	0	0	109.2	L53 F138 G142	L53-V140 HydrophobicContact CB-CG2 4.27Å; L53-V140 HydrophobicContact CD1-CG2 4.12Å; L53-V140 HydrophobicContact CD2-CG1 4.19Å; L53-V140 HydrophobicContact CD2-CG2 4.24Å; L53-V140 HydrophobicContact CG-CG2 4.44Å; F138-V140 HydrophobicContact CD1-CG2 3.95Å; F138-V140 HydrophobicContact CE1-CG2 3.71Å; V140-G142 PolarHBondContact O-N 3.38Å
141	P	45.6	Very low	53.9	Low	92 Å²	92	64.6 Å²	64.6	60%	0.597	36%	0.359	S	S	*	.	S	Bend	trans	-71.4	126.4	176.6	-15.8	31.2	0	0	0	111.9	D55	D55-P141 WeakPolarHBondContact O-CD 3.5Å
142	G	43.3	Very low	53.4	Low	81 Å²	81	63 Å²	63	84%	0.835	35%	0.348	S	S	*	.	S	Bend	trans	95.5	-4	160.2	0	0	0	0	0	118.3	V140	V140-G142 PolarHBondContact O-N 3.38Å
143	E	39.5	Very low	53.2	Low	134 Å²	134	69 Å²	69	63%	0.626	37%	0.369	S	S	*	.			trans	-114.4	139.4	172.3	-74.4	-169.5	164.4	0	0	112.3	S145	E143-S145 PolarHBondContact O-N 2.98Å
144	Y	40.5	Very low	53.5	Low	246 Å²	246	67.9 Å²	67.9	97%	0.965	36%	0.363	S	S	*	.			trans	-74.7	45	176.5	-65.4	-86.2	0	0	0	112.4
145	S	36.6	Very low	53.3	Low	65 Å²	65	74 Å²	74	46%	0.455	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-83.6	132.3	173.2	52.9	0	0	0	0	109.9	E143	E143-S145 PolarHBondContact O-N 2.98Å
146	T	43.3	Very low	53.5	Low	114 Å²	114	72 Å²	72	70%	0.699	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-60.3	140.7	175.3	39.3	0	0	0	0	110.5
147	P	46.2	Very low	53.5	Low	61 Å²	61	76.5 Å²	76.5	40%	0.396	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-77.6	139.1	-161.2	0.4	14.6	0	0	0	113.5	R137	R137-P147 VanDerWaalsContact NE-CB 3.35Å
148	M	52.6	Low	53.6	Low	48 Å²	48	79.5 Å²	79.5	24%	0.236	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	111.6	178	-64.7	158.4	172.8	0	0	110.3	V28 F29 L49 R137 F138	V28-M148 HydrophobicContact CB-CE 3.74Å; V28-M148 HydrophobicContact CG1-CE 3.5Å; F29-M148 HydrophobicContact CB-CB 3.92Å; F29-M148 HydrophobicContact CB-CE 4.12Å; F29-M148 HydrophobicContact CB-CG 3.75Å; F29-M148 HydrophobicContact CB-SD 3.36Å; F29-M148 WeakPolarHBondContact CB-SD 3.35Å; F29-M148 HydrophobicContact CD1-CB 3.79Å; F29-M148 HydrophobicContact CD2-CB 4.26Å; F29-M148 HydrophobicContact CD2-SD 4.11Å; F29-M148 HydrophobicContact CE1-CB 4.34Å; F29-M148 HydrophobicContact CG-CB 3.75Å; F29-M148 HydrophobicContact CG-CG 4.16Å; F29-M148 HydrophobicContact CG-SD 3.93Å; L49-M148 HydrophobicContact CD2-SD 4.4Å; R137-M148 WeakPolarHBondContact CA-O 3.46Å; F138-M148 PolarHBondContact N-O 3.41Å; F138-M148 VanDerWaalsContact N-O 3.11Å
149	S	57.9	Low	53.5	Low	61 Å²	61	85.8 Å²	85.8	43%	0.427	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.1	-176.9	58.7	0	0	0	0	113.3	Y135 C136	Y135-S149 WeakPolarHBondContact OH-CB 3.49Å; Y135-S149 PolarHBondContact OH-OG 3.2Å; C136-S149 CarbonylContact O-C 3.49Å; C136-S149 VanDerWaalsContact O-CA 3.25Å; C136-S149 WeakPolarHBondContact O-CA 3.41Å
150	T	57.5	Low	53.4	Low	50 Å²	50	83 Å²	83	31%	0.307	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	172.3	-179.4	-169.3	0	0	0	0	111.5	F31 C136	F31-T150 HydrophobicContact CB-CG2 3.7Å; F31-T150 HydrophobicContact CD1-CG2 3.99Å; F31-T150 HydrophobicContact CG-CG2 4Å; C136-T150 HydrophobicContact CB-CG2 4.08Å; C136-T150 PolarHBondContact N-O 2.8Å; C136-T150 PolarHBondContact O-N 3.2Å
151	Y	56.1	Low	53.1	Low	97 Å²	97	85.5 Å²	85.5	38%	0.38	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.1	176.1	-62.5	-87.5	0	0	0	111.3	L63 Y134 Y135	L63-Y151 HydrophobicContact CD1-CD1 4.14Å; L63-Y151 HydrophobicContact CD1-CE1 4.07Å; Y134-Y151 CarbonylContact O-C 3.46Å; Y134-Y151 VanDerWaalsContact O-CA 3.26Å; Y134-Y151 WeakPolarHBondContact O-CA 3.27Å; Y135-Y151 HydrophobicContact CD2-CD1 4.05Å; Y135-Y151 AromaticContact CD2-CE1 3.63Å; Y135-Y151 HydrophobicContact CD2-CE1 3.63Å; Y135-Y151 HydrophobicContact CD2-CE2 4.44Å; Y135-Y151 AromaticContact CD2-CZ 3.86Å; Y135-Y151 HydrophobicContact CG-CE1 4.29Å
152	M	58.5	Low	53.1	Low	3 Å²	3	87.1 Å²	87.1	2%	0.015	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.6	-178.4	168.6	-177.7	73.6	0	0	109.9	F31 V36 F45 I60 L133 Y134 L154	F31-M152 HydrophobicContact CE1-CB 4.12Å; F31-M152 HydrophobicContact CE1-CG 4.28Å; F31-M152 HydrophobicContact CE1-SD 3.69Å; F31-M152 HydrophobicContact CZ-SD 3.85Å; V36-M152 HydrophobicContact CG2-SD 3.92Å; F45-M152 HydrophobicContact CD1-CE 4.33Å; F45-M152 HydrophobicContact CD1-SD 4.06Å; F45-M152 HydrophobicContact CE1-CE 3.63Å; F45-M152 HydrophobicContact CE1-SD 3.71Å; I60-M152 HydrophobicContact CG2-CE 4.25Å; L133-M152 CarbonylContact C-O 3.49Å; Y134-M152 WeakPolarHBondContact CA-O 3.46Å; Y134-M152 WeakPolarHBondContact CB-O 3.34Å; Y134-M152 HydrophobicContact CD2-CE 4.11Å; Y134-M152 HydrophobicContact CG-CE 3.86Å; Y134-M152 PolarHBondContact N-O 2.99Å; Y134-M152 PolarHBondContact O-N 3.23Å; M152-L154 HydrophobicContact CE-CB 4.29Å
153	K	57.7	Low	53.3	Low	144 Å²	144	90.4 Å²	90.4	63%	0.626	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.6	163.8	-170	-176.3	-179.7	-157	0	108.5	G132 L133 E155	G132-K153 WeakPolarHBondContact O-CA 3.35Å; L133-K153 HydrophobicContact CD1-CB 4.42Å; K153-E155 VanDerWaalsContact CE-OE1 3.28Å; K153-E155 WeakPolarHBondContact CE-OE1 3.38Å; K153-E155 IonicContact NZ-OE1 3.94Å; K153-E155 PolarHBondContact NZ-OE1 3.05Å
154	L	64.1	Low	53.5	Low	7 Å²	7	91 Å²	91	4%	0.037	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.4	176.6	179	66.5	0	0	0	109.1	V36 Y43 F45 L126 S131 G132 Y134 M152 V156	V36-L154 HydrophobicContact CG1-CD1 4.02Å; Y43-L154 HydrophobicContact CD1-CD1 4.19Å; Y43-L154 HydrophobicContact CE1-CD1 4.32Å; F45-L154 HydrophobicContact CZ-CD2 4.44Å; L126-L154 HydrophobicContact CD1-CD2 3.71Å; S131-L154 CarbonylContact C-O 3.52Å; S131-L154 WeakPolarHBondContact CA-O 3.23Å; G132-L154 PolarHBondContact N-O 3.39Å; G132-L154 PolarHBondContact O-N 2.77Å; Y134-L154 HydrophobicContact CD2-CB 3.75Å; Y134-L154 HydrophobicContact CE2-CB 3.65Å; Y134-L154 HydrophobicContact CE2-CD2 3.89Å; Y134-L154 HydrophobicContact CE2-CG 4.35Å; M152-L154 HydrophobicContact CE-CB 4.29Å; L154-V156 HydrophobicContact CD2-CG2 4.32Å; L154-V156 HydrophobicContact CG-CG2 4.33Å
155	E	61.5	Low	53.7	Low	129 Å²	129	83.8 Å²	83.8	60%	0.603	44%	0.444	S	S	*	.			trans	-114.5	116.9	169.7	-72.4	177.3	-169	0	0	108.2	K153 N157	K153-E155 VanDerWaalsContact CE-OE1 3.28Å; K153-E155 WeakPolarHBondContact CE-OE1 3.38Å; K153-E155 IonicContact NZ-OE1 3.94Å; K153-E155 PolarHBondContact NZ-OE1 3.05Å; E155-N157 PolarHBondContact O-N 3.41Å
156	V	65.7	Low	53.9	Low	11 Å²	11	88.3 Å²	88.3	7%	0.067	46%	0.458	C	S	.	.			trans	-82.3	115.2	-176.6	177.8	0	0	0	0	109.1	Y43 L126 T127 D130 S131 L154 M158	Y43-V156 HydrophobicContact CE2-CG1 4.1Å; Y43-V156 WeakPolarHBondContact OH-CA 3.44Å; Y43-V156 WeakPolarHBondContact OH-CG1 3.44Å; L126-V156 HydrophobicContact CB-CG1 4.1Å; L126-V156 HydrophobicContact CB-CG2 3.96Å; L126-V156 HydrophobicContact CD1-CG2 4.27Å; T127-V156 WeakPolarHBondContact O-CB 3.37Å; T127-V156 WeakPolarHBondContact O-CG1 3.49Å; T127-V156 WeakPolarHBondContact O-CG2 3.38Å; D130-V156 HydrophobicContact CB-CG2 4.22Å; S131-V156 PolarHBondContact OG-N 3.39Å; L154-V156 HydrophobicContact CD2-CG2 4.32Å; L154-V156 HydrophobicContact CG-CG2 4.33Å; V156-M158 HydrophobicContact CG1-SD 4.21Å
157	N	64.1	Low	53.9	Low	94 Å²	94	89.6 Å²	89.6	50%	0.503	46%	0.46	S	S	.	.			trans	-93.5	106.1	176.8	-173.9	-6.6	0	0	0	110.9	Y43 E155 N159	Y43-N157 PolarHBondContact OH-N 3.22Å; E155-N157 PolarHBondContact O-N 3.41Å; N157-N159 PolarHBondContact O-N 3.25Å; N157-N159 WeakPolarHBondContact OD1-CB 3.45Å; N157-N159 PolarHBondContact OD1-N 3.48Å
158	M	63.3	Low	53.7	Low	113 Å²	113	90.1 Å²	90.1	56%	0.557	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.9	178.8	-61.9	-67.5	-88.2	0	0	113.5	Q128 V156	Q128-M158 HydrophobicContact CB-CG 4.32Å; V156-M158 HydrophobicContact CG1-SD 4.21Å
159	N	58.6	Low	53.2	Low	141 Å²	141	93.4 Å²	93.4	75%	0.754	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	19.3	-178.1	-67.3	-23	0	0	0	113.4	N157 P161	N157-N159 PolarHBondContact O-N 3.25Å; N157-N159 WeakPolarHBondContact OD1-CB 3.45Å; N157-N159 PolarHBondContact OD1-N 3.48Å; N159-P161 WeakPolarHBondContact O-CD 3.5Å
160	C	54.6	Low	52.4	Low	21 Å²	21	96 Å²	96	14%	0.142	48%	0.48	C	S	.	.			trans	-61.8	124.8	180	-171.3	0	0	0	0	111.5	C38 K162	C38-C160 HydrophobicContact CB-CB 4.29Å; C38-C160 PolarHBondContact O-SG 3.09Å; C38-C160 WeakPolarHBondContact SG-CB 3.39Å; C160-K162 PolarHBondContact O-N 2.82Å; C160-K162 VanDerWaalsContact O-N 3.15Å
161	P	47.4	Very low	51.4	Low	83 Å²	83	103.9 Å²	103.9	54%	0.539	50%	0.504	S	S	.	.			trans	-64.3	114.5	-176.4	-19.4	30.1	0	0	0	112.4	N159 L163 L165	N159-P161 WeakPolarHBondContact O-CD 3.5Å; P161-L163 PolarHBondContact O-N 3.03Å; P161-L165 HydrophobicContact CB-CD1 4.42Å; P161-L165 HydrophobicContact CG-CD1 4.33Å
162	K	45.6	Very low	50.6	Low	126 Å²	126	107.1 Å²	107.1	55%	0.548	52%	0.516	S	S	.	.	S	Bend	trans	-78.6	-1	-165	-72.7	-166.7	175.1	-164.7	0	118.2	D41 C160	D41-K162 WeakPolarHBondContact OD1-CE 3.32Å; D41-K162 IonicContact OD1-NZ 3.62Å; D41-K162 PolarHBondContact OD1-NZ 2.86Å; D41-K162 IonicContact OD2-NZ 3.4Å; D41-K162 PolarHBondContact OD2-NZ 3.37Å; C160-K162 PolarHBondContact O-N 2.82Å; C160-K162 VanDerWaalsContact O-N 3.15Å
163	L	48.4	Very low	49.6	Very low	151 Å²	151	111.1 Å²	111.1	79%	0.791	53%	0.531	S	S	*	.	S	Bend	trans	-151.7	-20.4	-177.5	-100.8	127.2	0	0	0	118.5	P161	P161-L163 PolarHBondContact O-N 3.03Å
164	I	44.2	Very low	48.9	Very low	145 Å²	145	112.2 Å²	112.2	74%	0.744	54%	0.535	S	S	*	.	S	Bend	trans	-91.4	-14.3	-168.6	-64.8	171.6	0	0	0	113.5
165	L	43	Very low	48.5	Very low	96 Å²	96	115.2 Å²	115.2	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-83.8	-12.2	-174.2	-77.7	166	0	0	0	115.6	P161 L167 V168 W169	P161-L165 HydrophobicContact CB-CD1 4.42Å; P161-L165 HydrophobicContact CG-CD1 4.33Å; L165-L167 VanDerWaalsContact C-N 3.3Å; L165-L167 PolarHBondContact O-N 3.02Å; L165-V168 HydrophobicContact CD2-CB 4.27Å; L165-V168 HydrophobicContact CD2-CG1 4.49Å; L165-V168 PolarHBondContact O-N 3.39Å; L165-W169 WeakPolarHBondContact O-CB 3.3Å; L165-W169 PolarHBondContact O-N 3.38Å
166	Q	42.2	Very low	47.5	Very low	159 Å²	159	114.2 Å²	114.2	74%	0.743	55%	0.552	S	S	*	*	H	α-helix	trans	-61.3	-37.4	178	-80.9	-176.1	-7.3	0	0	112.5	L170	Q166-L170 PolarHBondContact O-N 3.37Å
167	L	43.1	Very low	46.7	Very low	142 Å²	142	117.3 Å²	117.3	74%	0.743	57%	0.568	S	S	*	*	H	α-helix	trans	-76.3	-38.9	179.3	-73.5	168.4	0	0	0	112.7	L165 W171	L165-L167 VanDerWaalsContact C-N 3.3Å; L165-L167 PolarHBondContact O-N 3.02Å; L167-W171 PolarHBondContact O-N 3.4Å
168	V	40.7	Very low	46	Very low	71 Å²	71	118 Å²	118	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-69.3	-38.1	178.9	179.1	0	0	0	0	110.9	L165 W171 R172	L165-V168 HydrophobicContact CD2-CB 4.27Å; L165-V168 HydrophobicContact CD2-CG1 4.49Å; L165-V168 PolarHBondContact O-N 3.39Å; V168-W171 PolarHBondContact O-N 3.19Å; V168-R172 WeakPolarHBondContact O-CB 3.24Å; V168-R172 PolarHBondContact O-N 3.41Å
169	W	42.8	Very low	45.2	Very low	118 Å²	118	116 Å²	116	45%	0.447	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-41.7	177.1	-174.4	86.8	0	0	0	112.5	L165 W171 R172 R173	L165-W169 WeakPolarHBondContact O-CB 3.3Å; L165-W169 PolarHBondContact O-N 3.38Å; W169-W171 PolarHBondContact O-N 3.2Å; W169-R172 PolarHBondContact O-N 3.08Å; W169-R173 WeakPolarHBondContact O-CB 3.37Å; W169-R173 PolarHBondContact O-N 3.09Å
170	L	40.9	Very low	44.4	Very low	114 Å²	114	118 Å²	118	60%	0.597	56%	0.563	S	S	*	*	H	α-helix	trans	-59.1	-35.3	173.1	-99.4	153	0	0	0	112.7	Q166	Q166-L170 PolarHBondContact O-N 3.37Å
171	W	36.8	Very low	43.7	Very low	217 Å²	217	124 Å²	124	82%	0.822	59%	0.586	S	S	*	*	H	α-helix	trans	-79.7	-41.3	-179.1	-148.6	76.2	0	0	0	112.4	L167 V168 W169	L167-W171 PolarHBondContact O-N 3.4Å; V168-W171 PolarHBondContact O-N 3.19Å; W169-W171 PolarHBondContact O-N 3.2Å
172	R	38.5	Very low	43.6	Very low	165 Å²	165	125.9 Å²	125.9	62%	0.623	59%	0.591	S	S	*	*	H	α-helix	trans	-68	-38.7	-177	-143.3	173	179.8	149.4	0.8	112.7	V168 W169 K174 S175 E176	V168-R172 WeakPolarHBondContact O-CB 3.24Å; V168-R172 PolarHBondContact O-N 3.41Å; W169-R172 PolarHBondContact O-N 3.08Å; R172-K174 VanDerWaalsContact C-N 3.31Å; R172-K174 PolarHBondContact O-N 3.25Å; R172-S175 PolarHBondContact O-N 2.88Å; R172-S175 VanDerWaalsContact O-N 3.08Å; R172-E176 IonicContact NE-OE1 2.99Å; R172-E176 PolarHBondContact O-N 3.49Å
173	R	38.8	Very low	43.6	Very low	86 Å²	86	124.2 Å²	124.2	33%	0.325	59%	0.588	S	S	.	*	H	α-helix	trans	-66.2	-27.1	-177.3	-157.6	174.9	178.8	-175.9	-8.6	113.9	D113 W169	D113-R173 IonicContact OD2-NH2 2.73Å; W169-R173 WeakPolarHBondContact O-CB 3.37Å; W169-R173 PolarHBondContact O-N 3.09Å
174	K	42.5	Very low	43.2	Very low	167 Å²	167	120.6 Å²	120.6	73%	0.726	58%	0.575	S	S	*	*	H	α-helix	trans	-74	-25.9	174.1	-82.3	-170.7	175.5	-177.7	0	113.1	R172 I178	R172-K174 VanDerWaalsContact C-N 3.31Å; R172-K174 PolarHBondContact O-N 3.25Å; K174-I178 WeakPolarHBondContact O-CD1 3.07Å
175	S	55.2	Low	43.2	Very low	70 Å²	70	118.9 Å²	118.9	49%	0.49	57%	0.566	S	S	.	*	H	α-helix	trans	-82.2	-45.1	-176.4	-171.3	0	0	0	0	112.4	R172 I177 I178 T179	R172-S175 PolarHBondContact O-N 2.88Å; R172-S175 VanDerWaalsContact O-N 3.08Å; S175-I177 PolarHBondContact O-N 3.14Å; S175-I178 PolarHBondContact O-N 3.49Å; S175-T179 PolarHBondContact O-N 3.04Å; S175-T179 PolarHBondContact O-OG1 3.15Å
176	E	41.3	Very low	43	Very low	108 Å²	108	116.1 Å²	116.1	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-69.9	-33.2	-172.3	-73.7	170.8	-179.9	0	0	114	R172 I178 T179 Y180	R172-E176 IonicContact NE-OE1 2.99Å; R172-E176 PolarHBondContact O-N 3.49Å; E176-I178 VanDerWaalsContact C-N 3.27Å; E176-I178 PolarHBondContact O-N 3.4Å; E176-T179 PolarHBondContact O-N 2.66Å; E176-Y180 PolarHBondContact O-N 3.45Å; E176-Y180 VanDerWaalsContact O-N 3.13Å
177	I	48	Very low	42.6	Very low	77 Å²	77	117.4 Å²	117.4	40%	0.395	56%	0.559	S	S	.	*	H	α-helix	trans	-64.1	-33.2	176.6	-68	171.9	0	0	0	111.6	S175	S175-I177 PolarHBondContact O-N 3.14Å
178	I	50	Low	42.5	Very low	108 Å²	108	113.7 Å²	113.7	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-73.7	-42.2	179.7	-63.2	173.6	0	0	0	109.9	K174 S175 E176 K181 L182	K174-I178 WeakPolarHBondContact O-CD1 3.07Å; S175-I178 PolarHBondContact O-N 3.49Å; E176-I178 VanDerWaalsContact C-N 3.27Å; E176-I178 PolarHBondContact O-N 3.4Å; I178-K181 PolarHBondContact O-N 3.13Å; I178-L182 HydrophobicContact CG2-CD1 4.49Å; I178-L182 PolarHBondContact O-N 3.04Å
179	T	47.2	Very low	42.4	Very low	71 Å²	71	115.4 Å²	115.4	44%	0.436	55%	0.551	S	S	.	*	H	α-helix	trans	-64.8	-43	-179.2	-50.7	0	0	0	0	112.4	S175 E176 K181 L182 I183	S175-T179 PolarHBondContact O-N 3.04Å; S175-T179 PolarHBondContact O-OG1 3.15Å; E176-T179 PolarHBondContact O-N 2.66Å; T179-K181 PolarHBondContact O-N 3.22Å; T179-L182 PolarHBondContact O-N 2.78Å; T179-I183 HydrophobicContact CG2-CD1 4.06Å; T179-I183 WeakPolarHBondContact O-CG1 3.41Å; T179-I183 PolarHBondContact O-N 3.35Å
180	Y	40.9	Very low	42.2	Very low	182 Å²	182	115.6 Å²	115.6	71%	0.714	56%	0.557	S	S	*	*	H	α-helix	trans	-65.6	-35.3	-179.3	-109.1	-80.8	0	0	0	113.3	E176 L182 I183 S184	E176-Y180 PolarHBondContact O-N 3.45Å; E176-Y180 VanDerWaalsContact O-N 3.13Å; Y180-L182 VanDerWaalsContact C-N 3.33Å; Y180-L182 PolarHBondContact O-N 2.95Å; Y180-I183 PolarHBondContact O-N 2.96Å; Y180-S184 PolarHBondContact O-N 2.69Å
181	K	40.3	Very low	42	Very low	148 Å²	148	118.8 Å²	118.8	64%	0.643	56%	0.562	S	S	*	*	H	α-helix	trans	-65	-36.4	176.6	-78.6	-177	175.8	-178.4	0	112.4	I178 T179 I185	I178-K181 PolarHBondContact O-N 3.13Å; T179-K181 PolarHBondContact O-N 3.22Å; K181-I185 WeakPolarHBondContact O-CD1 3.05Å; K181-I185 WeakPolarHBondContact O-CG1 3.05Å; K181-I185 PolarHBondContact O-N 2.85Å
182	L	46.1	Very low	41.9	Very low	122 Å²	122	117.7 Å²	117.7	64%	0.639	56%	0.559	S	S	*	*	H	α-helix	trans	-71.9	-39.7	179.2	-71.1	167.2	0	0	0	112.4	I178 T179 Y180 G186	I178-L182 HydrophobicContact CG2-CD1 4.49Å; I178-L182 PolarHBondContact O-N 3.04Å; T179-L182 PolarHBondContact O-N 2.78Å; Y180-L182 VanDerWaalsContact C-N 3.33Å; Y180-L182 PolarHBondContact O-N 2.95Å; L182-G186 PolarHBondContact O-N 3.28Å
183	I	44.7	Very low	41.6	Very low	92 Å²	92	116.5 Å²	116.5	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-67.3	-39.7	-179.8	-65	169.9	0	0	0	111.6	T179 Y180 G186 R187	T179-I183 HydrophobicContact CG2-CD1 4.06Å; T179-I183 WeakPolarHBondContact O-CG1 3.41Å; T179-I183 PolarHBondContact O-N 3.35Å; Y180-I183 PolarHBondContact O-N 2.96Å; I183-G186 PolarHBondContact O-N 3.42Å; I183-R187 PolarHBondContact O-N 3.05Å; I183-R187 VanDerWaalsContact O-N 3.16Å
184	S	40.9	Very low	41.2	Very low	74 Å²	74	118.3 Å²	118.3	52%	0.517	58%	0.576	S	S	.	*	H	α-helix	trans	-66.2	-38.5	-179.9	-176.1	0	0	0	0	112.9	Y180 S188	Y180-S184 PolarHBondContact O-N 2.69Å; S184-S188 PolarHBondContact O-N 3.24Å; S184-S188 PolarHBondContact O-OG 2.97Å
185	I	44.2	Very low	40.7	Very low	109 Å²	109	114.2 Å²	114.2	56%	0.559	57%	0.573	S	S	*	*	H	α-helix	trans	-65.4	-42.4	175.9	-66.7	168.4	0	0	0	110.6	K181 S188	K181-I185 WeakPolarHBondContact O-CD1 3.05Å; K181-I185 WeakPolarHBondContact O-CG1 3.05Å; K181-I185 PolarHBondContact O-N 2.85Å; I185-S188 PolarHBondContact O-N 2.93Å
186	G	38.5	Very low	39.6	Very low	39 Å²	39	116.7 Å²	116.7	40%	0.402	59%	0.586	S	S	.	*	H	α-helix	trans	-60.1	-46.6	177.6	0	0	0	0	0	113.2	L182 I183 S188 I189	L182-G186 PolarHBondContact O-N 3.28Å; I183-G186 PolarHBondContact O-N 3.42Å; G186-S188 VanDerWaalsContact C-N 3.32Å; G186-S188 PolarHBondContact O-N 2.87Å; G186-I189 PolarHBondContact O-N 3Å
187	R	33.9	Very low	39.1	Very low	185 Å²	185	116.7 Å²	116.7	70%	0.698	59%	0.593	S	S	*	*	H	α-helix	trans	-69.5	-26.9	-178.2	-73.7	-158.9	172.7	-177.5	-0.3	114.3	I183 I189 Y191	I183-R187 PolarHBondContact O-N 3.05Å; I183-R187 VanDerWaalsContact O-N 3.16Å; R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.15Å; R187-Y191 PolarHBondContact O-N 3.09Å
188	S	40.4	Very low	38.1	Very low	65 Å²	65	116.9 Å²	116.9	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-69.6	-29.2	177.5	-57.2	0	0	0	0	112	S184 I185 G186 Y192	S184-S188 PolarHBondContact O-N 3.24Å; S184-S188 PolarHBondContact O-OG 2.97Å; I185-S188 PolarHBondContact O-N 2.93Å; G186-S188 VanDerWaalsContact C-N 3.32Å; G186-S188 PolarHBondContact O-N 2.87Å; S188-Y192 WeakPolarHBondContact O-CD2 3.44Å
189	I	39	Very low	37	Very low	107 Å²	107	115.8 Å²	115.8	55%	0.549	62%	0.621	S	S	.	*	H	α-helix	trans	-76.2	-41.6	179.1	-62.8	170.5	0	0	0	111	G186 R187 Y191 Y192	G186-I189 PolarHBondContact O-N 3Å; R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.15Å; I189-Y191 PolarHBondContact O-N 2.79Å; I189-Y192 PolarHBondContact O-N 3.36Å
190	E	38.9	Very low	36	Very low	122 Å²	122	120.9 Å²	120.9	57%	0.57	64%	0.64	S	S	*	*	H	α-helix	trans	-62.4	-40.4	177.3	-88.8	-178.4	153.3	0	0	112.7	Y192 Q193 L194	E190-Y192 VanDerWaalsContact C-N 3.3Å; E190-Y192 PolarHBondContact O-N 2.71Å; E190-Q193 PolarHBondContact O-N 2.91Å; E190-L194 PolarHBondContact O-N 2.97Å
191	Y	36.7	Very low	35.3	Very low	181 Å²	181	118.9 Å²	118.9	71%	0.71	64%	0.64	S	S	*	*	H	α-helix	trans	-63.3	-34.1	-176.3	-170	-98.9	0	0	0	112.9	R187 I189	R187-Y191 PolarHBondContact O-N 3.09Å; I189-Y191 PolarHBondContact O-N 2.79Å
192	Y	33.8	Very low	34.6	Very low	193 Å²	193	115.9 Å²	115.9	76%	0.757	64%	0.638	S	S	*	*	H	α-helix	trans	-78.9	-22.3	179.3	-87.5	-80.7	0	0	0	113.9	S188 I189 E190	S188-Y192 WeakPolarHBondContact O-CD2 3.44Å; I189-Y192 PolarHBondContact O-N 3.36Å; E190-Y192 VanDerWaalsContact C-N 3.3Å; E190-Y192 PolarHBondContact O-N 2.71Å
193	Q	32.2	Very low	33.6	Very low	141 Å²	141	116.5 Å²	116.5	66%	0.659	64%	0.642	S	S	*	*	H	α-helix	trans	-82.6	-25.5	178.9	-80	-178.9	-30	0	0	113.4	E190 T196	E190-Q193 PolarHBondContact O-N 2.91Å; Q193-T196 PolarHBondContact O-OG1 2.66Å
194	L	31.1	Very low	32.7	Very low	123 Å²	123	118 Å²	118	64%	0.644	65%	0.651	S	S	*	*	H	α-helix	trans	-89.5	-18.6	-174.2	-90.6	148.3	0	0	0	114.5	E190 T196	E190-L194 PolarHBondContact O-N 2.97Å; L194-T196 PolarHBondContact O-N 2.81Å
195	A	32	Very low	32	Very low	82 Å²	82	119.9 Å²	119.9	68%	0.678	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-10.4	-179.8	0	0	0	0	0	114.1
196	T	31.8	Very low	31.1	Very low	121 Å²	121	121.9 Å²	121.9	74%	0.742	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-4.1	-176.6	46.2	0	0	0	0	115	Q193 L194	Q193-T196 PolarHBondContact O-OG1 2.66Å; L194-T196 PolarHBondContact O-N 2.81Å
197	T	29.6	Very low	30.5	Very low	108 Å²	108	124.2 Å²	124.2	66%	0.663	67%	0.672	S	S	*	*	S	Bend	trans	-114.9	8.2	-175.4	48.7	0	0	0	0	114.8	A199	T197-A199 PolarHBondContact O-N 3.31Å; T197-A199 VanDerWaalsContact O-N 3.15Å
198	G	28.4	Very low	30.2	Very low	81 Å²	81	121.6 Å²	121.6	84%	0.835	67%	0.672	S	S	*	*			trans	-85.4	41.5	-173.9	0	0	0	0	0	117.3
199	A	26.5	Very low	29.5	Very low	86 Å²	86	124.1 Å²	124.1	71%	0.711	68%	0.681	S	S	*	*			trans	-125.8	101	169.6	0	0	0	0	0	110.2	T197	T197-A199 PolarHBondContact O-N 3.31Å; T197-A199 VanDerWaalsContact O-N 3.15Å
200	Q	25.7	Very low	28.9	Very low	177 Å²	177	125.3 Å²	125.3	83%	0.827	69%	0.688	S	S	*	*			trans	155.6	148.8	134.9	-77	-145.4	-26.3	0	0	113
201	I	26.5	Very low	28.3	Very low	140 Å²	140	124.5 Å²	124.5	72%	0.718	70%	0.696	S	S	*	*			trans	80.2	96.4	158.4	-39.5	-164.4	0	0	0	114.8
202	S	25.3	Very low	27.7	Very low	85 Å²	85	124 Å²	124	59%	0.594	70%	0.698	S	S	*	*				56.9	110.8	55.6	83.8	0	0	0	0	115.4
203	N	25.2	Very low	27.3	Very low	135 Å²	135	121.2 Å²	121.2	72%	0.722	69%	0.691	S	S	*	*				147.4	144.9	120.9	-85.8	-14.3	0	0	0	115.5
204	N	26.3	Very low	27	Very low	124 Å²	124	120.1 Å²	120.1	66%	0.663	69%	0.69	S	S	*	*			trans	81.1	144.8	144.2	-67.5	-4.6	0	0	0	118.8
205	N	26	Very low	26.8	Very low	113 Å²	113	119.7 Å²	119.7	60%	0.604	69%	0.693	S	S	*	*			cis	-179.3	160.4	-12	-108.2	-12.5	0	0	0	109.1
206	H	26.1	Very low	26.4	Very low	152 Å²	152	121.5 Å²	121.5	70%	0.704	70%	0.695	S	S	*	*			trans	65.2	118	141.5	-75.9	-52.4	0	0	0	121.2
207	S	26.1	Very low	26	Very low	88 Å²	88	119.7 Å²	119.7	62%	0.615	69%	0.688	S	S	*	*				81.3	146.6	74.6	83.4	0	0	0	0	111.6
208	D	26.6	Very low	25.8	Very low	129 Å²	129	121.3 Å²	121.3	69%	0.69	69%	0.692	S	S	*	*			cis	-178.4	143.9	26.2	-110.5	-11.7	0	0	0	106.7
209	N	26	Very low	25.8	Very low	119 Å²	119	126.5 Å²	126.5	64%	0.636	70%	0.697	S	S	*	*				105.7	130.8	103.3	-83.1	-26.4	0	0	0	119.3
210	N	26.1	Very low	25.7	Very low	131 Å²	131	130.1 Å²	130.1	70%	0.701	70%	0.703	S	S	*	*			trans	71.9	119	130.2	-65.9	-16.1	0	0	0	122.8
211	S	25.9	Very low	26	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	69%	0.691	S	S	*	*				90.3	146.9	98.9	77	0	0	0	0	112.5
212	F	24.7	Very low	26.1	Very low	170 Å²	170	125.9 Å²	125.9	75%	0.746	69%	0.694	S	S	*	*			cis	-175.6	156.3	27.2	-154.6	-135.5	0	0	0	109.2
213	E	25.3	Very low	26.4	Very low	134 Å²	134	127.4 Å²	127.4	63%	0.626	70%	0.695	S	S	*	*			trans	73.5	128.4	141.7	-85.7	-173.2	167.6	0	0	128
214	N	25.5	Very low	26.5	Very low	118 Å²	118	129.4 Å²	129.4	63%	0.631	70%	0.699	S	S	*	*				65.4	118.9	129.5	-62.2	-19.8	0	0	0	121.8
215	T	26.5	Very low	26.3	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	71%	0.708	S	S	*	*				168.4	127.4	88.7	42	0	0	0	0	112.3
216	T	24.1	Very low	26.2	Very low	119 Å²	119	132.9 Å²	132.9	73%	0.73	72%	0.715	S	S	*	*			trans	-42.3	136.8	158.2	36.3	0	0	0	0	115.6	E269	T216-E269 VanDerWaalsContact CA-OE1 3.29Å; T216-E269 WeakPolarHBondContact CA-OE1 3.44Å; T216-E269 WeakPolarHBondContact CA-OE2 3.46Å; T216-E269 PolarHBondContact N-OE2 3.28Å
217	S	24.1	Very low	26.2	Very low	84 Å²	84	132.5 Å²	132.5	59%	0.587	72%	0.723	S	S	*	*				-175.3	131.2	126.9	-146.5	0	0	0	0	115.4	E269	S217-E269 PolarHBondContact N-OE1 3.37Å; S217-E269 VanDerWaalsContact N-OE1 3.07Å
218	L	25.2	Very low	26	Very low	142 Å²	142	135.2 Å²	135.2	74%	0.743	73%	0.729	S	S	*	*			trans	61.4	114.5	146.8	-67.2	159.8	0	0	0	119
219	M	27.5	Very low	25.9	Very low	189 Å²	189	136.1 Å²	136.1	93%	0.931	73%	0.734	S	S	*	*				-167.9	113.1	128	-96.8	-79	145.4	0	0	109
220	L	26	Very low	25.7	Very low	162 Å²	162	137.6 Å²	137.6	85%	0.848	74%	0.74	S	S	*	*			trans	-71.5	128.8	-178.1	-78.2	145.5	0	0	0	111.1
221	D	30.4	Very low	25.6	Very low	108 Å²	108	138.3 Å²	138.3	58%	0.578	74%	0.744	S	S	*	*			trans	-76.8	128.4	-177.5	-156.2	0.9	0	0	0	111.6	I223	D221-I223 VanDerWaalsContact C-N 3.31Å; D221-I223 PolarHBondContact O-N 3.18Å
222	P	29.6	Very low	25.5	Very low	121 Å²	121	140.3 Å²	140.3	79%	0.786	75%	0.752	S	S	*	*			trans	-82.3	70.4	-176.4	32.9	-34.6	0	0	0	111.8
223	I	31.1	Very low	25.3	Very low	117 Å²	117	139.5 Å²	139.5	60%	0.6	75%	0.754	S	S	*	*			trans	-92.6	0.5	172.9	-67.1	175.8	0	0	0	112.3	D221	D221-I223 VanDerWaalsContact C-N 3.31Å; D221-I223 PolarHBondContact O-N 3.18Å
224	H	26.9	Very low	25.1	Very low	177 Å²	177	138 Å²	138	82%	0.819	75%	0.754	S	S	*	*			trans	-113.2	65.9	177.6	-74.6	-37.4	0	0	0	113.6
225	K	23.1	Very low	25.1	Very low	193 Å²	193	139.4 Å²	139.4	84%	0.839	77%	0.767	S	S	*	*			trans	-136.7	95.2	147.9	-75.3	-164.3	178.5	178.9	0	110.8	V227	K225-V227 PolarHBondContact O-N 3.47Å
226	P	24.4	Very low	25.3	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	77%	0.774	S	S	*	*			trans	-67.9	121.1	165.6	26.7	-29.4	0	0	0	109.1	I228	P226-I228 VanDerWaalsContact C-N 3.32Å; P226-I228 PolarHBondContact O-N 3.12Å; P226-I228 VanDerWaalsContact O-N 3.17Å
227	V	24.8	Very low	25.4	Very low	145 Å²	145	150.3 Å²	150.3	88%	0.879	78%	0.782	S	S	*	*			trans	-82.2	82.5	167.3	-177.5	0	0	0	0	107.1	K225	K225-V227 PolarHBondContact O-N 3.47Å
228	I	23.4	Very low	25.6	Very low	145 Å²	145	150.3 Å²	150.3	74%	0.744	78%	0.779	S	S	*	*			trans	-129.4	119.4	162.1	-61.1	-178	0	0	0	107.9	P226	P226-I228 VanDerWaalsContact C-N 3.32Å; P226-I228 PolarHBondContact O-N 3.12Å; P226-I228 VanDerWaalsContact O-N 3.17Å
229	N	22.9	Very low	25.7	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	77%	0.771	S	S	*	*			trans	-64.4	125.3	-178.9	-167.5	-8.5	0	0	0	110.4	N231	N229-N231 PolarHBondContact O-N 3.37Å
230	I	23.1	Very low	26.1	Very low	150 Å²	150	147.8 Å²	147.8	77%	0.769	77%	0.766	S	S	*	*			trans	-85.9	102.9	-177.1	-32.5	165.4	0	0	0	106.3
231	N	22.7	Very low	26.5	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	76%	0.757	S	S	*	*			trans	-172.4	63.3	158.4	-90.3	-18.9	0	0	0	111.7	N229	N229-N231 PolarHBondContact O-N 3.37Å
232	T	24.1	Very low	26.5	Very low	148 Å²	148	145.2 Å²	145.2	91%	0.908	75%	0.746	S	S	*	*			trans	-146	127.2	153.8	-42.7	0	0	0	0	109.6
233	I	21.7	Very low	26.8	Very low	153 Å²	153	143.8 Å²	143.8	79%	0.785	73%	0.732	S	S	*	*			trans	-93.6	132.7	-159.5	-79.7	171.4	0	0	0	111.5
234	V	20.7	Very low	27	Very low	104 Å²	104	146 Å²	146	63%	0.63	74%	0.737	S	S	*	*			trans	54.4	122.4	141.9	-175.5	0	0	0	0	120.8	R236	V234-R236 HydrophobicContact CG1-CG 3.8Å
235	T	25.2	Very low	27.3	Very low	146 Å²	146	140.9 Å²	140.9	90%	0.896	72%	0.715	S	S	*	*			trans	-120.2	145.5	134.7	57.1	0	0	0	0	111.3
236	R	29.5	Very low	27.7	Very low	229 Å²	229	137.9 Å²	137.9	86%	0.864	70%	0.702	S	S	*	*			trans	-92.2	106.6	-163.3	-68.7	176.5	172.8	174.7	-2.3	111.6	V234	V234-R236 HydrophobicContact CG1-CG 3.8Å
237	R	27.5	Very low	28.4	Very low	235 Å²	235	139.7 Å²	139.7	89%	0.887	70%	0.7	S	S	*	*			trans	67.4	113.7	162.8	-65	-176.2	176.5	163.9	-0.3	117.4
238	P	28.1	Very low	28.6	Very low	83 Å²	83	142 Å²	142	54%	0.539	69%	0.693	S	S	.	*			trans	-76.9	151.2	175.3	28.4	-30.8	0	0	0	113.4
239	P	27.6	Very low	29.1	Very low	89 Å²	89	144.3 Å²	144.3	58%	0.578	69%	0.694	S	S	*	*			trans	-64.6	141.1	-174.9	-22.1	33.4	0	0	0	114.8	F241 I242	P239-F241 PolarHBondContact O-N 3.42Å; P239-I242 WeakPolarHBondContact O-CB 3.14Å; P239-I242 PolarHBondContact O-N 2.89Å
240	K	35.7	Very low	29.6	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.826	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-19.7	-165.7	-71.1	179.4	176.8	176.1	0	116.4	I242 N243	K240-I242 VanDerWaalsContact C-N 3.3Å; K240-N243 PolarHBondContact O-N 3.18Å
241	F	34.2	Very low	30.2	Very low	148 Å²	148	138.4 Å²	138.4	65%	0.649	67%	0.671	S	S	*	*	H	α-helix	trans	-76.3	-20.9	177.2	120.8	-76.7	0	0	0	112.5	P239 N243 K244 I245	P239-F241 PolarHBondContact O-N 3.42Å; F241-N243 VanDerWaalsContact C-N 3.33Å; F241-N243 PolarHBondContact O-N 3.44Å; F241-K244 PolarHBondContact O-N 2.9Å; F241-I245 HydrophobicContact CD2-CD1 3.29Å; F241-I245 HydrophobicContact CD2-CG1 4.17Å; F241-I245 HydrophobicContact CE2-CD1 3.01Å; F241-I245 HydrophobicContact CE2-CG1 4.29Å; F241-I245 HydrophobicContact CG-CD1 4.25Å; F241-I245 HydrophobicContact CZ-CD1 3.76Å; F241-I245 WeakPolarHBondContact O-CG1 3.19Å; F241-I245 PolarHBondContact O-N 3.17Å; F241-I245 VanDerWaalsContact O-N 3.14Å
242	I	30	Very low	30.6	Very low	68 Å²	68	139 Å²	139	35%	0.349	67%	0.673	S	S	.	*	H	α-helix	trans	-68.2	-27.5	172.1	-66.7	-177	0	0	0	112	P239 K240 K246	P239-I242 WeakPolarHBondContact O-CB 3.14Å; P239-I242 PolarHBondContact O-N 2.89Å; K240-I242 VanDerWaalsContact C-N 3.3Å; I242-K246 HydrophobicContact CG2-CD 4.21Å; I242-K246 HydrophobicContact CG2-CG 4.26Å; I242-K246 WeakPolarHBondContact O-CB 3.48Å; I242-K246 VanDerWaalsContact O-CG 3.24Å; I242-K246 WeakPolarHBondContact O-CG 3.42Å; I242-K246 PolarHBondContact O-N 3.2Å
243	N	36.9	Very low	30.7	Very low	91 Å²	91	143.6 Å²	143.6	49%	0.487	67%	0.674	S	S	.	*	H	α-helix	trans	-74.9	-33.1	177.5	-77.2	-5.4	0	0	0	112.9	K240 F241	K240-N243 PolarHBondContact O-N 3.18Å; F241-N243 VanDerWaalsContact C-N 3.33Å; F241-N243 PolarHBondContact O-N 3.44Å
244	K	35.3	Very low	31	Very low	163 Å²	163	145.7 Å²	145.7	71%	0.709	67%	0.674	S	S	*	*	H	α-helix	trans	-81	-25.7	175.4	-88.1	-177.1	173.1	179.2	0	113.4	F241 R248	F241-K244 PolarHBondContact O-N 2.9Å; K244-R248 PolarHBondContact O-N 3.44Å
245	I	33.3	Very low	31.5	Very low	69 Å²	69	146.8 Å²	146.8	35%	0.354	68%	0.68	S	S	.	*	H	α-helix	trans	-83.9	-30.3	175.3	-67.5	-175.8	0	0	0	111.6	F241 E247 R248 Y249	F241-I245 HydrophobicContact CD2-CD1 3.29Å; F241-I245 HydrophobicContact CD2-CG1 4.17Å; F241-I245 HydrophobicContact CE2-CD1 3.01Å; F241-I245 HydrophobicContact CE2-CG1 4.29Å; F241-I245 HydrophobicContact CG-CD1 4.25Å; F241-I245 HydrophobicContact CZ-CD1 3.76Å; F241-I245 WeakPolarHBondContact O-CG1 3.19Å; F241-I245 PolarHBondContact O-N 3.17Å; F241-I245 VanDerWaalsContact O-N 3.14Å; I245-E247 PolarHBondContact O-N 2.91Å; I245-R248 PolarHBondContact O-N 3.39Å; I245-Y249 PolarHBondContact O-N 3.01Å
246	K	30.3	Very low	31.7	Very low	130 Å²	130	142.8 Å²	142.8	57%	0.565	66%	0.658	S	S	*	*	H	α-helix	trans	-55.7	-31.7	164.4	-91.1	-179.7	171.1	-176.3	0	112.9	I242 T250	I242-K246 HydrophobicContact CG2-CD 4.21Å; I242-K246 HydrophobicContact CG2-CG 4.26Å; I242-K246 WeakPolarHBondContact O-CB 3.48Å; I242-K246 VanDerWaalsContact O-CG 3.24Å; I242-K246 WeakPolarHBondContact O-CG 3.42Å; I242-K246 PolarHBondContact O-N 3.2Å; K246-T250 WeakPolarHBondContact CA-OG1 3.34Å; K246-T250 PolarHBondContact O-OG1 2.8Å
247	E	39.7	Very low	32.3	Very low	154 Å²	154	134.9 Å²	134.9	72%	0.72	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-15.7	-179.4	-76.5	178.3	175.2	0	0	114.6	I245	I245-E247 PolarHBondContact O-N 2.91Å
248	R	29.6	Very low	32.4	Very low	195 Å²	195	129.3 Å²	129.3	74%	0.736	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	-23	-173.4	-78	-174.4	177.9	173.1	-1.6	116.7	K244 I245	K244-R248 PolarHBondContact O-N 3.44Å; I245-R248 PolarHBondContact O-N 3.39Å
249	Y	33.6	Very low	32.7	Very low	192 Å²	192	128.9 Å²	128.9	75%	0.753	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.1	6.1	-169.6	-73.9	-77.1	0	0	0	116.3	I245	I245-Y249 PolarHBondContact O-N 3.01Å
250	T	33.3	Very low	32.8	Very low	76 Å²	76	130.9 Å²	130.9	47%	0.466	62%	0.623	S	S	.	*	S	Bend	trans	-94.7	-1.9	162.7	36.7	0	0	0	0	114	K246	K246-T250 WeakPolarHBondContact CA-OG1 3.34Å; K246-T250 PolarHBondContact O-OG1 2.8Å
251	T	34.5	Very low	32.6	Very low	98 Å²	98	127.1 Å²	127.1	60%	0.601	61%	0.608	S	S	*	*	S	Bend	trans	-84	117.7	160.7	40.6	0	0	0	0	109
252	N	32.8	Very low	32.8	Very low	157 Å²	157	126 Å²	126	84%	0.84	61%	0.608	S	S	*	*	S	Bend	trans	92.7	47.7	168.9	-61	-11.3	0	0	0	119.9
253	R	26.2	Very low	33.1	Very low	245 Å²	245	129.7 Å²	129.7	93%	0.925	62%	0.619	S	S	*	*			trans	-173.5	65	138.7	-105.8	169.2	-173.6	150.2	0.9	111.1
254	Y	27.9	Very low	33	Very low	197 Å²	197	131.1 Å²	131.1	77%	0.773	63%	0.626	S	S	*	*	S	Bend	trans	-97.7	129.1	148.7	-87.9	-90.5	0	0	0	106.3	S256	Y254-S256 PolarHBondContact O-N 3.14Å
255	V	29.5	Very low	33.5	Very low	128 Å²	128	132.2 Å²	132.2	78%	0.776	63%	0.626	S	S	*	*	S	Bend	trans	11.4	106.8	164.8	-175.5	0	0	0	0	112.7	S257	V255-S257 PolarHBondContact O-N 3.33Å
256	S	30.9	Very low	34.5	Very low	61 Å²	61	133.3 Å²	133.3	43%	0.427	63%	0.629	S	S	.	*			trans	-44.4	129.9	-178.2	56.6	0	0	0	0	109.5	Y254 E258 S259	Y254-S256 PolarHBondContact O-N 3.14Å; S256-E258 VanDerWaalsContact CB-OE2 3.25Å; S256-E258 WeakPolarHBondContact CB-OE2 3.28Å; S256-E258 PolarHBondContact O-N 3.26Å; S256-E258 PolarHBondContact OG-OE2 3.23Å; S256-S259 PolarHBondContact O-N 3.38Å
257	S	41.4	Very low	36	Very low	63 Å²	63	130.3 Å²	130.3	44%	0.441	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.3	0.9	164.9	49.9	0	0	0	0	112.3	V255 S259 Q260 Q261	V255-S257 PolarHBondContact O-N 3.33Å; S257-S259 VanDerWaalsContact C-N 3.31Å; S257-S259 PolarHBondContact O-N 3.17Å; S257-Q260 CarbonylContact O-C 3.6Å; S257-Q260 PolarHBondContact O-N 3.06Å; S257-Q261 WeakPolarHBondContact O-CA 3.25Å; S257-Q261 WeakPolarHBondContact O-CB 3.42Å; S257-Q261 WeakPolarHBondContact O-CG 3.34Å; S257-Q261 PolarHBondContact O-N 3.04Å; S257-Q261 PolarHBondContact OG-NE2 3.1Å
258	E	29.4	Very low	37.9	Very low	118 Å²	118	127.1 Å²	127.1	55%	0.551	61%	0.606	S	S	*	*	H	α-helix	trans	-58.8	-35.7	173.3	-72	166.2	148.9	0	0	112.8	S256 L262	S256-E258 VanDerWaalsContact CB-OE2 3.25Å; S256-E258 WeakPolarHBondContact CB-OE2 3.28Å; S256-E258 PolarHBondContact O-N 3.26Å; S256-E258 PolarHBondContact OG-OE2 3.23Å; E258-L262 WeakPolarHBondContact O-CB 3.36Å; E258-L262 WeakPolarHBondContact O-CD1 3.39Å; E258-L262 PolarHBondContact O-N 3.36Å
259	S	33.9	Very low	40.4	Very low	75 Å²	75	121.6 Å²	121.6	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-71.8	-34.8	179.1	-29.5	0	0	0	0	112.5	S256 S257	S256-S259 PolarHBondContact O-N 3.38Å; S257-S259 VanDerWaalsContact C-N 3.31Å; S257-S259 PolarHBondContact O-N 3.17Å
260	Q	30.7	Very low	42.8	Very low	131 Å²	131	117.2 Å²	117.2	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-83.7	-29.3	174.9	-78.9	168.5	-20.8	0	0	112	S257 L262 Y263 N264	S257-Q260 CarbonylContact O-C 3.6Å; S257-Q260 PolarHBondContact O-N 3.06Å; Q260-L262 VanDerWaalsContact C-N 3.35Å; Q260-Y263 PolarHBondContact O-N 2.83Å; Q260-N264 WeakPolarHBondContact O-CB 3.47Å; Q260-N264 PolarHBondContact O-N 3.32Å; Q260-N264 PolarHBondContact O-ND2 3.38Å
261	Q	31.3	Very low	45.4	Very low	111 Å²	111	113.9 Å²	113.9	52%	0.519	56%	0.555	S	S	.	*	H	α-helix	trans	-72.3	-26.9	170.8	-74.9	168.5	-0.7	0	0	111.7	S257 N264 R265	S257-Q261 WeakPolarHBondContact O-CA 3.25Å; S257-Q261 WeakPolarHBondContact O-CB 3.42Å; S257-Q261 WeakPolarHBondContact O-CG 3.34Å; S257-Q261 PolarHBondContact O-N 3.04Å; S257-Q261 PolarHBondContact OG-NE2 3.1Å; Q261-N264 CarbonylContact O-C 3.4Å; Q261-R265 WeakPolarHBondContact O-CA 3.45Å; Q261-R265 WeakPolarHBondContact O-CB 3.46Å; Q261-R265 PolarHBondContact O-N 2.94Å
262	L	38.5	Very low	47.9	Very low	124 Å²	124	112.5 Å²	112.5	65%	0.649	54%	0.543	S	S	*	.	H	α-helix	trans	-70.4	-37.4	171.4	-98.8	144.7	0	0	0	111.9	E258 Q260	E258-L262 WeakPolarHBondContact O-CB 3.36Å; E258-L262 WeakPolarHBondContact O-CD1 3.39Å; E258-L262 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.35Å
263	Y	35.9	Very low	50.7	Low	145 Å²	145	109.4 Å²	109.4	57%	0.569	52%	0.524	S	S	*	.	H	α-helix	trans	-74.8	-35.7	171.4	-107	-93.1	0	0	0	112.4	Q260 R265 R306 L307	Q260-Y263 PolarHBondContact O-N 2.83Å; Y263-R265 VanDerWaalsContact C-N 3.3Å; Y263-R265 PolarHBondContact O-N 3.13Å; Y263-R306 VanDerWaalsContact CE1-O 3.24Å; Y263-R306 WeakPolarHBondContact CE1-O 2.97Å; Y263-L307 PolarHBondContact OH-O 3.24Å
264	N	34.5	Very low	53.9	Low	121 Å²	121	99.3 Å²	99.3	65%	0.647	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	10.7	178.7	-65.2	-14.1	0	0	0	113.6	Q260 Q261 F266	Q260-N264 WeakPolarHBondContact O-CB 3.47Å; Q260-N264 PolarHBondContact O-N 3.32Å; Q260-N264 PolarHBondContact O-ND2 3.38Å; Q261-N264 CarbonylContact O-C 3.4Å; N264-F266 PolarHBondContact O-N 2.94Å
265	R	46.7	Very low	56.9	Low	186 Å²	186	90.6 Å²	90.6	70%	0.702	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.7	179.2	-168.2	171.7	-173.8	136.8	2	112	Q261 Y263	Q261-R265 WeakPolarHBondContact O-CA 3.45Å; Q261-R265 WeakPolarHBondContact O-CB 3.46Å; Q261-R265 PolarHBondContact O-N 2.94Å; Y263-R265 VanDerWaalsContact C-N 3.3Å; Y263-R265 PolarHBondContact O-N 3.13Å
266	F	53.4	Low	59.9	Low	93 Å²	93	90.9 Å²	90.9	41%	0.408	44%	0.443	S	S	.	.	S	Bend	trans	-111.3	123.8	176.7	-59	-76.8	0	0	0	108.8	N264 E270 R306	N264-F266 PolarHBondContact O-N 2.94Å; F266-E270 VanDerWaalsContact CA-OE2 3.28Å; F266-E270 WeakPolarHBondContact CA-OE2 3.42Å; F266-R306 VanDerWaalsContact CD2-NH1 3.29Å; F266-R306 VanDerWaalsContact CE2-NH1 3.27Å
267	T	62.7	Low	62.9	Low	67 Å²	67	92.5 Å²	92.5	41%	0.411	44%	0.444	S	S	.	.			trans	-71.3	153.9	169.7	66	0	0	0	0	109.3	E269 E270 D271	T267-E269 PolarHBondContact O-N 3.35Å; T267-E270 PolarHBondContact N-OE2 3.16Å; T267-E270 PolarHBondContact O-N 3.38Å; T267-E270 VanDerWaalsContact O-N 3.1Å; T267-E270 VanDerWaalsContact OG1-CG 3.25Å; T267-E270 WeakPolarHBondContact OG1-CG 3.41Å; T267-E270 PolarHBondContact OG1-N 2.88Å; T267-E270 VanDerWaalsContact OG1-N 3.13Å; T267-D271 PolarHBondContact O-N 3.32Å; T267-D271 VanDerWaalsContact O-N 3.12Å
268	H	78.5	Confident	65.4	Low	86 Å²	86	89.7 Å²	89.7	40%	0.398	42%	0.424	S	S	.	.	H	α-helix	trans	-54.6	-35.5	174.4	-177.3	50	0	0	0	111.6	D271 L272 L303 T304	H268-D271 PolarHBondContact O-N 3.03Å; H268-L272 VanDerWaalsContact O-CG 3.28Å; H268-L272 WeakPolarHBondContact O-CG 3.22Å; H268-L272 PolarHBondContact O-N 3.45Å; H268-L303 PolarHBondContact CE1-O 3.42Å; H268-T304 PolarHBondContact CE1-O 2.81Å; H268-T304 PolarHBondContact ND1-O 2.85Å
269	E	82	Confident	68.4	Low	79 Å²	79	85.3 Å²	85.3	37%	0.369	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-42.9	176.5	-68.7	171.3	-159.7	0	0	112.8	T216 S217 T267 L272 Q273	T216-E269 VanDerWaalsContact CA-OE1 3.29Å; T216-E269 WeakPolarHBondContact CA-OE1 3.44Å; T216-E269 WeakPolarHBondContact CA-OE2 3.46Å; T216-E269 PolarHBondContact N-OE2 3.28Å; S217-E269 PolarHBondContact N-OE1 3.37Å; S217-E269 VanDerWaalsContact N-OE1 3.07Å; T267-E269 PolarHBondContact O-N 3.35Å; E269-L272 PolarHBondContact O-N 2.91Å; E269-Q273 PolarHBondContact O-N 3.09Å
270	E	85	Confident	71.1	Confident	100 Å²	100	88.7 Å²	88.7	47%	0.467	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-42.9	175.9	-77	167.3	178.5	0	0	111.8	F266 T267 Q273 R274	F266-E270 VanDerWaalsContact CA-OE2 3.28Å; F266-E270 WeakPolarHBondContact CA-OE2 3.42Å; T267-E270 PolarHBondContact N-OE2 3.16Å; T267-E270 PolarHBondContact O-N 3.38Å; T267-E270 VanDerWaalsContact O-N 3.1Å; T267-E270 VanDerWaalsContact OG1-CG 3.25Å; T267-E270 WeakPolarHBondContact OG1-CG 3.41Å; T267-E270 PolarHBondContact OG1-N 2.88Å; T267-E270 VanDerWaalsContact OG1-N 3.13Å; E270-Q273 PolarHBondContact O-N 3.11Å; E270-R274 WeakPolarHBondContact O-CB 3.33Å; E270-R274 PolarHBondContact O-N 3.47Å
271	D	88.2	Confident	73.8	Confident	7 Å²	7	86 Å²	86	4%	0.037	40%	0.399	C	S	.	.	H	α-helix	trans	-67.3	-37.7	176.7	-84.4	-29.6	0	0	0	111.6	T267 H268 R274 L275 R306 Y316	T267-D271 PolarHBondContact O-N 3.32Å; T267-D271 VanDerWaalsContact O-N 3.12Å; H268-D271 PolarHBondContact O-N 3.03Å; D271-R274 WeakPolarHBondContact O-CB 3.38Å; D271-R274 PolarHBondContact O-N 3.09Å; D271-L275 VanDerWaalsContact O-CG 3.25Å; D271-L275 WeakPolarHBondContact O-CG 3.49Å; D271-L275 PolarHBondContact O-N 3Å; D271-R306 IonicContact OD1-NH1 2.73Å; D271-R306 WeakPolarHBondContact OD2-CB 3.11Å; D271-Y316 HydrophobicContact CB-CE1 3.9Å
272	L	87.6	Confident	76.5	Confident	69 Å²	69	80.8 Å²	80.8	36%	0.361	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-41.4	173.4	-73.8	176.7	0	0	0	112	H268 E269 L275 K276	H268-L272 VanDerWaalsContact O-CG 3.28Å; H268-L272 WeakPolarHBondContact O-CG 3.22Å; H268-L272 PolarHBondContact O-N 3.45Å; E269-L272 PolarHBondContact O-N 2.91Å; L272-L275 PolarHBondContact O-N 2.89Å; L272-K276 WeakPolarHBondContact O-CG 3.39Å; L272-K276 PolarHBondContact O-N 3.15Å; L272-K276 VanDerWaalsContact O-N 3.14Å
273	Q	91	Very high	78.9	Confident	92 Å²	92	79.2 Å²	79.2	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-43.6	175.8	-173.7	59	29.6	0	0	111.1	E269 E270 L275 K276 E277	E269-Q273 PolarHBondContact O-N 3.09Å; E270-Q273 PolarHBondContact O-N 3.11Å; Q273-L275 VanDerWaalsContact C-N 3.29Å; Q273-L275 PolarHBondContact O-N 2.81Å; Q273-K276 WeakPolarHBondContact O-CB 3.5Å; Q273-K276 PolarHBondContact O-N 3.29Å; Q273-K276 VanDerWaalsContact O-N 3.15Å; Q273-E277 PolarHBondContact NE2-OE1 3.49Å; Q273-E277 PolarHBondContact O-N 2.97Å
274	R	92.2	Very high	81.1	Confident	32 Å²	32	76.3 Å²	76.3	12%	0.121	37%	0.367	C	S	.	.	H	α-helix	trans	-54.3	-46.3	173.8	179.4	-165.1	166.6	-77.6	-15.6	111.3	E270 D271 K276 E277 L278 I314 Y316 L340 D342	E270-R274 WeakPolarHBondContact O-CB 3.33Å; E270-R274 PolarHBondContact O-N 3.47Å; D271-R274 WeakPolarHBondContact O-CB 3.38Å; D271-R274 PolarHBondContact O-N 3.09Å; R274-K276 VanDerWaalsContact C-N 3.34Å; R274-K276 PolarHBondContact O-N 3.41Å; R274-E277 PolarHBondContact O-N 3.24Å; R274-L278 VanDerWaalsContact O-CB 3.29Å; R274-L278 WeakPolarHBondContact O-CB 3.49Å; R274-L278 PolarHBondContact O-N 2.86Å; R274-I314 VanDerWaalsContact NH2-CD1 3.31Å; R274-Y316 PolarHBondContact NH1-OH 3.47Å; R274-L340 PolarHBondContact NH2-O 2.65Å; R274-D342 WeakPolarHBondContact CG-OD1 3.38Å; R274-D342 IonicContact CZ-OD1 3.57Å; R274-D342 IonicContact CZ-OD2 3.83Å; R274-D342 IonicContact NE-OD1 3.71Å; R274-D342 PolarHBondContact NE-OD1 3.24Å; R274-D342 IonicContact NE-OD2 3.28Å; R274-D342 PolarHBondContact NE-OD2 3.42Å; R274-D342 IonicContact NH1-OD1 3.94Å; R274-D342 IonicContact NH2-OD1 3.27Å; R274-D342 PolarHBondContact NH2-OD1 2.98Å; R274-D342 IonicContact NH2-OD2 2.83Å
275	L	92	Very high	83.4	Confident	14 Å²	14	75.5 Å²	75.5	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-37.7	179.3	-73.3	165.9	0	0	0	112.5	D271 L272 Q273 L278 D279 L303 Y316 T339	D271-L275 VanDerWaalsContact O-CG 3.25Å; D271-L275 WeakPolarHBondContact O-CG 3.49Å; D271-L275 PolarHBondContact O-N 3Å; L272-L275 PolarHBondContact O-N 2.89Å; Q273-L275 VanDerWaalsContact C-N 3.29Å; Q273-L275 PolarHBondContact O-N 2.81Å; L275-L278 HydrophobicContact CD2-CD2 4.49Å; L275-L278 PolarHBondContact O-N 2.77Å; L275-D279 WeakPolarHBondContact O-CB 3.41Å; L275-D279 VanDerWaalsContact O-CG 3.26Å; L275-D279 PolarHBondContact O-N 3.22Å; L275-L303 HydrophobicContact CD1-CD1 3.38Å; L275-Y316 HydrophobicContact CD1-CE2 4.45Å; L275-Y316 HydrophobicContact CD2-CE2 4.08Å; L275-T339 HydrophobicContact CD2-CG2 4.04Å
276	K	92.7	Very high	85.1	Confident	135 Å²	135	69.7 Å²	69.7	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-63.6	-44.9	173.7	-70.2	174.4	-177	174.1	0	112.2	L272 Q273 R274 D279 K280	L272-K276 WeakPolarHBondContact O-CG 3.39Å; L272-K276 PolarHBondContact O-N 3.15Å; L272-K276 VanDerWaalsContact O-N 3.14Å; Q273-K276 WeakPolarHBondContact O-CB 3.5Å; Q273-K276 PolarHBondContact O-N 3.29Å; Q273-K276 VanDerWaalsContact O-N 3.15Å; R274-K276 VanDerWaalsContact C-N 3.34Å; R274-K276 PolarHBondContact O-N 3.41Å; K276-D279 PolarHBondContact O-N 3.06Å; K276-K280 PolarHBondContact O-N 3.3Å
277	E	94.1	Very high	86.5	Confident	95 Å²	95	74.2 Å²	74.2	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-39.2	176.6	-65	-53.5	144.8	0	0	111.6	Q273 R274 K280 L281	Q273-E277 PolarHBondContact NE2-OE1 3.49Å; Q273-E277 PolarHBondContact O-N 2.97Å; R274-E277 PolarHBondContact O-N 3.24Å; E277-K280 PolarHBondContact O-N 3.16Å; E277-L281 VanDerWaalsContact O-CB 3.29Å; E277-L281 WeakPolarHBondContact O-CB 3.37Å; E277-L281 PolarHBondContact O-N 3.42Å
278	L	92.7	Very high	87.4	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-44.3	174.6	-177.5	68.6	0	0	0	111.5	R274 L275 K280 L281 F282 T339 K341 F344	R274-L278 VanDerWaalsContact O-CB 3.29Å; R274-L278 WeakPolarHBondContact O-CB 3.49Å; R274-L278 PolarHBondContact O-N 2.86Å; L275-L278 HydrophobicContact CD2-CD2 4.49Å; L275-L278 PolarHBondContact O-N 2.77Å; L278-K280 VanDerWaalsContact C-N 3.33Å; L278-K280 PolarHBondContact O-N 3.11Å; L278-L281 PolarHBondContact O-N 3.28Å; L278-F282 VanDerWaalsContact O-CB 3.24Å; L278-F282 WeakPolarHBondContact O-CB 3.3Å; L278-F282 PolarHBondContact O-N 3.47Å; L278-T339 HydrophobicContact CD2-CG2 4.47Å; L278-K341 WeakPolarHBondContact CD1-O 3.46Å; L278-F344 HydrophobicContact CD1-CD1 3.77Å; L278-F344 HydrophobicContact CD1-CE1 3.69Å
279	D	92.5	Very high	87.7	Confident	26 Å²	26	76.2 Å²	76.2	14%	0.139	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-43.1	176.7	-77.1	-14.5	0	0	0	110.6	L275 K276 F282 L283 R298 G378 S379	L275-D279 WeakPolarHBondContact O-CB 3.41Å; L275-D279 VanDerWaalsContact O-CG 3.26Å; L275-D279 PolarHBondContact O-N 3.22Å; K276-D279 PolarHBondContact O-N 3.06Å; D279-F282 PolarHBondContact O-N 2.97Å; D279-L283 WeakPolarHBondContact O-CB 3.41Å; D279-L283 VanDerWaalsContact O-CG 3.23Å; D279-L283 WeakPolarHBondContact O-CG 2.94Å; D279-L283 PolarHBondContact O-N 2.72Å; D279-R298 IonicContact OD1-CZ 4Å; D279-R298 IonicContact OD1-NH1 3.97Å; D279-R298 PolarHBondContact OD1-NH1 2.88Å; D279-R298 IonicContact OD2-CZ 3.52Å; D279-R298 IonicContact OD2-NH1 2.66Å; D279-R298 PolarHBondContact OD2-NH1 3.02Å; D279-G378 WeakPolarHBondContact OD1-CA 3.47Å; D279-S379 WeakPolarHBondContact OD1-CB 3.46Å; D279-S379 PolarHBondContact OD1-N 2.68Å
280	K	91	Very high	87.9	Confident	146 Å²	146	77.7 Å²	77.7	64%	0.635	37%	0.372	S	S	*	.	H	α-helix	trans	-63.6	-47	175.6	-174.9	-178.1	177.5	-174.2	0	112.4	K276 E277 L278 F282 L283 S284	K276-K280 PolarHBondContact O-N 3.3Å; E277-K280 PolarHBondContact O-N 3.16Å; L278-K280 VanDerWaalsContact C-N 3.33Å; L278-K280 PolarHBondContact O-N 3.11Å; K280-F282 VanDerWaalsContact C-N 3.33Å; K280-L283 PolarHBondContact O-N 3.14Å; K280-S284 PolarHBondContact O-N 3.15Å; K280-S284 PolarHBondContact O-OG 3.41Å
281	L	88.2	Confident	88	Confident	76 Å²	76	74.1 Å²	74.1	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-38.3	178.4	178.2	63.6	0	0	0	111.9	E277 L278 S284 N285 F344	E277-L281 VanDerWaalsContact O-CB 3.29Å; E277-L281 WeakPolarHBondContact O-CB 3.37Å; E277-L281 PolarHBondContact O-N 3.42Å; L278-L281 PolarHBondContact O-N 3.28Å; L281-S284 PolarHBondContact O-OG 3.49Å; L281-N285 PolarHBondContact O-ND2 3.12Å; L281-F344 HydrophobicContact CD2-CE1 3.78Å; L281-F344 HydrophobicContact CD2-CZ 4.48Å; L281-F344 HydrophobicContact CG-CE1 4.01Å; L281-F344 HydrophobicContact CG-CZ 4.27Å
282	F	86.9	Confident	88	Confident	1 Å²	1	81 Å²	81	0%	0.004	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-50.8	176.7	-171.9	-91.9	0	0	0	110.6	L278 D279 K280 S284 N285 Y286 L288 L340 F344 V349 G378 P380	L278-F282 VanDerWaalsContact O-CB 3.24Å; L278-F282 WeakPolarHBondContact O-CB 3.3Å; L278-F282 PolarHBondContact O-N 3.47Å; D279-F282 PolarHBondContact O-N 2.97Å; K280-F282 VanDerWaalsContact C-N 3.33Å; F282-S284 VanDerWaalsContact C-N 3.26Å; F282-S284 PolarHBondContact O-N 2.96Å; F282-N285 PolarHBondContact O-N 2.73Å; F282-Y286 HydrophobicContact CD2-CD2 4.05Å; F282-Y286 HydrophobicContact CD2-CG 4.48Å; F282-Y286 HydrophobicContact CE2-CD2 4.04Å; F282-Y286 HydrophobicContact CE2-CG 4.08Å; F282-Y286 HydrophobicContact CZ-CG 4.17Å; F282-Y286 PolarHBondContact O-N 2.71Å; F282-L288 HydrophobicContact CE1-CD1 4Å; F282-L288 HydrophobicContact CE1-CG 3.91Å; F282-L288 HydrophobicContact CZ-CD1 3.7Å; F282-L288 HydrophobicContact CZ-CD2 4.22Å; F282-L288 HydrophobicContact CZ-CG 3.76Å; F282-L340 HydrophobicContact CD2-CD1 3.97Å; F282-L340 HydrophobicContact CE2-CD1 3.86Å; F282-F344 HydrophobicContact CB-CZ 4.23Å; F282-F344 AromaticContact CD2-CE2 3.79Å; F282-F344 HydrophobicContact CD2-CE2 3.79Å; F282-F344 AromaticContact CD2-CZ 3.84Å; F282-F344 HydrophobicContact CD2-CZ 3.84Å; F282-F344 HydrophobicContact CE2-CE2 4.34Å; F282-V349 HydrophobicContact CE2-CG1 4.12Å; F282-V349 HydrophobicContact CE2-CG2 3.99Å; F282-V349 HydrophobicContact CZ-CG1 4.35Å; F282-G378 WeakPolarHBondContact CD1-O 3.24Å; F282-P380 HydrophobicContact CE2-CG 4.29Å; F282-P380 VanDerWaalsContact CZ-CD 3.47Å; F282-P380 HydrophobicContact CZ-CG 4.23Å
283	L	88.1	Confident	88	Confident	91 Å²	91	83.9 Å²	83.9	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-23.8	-178.7	-69.8	173	0	0	0	113.9	D279 K280 N285	D279-L283 WeakPolarHBondContact O-CB 3.41Å; D279-L283 VanDerWaalsContact O-CG 3.23Å; D279-L283 WeakPolarHBondContact O-CG 2.94Å; D279-L283 PolarHBondContact O-N 2.72Å; K280-L283 PolarHBondContact O-N 3.14Å; L283-N285 VanDerWaalsContact C-N 3.27Å; L283-N285 PolarHBondContact O-N 2.86Å
284	S	83.2	Confident	88.1	Confident	83 Å²	83	82 Å²	82	58%	0.58	39%	0.394	S	S	*	.	H	α-helix	trans	-72.2	-20.9	173.8	64.4	0	0	0	0	113.6	K280 L281 F282	K280-S284 PolarHBondContact O-N 3.15Å; K280-S284 PolarHBondContact O-OG 3.41Å; L281-S284 PolarHBondContact O-OG 3.49Å; F282-S284 VanDerWaalsContact C-N 3.26Å; F282-S284 PolarHBondContact O-N 2.96Å
285	N	83.3	Confident	88.2	Confident	104 Å²	104	82.2 Å²	82.2	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-118.1	-24	-173.6	-66.2	-71.3	0	0	0	113.5	L281 F282 L283	L281-N285 PolarHBondContact O-ND2 3.12Å; F282-N285 PolarHBondContact O-N 2.73Å; L283-N285 VanDerWaalsContact C-N 3.27Å; L283-N285 PolarHBondContact O-N 2.86Å
286	Y	82.2	Confident	88.2	Confident	65 Å²	65	81.7 Å²	81.7	26%	0.255	39%	0.393	S	S	.	.			trans	-138.5	143.4	-170.2	-59.1	-83	0	0	0	111.4	F282 F344 E346	F282-Y286 HydrophobicContact CD2-CD2 4.05Å; F282-Y286 HydrophobicContact CD2-CG 4.48Å; F282-Y286 HydrophobicContact CE2-CD2 4.04Å; F282-Y286 HydrophobicContact CE2-CG 4.08Å; F282-Y286 HydrophobicContact CZ-CG 4.17Å; F282-Y286 PolarHBondContact O-N 2.71Å; Y286-F344 AromaticContact CD2-CE2 3.94Å; Y286-F344 HydrophobicContact CD2-CE2 3.94Å; Y286-F344 HydrophobicContact CD2-CZ 4.44Å; Y286-F344 HydrophobicContact CE2-CD2 4.49Å; Y286-F344 AromaticContact CE2-CE2 3.53Å; Y286-F344 HydrophobicContact CE2-CE2 3.53Å; Y286-F344 HydrophobicContact CE2-CZ 4.26Å; Y286-E346 HydrophobicContact CE1-CG 4.32Å
287	Q	81.7	Confident	88.2	Confident	188 Å²	188	77.8 Å²	77.8	88%	0.879	38%	0.383	S	S	*	.			trans	-130.3	113.7	166.9	-173	174.7	17.8	0	0	107.9
288	L	82.2	Confident	88.2	Confident	38 Å²	38	75.8 Å²	75.8	20%	0.199	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-87.9	146.6	175.9	-60.9	-179.2	0	0	0	110	F282 L353 P380	F282-L288 HydrophobicContact CE1-CD1 4Å; F282-L288 HydrophobicContact CE1-CG 3.91Å; F282-L288 HydrophobicContact CZ-CD1 3.7Å; F282-L288 HydrophobicContact CZ-CD2 4.22Å; F282-L288 HydrophobicContact CZ-CG 3.76Å; L288-L353 HydrophobicContact CD1-CD2 4.11Å; L288-L353 HydrophobicContact CD2-CD1 3.87Å; L288-P380 HydrophobicContact CD1-CB 3.86Å; L288-P380 HydrophobicContact CD1-CG 4.01Å
289	K	84.4	Confident	88.2	Confident	156 Å²	156	84 Å²	84	68%	0.678	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-69.3	136.6	167.8	-170.1	-177.1	169.7	-167.8	0	108.3	D291 E292 T375	K289-D291 PolarHBondContact O-N 3.49Å; K289-E292 WeakPolarHBondContact CE-OE1 3.47Å; K289-E292 IonicContact NZ-OE1 3.3Å; K289-E292 PolarHBondContact NZ-OE1 2.96Å; K289-T375 PolarHBondContact O-OG1 3.27Å
290	K	86.5	Confident	88.2	Confident	110 Å²	110	84.4 Å²	84.4	48%	0.478	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-49.7	135.6	168.6	-172.6	-178.3	169.3	175.7	0	110.5	E295 T375 E376	K290-E295 HydrophobicContact CD-CB 4.49Å; K290-E295 HydrophobicContact CD-CG 4.29Å; K290-E295 HydrophobicContact CG-CB 3.9Å; K290-E295 HydrophobicContact CG-CG 3.7Å; K290-T375 VanDerWaalsContact CA-OG1 3.3Å; K290-T375 WeakPolarHBondContact CA-OG1 3.5Å; K290-E376 HydrophobicContact CB-CG 3.99Å; K290-E376 WeakPolarHBondContact CB-OE1 3.41Å; K290-E376 WeakPolarHBondContact CD-OE1 3.28Å; K290-E376 HydrophobicContact CG-CG 4.06Å
291	D	87.3	Confident	88.4	Confident	26 Å²	26	78.5 Å²	78.5	14%	0.139	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-69.7	131.8	172.2	-154.8	-99.9	0	0	0	111.3	K289 Y294 E295 K360 V373 T375	K289-D291 PolarHBondContact O-N 3.49Å; D291-Y294 WeakPolarHBondContact OD1-CB 3.29Å; D291-Y294 PolarHBondContact OD1-N 3.24Å; D291-E295 HydrophobicContact CB-CB 4.1Å; D291-E295 PolarHBondContact N-OE2 2.69Å; D291-E295 VanDerWaalsContact N-OE2 3.08Å; D291-E295 VanDerWaalsContact O-CB 3.23Å; D291-E295 WeakPolarHBondContact O-CB 3.16Å; D291-K360 VanDerWaalsContact CG-NZ 3.34Å; D291-K360 IonicContact OD1-NZ 2.66Å; D291-K360 WeakPolarHBondContact OD2-CE 3.25Å; D291-K360 IonicContact OD2-NZ 2.79Å; D291-K360 PolarHBondContact OD2-NZ 3.11Å; D291-V373 HydrophobicContact CB-CG1 3.59Å; D291-T375 PolarHBondContact N-OG1 3.2Å
292	E	87.4	Confident	88.7	Confident	150 Å²	150	80.7 Å²	80.7	70%	0.701	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-38	-173.6	-67.6	-178.7	-175.6	0	0	112	K289	K289-E292 WeakPolarHBondContact CE-OE1 3.47Å; K289-E292 IonicContact NZ-OE1 3.3Å; K289-E292 PolarHBondContact NZ-OE1 2.96Å
293	D	89.1	Confident	89	Confident	130 Å²	130	81.6 Å²	81.6	70%	0.695	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-30.3	-171.2	-60.9	-44.8	0	0	0	113
294	Y	92.2	Very high	89.1	Confident	54 Å²	54	79.6 Å²	79.6	21%	0.212	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	15.8	-168	-61.5	-79.4	0	0	0	114.6	D291 F296 K360 F370 G372 V373	D291-Y294 WeakPolarHBondContact OD1-CB 3.29Å; D291-Y294 PolarHBondContact OD1-N 3.24Å; Y294-F296 PolarHBondContact O-N 3.17Å; Y294-K360 HydrophobicContact CD2-CD 3.92Å; Y294-K360 HydrophobicContact CD2-CG 3.91Å; Y294-K360 HydrophobicContact CE2-CB 4.33Å; Y294-K360 HydrophobicContact CE2-CD 4.31Å; Y294-K360 HydrophobicContact CE2-CG 4.11Å; Y294-F370 HydrophobicContact CD1-CD1 4.24Å; Y294-F370 AromaticContact CD1-CE1 3.55Å; Y294-F370 HydrophobicContact CD1-CE1 3.55Å; Y294-F370 HydrophobicContact CD2-CE1 4.16Å; Y294-F370 HydrophobicContact CE1-CD1 4.42Å; Y294-F370 HydrophobicContact CE1-CE1 4.11Å; Y294-F370 AromaticContact CG-CE1 3.56Å; Y294-F370 HydrophobicContact CG-CE1 3.56Å; Y294-F370 HydrophobicContact CG-CZ 4.23Å; Y294-G372 WeakPolarHBondContact O-CA 3.38Å; Y294-V373 PolarHBondContact O-N 3.36Å
295	E	93.5	Very high	89.4	Confident	35 Å²	35	78 Å²	78	16%	0.164	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-64.1	124.4	176.3	-172.7	71.7	-161.8	0	0	110.4	K290 D291 V373 C374 T375 E376	K290-E295 HydrophobicContact CD-CB 4.49Å; K290-E295 HydrophobicContact CD-CG 4.29Å; K290-E295 HydrophobicContact CG-CB 3.9Å; K290-E295 HydrophobicContact CG-CG 3.7Å; D291-E295 HydrophobicContact CB-CB 4.1Å; D291-E295 PolarHBondContact N-OE2 2.69Å; D291-E295 VanDerWaalsContact N-OE2 3.08Å; D291-E295 VanDerWaalsContact O-CB 3.23Å; D291-E295 WeakPolarHBondContact O-CB 3.16Å; E295-V373 CarbonylContact C-O 3.57Å; E295-V373 WeakPolarHBondContact CA-O 3.4Å; E295-C374 WeakPolarHBondContact OE1-CA 3.09Å; E295-T375 PolarHBondContact OE1-N 2.99Å; E295-T375 PolarHBondContact OE2-N 2.51Å; E295-T375 PolarHBondContact OE2-OG1 3.26Å; E295-E376 PolarHBondContact OE1-N 2.72Å; E295-E376 VanDerWaalsContact OE1-N 3.12Å
296	F	93.5	Very high	89.8	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.018	36%	0.359	C	S	.	.			trans	-107.5	133	175.4	-171.8	-99	0	0	0	110.8	Y294 R298 N300 L301 A320 E321 L323 V373 C374 I383	Y294-F296 PolarHBondContact O-N 3.17Å; F296-R298 PolarHBondContact O-N 2.54Å; F296-N300 HydrophobicContact CE1-CB 3.87Å; F296-N300 HydrophobicContact CE2-CB 4.42Å; F296-N300 HydrophobicContact CZ-CB 3.59Å; F296-L301 HydrophobicContact CD1-CB 4.4Å; F296-L301 HydrophobicContact CE1-CB 3.87Å; F296-L301 HydrophobicContact CE1-CD1 4.42Å; F296-A320 HydrophobicContact CE1-CB 4.29Å; F296-A320 HydrophobicContact CZ-CB 3.84Å; F296-E321 VanDerWaalsContact CE2-O 3.23Å; F296-E321 WeakPolarHBondContact CE2-O 3.45Å; F296-E321 WeakPolarHBondContact CZ-O 3.23Å; F296-L323 HydrophobicContact CD2-CD2 3.81Å; F296-L323 HydrophobicContact CE2-CD2 3.69Å; F296-L323 HydrophobicContact CE2-CG 4.18Å; F296-L323 HydrophobicContact CZ-CD2 4.37Å; F296-V373 PolarHBondContact N-O 3.45Å; F296-C374 PolarHBondContact O-SG 3.32Å; F296-I383 HydrophobicContact CB-CD1 3.65Å; F296-I383 HydrophobicContact CD1-CD1 3.27Å; F296-I383 HydrophobicContact CD2-CD1 4.46Å; F296-I383 HydrophobicContact CE1-CD1 4Å; F296-I383 HydrophobicContact CG-CD1 3.52Å
297	S	93	Very high	90.1	Very high	53 Å²	53	74.4 Å²	74.4	37%	0.371	36%	0.358	S	S	.	.			trans	-71.1	115.2	179.3	-163.8	0	0	0	0	110.9	K299 N300	S297-K299 PolarHBondContact O-N 2.69Å; S297-K299 WeakPolarHBondContact OG-CE 3.46Å; S297-K299 WeakPolarHBondContact OG-CG 3.2Å; S297-N300 WeakPolarHBondContact O-CB 3.49Å; S297-N300 PolarHBondContact O-N 2.72Å
298	R	93.5	Very high	90.3	Very high	52 Å²	52	66.6 Å²	66.6	20%	0.196	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-50.8	-31.1	178.7	-171.3	-179.9	-61.5	-105.9	-12.4	113.9	D279 F296 N300 L301 S379 L381	D279-R298 IonicContact OD1-CZ 4Å; D279-R298 IonicContact OD1-NH1 3.97Å; D279-R298 PolarHBondContact OD1-NH1 2.88Å; D279-R298 IonicContact OD2-CZ 3.52Å; D279-R298 IonicContact OD2-NH1 2.66Å; D279-R298 PolarHBondContact OD2-NH1 3.02Å; F296-R298 PolarHBondContact O-N 2.54Å; R298-N300 PolarHBondContact O-N 3.13Å; R298-L301 WeakPolarHBondContact O-CB 3.31Å; R298-L301 PolarHBondContact O-N 2.95Å; R298-S379 PolarHBondContact NH2-O 2.98Å; R298-L381 HydrophobicContact CG-CD1 4.43Å
299	K	92.6	Very high	90.1	Very high	176 Å²	176	67.9 Å²	67.9	77%	0.765	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.6	-24.1	177.6	77.8	-168.9	177.5	171.9	0	113.7	S297 L301	S297-K299 PolarHBondContact O-N 2.69Å; S297-K299 WeakPolarHBondContact OG-CE 3.46Å; S297-K299 WeakPolarHBondContact OG-CG 3.2Å; K299-L301 VanDerWaalsContact C-N 3.29Å
300	N	93.4	Very high	89.4	Confident	35 Å²	35	62.3 Å²	62.3	19%	0.187	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-91.3	6.6	177.2	-62.2	-5.7	0	0	0	111.6	F296 S297 R298 A320 E321 N322	F296-N300 HydrophobicContact CE1-CB 3.87Å; F296-N300 HydrophobicContact CE2-CB 4.42Å; F296-N300 HydrophobicContact CZ-CB 3.59Å; S297-N300 WeakPolarHBondContact O-CB 3.49Å; S297-N300 PolarHBondContact O-N 2.72Å; R298-N300 PolarHBondContact O-N 3.13Å; N300-A320 WeakPolarHBondContact O-CA 3.25Å; N300-E321 HydrophobicContact CB-CB 4.37Å; N300-E321 WeakPolarHBondContact CB-O 3.35Å; N300-E321 PolarHBondContact O-N 3.48Å; N300-N322 PolarHBondContact ND2-ND2 2.98Å
301	L	94.8	Very high	88.5	Confident	22 Å²	22	59.2 Å²	59.2	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.4	178.4	-169.3	60.9	0	0	0	110	F296 R298 K299 L303 A320 V335 V337 L381 I383	F296-L301 HydrophobicContact CD1-CB 4.4Å; F296-L301 HydrophobicContact CE1-CB 3.87Å; F296-L301 HydrophobicContact CE1-CD1 4.42Å; R298-L301 WeakPolarHBondContact O-CB 3.31Å; R298-L301 PolarHBondContact O-N 2.95Å; K299-L301 VanDerWaalsContact C-N 3.29Å; L301-L303 HydrophobicContact CD2-CD2 4.14Å; L301-L303 HydrophobicContact CG-CD2 4.13Å; L301-A320 HydrophobicContact CD1-CB 4.04Å; L301-V335 HydrophobicContact CD1-CG2 3.84Å; L301-V337 HydrophobicContact CD1-CG2 3.94Å; L301-V337 HydrophobicContact CD2-CG1 4.07Å; L301-V337 HydrophobicContact CD2-CG2 4.03Å; L301-V337 HydrophobicContact CG-CG2 4.41Å; L301-L381 HydrophobicContact CD2-CD1 3.66Å; L301-I383 HydrophobicContact CD1-CD1 4.36Å; L301-I383 HydrophobicContact CD2-CD1 4.16Å; L301-I383 HydrophobicContact CD2-CG1 4.37Å
302	Q	94.3	Very high	87.5	Confident	122 Å²	122	59.8 Å²	59.8	57%	0.57	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	108.9	172.1	-173.5	177.8	23.6	0	0	109.8	G318 V319	Q302-G318 CarbonylContact O-C 3.53Å; Q302-G318 WeakPolarHBondContact O-CA 3.12Å; Q302-V319 PolarHBondContact N-O 3.35Å; Q302-V319 PolarHBondContact O-N 3.08Å
303	L	93.5	Very high	87.4	Confident	20 Å²	20	52.9 Å²	52.9	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	144.4	173.1	-57.6	179.4	0	0	0	109.9	H268 L275 L301 Y316 V337	H268-L303 PolarHBondContact CE1-O 3.42Å; L275-L303 HydrophobicContact CD1-CD1 3.38Å; L301-L303 HydrophobicContact CD2-CD2 4.14Å; L301-L303 HydrophobicContact CG-CD2 4.13Å; L303-Y316 HydrophobicContact CD1-CD2 4.48Å; L303-Y316 HydrophobicContact CD1-CG 4.45Å; L303-V337 HydrophobicContact CD2-CB 3.65Å; L303-V337 HydrophobicContact CD2-CG1 3.97Å; L303-V337 HydrophobicContact CD2-CG2 3.53Å
304	T	89.5	Confident	87.5	Confident	49 Å²	49	46.9 Å²	46.9	30%	0.301	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-54.5	-173.2	53.3	0	0	0	0	112.9	H268 R317	H268-T304 PolarHBondContact CE1-O 2.81Å; H268-T304 PolarHBondContact ND1-O 2.85Å; T304-R317 PolarHBondContact N-O 3.25Å; T304-R317 WeakPolarHBondContact OG1-CB 3.4Å; T304-R317 PolarHBondContact OG1-O 2.76Å; T304-R317 VanDerWaalsContact OG1-O 3.04Å
305	C	90.1	Very high	87.6	Confident	50 Å²	50	46.1 Å²	46.1	34%	0.338	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.1	178.4	67.5	0	0	0	0	112.1	L307 Y316 R317	C305-L307 PolarHBondContact O-N 3.5Å; C305-Y316 CarbonylContact O-C 3.46Å; C305-Y316 VanDerWaalsContact O-CA 3.26Å; C305-Y316 WeakPolarHBondContact O-CA 3.15Å; C305-R317 PolarHBondContact O-N 3.03Å
306	R	91.5	Very high	87.6	Confident	48 Å²	48	44.6 Å²	44.6	18%	0.181	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.6	173.8	-172.9	171.7	178.3	177.1	-0.7	109.9	Y263 F266 D271 S309 I314 Y316	Y263-R306 VanDerWaalsContact CE1-O 3.24Å; Y263-R306 WeakPolarHBondContact CE1-O 2.97Å; F266-R306 VanDerWaalsContact CD2-NH1 3.29Å; F266-R306 VanDerWaalsContact CE2-NH1 3.27Å; D271-R306 IonicContact OD1-NH1 2.73Å; D271-R306 WeakPolarHBondContact OD2-CB 3.11Å; R306-S309 PolarHBondContact NH2-OG 2.95Å; R306-I314 HydrophobicContact CG-CG2 3.82Å; R306-Y316 HydrophobicContact CB-CD1 3.95Å; R306-Y316 HydrophobicContact CB-CE1 3.83Å; R306-Y316 HydrophobicContact CG-CD1 4.42Å; R306-Y316 HydrophobicContact CG-CE1 4.12Å
307	L	88	Confident	87.7	Confident	45 Å²	45	47.9 Å²	47.9	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-21.9	176	-69.9	176.6	0	0	0	112.9	Y263 C305 V315 R317 A336 Y386	Y263-L307 PolarHBondContact OH-O 3.24Å; C305-L307 PolarHBondContact O-N 3.5Å; L307-V315 WeakPolarHBondContact CA-O 3.36Å; L307-V315 HydrophobicContact CB-CB 4.43Å; L307-V315 HydrophobicContact CB-CG1 4.23Å; L307-V315 HydrophobicContact CD1-CG1 4.23Å; L307-V315 PolarHBondContact N-O 3.5Å; L307-R317 HydrophobicContact CD1-CB 3.87Å; L307-R317 HydrophobicContact CD2-CB 3.98Å; L307-R317 HydrophobicContact CG-CB 3.83Å; L307-A336 HydrophobicContact CD1-CB 4.33Å; L307-Y386 HydrophobicContact CD1-CD2 3.8Å; L307-Y386 HydrophobicContact CD1-CE2 3.66Å; L307-Y386 HydrophobicContact CD2-CE2 3.92Å; L307-Y386 HydrophobicContact CG-CE2 4.45Å
308	G	85.1	Confident	87.8	Confident	23 Å²	23	45.3 Å²	45.3	24%	0.237	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	169.2	179	0	0	0	0	0	113.7	I314 V315	G308-I314 WeakPolarHBondContact O-CG2 3.22Å; G308-V315 PolarHBondContact N-O 3.32Å; G308-V315 VanDerWaalsContact N-O 3.15Å; G308-V315 PolarHBondContact O-N 3.33Å
309	S	79.2	Confident	87.8	Confident	66 Å²	66	44.1 Å²	44.1	46%	0.462	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	120.6	176.3	-166.9	0	0	0	0	109.5	R306	R306-S309 PolarHBondContact NH2-OG 2.95Å
310	G	69.5	Low	87.9	Confident	38 Å²	38	35.8 Å²	35.8	39%	0.392	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-170.7	-174.8	0	0	0	0	0	112	F312 G313 K341	G310-F312 PolarHBondContact O-N 3.37Å; G310-G313 PolarHBondContact N-O 3.05Å; G310-K341 WeakPolarHBondContact O-CE 2.92Å; G310-K341 PolarHBondContact O-NZ 2.92Å
311	A	67.3	Low	87.8	Confident	46 Å²	46	37.2 Å²	37.2	38%	0.38	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.6	173.2	0	0	0	0	0	113.2	K469	A311-K469 PolarHBondContact O-NZ 3.43Å
312	F	67.2	Low	87.4	Confident	38 Å²	38	39.3 Å²	39.3	17%	0.167	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.3	-172.1	-49.8	-68.6	0	0	0	114.2	G310 K338 D454 L457	G310-F312 PolarHBondContact O-N 3.37Å; F312-K338 WeakPolarHBondContact O-CE 3.43Å; F312-D454 WeakPolarHBondContact CD2-OD1 3.44Å; F312-D454 VanDerWaalsContact CD2-OD2 3.27Å; F312-D454 WeakPolarHBondContact CD2-OD2 3.46Å; F312-D454 WeakPolarHBondContact CE2-OD2 3.29Å; F312-L457 HydrophobicContact CE1-CD1 4.31Å; F312-L457 HydrophobicContact CE1-CD2 3.75Å; F312-L457 HydrophobicContact CE1-CG 3.62Å; F312-L457 HydrophobicContact CZ-CD1 3.77Å; F312-L457 HydrophobicContact CZ-CD2 4.07Å; F312-L457 HydrophobicContact CZ-CG 3.53Å
313	G	85.3	Confident	86.7	Confident	5 Å²	5	33.9 Å²	33.9	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130	-159.9	-179.4	0	0	0	0	0	113.9	G310 T339	G310-G313 PolarHBondContact N-O 3.05Å; G313-T339 CarbonylContact C-O 3.51Å; G313-T339 VanDerWaalsContact CA-O 3.24Å; G313-T339 WeakPolarHBondContact CA-O 3.19Å
314	I	91.4	Very high	85.5	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.1	175.3	-55	-173.4	0	0	0	108.6	R274 R306 G308 Y316 K338 T339	R274-I314 VanDerWaalsContact NH2-CD1 3.31Å; R306-I314 HydrophobicContact CG-CG2 3.82Å; G308-I314 WeakPolarHBondContact O-CG2 3.22Å; I314-Y316 HydrophobicContact CB-CE2 4.01Å; I314-Y316 HydrophobicContact CG2-CD2 4.1Å; I314-Y316 HydrophobicContact CG2-CE1 4.24Å; I314-Y316 HydrophobicContact CG2-CE2 3.42Å; I314-Y316 VanDerWaalsContact CG2-CE2 3.42Å; I314-K338 CarbonylContact O-C 3.54Å; I314-K338 WeakPolarHBondContact O-CA 2.75Å; I314-T339 PolarHBondContact N-O 2.87Å; I314-T339 PolarHBondContact O-N 2.71Å
315	V	93	Very high	84.4	Confident	38 Å²	38	39.5 Å²	39.5	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.3	176.8	-173.4	0	0	0	0	108.8	L307 G308 A336 V337 K338	L307-V315 WeakPolarHBondContact CA-O 3.36Å; L307-V315 HydrophobicContact CB-CB 4.43Å; L307-V315 HydrophobicContact CB-CG1 4.23Å; L307-V315 HydrophobicContact CD1-CG1 4.23Å; L307-V315 PolarHBondContact N-O 3.5Å; G308-V315 PolarHBondContact N-O 3.32Å; G308-V315 VanDerWaalsContact N-O 3.15Å; G308-V315 PolarHBondContact O-N 3.33Å; V315-A336 HydrophobicContact CG1-CB 4.19Å; V315-V337 CarbonylContact C-O 3.57Å; V315-V337 WeakPolarHBondContact CA-O 3.45Å; V315-K338 HydrophobicContact CG2-CB 4.2Å; V315-K338 HydrophobicContact CG2-CG 4.03Å
316	Y	94.8	Very high	83	Confident	4 Å²	4	39 Å²	39	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.8	174.4	-62.5	-87.8	0	0	0	110.1	D271 R274 L275 L303 C305 R306 I314 A336 V337 T339	D271-Y316 HydrophobicContact CB-CE1 3.9Å; R274-Y316 PolarHBondContact NH1-OH 3.47Å; L275-Y316 HydrophobicContact CD1-CE2 4.45Å; L275-Y316 HydrophobicContact CD2-CE2 4.08Å; L303-Y316 HydrophobicContact CD1-CD2 4.48Å; L303-Y316 HydrophobicContact CD1-CG 4.45Å; C305-Y316 CarbonylContact O-C 3.46Å; C305-Y316 VanDerWaalsContact O-CA 3.26Å; C305-Y316 WeakPolarHBondContact O-CA 3.15Å; R306-Y316 HydrophobicContact CB-CD1 3.95Å; R306-Y316 HydrophobicContact CB-CE1 3.83Å; R306-Y316 HydrophobicContact CG-CD1 4.42Å; R306-Y316 HydrophobicContact CG-CE1 4.12Å; I314-Y316 HydrophobicContact CB-CE2 4.01Å; I314-Y316 HydrophobicContact CG2-CD2 4.1Å; I314-Y316 HydrophobicContact CG2-CE1 4.24Å; I314-Y316 HydrophobicContact CG2-CE2 3.42Å; I314-Y316 VanDerWaalsContact CG2-CE2 3.42Å; Y316-A336 CarbonylContact O-C 3.54Å; Y316-A336 WeakPolarHBondContact O-CA 3.38Å; Y316-V337 PolarHBondContact N-O 3.44Å; Y316-V337 PolarHBondContact O-N 3.1Å; Y316-T339 HydrophobicContact CD2-CG2 4.3Å; Y316-T339 HydrophobicContact CE2-CG2 3.84Å
317	R	94.9	Very high	81.3	Confident	72 Å²	72	44.7 Å²	44.7	27%	0.272	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	146.6	158.5	-172.4	179.2	174.5	-164.4	0.2	107.1	T304 C305 L307 D334 V335 Y386	T304-R317 PolarHBondContact N-O 3.25Å; T304-R317 WeakPolarHBondContact OG1-CB 3.4Å; T304-R317 PolarHBondContact OG1-O 2.76Å; T304-R317 VanDerWaalsContact OG1-O 3.04Å; C305-R317 PolarHBondContact O-N 3.03Å; L307-R317 HydrophobicContact CD1-CB 3.87Å; L307-R317 HydrophobicContact CD2-CB 3.98Å; L307-R317 HydrophobicContact CG-CB 3.83Å; R317-D334 IonicContact CZ-OD1 3.61Å; R317-D334 IonicContact CZ-OD2 3.67Å; R317-D334 IonicContact NE-OD1 2.96Å; R317-D334 IonicContact NE-OD2 3.76Å; R317-D334 IonicContact NH2-OD1 3.25Å; R317-D334 PolarHBondContact NH2-OD1 3.08Å; R317-D334 IonicContact NH2-OD2 2.88Å; R317-D334 PolarHBondContact NH2-OD2 3.39Å; R317-V335 CarbonylContact C-O 3.58Å; R317-V335 WeakPolarHBondContact CA-O 3.47Å; R317-Y386 HydrophobicContact CG-CD2 4.33Å; R317-Y386 HydrophobicContact CG-CE2 4.24Å
318	G	94.3	Very high	80.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	176.5	172.1	0	0	0	0	0	111.7	Q302 V335	Q302-G318 CarbonylContact O-C 3.53Å; Q302-G318 WeakPolarHBondContact O-CA 3.12Å; G318-V335 PolarHBondContact N-O 3.36Å; G318-V335 WeakPolarHBondContact O-CG2 3.42Å; G318-V335 PolarHBondContact O-N 3.32Å
319	V	95	Very high	78.8	Confident	27 Å²	27	51.3 Å²	51.3	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.3	169.7	179	0	0	0	0	107.4	Q302 K332 I333	Q302-V319 PolarHBondContact N-O 3.35Å; Q302-V319 PolarHBondContact O-N 3.08Å; V319-K332 HydrophobicContact CG1-CB 3.66Å; V319-K332 HydrophobicContact CG1-CD 4.23Å; V319-K332 HydrophobicContact CG1-CG 3.86Å; V319-I333 WeakPolarHBondContact CA-O 3.47Å
320	A	94.3	Very high	78.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.8	174.5	0	0	0	0	0	109.8	F296 N300 L301 L323 I333 V335	F296-A320 HydrophobicContact CE1-CB 4.29Å; F296-A320 HydrophobicContact CZ-CB 3.84Å; N300-A320 WeakPolarHBondContact O-CA 3.25Å; L301-A320 HydrophobicContact CD1-CB 4.04Å; A320-L323 HydrophobicContact CB-CD1 4.06Å; A320-L323 HydrophobicContact CB-CD2 4.11Å; A320-L323 HydrophobicContact CB-CG 3.85Å; A320-I333 PolarHBondContact N-O 2.92Å; A320-I333 PolarHBondContact O-N 3.47Å; A320-V335 HydrophobicContact CB-CG1 3.76Å; A320-V335 HydrophobicContact CB-CG2 4Å
321	E	92	Very high	78.8	Confident	66 Å²	66	57.7 Å²	57.7	31%	0.308	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.8	171.8	-67	177.9	-172.5	0	0	110.1	F296 N300 L323 K332	F296-E321 VanDerWaalsContact CE2-O 3.23Å; F296-E321 WeakPolarHBondContact CE2-O 3.45Å; F296-E321 WeakPolarHBondContact CZ-O 3.23Å; N300-E321 HydrophobicContact CB-CB 4.37Å; N300-E321 WeakPolarHBondContact CB-O 3.35Å; N300-E321 PolarHBondContact O-N 3.48Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L323 PolarHBondContact O-N 3.5Å; E321-K332 HydrophobicContact CG-CG 3.79Å; E321-K332 WeakPolarHBondContact OE1-CE 3.49Å; E321-K332 IonicContact OE1-NZ 3.35Å
322	N	85.3	Confident	79.8	Confident	65 Å²	65	62 Å²	62	35%	0.348	32%	0.323	S	S	.	.	S	Bend	trans	59.9	39.7	176.5	-48.8	-45	0	0	0	113.5	N300 T329	N300-N322 PolarHBondContact ND2-ND2 2.98Å; N322-T329 PolarHBondContact OD1-O 3.08Å
323	L	80.3	Confident	81	Confident	9 Å²	9	61.5 Å²	61.5	5%	0.047	32%	0.322	C	S	.	.			trans	-59.7	136.8	173.7	-85.1	176.2	0	0	0	110.7	F296 A320 E321 N325 C326 I333 V335 Y371 I383	F296-L323 HydrophobicContact CD2-CD2 3.81Å; F296-L323 HydrophobicContact CE2-CD2 3.69Å; F296-L323 HydrophobicContact CE2-CG 4.18Å; F296-L323 HydrophobicContact CZ-CD2 4.37Å; A320-L323 HydrophobicContact CB-CD1 4.06Å; A320-L323 HydrophobicContact CB-CD2 4.11Å; A320-L323 HydrophobicContact CB-CG 3.85Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L323 PolarHBondContact O-N 3.5Å; L323-N325 PolarHBondContact O-N 3.4Å; L323-C326 PolarHBondContact O-N 2.85Å; L323-I333 HydrophobicContact CB-CD1 4.46Å; L323-I333 HydrophobicContact CD1-CB 4.01Å; L323-I333 HydrophobicContact CD1-CD1 3.89Å; L323-I333 HydrophobicContact CD1-CG2 4.01Å; L323-V335 HydrophobicContact CD1-CG1 4.1Å; L323-Y371 HydrophobicContact CD1-CD2 3.79Å; L323-Y371 HydrophobicContact CD1-CE2 4.36Å; L323-Y371 HydrophobicContact CD1-CG 3.97Å; L323-I383 HydrophobicContact CD2-CG2 4.46Å
324	P	67.7	Low	81.4	Confident	48 Å²	48	64.1 Å²	64.1	31%	0.312	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	137.2	171.6	-20.7	31	0	0	0	110.3
325	N	66.2	Low	81.6	Confident	139 Å²	139	64 Å²	64	74%	0.743	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	5	-178	-47.1	-52.5	0	0	0	117.1	L323	L323-N325 PolarHBondContact O-N 3.4Å
326	C	60	Low	81.7	Confident	38 Å²	38	62.7 Å²	62.7	26%	0.257	33%	0.327	S	S	.	.			trans	-83	128	168.1	-64.4	0	0	0	0	110.4	L323 N328 I333	L323-C326 PolarHBondContact O-N 2.85Å; C326-N328 PolarHBondContact O-N 3.43Å; C326-I333 HydrophobicContact CB-CD1 4.28Å; C326-I333 WeakPolarHBondContact SG-CD1 3.25Å
327	I	56.4	Low	81.8	Confident	168 Å²	168	62.5 Å²	62.5	86%	0.862	33%	0.327	S	S	*	.	S	Bend	trans	-59.7	-35.1	-178.8	-61	170.9	0	0	0	110.9
328	N	62.2	Low	81.8	Confident	102 Å²	102	59.5 Å²	59.5	55%	0.545	32%	0.316	S	S	.	.	S	Bend	trans	-99.2	105.7	178.7	-69.9	-32.5	0	0	0	110.6	C326 N330 E331	C326-N328 PolarHBondContact O-N 3.43Å; N328-N330 PolarHBondContact O-N 2.91Å; N328-E331 HydrophobicContact CB-CB 4.09Å; N328-E331 PolarHBondContact O-N 3.35Å; N328-E331 VanDerWaalsContact O-N 3.15Å
329	T	57.8	Low	81.8	Confident	106 Å²	106	59.5 Å²	59.5	65%	0.65	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	27.9	177.5	51.9	0	0	0	0	114.4	N322	N322-T329 PolarHBondContact OD1-O 3.08Å
330	N	67.7	Low	81.6	Confident	137 Å²	137	58.5 Å²	58.5	73%	0.733	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151	7.5	174.4	-85.5	-32.1	0	0	0	111.9	N328 K332	N328-N330 PolarHBondContact O-N 2.91Å; N330-K332 PolarHBondContact O-N 3.16Å
331	E	81.8	Confident	81.4	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	32%	0.323	S	S	.	.			trans	-75	126	-180	-168.2	171.1	178.9	0	0	110.3	N328 I333	N328-E331 HydrophobicContact CB-CB 4.09Å; N328-E331 PolarHBondContact O-N 3.35Å; N328-E331 VanDerWaalsContact O-N 3.15Å; E331-I333 HydrophobicContact CG-CG1 4.16Å
332	K	89	Confident	81.2	Confident	136 Å²	136	62.7 Å²	62.7	59%	0.591	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.9	171	-79.7	179.6	170.1	-176	0	109.1	V319 E321 N330	V319-K332 HydrophobicContact CG1-CB 3.66Å; V319-K332 HydrophobicContact CG1-CD 4.23Å; V319-K332 HydrophobicContact CG1-CG 3.86Å; E321-K332 HydrophobicContact CG-CG 3.79Å; E321-K332 WeakPolarHBondContact OE1-CE 3.49Å; E321-K332 IonicContact OE1-NZ 3.35Å; N330-K332 PolarHBondContact O-N 3.16Å
333	I	92	Very high	81.3	Confident	27 Å²	27	65.6 Å²	65.6	14%	0.138	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	-177.4	-64.7	170.5	0	0	0	109.4	V319 A320 L323 C326 E331 V335 Y371	V319-I333 WeakPolarHBondContact CA-O 3.47Å; A320-I333 PolarHBondContact N-O 2.92Å; A320-I333 PolarHBondContact O-N 3.47Å; L323-I333 HydrophobicContact CB-CD1 4.46Å; L323-I333 HydrophobicContact CD1-CB 4.01Å; L323-I333 HydrophobicContact CD1-CD1 3.89Å; L323-I333 HydrophobicContact CD1-CG2 4.01Å; C326-I333 HydrophobicContact CB-CD1 4.28Å; C326-I333 WeakPolarHBondContact SG-CD1 3.25Å; E331-I333 HydrophobicContact CG-CG1 4.16Å; I333-V335 HydrophobicContact CG2-CG1 4.09Å; I333-V335 PolarHBondContact O-N 2.99Å; I333-Y371 HydrophobicContact CG2-CE2 4.17Å
334	D	93.2	Very high	81.5	Confident	61 Å²	61	66.4 Å²	66.4	33%	0.326	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.4	169.3	-93.7	-24	0	0	0	109.8	R317 Y386	R317-D334 IonicContact CZ-OD1 3.61Å; R317-D334 IonicContact CZ-OD2 3.67Å; R317-D334 IonicContact NE-OD1 2.96Å; R317-D334 IonicContact NE-OD2 3.76Å; R317-D334 IonicContact NH2-OD1 3.25Å; R317-D334 PolarHBondContact NH2-OD1 3.08Å; R317-D334 IonicContact NH2-OD2 2.88Å; R317-D334 PolarHBondContact NH2-OD2 3.39Å; D334-Y386 HydrophobicContact CB-CD1 4.06Å
335	V	95.5	Very high	82.2	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.8	-176.6	-62.6	0	0	0	0	112.1	L301 R317 G318 A320 L323 I333 V337 Y371 I383 M384	L301-V335 HydrophobicContact CD1-CG2 3.84Å; R317-V335 CarbonylContact C-O 3.58Å; R317-V335 WeakPolarHBondContact CA-O 3.47Å; G318-V335 PolarHBondContact N-O 3.36Å; G318-V335 WeakPolarHBondContact O-CG2 3.42Å; G318-V335 PolarHBondContact O-N 3.32Å; A320-V335 HydrophobicContact CB-CG1 3.76Å; A320-V335 HydrophobicContact CB-CG2 4Å; L323-V335 HydrophobicContact CD1-CG1 4.1Å; I333-V335 HydrophobicContact CG2-CG1 4.09Å; I333-V335 PolarHBondContact O-N 2.99Å; V335-V337 HydrophobicContact CG2-CG2 3.84Å; V335-Y371 HydrophobicContact CG1-CD2 3.69Å; V335-Y371 HydrophobicContact CG1-CE2 4.01Å; V335-I383 HydrophobicContact CB-CG2 3.78Å; V335-I383 HydrophobicContact CG1-CG2 3.81Å; V335-I383 HydrophobicContact CG2-CG2 4.01Å; V335-M384 WeakPolarHBondContact CA-O 3.49Å
336	A	95.9	Very high	82.9	Confident	11 Å²	11	67.9 Å²	67.9	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.4	163.4	0	0	0	0	0	108.8	L307 V315 Y316 M384	L307-A336 HydrophobicContact CD1-CB 4.33Å; V315-A336 HydrophobicContact CG1-CB 4.19Å; Y316-A336 CarbonylContact O-C 3.54Å; Y316-A336 WeakPolarHBondContact O-CA 3.38Å; A336-M384 PolarHBondContact N-O 3.02Å; A336-M384 PolarHBondContact O-N 2.91Å
337	V	95.9	Very high	83.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.1	-176	-173.8	0	0	0	0	109.4	L301 L303 V315 Y316 V335 L381 L382	L301-V337 HydrophobicContact CD1-CG2 3.94Å; L301-V337 HydrophobicContact CD2-CG1 4.07Å; L301-V337 HydrophobicContact CD2-CG2 4.03Å; L301-V337 HydrophobicContact CG-CG2 4.41Å; L303-V337 HydrophobicContact CD2-CB 3.65Å; L303-V337 HydrophobicContact CD2-CG1 3.97Å; L303-V337 HydrophobicContact CD2-CG2 3.53Å; V315-V337 CarbonylContact C-O 3.57Å; V315-V337 WeakPolarHBondContact CA-O 3.45Å; Y316-V337 PolarHBondContact N-O 3.44Å; Y316-V337 PolarHBondContact O-N 3.1Å; V335-V337 HydrophobicContact CG2-CG2 3.84Å; V337-L381 HydrophobicContact CG1-CB 3.83Å; V337-L381 HydrophobicContact CG1-CD1 4.31Å; V337-L381 HydrophobicContact CG1-CD2 4.17Å; V337-L381 HydrophobicContact CG1-CG 4.34Å; V337-L382 CarbonylContact C-O 3.6Å; V337-L382 VanDerWaalsContact CA-O 3.3Å; V337-L382 WeakPolarHBondContact CA-O 3.28Å
338	K	95.2	Very high	85	Confident	9 Å²	9	61.3 Å²	61.3	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.2	177	-170.2	179	-168.2	-178.3	0	109.9	F312 I314 V315 F352 E355 L382 M384 D454	F312-K338 WeakPolarHBondContact O-CE 3.43Å; I314-K338 CarbonylContact O-C 3.54Å; I314-K338 WeakPolarHBondContact O-CA 2.75Å; V315-K338 HydrophobicContact CG2-CB 4.2Å; V315-K338 HydrophobicContact CG2-CG 4.03Å; K338-F352 HydrophobicContact CB-CE2 4.45Å; K338-F352 HydrophobicContact CG-CE2 4.16Å; K338-F352 WeakPolarHBondContact O-CZ 3.34Å; K338-E355 IonicContact NZ-OE1 3.35Å; K338-E355 PolarHBondContact NZ-OE1 2.93Å; K338-E355 IonicContact NZ-OE2 3.56Å; K338-E355 PolarHBondContact NZ-OE2 3.43Å; K338-L382 HydrophobicContact CB-CB 4.22Å; K338-L382 HydrophobicContact CB-CD2 4.39Å; K338-L382 HydrophobicContact CB-CG 4.44Å; K338-L382 HydrophobicContact CD-CD2 4.27Å; K338-L382 PolarHBondContact N-O 2.97Å; K338-L382 PolarHBondContact O-N 2.81Å; K338-M384 HydrophobicContact CB-CE 3.73Å; K338-D454 IonicContact NZ-OD1 3.93Å; K338-D454 PolarHBondContact NZ-OD1 3.04Å
339	T	95	Very high	86	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	171.9	176.8	-167.8	0	0	0	0	111.5	L275 L278 G313 I314 Y316 P380 L381	L275-T339 HydrophobicContact CD2-CG2 4.04Å; L278-T339 HydrophobicContact CD2-CG2 4.47Å; G313-T339 CarbonylContact C-O 3.51Å; G313-T339 VanDerWaalsContact CA-O 3.24Å; G313-T339 WeakPolarHBondContact CA-O 3.19Å; I314-T339 PolarHBondContact N-O 2.87Å; I314-T339 PolarHBondContact O-N 2.71Å; Y316-T339 HydrophobicContact CD2-CG2 4.3Å; Y316-T339 HydrophobicContact CE2-CG2 3.84Å; T339-P380 PolarHBondContact OG1-O 3.15Å; T339-P380 VanDerWaalsContact OG1-O 3.04Å; T339-L381 HydrophobicContact CG2-CD2 4.37Å; T339-L381 WeakPolarHBondContact OG1-CD2 3.47Å
340	L	91.2	Very high	87.2	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	30%	0.295	C	S	.	.			trans	-68.2	158.1	-177.8	-62.8	172.4	0	0	0	112.6	R274 F282 F344 D348 V349 F352 P380	R274-L340 PolarHBondContact NH2-O 2.65Å; F282-L340 HydrophobicContact CD2-CD1 3.97Å; F282-L340 HydrophobicContact CE2-CD1 3.86Å; L340-F344 HydrophobicContact CB-CB 4.1Å; L340-F344 HydrophobicContact CB-CG 4.33Å; L340-F344 HydrophobicContact CD1-CB 4.4Å; L340-F344 HydrophobicContact CD1-CD2 4Å; L340-F344 HydrophobicContact CD1-CE2 4.47Å; L340-F344 HydrophobicContact CD1-CG 4.14Å; L340-D348 HydrophobicContact CD2-CB 4.39Å; L340-V349 HydrophobicContact CD1-CG2 3.9Å; L340-F352 HydrophobicContact CD2-CB 3.9Å; L340-F352 HydrophobicContact CD2-CD2 4.11Å; L340-F352 HydrophobicContact CD2-CG 4.14Å; L340-P380 HydrophobicContact CD1-CG 4.02Å; L340-P380 HydrophobicContact CG-CG 4.39Å
341	K	89.6	Confident	87.8	Confident	70 Å²	70	50 Å²	50	30%	0.304	27%	0.265	S	S	.	.			trans	-75.9	171	167.8	-65.8	-172.6	178	177.6	0	111	L278 G310 D343 F344	L278-K341 WeakPolarHBondContact CD1-O 3.46Å; G310-K341 WeakPolarHBondContact O-CE 2.92Å; G310-K341 PolarHBondContact O-NZ 2.92Å; K341-D343 VanDerWaalsContact CB-OD1 3.29Å; K341-D343 WeakPolarHBondContact CB-OD1 3.29Å; K341-F344 VanDerWaalsContact O-CD1 3.25Å; K341-F344 WeakPolarHBondContact O-CD1 3.38Å
342	D	88.2	Confident	88	Confident	85 Å²	85	45.4 Å²	45.4	46%	0.455	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-34.6	178.5	-57	-38.3	0	0	0	112.5	R274 F344	R274-D342 WeakPolarHBondContact CG-OD1 3.38Å; R274-D342 IonicContact CZ-OD1 3.57Å; R274-D342 IonicContact CZ-OD2 3.83Å; R274-D342 IonicContact NE-OD1 3.71Å; R274-D342 PolarHBondContact NE-OD1 3.24Å; R274-D342 IonicContact NE-OD2 3.28Å; R274-D342 PolarHBondContact NE-OD2 3.42Å; R274-D342 IonicContact NH1-OD1 3.94Å; R274-D342 IonicContact NH2-OD1 3.27Å; R274-D342 PolarHBondContact NH2-OD1 2.98Å; R274-D342 IonicContact NH2-OD2 2.83Å; D342-F344 VanDerWaalsContact C-N 3.28Å; D342-F344 PolarHBondContact O-N 2.87Å
343	D	85.8	Confident	88	Confident	126 Å²	126	41.2 Å²	41.2	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	30.5	179.9	64	-31	0	0	0	112.8	K341	K341-D343 VanDerWaalsContact CB-OD1 3.29Å; K341-D343 WeakPolarHBondContact CB-OD1 3.29Å
344	F	84.7	Confident	87.7	Confident	25 Å²	25	43.1 Å²	43.1	11%	0.11	24%	0.237	C	C	.	.			trans	-63.5	142.4	-175.6	70.8	-84.6	0	0	0	112.3	L278 L281 F282 Y286 L340 K341 D342 D348 V349	L278-F344 HydrophobicContact CD1-CD1 3.77Å; L278-F344 HydrophobicContact CD1-CE1 3.69Å; L281-F344 HydrophobicContact CD2-CE1 3.78Å; L281-F344 HydrophobicContact CD2-CZ 4.48Å; L281-F344 HydrophobicContact CG-CE1 4.01Å; L281-F344 HydrophobicContact CG-CZ 4.27Å; F282-F344 HydrophobicContact CB-CZ 4.23Å; F282-F344 AromaticContact CD2-CE2 3.79Å; F282-F344 HydrophobicContact CD2-CE2 3.79Å; F282-F344 AromaticContact CD2-CZ 3.84Å; F282-F344 HydrophobicContact CD2-CZ 3.84Å; F282-F344 HydrophobicContact CE2-CE2 4.34Å; Y286-F344 AromaticContact CD2-CE2 3.94Å; Y286-F344 HydrophobicContact CD2-CE2 3.94Å; Y286-F344 HydrophobicContact CD2-CZ 4.44Å; Y286-F344 HydrophobicContact CE2-CD2 4.49Å; Y286-F344 AromaticContact CE2-CE2 3.53Å; Y286-F344 HydrophobicContact CE2-CE2 3.53Å; Y286-F344 HydrophobicContact CE2-CZ 4.26Å; L340-F344 HydrophobicContact CB-CB 4.1Å; L340-F344 HydrophobicContact CB-CG 4.33Å; L340-F344 HydrophobicContact CD1-CB 4.4Å; L340-F344 HydrophobicContact CD1-CD2 4Å; L340-F344 HydrophobicContact CD1-CE2 4.47Å; L340-F344 HydrophobicContact CD1-CG 4.14Å; K341-F344 VanDerWaalsContact O-CD1 3.25Å; K341-F344 WeakPolarHBondContact O-CD1 3.38Å; D342-F344 VanDerWaalsContact C-N 3.28Å; D342-F344 PolarHBondContact O-N 2.87Å; F344-D348 HydrophobicContact CB-CB 4.33Å; F344-V349 HydrophobicContact CD2-CG2 3.71Å; F344-V349 HydrophobicContact CE2-CG2 4.05Å
345	T	83.9	Confident	87.5	Confident	77 Å²	77	40.4 Å²	40.4	47%	0.472	22%	0.222	S	C	.	.			trans	-104.3	164.9	172.4	66.3	0	0	0	0	110.8	G347 D348 V349	T345-G347 PolarHBondContact O-N 3.31Å; T345-G347 PolarHBondContact OG1-N 2.92Å; T345-D348 WeakPolarHBondContact CB-OD2 3.42Å; T345-D348 PolarHBondContact N-OD2 2.9Å; T345-D348 WeakPolarHBondContact O-CA 3.37Å; T345-D348 WeakPolarHBondContact O-CB 3.27Å; T345-D348 PolarHBondContact O-N 3.39Å; T345-D348 PolarHBondContact OG1-N 3.42Å; T345-D348 PolarHBondContact OG1-OD2 3.26Å; T345-V349 PolarHBondContact O-N 2.95Å; T345-V349 VanDerWaalsContact O-N 3.09Å
346	E	80.3	Confident	87.2	Confident	141 Å²	141	40.5 Å²	40.5	66%	0.659	22%	0.223	S	C	*	.	H	α-helix	trans	-54	-35.8	170.9	-173.1	179.5	-174.7	0	0	112.1	Y286 D348 V349 S350	Y286-E346 HydrophobicContact CE1-CG 4.32Å; E346-D348 VanDerWaalsContact C-N 3.33Å; E346-D348 PolarHBondContact O-N 3.47Å; E346-V349 PolarHBondContact O-N 3.46Å; E346-S350 PolarHBondContact O-N 3.31Å
347	G	79.4	Confident	86.9	Confident	31 Å²	31	43.7 Å²	43.7	32%	0.32	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-35.9	173.6	0	0	0	0	0	113.3	T345 S350 E351	T345-G347 PolarHBondContact O-N 3.31Å; T345-G347 PolarHBondContact OG1-N 2.92Å; G347-S350 PolarHBondContact O-N 3.42Å; G347-E351 WeakPolarHBondContact O-CB 3.33Å; G347-E351 WeakPolarHBondContact O-CG 3.47Å; G347-E351 PolarHBondContact O-N 2.98Å
348	D	81.5	Confident	86.6	Confident	37 Å²	37	43.8 Å²	43.8	20%	0.198	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-37.9	175.1	-62	-61.1	0	0	0	111.8	L340 F344 T345 E346 E351 F352 K469	L340-D348 HydrophobicContact CD2-CB 4.39Å; F344-D348 HydrophobicContact CB-CB 4.33Å; T345-D348 WeakPolarHBondContact CB-OD2 3.42Å; T345-D348 PolarHBondContact N-OD2 2.9Å; T345-D348 WeakPolarHBondContact O-CA 3.37Å; T345-D348 WeakPolarHBondContact O-CB 3.27Å; T345-D348 PolarHBondContact O-N 3.39Å; T345-D348 PolarHBondContact OG1-N 3.42Å; T345-D348 PolarHBondContact OG1-OD2 3.26Å; E346-D348 VanDerWaalsContact C-N 3.33Å; E346-D348 PolarHBondContact O-N 3.47Å; D348-E351 PolarHBondContact O-N 2.8Å; D348-F352 VanDerWaalsContact O-CB 3.31Å; D348-F352 WeakPolarHBondContact O-CB 3.33Å; D348-F352 PolarHBondContact O-N 2.76Å; D348-K469 WeakPolarHBondContact OD1-CE 2.84Å; D348-K469 IonicContact OD1-NZ 3.45Å; D348-K469 PolarHBondContact OD1-NZ 2.71Å
349	V	83.1	Confident	86.5	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-47.8	173.4	-176	0	0	0	0	110.1	F282 L340 F344 T345 E346 E351 F352 L353	F282-V349 HydrophobicContact CE2-CG1 4.12Å; F282-V349 HydrophobicContact CE2-CG2 3.99Å; F282-V349 HydrophobicContact CZ-CG1 4.35Å; L340-V349 HydrophobicContact CD1-CG2 3.9Å; F344-V349 HydrophobicContact CD2-CG2 3.71Å; F344-V349 HydrophobicContact CE2-CG2 4.05Å; T345-V349 PolarHBondContact O-N 2.95Å; T345-V349 VanDerWaalsContact O-N 3.09Å; E346-V349 PolarHBondContact O-N 3.46Å; V349-E351 PolarHBondContact O-N 3.2Å; V349-F352 PolarHBondContact O-N 3.35Å; V349-L353 HydrophobicContact CG1-CD1 4.07Å; V349-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 WeakPolarHBondContact O-CG 3.16Å; V349-L353 PolarHBondContact O-N 2.93Å
350	S	82.6	Confident	86.3	Confident	78 Å²	78	45.2 Å²	45.2	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-43.9	178.2	-175.6	0	0	0	0	112.5	E346 G347 L353 M354	E346-S350 PolarHBondContact O-N 3.31Å; G347-S350 PolarHBondContact O-N 3.42Å; S350-L353 PolarHBondContact O-N 3.3Å; S350-M354 WeakPolarHBondContact O-CB 2.97Å; S350-M354 PolarHBondContact O-N 3.49Å
351	E	80.8	Confident	86.3	Confident	22 Å²	22	50 Å²	50	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-40.1	176	-76.4	-179.3	-178.9	0	0	112.3	G347 D348 V349 M354 E355 K469	G347-E351 WeakPolarHBondContact O-CB 3.33Å; G347-E351 WeakPolarHBondContact O-CG 3.47Å; G347-E351 PolarHBondContact O-N 2.98Å; D348-E351 PolarHBondContact O-N 2.8Å; V349-E351 PolarHBondContact O-N 3.2Å; E351-M354 PolarHBondContact O-N 3.45Å; E351-E355 PolarHBondContact O-N 3.44Å; E351-K469 WeakPolarHBondContact OE2-CE 3.42Å; E351-K469 IonicContact OE2-NZ 3.35Å; E351-K469 PolarHBondContact OE2-NZ 2.84Å
352	F	85.6	Confident	86.5	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-47.3	175.9	-175.5	-81.3	0	0	0	111.6	K338 L340 D348 V349 M354 E355 V356 P380 L382	K338-F352 HydrophobicContact CB-CE2 4.45Å; K338-F352 HydrophobicContact CG-CE2 4.16Å; K338-F352 WeakPolarHBondContact O-CZ 3.34Å; L340-F352 HydrophobicContact CD2-CB 3.9Å; L340-F352 HydrophobicContact CD2-CD2 4.11Å; L340-F352 HydrophobicContact CD2-CG 4.14Å; D348-F352 VanDerWaalsContact O-CB 3.31Å; D348-F352 WeakPolarHBondContact O-CB 3.33Å; D348-F352 PolarHBondContact O-N 2.76Å; V349-F352 PolarHBondContact O-N 3.35Å; F352-M354 VanDerWaalsContact C-N 3.32Å; F352-M354 PolarHBondContact O-N 3.44Å; F352-E355 WeakPolarHBondContact O-CB 3.48Å; F352-E355 PolarHBondContact O-N 2.97Å; F352-V356 HydrophobicContact CD1-CG2 3.99Å; F352-V356 HydrophobicContact CE1-CG2 3.67Å; F352-V356 HydrophobicContact CZ-CG2 4.45Å; F352-V356 WeakPolarHBondContact O-CG2 3.26Å; F352-V356 PolarHBondContact O-N 3.33Å; F352-P380 HydrophobicContact CD1-CB 4.07Å; F352-P380 HydrophobicContact CD1-CG 3.95Å; F352-P380 HydrophobicContact CE1-CB 3.66Å; F352-P380 HydrophobicContact CE1-CG 3.96Å; F352-P380 HydrophobicContact CZ-CB 4.4Å; F352-L382 HydrophobicContact CE1-CB 4.14Å; F352-L382 HydrophobicContact CE2-CB 4.22Å; F352-L382 HydrophobicContact CZ-CB 3.52Å
353	L	87.9	Confident	86.9	Confident	48 Å²	48	47.5 Å²	47.5	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-66.6	-34.7	178.6	-67	175.8	0	0	0	112.1	L288 V349 S350 V356 N357	L288-L353 HydrophobicContact CD1-CD2 4.11Å; L288-L353 HydrophobicContact CD2-CD1 3.87Å; V349-L353 HydrophobicContact CG1-CD1 4.07Å; V349-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 WeakPolarHBondContact O-CG 3.16Å; V349-L353 PolarHBondContact O-N 2.93Å; S350-L353 PolarHBondContact O-N 3.3Å; L353-V356 PolarHBondContact O-N 3.49Å; L353-N357 WeakPolarHBondContact O-CB 3.13Å; L353-N357 VanDerWaalsContact O-CG 3.28Å; L353-N357 PolarHBondContact O-N 3.4Å; L353-N357 PolarHBondContact O-ND2 3.32Å
354	M	86	Confident	87.4	Confident	68 Å²	68	43.8 Å²	43.8	34%	0.335	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-45.1	171.1	-179.4	62.4	67.9	0	0	111.2	S350 E351 F352 N357 I358	S350-M354 WeakPolarHBondContact O-CB 2.97Å; S350-M354 PolarHBondContact O-N 3.49Å; E351-M354 PolarHBondContact O-N 3.45Å; F352-M354 VanDerWaalsContact C-N 3.32Å; F352-M354 PolarHBondContact O-N 3.44Å; M354-N357 PolarHBondContact O-N 3.01Å; M354-I358 HydrophobicContact CG-CD1 4.12Å; M354-I358 WeakPolarHBondContact O-CG1 3.39Å; M354-I358 PolarHBondContact O-N 3.12Å; M354-I358 HydrophobicContact SD-CD1 4.31Å; M354-I358 HydrophobicContact SD-CG1 4.48Å
355	E	89.3	Confident	88	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-46.4	175.8	-177.3	174.2	-171.6	0	0	111.4	K338 E351 F352 N357 I358 M359 L382 F455 G456	K338-E355 IonicContact NZ-OE1 3.35Å; K338-E355 PolarHBondContact NZ-OE1 2.93Å; K338-E355 IonicContact NZ-OE2 3.56Å; K338-E355 PolarHBondContact NZ-OE2 3.43Å; E351-E355 PolarHBondContact O-N 3.44Å; F352-E355 WeakPolarHBondContact O-CB 3.48Å; F352-E355 PolarHBondContact O-N 2.97Å; E355-N357 VanDerWaalsContact C-N 3.33Å; E355-N357 PolarHBondContact O-N 2.96Å; E355-I358 PolarHBondContact O-N 2.68Å; E355-M359 HydrophobicContact CG-CG 4.44Å; E355-M359 HydrophobicContact CG-SD 4.3Å; E355-M359 WeakPolarHBondContact O-CB 3.42Å; E355-M359 WeakPolarHBondContact O-CG 3.15Å; E355-M359 PolarHBondContact O-N 2.73Å; E355-L382 HydrophobicContact CG-CD2 4.32Å; E355-F455 HydrophobicContact CG-CB 3.98Å; E355-F455 PolarHBondContact OE1-N 2.89Å; E355-G456 PolarHBondContact OE1-N 2.7Å
356	V	89.3	Confident	88.7	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-47.5	174.4	170.6	0	0	0	0	111	F352 L353 I358 M359 K360 F370 V373 L382	F352-V356 HydrophobicContact CD1-CG2 3.99Å; F352-V356 HydrophobicContact CE1-CG2 3.67Å; F352-V356 HydrophobicContact CZ-CG2 4.45Å; F352-V356 WeakPolarHBondContact O-CG2 3.26Å; F352-V356 PolarHBondContact O-N 3.33Å; L353-V356 PolarHBondContact O-N 3.49Å; V356-I358 PolarHBondContact O-N 3.07Å; V356-M359 PolarHBondContact O-N 3.08Å; V356-K360 HydrophobicContact CG1-CD 4.42Å; V356-K360 WeakPolarHBondContact O-CG 3.03Å; V356-K360 PolarHBondContact O-N 3.31Å; V356-F370 HydrophobicContact CG1-CE2 4.34Å; V356-V373 HydrophobicContact CG1-CB 4.22Å; V356-V373 HydrophobicContact CG1-CG1 4.49Å; V356-V373 HydrophobicContact CG1-CG2 4.15Å; V356-V373 HydrophobicContact CG2-CG2 4.31Å; V356-L382 HydrophobicContact CG2-CB 4.14Å; V356-L382 HydrophobicContact CG2-CD1 4.25Å; V356-L382 HydrophobicContact CG2-CD2 4.33Å; V356-L382 HydrophobicContact CG2-CG 4.47Å
357	N	89.3	Confident	89.5	Confident	77 Å²	77	37.8 Å²	37.8	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-65	-37.3	-178.9	-74.5	-21.6	0	0	0	113.1	L353 M354 E355 K360	L353-N357 WeakPolarHBondContact O-CB 3.13Å; L353-N357 VanDerWaalsContact O-CG 3.28Å; L353-N357 PolarHBondContact O-N 3.4Å; L353-N357 PolarHBondContact O-ND2 3.32Å; M354-N357 PolarHBondContact O-N 3.01Å; E355-N357 VanDerWaalsContact C-N 3.33Å; E355-N357 PolarHBondContact O-N 2.96Å; N357-K360 PolarHBondContact OD1-NZ 3.41Å
358	I	89.7	Confident	90.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-51.3	172.7	-71.6	168.5	0	0	0	109.5	M354 E355 V356 K360 Q361 L362 L432 F455 T458	M354-I358 HydrophobicContact CG-CD1 4.12Å; M354-I358 WeakPolarHBondContact O-CG1 3.39Å; M354-I358 PolarHBondContact O-N 3.12Å; M354-I358 HydrophobicContact SD-CD1 4.31Å; M354-I358 HydrophobicContact SD-CG1 4.48Å; E355-I358 PolarHBondContact O-N 2.68Å; V356-I358 PolarHBondContact O-N 3.07Å; I358-K360 VanDerWaalsContact C-N 3.32Å; I358-K360 PolarHBondContact O-N 3.16Å; I358-Q361 PolarHBondContact O-N 3.28Å; I358-L362 HydrophobicContact CG2-CD1 4.06Å; I358-L362 WeakPolarHBondContact O-CG 3.37Å; I358-L432 HydrophobicContact CG2-CD1 4.19Å; I358-L432 HydrophobicContact CG2-CD2 4.36Å; I358-F455 HydrophobicContact CG2-CD1 4.28Å; I358-T458 HydrophobicContact CD1-CG2 4.27Å; I358-T458 WeakPolarHBondContact CD1-O 3.34Å; I358-T458 HydrophobicContact CG2-CG2 4.11Å
359	M	93.7	Very high	91	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-34.3	-174.7	-74	-165.5	69	0	0	113.8	E355 V356 Q361 L362 I368 F370 L382 M384 F455	E355-M359 HydrophobicContact CG-CG 4.44Å; E355-M359 HydrophobicContact CG-SD 4.3Å; E355-M359 WeakPolarHBondContact O-CB 3.42Å; E355-M359 WeakPolarHBondContact O-CG 3.15Å; E355-M359 PolarHBondContact O-N 2.73Å; V356-M359 PolarHBondContact O-N 3.08Å; M359-Q361 PolarHBondContact O-N 3.22Å; M359-Q361 VanDerWaalsContact O-N 3.14Å; M359-L362 PolarHBondContact O-N 3.13Å; M359-L362 VanDerWaalsContact O-N 3.08Å; M359-I368 HydrophobicContact CE-CG2 4.33Å; M359-F370 HydrophobicContact CB-CB 4.2Å; M359-F370 HydrophobicContact CB-CD2 4.05Å; M359-F370 HydrophobicContact CB-CG 4.37Å; M359-F370 HydrophobicContact CE-CB 4.36Å; M359-L382 HydrophobicContact SD-CD1 4.22Å; M359-L382 HydrophobicContact SD-CD2 3.79Å; M359-M384 HydrophobicContact CE-CG 3.75Å; M359-M384 HydrophobicContact CE-SD 3.58Å; M359-M384 VanDerWaalsContact CE-SD 3.58Å; M359-M384 HydrophobicContact SD-CG 4.42Å; M359-M384 HydrophobicContact SD-SD 3.78Å; M359-F455 HydrophobicContact CE-CD2 4.47Å; M359-F455 HydrophobicContact CG-CB 4.26Å; M359-F455 HydrophobicContact CG-CD2 4Å; M359-F455 HydrophobicContact CG-CG 4.25Å; M359-F455 HydrophobicContact SD-CD2 4.16Å
360	K	91	Very high	91.5	Very high	36 Å²	36	38 Å²	38	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-55.7	-29.3	174	-76.9	172	-178	168	0	113.7	D291 Y294 V356 N357 I358 F370	D291-K360 VanDerWaalsContact CG-NZ 3.34Å; D291-K360 IonicContact OD1-NZ 2.66Å; D291-K360 WeakPolarHBondContact OD2-CE 3.25Å; D291-K360 IonicContact OD2-NZ 2.79Å; D291-K360 PolarHBondContact OD2-NZ 3.11Å; Y294-K360 HydrophobicContact CD2-CD 3.92Å; Y294-K360 HydrophobicContact CD2-CG 3.91Å; Y294-K360 HydrophobicContact CE2-CB 4.33Å; Y294-K360 HydrophobicContact CE2-CD 4.31Å; Y294-K360 HydrophobicContact CE2-CG 4.11Å; V356-K360 HydrophobicContact CG1-CD 4.42Å; V356-K360 WeakPolarHBondContact O-CG 3.03Å; V356-K360 PolarHBondContact O-N 3.31Å; N357-K360 PolarHBondContact OD1-NZ 3.41Å; I358-K360 VanDerWaalsContact C-N 3.32Å; I358-K360 PolarHBondContact O-N 3.16Å; K360-F370 HydrophobicContact CG-CD1 4.13Å; K360-F370 HydrophobicContact CG-CE1 3.61Å; K360-F370 HydrophobicContact CG-CE2 4.3Å; K360-F370 HydrophobicContact CG-CZ 3.71Å
361	Q	91.3	Very high	92.1	Very high	107 Å²	107	36.6 Å²	36.6	50%	0.5	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.4	-176.3	-56.8	178.4	22.2	0	0	112.9	I358 M359	I358-Q361 PolarHBondContact O-N 3.28Å; M359-Q361 PolarHBondContact O-N 3.22Å; M359-Q361 VanDerWaalsContact O-N 3.14Å
362	L	94.2	Very high	92.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	16%	0.163	C	C	.	.			trans	-103.5	122.7	-174.4	-54.9	-178.2	0	0	0	111.3	I358 M359 I367 Y426 L427 L432 F455	I358-L362 HydrophobicContact CG2-CD1 4.06Å; I358-L362 WeakPolarHBondContact O-CG 3.37Å; M359-L362 PolarHBondContact O-N 3.13Å; M359-L362 VanDerWaalsContact O-N 3.08Å; L362-I367 HydrophobicContact CB-CG2 4.25Å; L362-I367 HydrophobicContact CD1-CG2 4.3Å; L362-Y426 HydrophobicContact CB-CE1 4.42Å; L362-Y426 HydrophobicContact CD2-CE1 3.91Å; L362-L427 HydrophobicContact CD1-CD2 4.04Å; L362-L427 HydrophobicContact CD2-CD2 3.85Å; L362-L432 HydrophobicContact CD2-CD1 3.53Å; L362-F455 HydrophobicContact CD1-CD1 3.83Å; L362-F455 HydrophobicContact CD1-CE1 3.41Å; L362-F455 VanDerWaalsContact CD1-CE1 3.41Å; L362-F455 HydrophobicContact CD1-CE2 4.23Å; L362-F455 HydrophobicContact CD1-CG 4.44Å; L362-F455 HydrophobicContact CD1-CZ 3.65Å
363	R	94.7	Very high	93.1	Very high	98 Å²	98	35.3 Å²	35.3	37%	0.37	16%	0.162	S	C	.	.			trans	-138.8	105.9	170.8	-64.7	-66.9	177.3	163.2	-4.5	108.7	E369 F370 Y426	R363-E369 IonicContact CZ-OE1 3.9Å; R363-E369 IonicContact NH1-OE1 2.6Å; R363-E369 PolarHBondContact NH1-OE1 3.43Å; R363-F370 PolarHBondContact NH2-O 3.17Å; R363-Y426 PolarHBondContact N-OH 3.11Å; R363-Y426 PolarHBondContact O-OH 2.79Å
364	H	97.3	Very high	93.4	Very high	48 Å²	48	33 Å²	33	22%	0.222	15%	0.15	C	C	.	.			trans	-157.2	144.4	178.3	-169.2	-106	0	0	0	111.3	H366 I367 D422 Y426	H364-H366 AromaticContact CE1-CD2 3.96Å; H364-H366 PolarHBondContact ND1-N 2.92Å; H364-H366 PolarHBondContact O-N 2.81Å; H364-H366 VanDerWaalsContact O-N 3.14Å; H364-I367 HydrophobicContact CB-CB 4.14Å; H364-I367 HydrophobicContact CB-CD1 3.88Å; H364-I367 HydrophobicContact CB-CG1 4.04Å; H364-I367 PolarHBondContact O-N 3.4Å; H364-I367 VanDerWaalsContact O-N 3.09Å; H364-D422 IonicContact CE1-OD2 3.78Å; H364-D422 PolarHBondContact CE1-OD2 2.95Å; H364-D422 IonicContact NE2-OD2 2.9Å; H364-Y426 HydrophobicContact CB-CD1 3.88Å; H364-Y426 HydrophobicContact CB-CD2 4.34Å; H364-Y426 HydrophobicContact CB-CE1 4.12Å; H364-Y426 HydrophobicContact CB-CG 3.96Å; H364-Y426 AromaticContact CD2-CD2 4Å; H364-Y426 AromaticContact CD2-CG 3.97Å; H364-Y426 AromaticContact CG-CG 3.97Å
365	K	97.3	Very high	93.6	Very high	105 Å²	105	30.2 Å²	30.2	46%	0.457	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28	-178.7	58.8	175.7	177.7	176.8	0	114	D422 K451	K365-D422 WeakPolarHBondContact CE-OD2 3.2Å; K365-D422 IonicContact NZ-OD2 3.07Å; K365-D422 PolarHBondContact NZ-OD2 3.26Å; K365-K451 PolarHBondContact O-NZ 3.42Å
366	H	98.5	Very high	93.6	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.046	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	21.1	179.9	-61.4	-51.1	0	0	0	114.1	H364 Q419 D422 L450 K451 I452	H364-H366 AromaticContact CE1-CD2 3.96Å; H364-H366 PolarHBondContact ND1-N 2.92Å; H364-H366 PolarHBondContact O-N 2.81Å; H364-H366 VanDerWaalsContact O-N 3.14Å; H366-Q419 VanDerWaalsContact CB-O 3.23Å; H366-Q419 WeakPolarHBondContact CB-O 3.31Å; H366-Q419 PolarHBondContact CD2-O 3.08Å; H366-Q419 WeakPolarHBondContact CE1-CG 3.46Å; H366-Q419 PolarHBondContact CE1-OE1 2.99Å; H366-Q419 VanDerWaalsContact CE1-OE1 3.29Å; H366-Q419 VanDerWaalsContact CG-O 3.26Å; H366-D422 IonicContact CD2-OD2 3.97Å; H366-D422 PolarHBondContact CD2-OD2 3.13Å; H366-D422 IonicContact NE2-OD2 3.87Å; H366-L450 WeakPolarHBondContact CA-O 3.1Å; H366-L450 PolarHBondContact ND1-O 2.97Å; H366-K451 WeakPolarHBondContact O-CA 3.32Å; H366-I452 PolarHBondContact O-N 3.4Å
367	I	98.1	Very high	93.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-121.3	145.1	169.4	-67.9	175.4	0	0	0	107.9	L362 H364 E369 Y426 L427 K451 I452 F455	L362-I367 HydrophobicContact CB-CG2 4.25Å; L362-I367 HydrophobicContact CD1-CG2 4.3Å; H364-I367 HydrophobicContact CB-CB 4.14Å; H364-I367 HydrophobicContact CB-CD1 3.88Å; H364-I367 HydrophobicContact CB-CG1 4.04Å; H364-I367 PolarHBondContact O-N 3.4Å; H364-I367 VanDerWaalsContact O-N 3.09Å; I367-E369 PolarHBondContact O-N 3.21Å; I367-Y426 HydrophobicContact CD1-CD1 3.4Å; I367-Y426 HydrophobicContact CD1-CE1 3.87Å; I367-Y426 HydrophobicContact CD1-CG 4.41Å; I367-L427 HydrophobicContact CD1-CD2 3.64Å; I367-L427 HydrophobicContact CD1-CG 3.95Å; I367-K451 PolarHBondContact O-NZ 2.97Å; I367-I452 HydrophobicContact CG1-CB 4.44Å; I367-F455 HydrophobicContact CG2-CE2 3.94Å; I367-F455 HydrophobicContact CG2-CZ 3.66Å
368	I	96.5	Very high	93.6	Very high	7 Å²	7	36 Å²	36	4%	0.036	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-61.6	126.2	173	-74.8	-67.6	0	0	0	109.7	M359 M384 E385 A387 L443 K451 I452 A453	M359-I368 HydrophobicContact CE-CG2 4.33Å; I368-M384 HydrophobicContact CG2-CB 3.89Å; I368-M384 HydrophobicContact CG2-CG 4.48Å; I368-M384 HydrophobicContact CG2-SD 4.43Å; I368-E385 HydrophobicContact CG2-CB 4.35Å; I368-A387 HydrophobicContact CD1-CB 4.3Å; I368-L443 HydrophobicContact CD1-CB 4.06Å; I368-L443 HydrophobicContact CD1-CD1 3.71Å; I368-L443 HydrophobicContact CD1-CG 4.42Å; I368-L443 HydrophobicContact CG1-CD1 3.92Å; I368-K451 HydrophobicContact CD1-CB 3.62Å; I368-K451 HydrophobicContact CD1-CD 3.87Å; I368-K451 HydrophobicContact CD1-CG 4.38Å; I368-K451 HydrophobicContact CG1-CB 3.81Å; I368-I452 PolarHBondContact N-O 2.9Å; I368-A453 HydrophobicContact CB-CB 4.42Å; I368-A453 HydrophobicContact CG1-CB 3.61Å
369	E	94.8	Very high	93.7	Very high	72 Å²	72	35.9 Å²	35.9	34%	0.336	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-75.2	135.3	-175.3	-170.7	164.7	-160.3	0	0	111.9	R363 I367 Y371 M384 E385	R363-E369 IonicContact CZ-OE1 3.9Å; R363-E369 IonicContact NH1-OE1 2.6Å; R363-E369 PolarHBondContact NH1-OE1 3.43Å; I367-E369 PolarHBondContact O-N 3.21Å; E369-Y371 HydrophobicContact CB-CD1 4.49Å; E369-Y371 HydrophobicContact CB-CE1 3.95Å; E369-Y371 HydrophobicContact CG-CD1 3.97Å; E369-Y371 HydrophobicContact CG-CE1 3.66Å; E369-M384 CarbonylContact O-C 3.59Å; E369-M384 VanDerWaalsContact O-CA 3.28Å; E369-M384 WeakPolarHBondContact O-CA 3.35Å; E369-E385 HydrophobicContact CB-CB 4.08Å; E369-E385 PolarHBondContact N-OE2 2.87Å; E369-E385 PolarHBondContact O-N 2.92Å
370	F	94.3	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128	170	173.9	-95.7	0	0	0	110.1	Y294 V356 M359 K360 R363 G372 V373 L382	Y294-F370 HydrophobicContact CD1-CD1 4.24Å; Y294-F370 AromaticContact CD1-CE1 3.55Å; Y294-F370 HydrophobicContact CD1-CE1 3.55Å; Y294-F370 HydrophobicContact CD2-CE1 4.16Å; Y294-F370 HydrophobicContact CE1-CD1 4.42Å; Y294-F370 HydrophobicContact CE1-CE1 4.11Å; Y294-F370 AromaticContact CG-CE1 3.56Å; Y294-F370 HydrophobicContact CG-CE1 3.56Å; Y294-F370 HydrophobicContact CG-CZ 4.23Å; V356-F370 HydrophobicContact CG1-CE2 4.34Å; M359-F370 HydrophobicContact CB-CB 4.2Å; M359-F370 HydrophobicContact CB-CD2 4.05Å; M359-F370 HydrophobicContact CB-CG 4.37Å; M359-F370 HydrophobicContact CE-CB 4.36Å; K360-F370 HydrophobicContact CG-CD1 4.13Å; K360-F370 HydrophobicContact CG-CE1 3.61Å; K360-F370 HydrophobicContact CG-CE2 4.3Å; K360-F370 HydrophobicContact CG-CZ 3.71Å; R363-F370 PolarHBondContact NH2-O 3.17Å; F370-G372 WeakPolarHBondContact CE2-O 3.36Å; F370-G372 VanDerWaalsContact CZ-C 3.43Å; F370-V373 HydrophobicContact CZ-CB 4.38Å; F370-L382 HydrophobicContact CD2-CD1 3.45Å; F370-L382 VanDerWaalsContact CD2-CD1 3.45Å; F370-L382 HydrophobicContact CE2-CD1 3.46Å; F370-L382 VanDerWaalsContact CE2-CD1 3.46Å
371	Y	93.9	Very high	93.8	Very high	49 Å²	49	34.2 Å²	34.2	19%	0.192	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-35.2	179.3	-66.9	-26.5	0	0	0	113.5	L323 I333 V335 E369 I383 E385	L323-Y371 HydrophobicContact CD1-CD2 3.79Å; L323-Y371 HydrophobicContact CD1-CE2 4.36Å; L323-Y371 HydrophobicContact CD1-CG 3.97Å; I333-Y371 HydrophobicContact CG2-CE2 4.17Å; V335-Y371 HydrophobicContact CG1-CD2 3.69Å; V335-Y371 HydrophobicContact CG1-CE2 4.01Å; E369-Y371 HydrophobicContact CB-CD1 4.49Å; E369-Y371 HydrophobicContact CB-CE1 3.95Å; E369-Y371 HydrophobicContact CG-CD1 3.97Å; E369-Y371 HydrophobicContact CG-CE1 3.66Å; Y371-I383 HydrophobicContact CD2-CG2 4.45Å; Y371-I383 PolarHBondContact N-O 3.44Å; Y371-E385 VanDerWaalsContact CE2-CA 3.48Å; Y371-E385 HydrophobicContact CE2-CB 4.19Å
372	G	94.3	Very high	94	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	179.2	-179.7	0	0	0	0	0	113.3	Y294 F370 I383	Y294-G372 WeakPolarHBondContact O-CA 3.38Å; F370-G372 WeakPolarHBondContact CE2-O 3.36Å; F370-G372 VanDerWaalsContact CZ-C 3.43Å; G372-I383 PolarHBondContact N-O 2.88Å; G372-I383 WeakPolarHBondContact O-CB 3.45Å; G372-I383 PolarHBondContact O-N 3.29Å
373	V	94.7	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.8	176.8	63.3	0	0	0	0	109.8	D291 Y294 E295 F296 V356 F370 T375 L381	D291-V373 HydrophobicContact CB-CG1 3.59Å; Y294-V373 PolarHBondContact O-N 3.36Å; E295-V373 CarbonylContact C-O 3.57Å; E295-V373 WeakPolarHBondContact CA-O 3.4Å; F296-V373 PolarHBondContact N-O 3.45Å; V356-V373 HydrophobicContact CG1-CB 4.22Å; V356-V373 HydrophobicContact CG1-CG1 4.49Å; V356-V373 HydrophobicContact CG1-CG2 4.15Å; V356-V373 HydrophobicContact CG2-CG2 4.31Å; F370-V373 HydrophobicContact CZ-CB 4.38Å; V373-T375 HydrophobicContact CG1-CG2 4.08Å; V373-T375 HydrophobicContact CG2-CG2 3.7Å; V373-L381 CarbonylContact C-O 3.57Å; V373-L381 WeakPolarHBondContact CA-O 3.46Å; V373-L381 WeakPolarHBondContact CG2-O 3.47Å
374	C	94.3	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.2	162.8	-53.6	0	0	0	0	107.5	E295 F296 P380 L381	E295-C374 WeakPolarHBondContact OE1-CA 3.09Å; F296-C374 PolarHBondContact O-SG 3.32Å; C374-P380 CarbonylContact O-C 3.38Å; C374-P380 VanDerWaalsContact O-CA 3.22Å; C374-P380 WeakPolarHBondContact O-CA 3.49Å; C374-L381 HydrophobicContact CB-CB 3.92Å; C374-L381 HydrophobicContact CB-CD1 4.28Å; C374-L381 HydrophobicContact CB-CG 4.21Å; C374-L381 PolarHBondContact N-O 2.87Å; C374-L381 PolarHBondContact O-N 2.86Å
375	T	90.1	Very high	94	Very high	10 Å²	10	24 Å²	24	6%	0.061	11%	0.114	C	C	.	.			trans	-109.4	-18	172.7	71.9	0	0	0	0	112.4	K289 K290 D291 E295 V373	K289-T375 PolarHBondContact O-OG1 3.27Å; K290-T375 VanDerWaalsContact CA-OG1 3.3Å; K290-T375 WeakPolarHBondContact CA-OG1 3.5Å; D291-T375 PolarHBondContact N-OG1 3.2Å; E295-T375 PolarHBondContact OE1-N 2.99Å; E295-T375 PolarHBondContact OE2-N 2.51Å; E295-T375 PolarHBondContact OE2-OG1 3.26Å; V373-T375 HydrophobicContact CG1-CG2 4.08Å; V373-T375 HydrophobicContact CG2-CG2 3.7Å
376	E	88.6	Confident	93.9	Very high	80 Å²	80	21 Å²	21	37%	0.374	10%	0.1	S	C	.	.	S	Bend	trans	-87.9	156.8	176.5	-63.3	-170.9	143.9	0	0	113.2	K290 E295 G378	K290-E376 HydrophobicContact CB-CG 3.99Å; K290-E376 WeakPolarHBondContact CB-OE1 3.41Å; K290-E376 WeakPolarHBondContact CD-OE1 3.28Å; K290-E376 HydrophobicContact CG-CG 4.06Å; E295-E376 PolarHBondContact OE1-N 2.72Å; E295-E376 VanDerWaalsContact OE1-N 3.12Å; E376-G378 VanDerWaalsContact C-N 3.25Å; E376-G378 PolarHBondContact O-N 2.87Å; E376-G378 VanDerWaalsContact O-N 3.17Å
377	N	88.2	Confident	93.7	Very high	124 Å²	124	20.9 Å²	20.9	66%	0.663	10%	0.101	S	C	*	.	S	Bend	trans	58	28.4	168.3	-52.5	-58.2	0	0	0	115.2
378	G	90.3	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	160.9	-168.9	174.2	0	0	0	0	0	113.8	D279 F282 E376	D279-G378 WeakPolarHBondContact OD1-CA 3.47Å; F282-G378 WeakPolarHBondContact CD1-O 3.24Å; E376-G378 VanDerWaalsContact C-N 3.25Å; E376-G378 PolarHBondContact O-N 2.87Å; E376-G378 VanDerWaalsContact O-N 3.17Å
379	S	91.3	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-61.8	141.3	170.8	-172.5	0	0	0	0	110.4	D279 R298 L381	D279-S379 WeakPolarHBondContact OD1-CB 3.46Å; D279-S379 PolarHBondContact OD1-N 2.68Å; R298-S379 PolarHBondContact NH2-O 2.98Å; S379-L381 PolarHBondContact O-N 2.95Å
380	P	91.9	Very high	93.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.			trans	-62.7	139.5	-174.6	26.4	-36.5	0	0	0	111.9	F282 L288 T339 L340 F352 C374	F282-P380 HydrophobicContact CE2-CG 4.29Å; F282-P380 VanDerWaalsContact CZ-CD 3.47Å; F282-P380 HydrophobicContact CZ-CG 4.23Å; L288-P380 HydrophobicContact CD1-CB 3.86Å; L288-P380 HydrophobicContact CD1-CG 4.01Å; T339-P380 PolarHBondContact OG1-O 3.15Å; T339-P380 VanDerWaalsContact OG1-O 3.04Å; L340-P380 HydrophobicContact CD1-CG 4.02Å; L340-P380 HydrophobicContact CG-CG 4.39Å; F352-P380 HydrophobicContact CD1-CB 4.07Å; F352-P380 HydrophobicContact CD1-CG 3.95Å; F352-P380 HydrophobicContact CE1-CB 3.66Å; F352-P380 HydrophobicContact CE1-CG 3.96Å; F352-P380 HydrophobicContact CZ-CB 4.4Å; C374-P380 CarbonylContact O-C 3.38Å; C374-P380 VanDerWaalsContact O-CA 3.22Å; C374-P380 WeakPolarHBondContact O-CA 3.49Å
381	L	95.9	Very high	93.2	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.8	177.1	-55.4	-178	0	0	0	109.6	R298 L301 V337 T339 V373 C374 S379	R298-L381 HydrophobicContact CG-CD1 4.43Å; L301-L381 HydrophobicContact CD2-CD1 3.66Å; V337-L381 HydrophobicContact CG1-CB 3.83Å; V337-L381 HydrophobicContact CG1-CD1 4.31Å; V337-L381 HydrophobicContact CG1-CD2 4.17Å; V337-L381 HydrophobicContact CG1-CG 4.34Å; T339-L381 HydrophobicContact CG2-CD2 4.37Å; T339-L381 WeakPolarHBondContact OG1-CD2 3.47Å; V373-L381 CarbonylContact C-O 3.57Å; V373-L381 WeakPolarHBondContact CA-O 3.46Å; V373-L381 WeakPolarHBondContact CG2-O 3.47Å; C374-L381 HydrophobicContact CB-CB 3.92Å; C374-L381 HydrophobicContact CB-CD1 4.28Å; C374-L381 HydrophobicContact CB-CG 4.21Å; C374-L381 PolarHBondContact N-O 2.87Å; C374-L381 PolarHBondContact O-N 2.86Å; S379-L381 PolarHBondContact O-N 2.95Å
382	L	95.4	Very high	93.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.9	175.2	161.9	58.9	0	0	0	108.4	V337 K338 F352 E355 V356 M359 F370 M384	V337-L382 CarbonylContact C-O 3.6Å; V337-L382 VanDerWaalsContact CA-O 3.3Å; V337-L382 WeakPolarHBondContact CA-O 3.28Å; K338-L382 HydrophobicContact CB-CB 4.22Å; K338-L382 HydrophobicContact CB-CD2 4.39Å; K338-L382 HydrophobicContact CB-CG 4.44Å; K338-L382 HydrophobicContact CD-CD2 4.27Å; K338-L382 PolarHBondContact N-O 2.97Å; K338-L382 PolarHBondContact O-N 2.81Å; F352-L382 HydrophobicContact CE1-CB 4.14Å; F352-L382 HydrophobicContact CE2-CB 4.22Å; F352-L382 HydrophobicContact CZ-CB 3.52Å; E355-L382 HydrophobicContact CG-CD2 4.32Å; V356-L382 HydrophobicContact CG2-CB 4.14Å; V356-L382 HydrophobicContact CG2-CD1 4.25Å; V356-L382 HydrophobicContact CG2-CD2 4.33Å; V356-L382 HydrophobicContact CG2-CG 4.47Å; M359-L382 HydrophobicContact SD-CD1 4.22Å; M359-L382 HydrophobicContact SD-CD2 3.79Å; F370-L382 HydrophobicContact CD2-CD1 3.45Å; F370-L382 VanDerWaalsContact CD2-CD1 3.45Å; F370-L382 HydrophobicContact CE2-CD1 3.46Å; F370-L382 VanDerWaalsContact CE2-CD1 3.46Å; L382-M384 HydrophobicContact CD1-CG 3.81Å; L382-M384 HydrophobicContact CD1-SD 4.29Å; L382-M384 HydrophobicContact CD2-CE 4.37Å; L382-M384 HydrophobicContact CD2-CG 4.42Å; L382-M384 HydrophobicContact CD2-SD 3.81Å; L382-M384 HydrophobicContact CG-CE 4.18Å; L382-M384 HydrophobicContact CG-CG 3.8Å; L382-M384 HydrophobicContact CG-SD 3.8Å
383	I	95.8	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.1	-176.1	-50.7	174.4	0	0	0	109.2	F296 L301 L323 V335 Y371 G372	F296-I383 HydrophobicContact CB-CD1 3.65Å; F296-I383 HydrophobicContact CD1-CD1 3.27Å; F296-I383 HydrophobicContact CD2-CD1 4.46Å; F296-I383 HydrophobicContact CE1-CD1 4Å; F296-I383 HydrophobicContact CG-CD1 3.52Å; L301-I383 HydrophobicContact CD1-CD1 4.36Å; L301-I383 HydrophobicContact CD2-CD1 4.16Å; L301-I383 HydrophobicContact CD2-CG1 4.37Å; L323-I383 HydrophobicContact CD2-CG2 4.46Å; V335-I383 HydrophobicContact CB-CG2 3.78Å; V335-I383 HydrophobicContact CG1-CG2 3.81Å; V335-I383 HydrophobicContact CG2-CG2 4.01Å; Y371-I383 HydrophobicContact CD2-CG2 4.45Å; Y371-I383 PolarHBondContact N-O 3.44Å; G372-I383 PolarHBondContact N-O 2.88Å; G372-I383 WeakPolarHBondContact O-CB 3.45Å; G372-I383 PolarHBondContact O-N 3.29Å
384	M	95.8	Very high	93.4	Very high	20 Å²	20	29.3 Å²	29.3	10%	0.099	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	166.8	-172.4	-56.7	171.2	-69.6	0	0	111.3	V335 A336 K338 M359 I368 E369 L382 Y386	V335-M384 WeakPolarHBondContact CA-O 3.49Å; A336-M384 PolarHBondContact N-O 3.02Å; A336-M384 PolarHBondContact O-N 2.91Å; K338-M384 HydrophobicContact CB-CE 3.73Å; M359-M384 HydrophobicContact CE-CG 3.75Å; M359-M384 HydrophobicContact CE-SD 3.58Å; M359-M384 VanDerWaalsContact CE-SD 3.58Å; M359-M384 HydrophobicContact SD-CG 4.42Å; M359-M384 HydrophobicContact SD-SD 3.78Å; I368-M384 HydrophobicContact CG2-CB 3.89Å; I368-M384 HydrophobicContact CG2-CG 4.48Å; I368-M384 HydrophobicContact CG2-SD 4.43Å; E369-M384 CarbonylContact O-C 3.59Å; E369-M384 VanDerWaalsContact O-CA 3.28Å; E369-M384 WeakPolarHBondContact O-CA 3.35Å; L382-M384 HydrophobicContact CD1-CG 3.81Å; L382-M384 HydrophobicContact CD1-SD 4.29Å; L382-M384 HydrophobicContact CD2-CE 4.37Å; L382-M384 HydrophobicContact CD2-CG 4.42Å; L382-M384 HydrophobicContact CD2-SD 3.81Å; L382-M384 HydrophobicContact CG-CE 4.18Å; L382-M384 HydrophobicContact CG-CG 3.8Å; L382-M384 HydrophobicContact CG-SD 3.8Å; M384-Y386 PolarHBondContact O-N 2.98Å
385	E	94.5	Very high	93.4	Very high	22 Å²	22	30.2 Å²	30.2	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	129.9	169.6	-178.8	-177.7	177.1	0	0	112.1	I368 E369 Y371 K451	I368-E385 HydrophobicContact CG2-CB 4.35Å; E369-E385 HydrophobicContact CB-CB 4.08Å; E369-E385 PolarHBondContact N-OE2 2.87Å; E369-E385 PolarHBondContact O-N 2.92Å; Y371-E385 VanDerWaalsContact CE2-CA 3.48Å; Y371-E385 HydrophobicContact CE2-CB 4.19Å; E385-K451 VanDerWaalsContact CD-CD 3.49Å; E385-K451 VanDerWaalsContact CD-CE 3.42Å; E385-K451 VanDerWaalsContact OE1-CD 3.32Å; E385-K451 WeakPolarHBondContact OE1-CD 3.12Å; E385-K451 WeakPolarHBondContact OE1-CE 3.42Å; E385-K451 IonicContact OE1-NZ 3.03Å; E385-K451 PolarHBondContact OE1-NZ 2.96Å; E385-K451 WeakPolarHBondContact OE2-CD 3.29Å; E385-K451 WeakPolarHBondContact OE2-CE 3.36Å; E385-K451 IonicContact OE2-NZ 3.77Å; E385-K451 PolarHBondContact OE2-NZ 3.41Å
386	Y	94.9	Very high	93.5	Very high	43 Å²	43	29.7 Å²	29.7	17%	0.169	15%	0.151	C	C	.	.			trans	-82.4	120.7	169	177.7	-118.4	0	0	0	111.2	L307 R317 D334 M384 P388	L307-Y386 HydrophobicContact CD1-CD2 3.8Å; L307-Y386 HydrophobicContact CD1-CE2 3.66Å; L307-Y386 HydrophobicContact CD2-CE2 3.92Å; L307-Y386 HydrophobicContact CG-CE2 4.45Å; R317-Y386 HydrophobicContact CG-CD2 4.33Å; R317-Y386 HydrophobicContact CG-CE2 4.24Å; D334-Y386 HydrophobicContact CB-CD1 4.06Å; M384-Y386 PolarHBondContact O-N 2.98Å; Y386-P388 HydrophobicContact CD1-CB 4.43Å; Y386-P388 HydrophobicContact CE1-CB 3.9Å; Y386-P388 WeakPolarHBondContact O-CD 3.43Å
387	A	94.7	Very high	93.8	Very high	7 Å²	7	31.3 Å²	31.3	6%	0.058	15%	0.154	C	C	.	.			trans	-95.1	104.9	174.1	0	0	0	0	0	110.9	I368 Y389 G390 L443	I368-A387 HydrophobicContact CD1-CB 4.3Å; A387-Y389 VanDerWaalsContact C-N 3.28Å; A387-Y389 PolarHBondContact O-N 3.13Å; A387-G390 PolarHBondContact O-N 2.85Å; A387-L443 HydrophobicContact CB-CB 3.56Å; A387-L443 HydrophobicContact CB-CD1 3.98Å; A387-L443 HydrophobicContact CB-CG 4.28Å
388	P	92.3	Very high	93.8	Very high	51 Å²	51	33.3 Å²	33.3	33%	0.331	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.4	-165.8	26.6	-35.7	0	0	0	114.9	Y386 K446	Y386-P388 HydrophobicContact CD1-CB 4.43Å; Y386-P388 HydrophobicContact CE1-CB 3.9Å; Y386-P388 WeakPolarHBondContact O-CD 3.43Å; P388-K446 HydrophobicContact CG-CG 4.25Å
389	Y	92	Very high	93.5	Very high	86 Å²	86	36.1 Å²	36.1	34%	0.337	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.8	-177.5	-54.1	-72.8	0	0	0	113.1	A387 V444 G445 Y448	A387-Y389 VanDerWaalsContact C-N 3.28Å; A387-Y389 PolarHBondContact O-N 3.13Å; Y389-V444 WeakPolarHBondContact CB-O 3.32Å; Y389-V444 HydrophobicContact CD2-CG1 3.93Å; Y389-V444 WeakPolarHBondContact CD2-O 3.48Å; Y389-V444 HydrophobicContact CG-CG1 4.19Å; Y389-V444 PolarHBondContact N-O 3.4Å; Y389-G445 VanDerWaalsContact CD2-O 3.22Å; Y389-G445 WeakPolarHBondContact CD2-O 3.36Å; Y389-G445 VanDerWaalsContact CE2-O 3.31Å; Y389-G445 WeakPolarHBondContact CE2-O 3.42Å; Y389-Y448 HydrophobicContact CD1-CE1 4.47Å; Y389-Y448 HydrophobicContact CD2-CD1 4.29Å; Y389-Y448 HydrophobicContact CD2-CE1 4.44Å; Y389-Y448 HydrophobicContact CE1-CE1 4.06Å; Y389-Y448 HydrophobicContact CE2-CD1 4.07Å; Y389-Y448 HydrophobicContact CE2-CE1 4.01Å; Y389-Y448 AromaticContact CZ-CE1 3.8Å
390	G	93.1	Very high	93.2	Very high	26 Å²	26	40.1 Å²	40.1	27%	0.268	18%	0.18	S	C	.	.			trans	70.9	-157.3	178.2	0	0	0	0	0	113.1	A387 L443 V444	A387-G390 PolarHBondContact O-N 2.85Å; G390-L443 WeakPolarHBondContact O-CA 3.35Å; G390-V444 PolarHBondContact O-N 3.13Å
391	N	95.6	Very high	92.7	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-77.8	149.4	-178.5	70.9	77.1	0	0	0	113.1	K393 E394 Y395 R440 I442 L443	N391-K393 VanDerWaalsContact C-N 3.31Å; N391-K393 PolarHBondContact O-N 3.39Å; N391-K393 WeakPolarHBondContact OD1-CB 3.43Å; N391-K393 PolarHBondContact OD1-N 3.25Å; N391-E394 PolarHBondContact O-N 2.72Å; N391-E394 PolarHBondContact OD1-N 3.42Å; N391-Y395 WeakPolarHBondContact O-CB 3.23Å; N391-Y395 PolarHBondContact O-N 3.46Å; N391-R440 VanDerWaalsContact CB-O 3.23Å; N391-R440 WeakPolarHBondContact CB-O 3.33Å; N391-I442 CarbonylContact C-O 3.58Å; N391-I442 VanDerWaalsContact CA-O 3.25Å; N391-I442 WeakPolarHBondContact CA-O 3.26Å; N391-L443 HydrophobicContact CB-CD2 4.08Å
392	L	96.8	Very high	92	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-38.4	-175.1	179	63.2	0	0	0	112.1	Y395 L396 F416 A439 I442 V444 L450 I504	L392-Y395 HydrophobicContact CD1-CD1 4.27Å; L392-Y395 PolarHBondContact O-N 3.48Å; L392-L396 HydrophobicContact CD1-CD1 4.1Å; L392-L396 HydrophobicContact CD1-CD2 4.39Å; L392-L396 HydrophobicContact CD1-CG 3.93Å; L392-L396 HydrophobicContact CG-CD1 3.9Å; L392-L396 HydrophobicContact CG-CG 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 VanDerWaalsContact O-CG 3.25Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.17Å; L392-F416 HydrophobicContact CD1-CD2 3.96Å; L392-F416 HydrophobicContact CD1-CE2 4.02Å; L392-A439 WeakPolarHBondContact CB-O 3.45Å; L392-A439 PolarHBondContact N-O 3.14Å; L392-I442 HydrophobicContact CB-CB 3.93Å; L392-I442 HydrophobicContact CB-CG2 4.16Å; L392-I442 HydrophobicContact CD2-CB 4.12Å; L392-I442 HydrophobicContact CD2-CG2 4.05Å; L392-I442 PolarHBondContact N-O 2.96Å; L392-V444 HydrophobicContact CB-CG2 4.23Å; L392-V444 HydrophobicContact CD1-CG2 4.04Å; L392-L450 HydrophobicContact CD1-CD1 4.26Å; L392-L450 HydrophobicContact CD1-CD2 3.98Å; L392-L450 HydrophobicContact CD2-CD1 3.89Å; L392-I504 HydrophobicContact CD2-CD1 4.13Å; L392-I504 HydrophobicContact CD2-CG1 3.96Å
393	K	96.1	Very high	91.4	Very high	34 Å²	34	54.6 Å²	54.6	15%	0.148	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-51.8	178.4	-178.2	172.5	-177.3	164	0	112	N391 R397 A439 E503	N391-K393 VanDerWaalsContact C-N 3.31Å; N391-K393 PolarHBondContact O-N 3.39Å; N391-K393 WeakPolarHBondContact OD1-CB 3.43Å; N391-K393 PolarHBondContact OD1-N 3.25Å; K393-R397 VanDerWaalsContact O-CG 3.28Å; K393-R397 WeakPolarHBondContact O-CG 3.21Å; K393-R397 PolarHBondContact O-N 2.68Å; K393-R397 VanDerWaalsContact O-N 3.1Å; K393-A439 HydrophobicContact CB-CB 3.96Å; K393-A439 PolarHBondContact N-O 3.21Å; K393-A439 VanDerWaalsContact N-O 3.08Å; K393-E503 IonicContact NZ-OE1 3.91Å
394	E	93.6	Very high	90.7	Very high	66 Å²	66	59.9 Å²	59.9	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-68.8	-36.5	177.9	-69.1	-53.4	130.1	0	0	111.8	N391 R397 R398	N391-E394 PolarHBondContact O-N 2.72Å; N391-E394 PolarHBondContact OD1-N 3.42Å; E394-R397 PolarHBondContact O-N 3.32Å; E394-R398 WeakPolarHBondContact O-CB 3.37Å; E394-R398 VanDerWaalsContact O-CG 3.22Å; E394-R398 WeakPolarHBondContact O-CG 3.43Å; E394-R398 PolarHBondContact O-N 3.4Å
395	Y	93.6	Very high	90	Very high	18 Å²	18	65.8 Å²	65.8	7%	0.071	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-48.6	174.5	178.8	-105.3	0	0	0	112.2	N391 L392 R397 H399 W403 F416 V444 Y448	N391-Y395 WeakPolarHBondContact O-CB 3.23Å; N391-Y395 PolarHBondContact O-N 3.46Å; L392-Y395 HydrophobicContact CD1-CD1 4.27Å; L392-Y395 PolarHBondContact O-N 3.48Å; Y395-R397 PolarHBondContact O-N 3.22Å; Y395-H399 AromaticContact CD2-CE1 3.55Å; Y395-H399 AromaticContact CD2-ND1 3.6Å; Y395-H399 AromaticContact CE2-CE1 3.47Å; Y395-H399 VanDerWaalsContact CE2-CE1 3.47Å; Y395-H399 WeakPolarHBondContact CE2-CE1 3.45Å; Y395-H399 AromaticContact CE2-ND1 3.67Å; Y395-H399 PolarHBondContact O-N 2.8Å; Y395-H399 PolarHBondContact O-ND1 2.9Å; Y395-W403 HydrophobicContact CD1-CZ2 4.45Å; Y395-W403 HydrophobicContact CE1-CH2 4.42Å; Y395-W403 AromaticContact CE1-CZ2 3.62Å; Y395-W403 HydrophobicContact CE1-CZ2 3.62Å; Y395-F416 HydrophobicContact CE1-CE2 4.36Å; Y395-F416 HydrophobicContact CE1-CZ 4.12Å; Y395-V444 HydrophobicContact CD1-CG1 4.48Å; Y395-V444 HydrophobicContact CD1-CG2 3.95Å; Y395-V444 HydrophobicContact CE1-CG1 4.4Å; Y395-V444 HydrophobicContact CG-CG2 3.97Å; Y395-Y448 WeakPolarHBondContact OH-CD1 2.98Å
396	L	93.9	Very high	89.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-45.7	176.2	-70.7	169.4	0	0	0	111.5	L392 H399 R400 L413 F416 I504 L507	L392-L396 HydrophobicContact CD1-CD1 4.1Å; L392-L396 HydrophobicContact CD1-CD2 4.39Å; L392-L396 HydrophobicContact CD1-CG 3.93Å; L392-L396 HydrophobicContact CG-CD1 3.9Å; L392-L396 HydrophobicContact CG-CG 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 VanDerWaalsContact O-CG 3.25Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.17Å; L396-H399 PolarHBondContact O-N 3.09Å; L396-R400 WeakPolarHBondContact O-CG 3.35Å; L396-R400 PolarHBondContact O-N 3.19Å; L396-R400 VanDerWaalsContact O-N 3.14Å; L396-L413 HydrophobicContact CD2-CD2 4.22Å; L396-F416 HydrophobicContact CD2-CD2 4.3Å; L396-F416 HydrophobicContact CD2-CE2 4.05Å; L396-I504 HydrophobicContact CD1-CG1 4.44Å; L396-L507 HydrophobicContact CD2-CD2 4.34Å
397	R	93.1	Very high	88.6	Confident	114 Å²	114	70.5 Å²	70.5	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-46.4	-179.9	-73	173.1	71.9	100.4	-1.1	112.6	K393 E394 Y395 H399 R400 G508	K393-R397 VanDerWaalsContact O-CG 3.28Å; K393-R397 WeakPolarHBondContact O-CG 3.21Å; K393-R397 PolarHBondContact O-N 2.68Å; K393-R397 VanDerWaalsContact O-N 3.1Å; E394-R397 PolarHBondContact O-N 3.32Å; Y395-R397 PolarHBondContact O-N 3.22Å; R397-H399 VanDerWaalsContact C-N 3.27Å; R397-H399 PolarHBondContact O-N 3.38Å; R397-R400 WeakPolarHBondContact O-CG 3.49Å; R397-R400 PolarHBondContact O-N 3.17Å; R397-G508 PolarHBondContact NH1-O 2.97Å
398	R	89.1	Confident	88	Confident	166 Å²	166	75.4 Å²	75.4	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-63.1	-34.3	-179.9	-72.8	171.8	-167.1	147	1.4	112.3	E394	E394-R398 WeakPolarHBondContact O-CB 3.37Å; E394-R398 VanDerWaalsContact O-CG 3.22Å; E394-R398 WeakPolarHBondContact O-CG 3.43Å; E394-R398 PolarHBondContact O-N 3.4Å
399	H	84.4	Confident	87.8	Confident	59 Å²	59	73.8 Å²	73.8	27%	0.273	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	9.8	-175.4	-61.6	87.6	0	0	0	113.7	Y395 L396 R397 K401 I402 W403	Y395-H399 AromaticContact CD2-CE1 3.55Å; Y395-H399 AromaticContact CD2-ND1 3.6Å; Y395-H399 AromaticContact CE2-CE1 3.47Å; Y395-H399 VanDerWaalsContact CE2-CE1 3.47Å; Y395-H399 WeakPolarHBondContact CE2-CE1 3.45Å; Y395-H399 AromaticContact CE2-ND1 3.67Å; Y395-H399 PolarHBondContact O-N 2.8Å; Y395-H399 PolarHBondContact O-ND1 2.9Å; L396-H399 PolarHBondContact O-N 3.09Å; R397-H399 VanDerWaalsContact C-N 3.27Å; R397-H399 PolarHBondContact O-N 3.38Å; H399-K401 VanDerWaalsContact C-N 3.28Å; H399-K401 PolarHBondContact O-N 3.13Å; H399-K401 VanDerWaalsContact O-N 3.12Å; H399-I402 WeakPolarHBondContact O-CA 3.43Å; H399-I402 WeakPolarHBondContact O-CB 3.38Å; H399-I402 PolarHBondContact O-N 3.21Å; H399-W403 VanDerWaalsContact CB-NE1 3.34Å; H399-W403 PolarHBondContact O-N 3.37Å
400	R	84.7	Confident	87.6	Confident	83 Å²	83	71.5 Å²	71.5	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-46.7	-46	-178.2	-81.6	177.4	178	-159.3	-7	114.1	L396 R397 I402 W403 L404 L507 S509	L396-R400 WeakPolarHBondContact O-CG 3.35Å; L396-R400 PolarHBondContact O-N 3.19Å; L396-R400 VanDerWaalsContact O-N 3.14Å; R397-R400 WeakPolarHBondContact O-CG 3.49Å; R397-R400 PolarHBondContact O-N 3.17Å; R400-I402 VanDerWaalsContact C-N 3.31Å; R400-I402 PolarHBondContact O-N 2.87Å; R400-W403 PolarHBondContact O-N 3.18Å; R400-L404 WeakPolarHBondContact O-CG 3.42Å; R400-L404 PolarHBondContact O-N 2.83Å; R400-L404 VanDerWaalsContact O-N 3.07Å; R400-L507 HydrophobicContact CG-CB 3.9Å; R400-L507 HydrophobicContact CG-CD1 4.21Å; R400-L507 VanDerWaalsContact CZ-O 3.32Å; R400-L507 PolarHBondContact NE-O 2.67Å; R400-L507 PolarHBondContact NH2-O 3.46Å; R400-S509 PolarHBondContact NH2-OG 3.04Å
401	K	81.7	Confident	87.5	Confident	179 Å²	179	71.7 Å²	71.7	78%	0.778	34%	0.342	S	S	*	.	H	α-helix	trans	-65.2	-34.5	179.9	-65.7	-175.6	179.6	-178.2	0	112.8	H399 N405	H399-K401 VanDerWaalsContact C-N 3.28Å; H399-K401 PolarHBondContact O-N 3.13Å; H399-K401 VanDerWaalsContact O-N 3.12Å; K401-N405 PolarHBondContact O-ND2 3.02Å
402	I	81	Confident	87.4	Confident	112 Å²	112	74 Å²	74	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-74.4	-44.2	177.9	-64.6	163.3	0	0	0	109.2	H399 R400 L404 N405 C406	H399-I402 WeakPolarHBondContact O-CA 3.43Å; H399-I402 WeakPolarHBondContact O-CB 3.38Å; H399-I402 PolarHBondContact O-N 3.21Å; R400-I402 VanDerWaalsContact C-N 3.31Å; R400-I402 PolarHBondContact O-N 2.87Å; I402-L404 PolarHBondContact O-N 2.92Å; I402-N405 CarbonylContact O-C 3.59Å; I402-N405 PolarHBondContact O-N 2.83Å; I402-C406 WeakPolarHBondContact O-CB 3.46Å; I402-C406 PolarHBondContact O-N 3.45Å
403	W	82.5	Confident	87.3	Confident	17 Å²	17	74 Å²	74	6%	0.064	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-46	178.2	-70.2	127	0	0	0	112.7	Y395 H399 R400 N405 C406 L409 K412 F416 L507	Y395-W403 HydrophobicContact CD1-CZ2 4.45Å; Y395-W403 HydrophobicContact CE1-CH2 4.42Å; Y395-W403 AromaticContact CE1-CZ2 3.62Å; Y395-W403 HydrophobicContact CE1-CZ2 3.62Å; H399-W403 VanDerWaalsContact CB-NE1 3.34Å; H399-W403 PolarHBondContact O-N 3.37Å; R400-W403 PolarHBondContact O-N 3.18Å; W403-N405 PolarHBondContact O-N 3.46Å; W403-C406 HydrophobicContact CE3-CB 4.47Å; W403-C406 WeakPolarHBondContact O-CB 3.47Å; W403-C406 PolarHBondContact O-N 3.26Å; W403-L409 HydrophobicContact CB-CD1 3.76Å; W403-L409 HydrophobicContact CD2-CD1 4.08Å; W403-L409 HydrophobicContact CE3-CD1 3.55Å; W403-L409 HydrophobicContact CG-CD1 4.21Å; W403-L409 HydrophobicContact CZ3-CD1 4.46Å; W403-L409 WeakPolarHBondContact O-CD2 3.44Å; W403-K412 HydrophobicContact CZ3-CB 4.22Å; W403-K412 HydrophobicContact CZ3-CD 3.8Å; W403-F416 HydrophobicContact CH2-CE2 4.13Å; W403-F416 AromaticContact CH2-CZ 3.95Å; W403-F416 HydrophobicContact CH2-CZ 3.95Å; W403-F416 HydrophobicContact CZ2-CE2 4.11Å; W403-F416 HydrophobicContact CZ2-CZ 4.21Å; W403-L507 HydrophobicContact CB-CD1 4.02Å; W403-L507 HydrophobicContact CB-CD2 4.22Å; W403-L507 HydrophobicContact CG-CD2 4.28Å
404	L	81.2	Confident	87.3	Confident	111 Å²	111	72.4 Å²	72.4	58%	0.581	34%	0.343	S	S	*	.	H	α-helix	trans	-65.1	-21	-178.6	-68.6	171.5	0	0	0	113.9	R400 I402 L507	R400-L404 WeakPolarHBondContact O-CG 3.42Å; R400-L404 PolarHBondContact O-N 2.83Å; R400-L404 VanDerWaalsContact O-N 3.07Å; I402-L404 PolarHBondContact O-N 2.92Å; L404-L507 HydrophobicContact CD2-CD1 4.23Å; L404-L507 HydrophobicContact CG-CD1 4.33Å
405	N	81.8	Confident	87.4	Confident	143 Å²	143	72.5 Å²	72.5	77%	0.765	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	9.7	176	-63	-22.8	0	0	0	112.2	K401 I402 W403	K401-N405 PolarHBondContact O-ND2 3.02Å; I402-N405 CarbonylContact O-C 3.59Å; I402-N405 PolarHBondContact O-N 2.83Å; W403-N405 PolarHBondContact O-N 3.46Å
406	C	79.4	Confident	87.6	Confident	29 Å²	29	72.2 Å²	72.2	20%	0.196	35%	0.345	C	S	.	.			trans	-90.8	125.2	-173.4	-176.1	0	0	0	0	110.7	I402 W403 L409 K412	I402-C406 WeakPolarHBondContact O-CB 3.46Å; I402-C406 PolarHBondContact O-N 3.45Å; W403-C406 HydrophobicContact CE3-CB 4.47Å; W403-C406 WeakPolarHBondContact O-CB 3.47Å; W403-C406 PolarHBondContact O-N 3.26Å; C406-L409 WeakPolarHBondContact O-CB 3.3Å; C406-L409 PolarHBondContact O-N 2.97Å; C406-K412 VanDerWaalsContact SG-CE 3.6Å; C406-K412 PolarHBondContact SG-NZ 3.05Å
407	D	79.4	Confident	87.8	Confident	136 Å²	136	72.2 Å²	72.2	73%	0.727	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	144.1	166.8	-57.5	-36.8	0	0	0	110.4	L409	D407-L409 PolarHBondContact O-N 2.87Å
408	N	83.3	Confident	88.1	Confident	109 Å²	109	68.9 Å²	68.9	58%	0.583	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.2	-179	-60.5	-25.9	0	0	0	113.7	S410 L411 K412	N408-S410 VanDerWaalsContact C-N 3.27Å; N408-S410 PolarHBondContact O-N 3.46Å; N408-L411 HydrophobicContact CB-CB 4.12Å; N408-L411 HydrophobicContact CB-CD2 4.39Å; N408-L411 WeakPolarHBondContact O-CB 3.35Å; N408-L411 PolarHBondContact O-N 3.45Å; N408-K412 PolarHBondContact O-N 3.49Å
409	L	88.1	Confident	88.5	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-49.5	-48.3	177.5	176.2	61.8	0	0	0	111.8	W403 C406 D407 L411 K412 L413 L535	W403-L409 HydrophobicContact CB-CD1 3.76Å; W403-L409 HydrophobicContact CD2-CD1 4.08Å; W403-L409 HydrophobicContact CE3-CD1 3.55Å; W403-L409 HydrophobicContact CG-CD1 4.21Å; W403-L409 HydrophobicContact CZ3-CD1 4.46Å; W403-L409 WeakPolarHBondContact O-CD2 3.44Å; C406-L409 WeakPolarHBondContact O-CB 3.3Å; C406-L409 PolarHBondContact O-N 2.97Å; D407-L409 PolarHBondContact O-N 2.87Å; L409-L411 VanDerWaalsContact C-N 3.31Å; L409-L411 PolarHBondContact O-N 3.25Å; L409-K412 PolarHBondContact O-N 2.95Å; L409-K412 VanDerWaalsContact O-N 3.13Å; L409-L413 HydrophobicContact CD1-CD1 4.03Å; L409-L413 HydrophobicContact CD1-CD2 4.31Å; L409-L413 HydrophobicContact CD1-CG 3.98Å; L409-L413 HydrophobicContact CG-CD1 3.96Å; L409-L413 HydrophobicContact CG-CG 4.29Å; L409-L413 WeakPolarHBondContact O-CG 3.02Å; L409-L413 PolarHBondContact O-N 2.93Å; L409-L535 HydrophobicContact CD2-CD1 3.84Å; L409-L535 HydrophobicContact CD2-CD2 3.99Å
410	S	87.9	Confident	89.2	Confident	38 Å²	38	58.9 Å²	58.9	27%	0.266	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-42.1	179.6	-55.2	0	0	0	0	112.5	N408 L413 L414	N408-S410 VanDerWaalsContact C-N 3.27Å; N408-S410 PolarHBondContact O-N 3.46Å; S410-L413 PolarHBondContact O-N 3.13Å; S410-L414 WeakPolarHBondContact O-CB 3.22Å; S410-L414 WeakPolarHBondContact O-CG 3.45Å; S410-L414 PolarHBondContact O-N 2.78Å
411	L	91.1	Very high	89.9	Confident	29 Å²	29	55 Å²	55	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-40.8	176.6	-175.6	64.4	0	0	0	111.6	N408 L409 L414 N415 I569 H572	N408-L411 HydrophobicContact CB-CB 4.12Å; N408-L411 HydrophobicContact CB-CD2 4.39Å; N408-L411 WeakPolarHBondContact O-CB 3.35Å; N408-L411 PolarHBondContact O-N 3.45Å; L409-L411 VanDerWaalsContact C-N 3.31Å; L409-L411 PolarHBondContact O-N 3.25Å; L411-L414 PolarHBondContact O-N 2.95Å; L411-N415 WeakPolarHBondContact O-CB 3.48Å; L411-N415 PolarHBondContact O-N 3.21Å; L411-I569 HydrophobicContact CD1-CB 4.24Å; L411-I569 HydrophobicContact CD1-CG1 4.35Å; L411-I569 HydrophobicContact CD1-CG2 3.84Å; L411-H572 HydrophobicContact CB-CB 4.47Å; L411-H572 HydrophobicContact CD1-CB 3.86Å
412	K	92.2	Very high	90.7	Very high	93 Å²	93	47.4 Å²	47.4	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-42.3	176.6	-65.5	-177.3	-173.9	-174.7	0	111.9	W403 C406 N408 L409 N415 F416	W403-K412 HydrophobicContact CZ3-CB 4.22Å; W403-K412 HydrophobicContact CZ3-CD 3.8Å; C406-K412 VanDerWaalsContact SG-CE 3.6Å; C406-K412 PolarHBondContact SG-NZ 3.05Å; N408-K412 PolarHBondContact O-N 3.49Å; L409-K412 PolarHBondContact O-N 2.95Å; L409-K412 VanDerWaalsContact O-N 3.13Å; K412-N415 PolarHBondContact O-N 3.46Å; K412-F416 PolarHBondContact O-N 3.21Å
413	L	95.4	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-38.9	176.7	-63.6	179.8	0	0	0	112.1	L396 L409 S410 F416 G417 I504 F505 L507 L535	L396-L413 HydrophobicContact CD2-CD2 4.22Å; L409-L413 HydrophobicContact CD1-CD1 4.03Å; L409-L413 HydrophobicContact CD1-CD2 4.31Å; L409-L413 HydrophobicContact CD1-CG 3.98Å; L409-L413 HydrophobicContact CG-CD1 3.96Å; L409-L413 HydrophobicContact CG-CG 4.29Å; L409-L413 WeakPolarHBondContact O-CG 3.02Å; L409-L413 PolarHBondContact O-N 2.93Å; S410-L413 PolarHBondContact O-N 3.13Å; L413-F416 HydrophobicContact CD2-CD2 4.43Å; L413-F416 WeakPolarHBondContact O-CB 3.36Å; L413-F416 PolarHBondContact O-N 3.01Å; L413-G417 PolarHBondContact O-N 3.37Å; L413-G417 VanDerWaalsContact O-N 3.09Å; L413-I504 HydrophobicContact CB-CG2 3.92Å; L413-I504 HydrophobicContact CD2-CG2 3.78Å; L413-I504 HydrophobicContact CG-CG2 4.37Å; L413-F505 HydrophobicContact CB-CD1 4.37Å; L413-F505 HydrophobicContact CB-CE1 3.94Å; L413-F505 HydrophobicContact CB-CE2 4.3Å; L413-F505 HydrophobicContact CB-CZ 3.89Å; L413-F505 HydrophobicContact CD1-CD1 4.11Å; L413-F505 HydrophobicContact CD1-CE1 4.33Å; L413-L507 HydrophobicContact CD1-CD2 4.13Å; L413-L507 HydrophobicContact CD2-CD2 3.93Å; L413-L535 HydrophobicContact CD1-CB 4.35Å; L413-L535 HydrophobicContact CD1-CD1 3.99Å
414	L	95.5	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-46.5	171.1	-82.9	171.2	0	0	0	111.6	S410 L411 F416 G417 Y418 F505 I540 L565 Q568 I569 H572	S410-L414 WeakPolarHBondContact O-CB 3.22Å; S410-L414 WeakPolarHBondContact O-CG 3.45Å; S410-L414 PolarHBondContact O-N 2.78Å; L411-L414 PolarHBondContact O-N 2.95Å; L414-F416 VanDerWaalsContact C-N 3.27Å; L414-F416 PolarHBondContact O-N 2.78Å; L414-G417 WeakPolarHBondContact O-CA 3.46Å; L414-G417 PolarHBondContact O-N 3.06Å; L414-G417 VanDerWaalsContact O-N 3.08Å; L414-Y418 PolarHBondContact O-N 3.22Å; L414-F505 HydrophobicContact CD2-CZ 4.14Å; L414-F505 HydrophobicContact CG-CZ 4.1Å; L414-I540 HydrophobicContact CD1-CD1 4.15Å; L414-I540 HydrophobicContact CD2-CD1 3.73Å; L414-I540 HydrophobicContact CD2-CG1 3.87Å; L414-I540 HydrophobicContact CG-CD1 3.97Å; L414-L565 HydrophobicContact CD2-CD2 4.06Å; L414-Q568 HydrophobicContact CD1-CB 4Å; L414-Q568 HydrophobicContact CD2-CB 3.93Å; L414-I569 HydrophobicContact CB-CD1 4.46Å; L414-I569 HydrophobicContact CB-CG1 3.81Å; L414-I569 HydrophobicContact CD1-CG1 4.49Å; L414-H572 VanDerWaalsContact CD1-CD2 3.41Å; L414-H572 WeakPolarHBondContact CD1-CD2 3.43Å
415	N	96.3	Very high	93.1	Very high	69 Å²	69	39.7 Å²	39.7	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-35.9	177.6	-169.8	16.9	0	0	0	111.7	L411 K412 Y418 Q419	L411-N415 WeakPolarHBondContact O-CB 3.48Å; L411-N415 PolarHBondContact O-N 3.21Å; K412-N415 PolarHBondContact O-N 3.46Å; N415-Y418 PolarHBondContact O-N 2.83Å; N415-Q419 VanDerWaalsContact O-CG 3.25Å; N415-Q419 WeakPolarHBondContact O-CG 3.47Å; N415-Q419 PolarHBondContact O-N 2.89Å; N415-Q419 PolarHBondContact O-NE2 2.8Å; N415-Q419 PolarHBondContact OD1-NE2 3.15Å
416	F	97.9	Very high	93.9	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.053	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-45.2	171.4	-72.4	-5.7	0	0	0	112.5	L392 Y395 L396 W403 K412 L413 L414 V420 L450 I504	L392-F416 HydrophobicContact CD1-CD2 3.96Å; L392-F416 HydrophobicContact CD1-CE2 4.02Å; Y395-F416 HydrophobicContact CE1-CE2 4.36Å; Y395-F416 HydrophobicContact CE1-CZ 4.12Å; L396-F416 HydrophobicContact CD2-CD2 4.3Å; L396-F416 HydrophobicContact CD2-CE2 4.05Å; W403-F416 HydrophobicContact CH2-CE2 4.13Å; W403-F416 AromaticContact CH2-CZ 3.95Å; W403-F416 HydrophobicContact CH2-CZ 3.95Å; W403-F416 HydrophobicContact CZ2-CE2 4.11Å; W403-F416 HydrophobicContact CZ2-CZ 4.21Å; K412-F416 PolarHBondContact O-N 3.21Å; L413-F416 HydrophobicContact CD2-CD2 4.43Å; L413-F416 WeakPolarHBondContact O-CB 3.36Å; L413-F416 PolarHBondContact O-N 3.01Å; L414-F416 VanDerWaalsContact C-N 3.27Å; L414-F416 PolarHBondContact O-N 2.78Å; F416-V420 WeakPolarHBondContact O-CG2 3.29Å; F416-V420 PolarHBondContact O-N 2.82Å; F416-L450 HydrophobicContact CB-CD1 3.56Å; F416-L450 HydrophobicContact CD1-CD1 3.76Å; F416-L450 HydrophobicContact CD1-CD2 4.36Å; F416-L450 HydrophobicContact CD1-CG 4.02Å; F416-L450 HydrophobicContact CD2-CD1 4.43Å; F416-L450 HydrophobicContact CE1-CD2 4.4Å; F416-L450 HydrophobicContact CE1-CG 4.48Å; F416-L450 HydrophobicContact CG-CD1 3.68Å; F416-L450 HydrophobicContact CG-CG 4.41Å; F416-I504 HydrophobicContact CB-CD1 3.99Å; F416-I504 HydrophobicContact CB-CG2 4.23Å
417	G	98.4	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-46	174.2	0	0	0	0	0	112.3	L413 L414 V420 A421	L413-G417 PolarHBondContact O-N 3.37Å; L413-G417 VanDerWaalsContact O-N 3.09Å; L414-G417 WeakPolarHBondContact O-CA 3.46Å; L414-G417 PolarHBondContact O-N 3.06Å; L414-G417 VanDerWaalsContact O-N 3.08Å; G417-V420 PolarHBondContact O-N 3.44Å; G417-A421 WeakPolarHBondContact O-CB 3.44Å; G417-A421 PolarHBondContact O-N 2.76Å
418	Y	98.6	Very high	95.5	Very high	44 Å²	44	28.9 Å²	28.9	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-49.1	178.9	171.1	-90.2	0	0	0	112.2	L414 N415 V420 A421 D422 V562 L565 E566 I569	L414-Y418 PolarHBondContact O-N 3.22Å; N415-Y418 PolarHBondContact O-N 2.83Å; Y418-V420 VanDerWaalsContact C-N 3.29Å; Y418-V420 PolarHBondContact O-N 2.79Å; Y418-A421 PolarHBondContact O-N 2.8Å; Y418-A421 VanDerWaalsContact O-N 3.13Å; Y418-D422 WeakPolarHBondContact O-CB 3.1Å; Y418-D422 PolarHBondContact O-N 2.84Å; Y418-V562 HydrophobicContact CD2-CG1 4.32Å; Y418-V562 HydrophobicContact CE2-CG1 3.74Å; Y418-L565 HydrophobicContact CD2-CB 4.42Å; Y418-E566 HydrophobicContact CD2-CB 4.3Å; Y418-E566 HydrophobicContact CE2-CB 4.05Å; Y418-I569 HydrophobicContact CD2-CD1 4.29Å; Y418-I569 HydrophobicContact CG-CD1 4.02Å
419	Q	98.7	Very high	96.1	Very high	13 Å²	13	27.7 Å²	27.7	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-40.9	-179.2	-71.9	179.4	59.6	0	0	112.3	H366 N415 G423 L450	H366-Q419 VanDerWaalsContact CB-O 3.23Å; H366-Q419 WeakPolarHBondContact CB-O 3.31Å; H366-Q419 PolarHBondContact CD2-O 3.08Å; H366-Q419 WeakPolarHBondContact CE1-CG 3.46Å; H366-Q419 PolarHBondContact CE1-OE1 2.99Å; H366-Q419 VanDerWaalsContact CE1-OE1 3.29Å; H366-Q419 VanDerWaalsContact CG-O 3.26Å; N415-Q419 VanDerWaalsContact O-CG 3.25Å; N415-Q419 WeakPolarHBondContact O-CG 3.47Å; N415-Q419 PolarHBondContact O-N 2.89Å; N415-Q419 PolarHBondContact O-NE2 2.8Å; N415-Q419 PolarHBondContact OD1-NE2 3.15Å; Q419-G423 PolarHBondContact O-N 2.95Å; Q419-G423 VanDerWaalsContact O-N 3.13Å; Q419-L450 HydrophobicContact CB-CB 4.14Å
420	V	98.8	Very high	96.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-70.3	-41.3	176.6	178.8	0	0	0	0	111	F416 G417 Y418 D422 G423 M424 L437 I442 L450 I452 F497 L500	F416-V420 WeakPolarHBondContact O-CG2 3.29Å; F416-V420 PolarHBondContact O-N 2.82Å; G417-V420 PolarHBondContact O-N 3.44Å; Y418-V420 VanDerWaalsContact C-N 3.29Å; Y418-V420 PolarHBondContact O-N 2.79Å; V420-D422 VanDerWaalsContact C-N 3.33Å; V420-D422 PolarHBondContact O-N 3.03Å; V420-G423 PolarHBondContact O-N 3.16Å; V420-M424 HydrophobicContact CG1-CG 4.46Å; V420-M424 WeakPolarHBondContact O-CG 3.48Å; V420-M424 PolarHBondContact O-N 2.85Å; V420-L437 HydrophobicContact CG1-CD1 4.13Å; V420-I442 HydrophobicContact CG1-CD1 3.97Å; V420-I442 HydrophobicContact CG2-CD1 4.08Å; V420-I442 HydrophobicContact CG2-CG1 4.08Å; V420-I442 HydrophobicContact CG2-CG2 3.98Å; V420-L450 HydrophobicContact CG2-CB 4.45Å; V420-L450 HydrophobicContact CG2-CD1 4.04Å; V420-I452 HydrophobicContact CG1-CD1 4.49Å; V420-I452 HydrophobicContact CG1-CG1 4.35Å; V420-F497 HydrophobicContact CB-CE2 4.18Å; V420-F497 HydrophobicContact CG1-CD2 4.1Å; V420-F497 HydrophobicContact CG1-CE2 4.07Å; V420-L500 HydrophobicContact CB-CD2 4.44Å; V420-L500 HydrophobicContact CG1-CD1 3.88Å; V420-L500 HydrophobicContact CG1-CD2 4.2Å; V420-L500 HydrophobicContact CG2-CD2 4.42Å
421	A	98.8	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-41.6	176.3	0	0	0	0	0	111.9	G417 Y418 M424 K425 F497 V562 L565	G417-A421 WeakPolarHBondContact O-CB 3.44Å; G417-A421 PolarHBondContact O-N 2.76Å; Y418-A421 PolarHBondContact O-N 2.8Å; Y418-A421 VanDerWaalsContact O-N 3.13Å; A421-M424 PolarHBondContact O-N 3.5Å; A421-K425 WeakPolarHBondContact O-CB 3.48Å; A421-K425 PolarHBondContact O-N 2.83Å; A421-F497 HydrophobicContact CB-CE2 3.86Å; A421-F497 HydrophobicContact CB-CZ 3.73Å; A421-V562 HydrophobicContact CB-CG2 3.79Å; A421-L565 HydrophobicContact CB-CD1 3.82Å
422	D	98.7	Very high	96.5	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-42.8	177.2	-170.8	44.2	0	0	0	111.4	H364 K365 H366 Y418 V420 M424 K425 Y426 V562	H364-D422 IonicContact CE1-OD2 3.78Å; H364-D422 PolarHBondContact CE1-OD2 2.95Å; H364-D422 IonicContact NE2-OD2 2.9Å; K365-D422 WeakPolarHBondContact CE-OD2 3.2Å; K365-D422 IonicContact NZ-OD2 3.07Å; K365-D422 PolarHBondContact NZ-OD2 3.26Å; H366-D422 IonicContact CD2-OD2 3.97Å; H366-D422 PolarHBondContact CD2-OD2 3.13Å; H366-D422 IonicContact NE2-OD2 3.87Å; Y418-D422 WeakPolarHBondContact O-CB 3.1Å; Y418-D422 PolarHBondContact O-N 2.84Å; V420-D422 VanDerWaalsContact C-N 3.33Å; V420-D422 PolarHBondContact O-N 3.03Å; D422-M424 PolarHBondContact O-N 3.18Å; D422-K425 WeakPolarHBondContact O-CB 3.48Å; D422-K425 PolarHBondContact O-N 2.91Å; D422-Y426 PolarHBondContact O-N 3.36Å; D422-V562 HydrophobicContact CB-CG2 4.34Å
423	G	98.6	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-40.1	171.7	0	0	0	0	0	113.6	Q419 V420 Y426 L427 I452	Q419-G423 PolarHBondContact O-N 2.95Å; Q419-G423 VanDerWaalsContact O-N 3.13Å; V420-G423 PolarHBondContact O-N 3.16Å; G423-Y426 WeakPolarHBondContact O-CB 3.16Å; G423-Y426 PolarHBondContact O-N 3.1Å; G423-L427 PolarHBondContact O-N 3.12Å; G423-L427 VanDerWaalsContact O-N 3.17Å; G423-I452 VanDerWaalsContact C-CD1 3.48Å
424	M	98.7	Very high	96.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-73	-32.4	177.6	-72.3	-58.4	-54.9	0	0	113	V420 A421 D422 Y426 L427 E428 H434 L437 I452 D493 F558	V420-M424 HydrophobicContact CG1-CG 4.46Å; V420-M424 WeakPolarHBondContact O-CG 3.48Å; V420-M424 PolarHBondContact O-N 2.85Å; A421-M424 PolarHBondContact O-N 3.5Å; D422-M424 PolarHBondContact O-N 3.18Å; M424-Y426 VanDerWaalsContact C-N 3.28Å; M424-Y426 PolarHBondContact O-N 3.36Å; M424-L427 HydrophobicContact CE-CD1 4.3Å; M424-L427 PolarHBondContact O-N 3.1Å; M424-L427 HydrophobicContact SD-CD1 3.81Å; M424-E428 WeakPolarHBondContact O-CB 3.14Å; M424-E428 PolarHBondContact O-N 3.42Å; M424-H434 HydrophobicContact CE-CB 4.06Å; M424-H434 HydrophobicContact SD-CB 4.33Å; M424-L437 HydrophobicContact CE-CD2 4.18Å; M424-L437 HydrophobicContact CG-CD1 4.28Å; M424-L437 HydrophobicContact CG-CD2 3.83Å; M424-L437 HydrophobicContact SD-CD1 3.87Å; M424-L437 HydrophobicContact SD-CD2 3.86Å; M424-L437 HydrophobicContact SD-CG 4.41Å; M424-I452 HydrophobicContact CG-CD1 3.83Å; M424-I452 HydrophobicContact SD-CD1 3.83Å; M424-D493 HydrophobicContact CE-CB 3.85Å; M424-F558 HydrophobicContact CB-CB 4.44Å; M424-F558 HydrophobicContact CB-CD1 3.35Å; M424-F558 HydrophobicContact CB-CD2 3.87Å; M424-F558 HydrophobicContact CB-CE1 3.34Å; M424-F558 HydrophobicContact CB-CE2 3.85Å; M424-F558 HydrophobicContact CB-CG 3.62Å; M424-F558 HydrophobicContact CB-CZ 3.6Å; M424-F558 HydrophobicContact CE-CD2 4.5Å; M424-F558 HydrophobicContact CE-CE1 4.47Å; M424-F558 HydrophobicContact CE-CE2 3.64Å; M424-F558 HydrophobicContact CE-CZ 3.63Å; M424-F558 HydrophobicContact CG-CD1 4.24Å; M424-F558 HydrophobicContact CG-CE1 3.73Å; M424-F558 HydrophobicContact CG-CE2 4.44Å; M424-F558 HydrophobicContact CG-CZ 3.84Å
425	K	98.6	Very high	96.2	Very high	76 Å²	76	27.6 Å²	27.6	33%	0.33	14%	0.142	S	C	.	.	H	α-helix	trans	-58.6	-42.5	170.2	177.5	-174.9	176.6	-177.7	0	110.8	A421 D422 E428 S429 F558 V562	A421-K425 WeakPolarHBondContact O-CB 3.48Å; A421-K425 PolarHBondContact O-N 2.83Å; D422-K425 WeakPolarHBondContact O-CB 3.48Å; D422-K425 PolarHBondContact O-N 2.91Å; K425-E428 WeakPolarHBondContact O-CB 3.33Å; K425-E428 PolarHBondContact O-N 3.36Å; K425-S429 PolarHBondContact O-N 2.76Å; K425-F558 HydrophobicContact CB-CB 3.99Å; K425-V562 HydrophobicContact CB-CG2 4.28Å; K425-V562 HydrophobicContact CD-CG2 4.14Å
426	Y	98.4	Very high	96	Very high	43 Å²	43	25 Å²	25	17%	0.169	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-45.4	172.8	176.9	-95.3	0	0	0	112.2	L362 R363 H364 I367 D422 G423 M424 E428 S429 K430	L362-Y426 HydrophobicContact CB-CE1 4.42Å; L362-Y426 HydrophobicContact CD2-CE1 3.91Å; R363-Y426 PolarHBondContact N-OH 3.11Å; R363-Y426 PolarHBondContact O-OH 2.79Å; H364-Y426 HydrophobicContact CB-CD1 3.88Å; H364-Y426 HydrophobicContact CB-CD2 4.34Å; H364-Y426 HydrophobicContact CB-CE1 4.12Å; H364-Y426 HydrophobicContact CB-CG 3.96Å; H364-Y426 AromaticContact CD2-CD2 4Å; H364-Y426 AromaticContact CD2-CG 3.97Å; H364-Y426 AromaticContact CG-CG 3.97Å; I367-Y426 HydrophobicContact CD1-CD1 3.4Å; I367-Y426 HydrophobicContact CD1-CE1 3.87Å; I367-Y426 HydrophobicContact CD1-CG 4.41Å; D422-Y426 PolarHBondContact O-N 3.36Å; G423-Y426 WeakPolarHBondContact O-CB 3.16Å; G423-Y426 PolarHBondContact O-N 3.1Å; M424-Y426 VanDerWaalsContact C-N 3.28Å; M424-Y426 PolarHBondContact O-N 3.36Å; Y426-E428 VanDerWaalsContact C-N 3.33Å; Y426-E428 PolarHBondContact O-N 3.19Å; Y426-S429 PolarHBondContact O-N 3.19Å; Y426-S429 PolarHBondContact O-OG 3.18Å; Y426-K430 HydrophobicContact CE1-CG 4.15Å; Y426-K430 PolarHBondContact O-N 3.29Å; Y426-K430 WeakPolarHBondContact OH-CE 3.34Å
427	L	97	Very high	95.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-39.1	175.4	-65.8	-177	0	0	0	112.9	L362 I367 G423 M424 S429 K430 C431 L432 F455	L362-L427 HydrophobicContact CD1-CD2 4.04Å; L362-L427 HydrophobicContact CD2-CD2 3.85Å; I367-L427 HydrophobicContact CD1-CD2 3.64Å; I367-L427 HydrophobicContact CD1-CG 3.95Å; G423-L427 PolarHBondContact O-N 3.12Å; G423-L427 VanDerWaalsContact O-N 3.17Å; M424-L427 HydrophobicContact CE-CD1 4.3Å; M424-L427 PolarHBondContact O-N 3.1Å; M424-L427 HydrophobicContact SD-CD1 3.81Å; L427-S429 VanDerWaalsContact C-N 3.33Å; L427-S429 PolarHBondContact O-N 2.81Å; L427-K430 CarbonylContact O-C 3.51Å; L427-K430 WeakPolarHBondContact O-CA 3.48Å; L427-K430 PolarHBondContact O-N 2.86Å; L427-C431 PolarHBondContact O-N 2.75Å; L427-L432 HydrophobicContact CB-CB 4.32Å; L427-L432 HydrophobicContact CD2-CB 4.39Å; L427-L432 HydrophobicContact CD2-CD1 3.97Å; L427-L432 PolarHBondContact O-N 3.31Å; L427-F455 HydrophobicContact CD1-CE1 3.95Å; L427-F455 HydrophobicContact CD2-CE1 3.98Å
428	E	94.8	Very high	95.9	Very high	38 Å²	38	24.4 Å²	24.4	18%	0.178	13%	0.125	C	C	.	.	H	α-helix	trans	-57.4	-45.3	173.4	170.2	173.7	-107.5	0	0	110.9	M424 K425 Y426 K430 C431 I490 F558 S559	M424-E428 WeakPolarHBondContact O-CB 3.14Å; M424-E428 PolarHBondContact O-N 3.42Å; K425-E428 WeakPolarHBondContact O-CB 3.33Å; K425-E428 PolarHBondContact O-N 3.36Å; Y426-E428 VanDerWaalsContact C-N 3.33Å; Y426-E428 PolarHBondContact O-N 3.19Å; E428-K430 PolarHBondContact O-N 2.76Å; E428-C431 PolarHBondContact O-N 2.83Å; E428-I490 HydrophobicContact CB-CD1 4.38Å; E428-I490 HydrophobicContact CB-CG2 4.01Å; E428-I490 HydrophobicContact CG-CD1 4.1Å; E428-I490 HydrophobicContact CG-CG2 3.95Å; E428-I490 WeakPolarHBondContact OE1-CG2 3.25Å; E428-F558 HydrophobicContact CB-CD2 4.33Å; E428-F558 PolarHBondContact OE2-N 2.8Å; E428-S559 PolarHBondContact OE2-N 3.13Å
429	S	95.6	Very high	95.8	Very high	85 Å²	85	22.3 Å²	22.3	59%	0.594	12%	0.117	S	C	*	.	H	α-helix	trans	-64.7	-20	175.8	78.7	0	0	0	0	114.5	K425 Y426 L427	K425-S429 PolarHBondContact O-N 2.76Å; Y426-S429 PolarHBondContact O-N 3.19Å; Y426-S429 PolarHBondContact O-OG 3.18Å; L427-S429 VanDerWaalsContact C-N 3.33Å; L427-S429 PolarHBondContact O-N 2.81Å
430	K	92.2	Very high	95.7	Very high	93 Å²	93	25 Å²	25	40%	0.404	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	6.2	174.6	-65	-65.2	-175.2	176.4	0	112.2	Y426 L427 E428 L432	Y426-K430 HydrophobicContact CE1-CG 4.15Å; Y426-K430 PolarHBondContact O-N 3.29Å; Y426-K430 WeakPolarHBondContact OH-CE 3.34Å; L427-K430 CarbonylContact O-C 3.51Å; L427-K430 WeakPolarHBondContact O-CA 3.48Å; L427-K430 PolarHBondContact O-N 2.86Å; E428-K430 PolarHBondContact O-N 2.76Å; K430-L432 HydrophobicContact CB-CD1 3.87Å; K430-L432 HydrophobicContact CB-CG 4.05Å; K430-L432 PolarHBondContact O-N 3.47Å
431	C	92	Very high	95.5	Very high	63 Å²	63	25.6 Å²	25.6	43%	0.426	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	34.4	-174.8	-60.5	0	0	0	0	112.7	L427 E428 F460 A461	L427-C431 PolarHBondContact O-N 2.75Å; E428-C431 PolarHBondContact O-N 2.83Å; C431-F460 CarbonylContact O-C 3.54Å; C431-F460 WeakPolarHBondContact O-CA 3.4Å; C431-A461 WeakPolarHBondContact O-CB 3.26Å; C431-A461 PolarHBondContact O-N 2.83Å
432	L	91.2	Very high	95.5	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.6	-179.7	-70	170	0	0	0	111.2	I358 L362 L427 K430 T458 F460	I358-L432 HydrophobicContact CG2-CD1 4.19Å; I358-L432 HydrophobicContact CG2-CD2 4.36Å; L362-L432 HydrophobicContact CD2-CD1 3.53Å; L427-L432 HydrophobicContact CB-CB 4.32Å; L427-L432 HydrophobicContact CD2-CB 4.39Å; L427-L432 HydrophobicContact CD2-CD1 3.97Å; L427-L432 PolarHBondContact O-N 3.31Å; K430-L432 HydrophobicContact CB-CD1 3.87Å; K430-L432 HydrophobicContact CB-CG 4.05Å; K430-L432 PolarHBondContact O-N 3.47Å; L432-T458 HydrophobicContact CB-CG2 4.15Å; L432-T458 HydrophobicContact CD2-CG2 4.14Å; L432-F460 HydrophobicContact CD2-CD1 3.62Å; L432-F460 HydrophobicContact CD2-CD2 4.46Å; L432-F460 HydrophobicContact CD2-CE1 3.7Å; L432-F460 HydrophobicContact CD2-CG 4.02Å; L432-F460 HydrophobicContact CD2-CZ 4.17Å; L432-F460 HydrophobicContact CG-CD1 4.38Å; L432-F460 HydrophobicContact CG-CE1 4.38Å
433	I	92.3	Very high	95.4	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.1	174	-48.6	168.4	0	0	0	107.8	R435 T458 R459 A461 Y488 T489 I490 D493	I433-R435 HydrophobicContact CB-CG 4.2Å; I433-R435 HydrophobicContact CG2-CG 3.58Å; I433-T458 VanDerWaalsContact O-CA 3.22Å; I433-T458 WeakPolarHBondContact O-CA 3.34Å; I433-T458 WeakPolarHBondContact O-CG2 3.31Å; I433-R459 PolarHBondContact N-O 2.64Å; I433-R459 PolarHBondContact O-N 2.69Å; I433-R459 VanDerWaalsContact O-N 3.07Å; I433-A461 HydrophobicContact CD1-CB 3.91Å; I433-A461 HydrophobicContact CG1-CB 4.05Å; I433-Y488 WeakPolarHBondContact CD1-O 3.25Å; I433-T489 WeakPolarHBondContact CG2-O 3.48Å; I433-I490 HydrophobicContact CG1-CG1 4.24Å; I433-D493 WeakPolarHBondContact CA-OD2 3.43Å; I433-D493 VanDerWaalsContact CG2-OD2 3.26Å; I433-D493 WeakPolarHBondContact CG2-OD2 3.37Å
434	H	93.2	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.			trans	-71.2	-41.7	-178	-169.9	-72.4	0	0	0	112.7	M424 D436 L437 I452 A453 D493	M424-H434 HydrophobicContact CE-CB 4.06Å; M424-H434 HydrophobicContact SD-CB 4.33Å; H434-D436 PolarHBondContact CE1-O 2.66Å; H434-D436 VanDerWaalsContact ND1-C 3.27Å; H434-D436 PolarHBondContact ND1-N 2.79Å; H434-D436 PolarHBondContact O-N 3.42Å; H434-L437 PolarHBondContact ND1-N 3.34Å; H434-I452 VanDerWaalsContact CD2-CG2 3.43Å; H434-I452 WeakPolarHBondContact CD2-CG2 3.32Å; H434-I452 VanDerWaalsContact NE2-CG2 3.33Å; H434-I452 WeakPolarHBondContact NE2-CG2 3.31Å; H434-A453 PolarHBondContact NE2-O 3.02Å; H434-D493 PolarHBondContact N-OD2 3.28Å
435	R	91.7	Very high	95.1	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.038	14%	0.135	C	C	.	.	S	Bend	trans	67	-15.3	176	-58	175.9	50.2	-170.6	3.8	117.5	I433 L457 Y465 Y488 D493	I433-R435 HydrophobicContact CB-CG 4.2Å; I433-R435 HydrophobicContact CG2-CG 3.58Å; R435-L457 HydrophobicContact CB-CB 4.2Å; R435-L457 WeakPolarHBondContact CD-O 3.4Å; R435-Y465 PolarHBondContact NH2-O 2.87Å; R435-Y488 HydrophobicContact CB-CD1 4.27Å; R435-Y488 HydrophobicContact CG-CD1 3.97Å; R435-Y488 HydrophobicContact CG-CG 4.08Å; R435-D493 WeakPolarHBondContact CA-OD1 3.45Å; R435-D493 PolarHBondContact N-OD1 2.88Å
436	D	91.6	Very high	94.6	Very high	14 Å²	14	29.2 Å²	29.2	8%	0.075	15%	0.146	C	C	.	.			trans	-131.9	41.7	173.3	-160.5	27	0	0	0	113	H434 A438 R440 N441 L457 P474	H434-D436 PolarHBondContact CE1-O 2.66Å; H434-D436 VanDerWaalsContact ND1-C 3.27Å; H434-D436 PolarHBondContact ND1-N 2.79Å; H434-D436 PolarHBondContact O-N 3.42Å; D436-A438 PolarHBondContact O-N 3.09Å; D436-R440 IonicContact OD1-CZ 3.63Å; D436-R440 IonicContact OD1-NH2 2.78Å; D436-R440 PolarHBondContact OD1-NH2 3.3Å; D436-R440 IonicContact OD2-NH2 3.59Å; D436-N441 PolarHBondContact O-ND2 2.84Å; D436-N441 PolarHBondContact OD2-ND2 3.38Å; D436-L457 HydrophobicContact CB-CD1 3.99Å; D436-P474 WeakPolarHBondContact OD1-CG 3.45Å
437	L	97.3	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.			trans	-71.4	113	179.4	-176.4	65.9	0	0	0	110.4	V420 M424 H434 I442 F497 L500 F558	V420-L437 HydrophobicContact CG1-CD1 4.13Å; M424-L437 HydrophobicContact CE-CD2 4.18Å; M424-L437 HydrophobicContact CG-CD1 4.28Å; M424-L437 HydrophobicContact CG-CD2 3.83Å; M424-L437 HydrophobicContact SD-CD1 3.87Å; M424-L437 HydrophobicContact SD-CD2 3.86Å; M424-L437 HydrophobicContact SD-CG 4.41Å; H434-L437 PolarHBondContact ND1-N 3.34Å; L437-I442 HydrophobicContact CD1-CD1 3.98Å; L437-F497 HydrophobicContact CD2-CB 3.74Å; L437-F497 HydrophobicContact CD2-CD2 4.29Å; L437-L500 HydrophobicContact CD1-CD1 3.8Å; L437-L500 HydrophobicContact CG-CD1 3.84Å; L437-F558 HydrophobicContact CD2-CZ 4.4Å
438	A	97	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-159.4	160.5	-178.9	0	0	0	0	0	111	D436 R440 N441 I442 W477	D436-A438 PolarHBondContact O-N 3.09Å; A438-R440 HydrophobicContact CB-CG 3.99Å; A438-R440 PolarHBondContact O-N 3.35Å; A438-N441 PolarHBondContact O-N 3.4Å; A438-I442 PolarHBondContact O-N 3.5Å; A438-W477 HydrophobicContact CB-CD2 4.36Å; A438-W477 HydrophobicContact CB-CG 4.15Å
439	A	97.8	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.5	-178.3	0	0	0	0	0	114.4	L392 K393 N441 E503	L392-A439 WeakPolarHBondContact CB-O 3.45Å; L392-A439 PolarHBondContact N-O 3.14Å; K393-A439 HydrophobicContact CB-CB 3.96Å; K393-A439 PolarHBondContact N-O 3.21Å; K393-A439 VanDerWaalsContact N-O 3.08Å; A439-N441 VanDerWaalsContact C-N 3.31Å; A439-E503 HydrophobicContact CB-CB 3.93Å; A439-E503 HydrophobicContact CB-CG 4.45Å; A439-E503 PolarHBondContact N-OE2 2.92Å
440	R	94.9	Very high	94.2	Very high	70 Å²	70	39.3 Å²	39.3	26%	0.264	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.6	173.3	60.7	170.1	176.8	-73.4	-5.6	113.8	N391 D436 A438 P474	N391-R440 VanDerWaalsContact CB-O 3.23Å; N391-R440 WeakPolarHBondContact CB-O 3.33Å; D436-R440 IonicContact OD1-CZ 3.63Å; D436-R440 IonicContact OD1-NH2 2.78Å; D436-R440 PolarHBondContact OD1-NH2 3.3Å; D436-R440 IonicContact OD2-NH2 3.59Å; A438-R440 HydrophobicContact CB-CG 3.99Å; A438-R440 PolarHBondContact O-N 3.35Å; R440-P474 VanDerWaalsContact NH2-CB 3.28Å
441	N	95.7	Very high	94.5	Very high	14 Å²	14	35.7 Å²	35.7	8%	0.075	16%	0.164	C	C	.	.	S	Bend	trans	-105.6	6.4	-177.9	-66.3	-9.8	0	0	0	111.9	D436 A438 A439 A453 D454	D436-N441 PolarHBondContact O-ND2 2.84Å; D436-N441 PolarHBondContact OD2-ND2 3.38Å; A438-N441 PolarHBondContact O-N 3.4Å; A439-N441 VanDerWaalsContact C-N 3.31Å; N441-A453 WeakPolarHBondContact O-CB 2.91Å; N441-A453 PolarHBondContact O-N 3.28Å; N441-D454 HydrophobicContact CB-CB 4.45Å
442	I	98.3	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126	166.4	-52.4	-52.6	0	0	0	107.7	N391 L392 V420 L437 A438 L450 I452 L500	N391-I442 CarbonylContact C-O 3.58Å; N391-I442 VanDerWaalsContact CA-O 3.25Å; N391-I442 WeakPolarHBondContact CA-O 3.26Å; L392-I442 HydrophobicContact CB-CB 3.93Å; L392-I442 HydrophobicContact CB-CG2 4.16Å; L392-I442 HydrophobicContact CD2-CB 4.12Å; L392-I442 HydrophobicContact CD2-CG2 4.05Å; L392-I442 PolarHBondContact N-O 2.96Å; V420-I442 HydrophobicContact CG1-CD1 3.97Å; V420-I442 HydrophobicContact CG2-CD1 4.08Å; V420-I442 HydrophobicContact CG2-CG1 4.08Å; V420-I442 HydrophobicContact CG2-CG2 3.98Å; L437-I442 HydrophobicContact CD1-CD1 3.98Å; A438-I442 PolarHBondContact O-N 3.5Å; I442-L450 HydrophobicContact CG2-CB 3.89Å; I442-L450 HydrophobicContact CG2-CD1 4.17Å; I442-L450 HydrophobicContact CG2-CD2 4.41Å; I442-L450 HydrophobicContact CG2-CG 4.39Å; I442-I452 HydrophobicContact CD1-CB 4.29Å; I442-I452 HydrophobicContact CD1-CG1 3.8Å; I442-I452 HydrophobicContact CD1-CG2 4.49Å; I442-L500 HydrophobicContact CD1-CD1 4.02Å; I442-L500 HydrophobicContact CG1-CD1 3.73Å
443	L	97.7	Very high	94.9	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.225	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.4	176.5	-64.9	-177.1	0	0	0	110.8	I368 A387 G390 N391 L450 K451 A453	I368-L443 HydrophobicContact CD1-CB 4.06Å; I368-L443 HydrophobicContact CD1-CD1 3.71Å; I368-L443 HydrophobicContact CD1-CG 4.42Å; I368-L443 HydrophobicContact CG1-CD1 3.92Å; A387-L443 HydrophobicContact CB-CB 3.56Å; A387-L443 HydrophobicContact CB-CD1 3.98Å; A387-L443 HydrophobicContact CB-CG 4.28Å; G390-L443 WeakPolarHBondContact O-CA 3.35Å; N391-L443 HydrophobicContact CB-CD2 4.08Å; L443-L450 WeakPolarHBondContact O-CA 3.22Å; L443-K451 PolarHBondContact N-O 3.29Å; L443-K451 PolarHBondContact O-N 3.19Å; L443-A453 HydrophobicContact CD1-CB 3.69Å; L443-A453 HydrophobicContact CG-CB 3.73Å
444	V	96.3	Very high	94.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	103.9	178.2	-175.8	0	0	0	0	107.9	Y389 G390 L392 Y395 Y448 L450	Y389-V444 WeakPolarHBondContact CB-O 3.32Å; Y389-V444 HydrophobicContact CD2-CG1 3.93Å; Y389-V444 WeakPolarHBondContact CD2-O 3.48Å; Y389-V444 HydrophobicContact CG-CG1 4.19Å; Y389-V444 PolarHBondContact N-O 3.4Å; G390-V444 PolarHBondContact O-N 3.13Å; L392-V444 HydrophobicContact CB-CG2 4.23Å; L392-V444 HydrophobicContact CD1-CG2 4.04Å; Y395-V444 HydrophobicContact CD1-CG1 4.48Å; Y395-V444 HydrophobicContact CD1-CG2 3.95Å; Y395-V444 HydrophobicContact CE1-CG1 4.4Å; Y395-V444 HydrophobicContact CG-CG2 3.97Å; V444-Y448 HydrophobicContact CG1-CD1 4.37Å; V444-L450 HydrophobicContact CB-CD2 4.3Å; V444-L450 HydrophobicContact CG1-CD2 4.34Å; V444-L450 HydrophobicContact CG2-CD2 3.7Å
445	G	92.7	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.157	C	C	.	.			trans	-82.9	-172.3	-176.3	0	0	0	0	0	113.9	Y389 Y448 K449	Y389-G445 VanDerWaalsContact CD2-O 3.22Å; Y389-G445 WeakPolarHBondContact CD2-O 3.36Å; Y389-G445 VanDerWaalsContact CE2-O 3.31Å; Y389-G445 WeakPolarHBondContact CE2-O 3.42Å; G445-Y448 PolarHBondContact O-N 3.28Å; G445-K449 PolarHBondContact N-O 3.46Å
446	K	89.5	Confident	93.4	Very high	131 Å²	131	34.6 Å²	34.6	57%	0.57	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-56.3	149.6	172	-65.4	180	-177.7	175.3	0	110.5	P388 Y448 K449	P388-K446 HydrophobicContact CG-CG 4.25Å; K446-Y448 PolarHBondContact O-N 3.47Å; K446-Y448 VanDerWaalsContact O-N 3.1Å; K446-K449 PolarHBondContact O-N 2.93Å
447	H	90.4	Very high	92.7	Very high	161 Å²	161	34.8 Å²	34.8	75%	0.745	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	54.7	23.9	-174.3	-48.5	-79.7	0	0	0	114.3	K449	H447-K449 PolarHBondContact O-N 3.42Å
448	Y	91.7	Very high	91.8	Very high	117 Å²	117	34.8 Å²	34.8	46%	0.459	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	59.7	22.6	-179.7	-48.3	-76.3	0	0	0	114.7	Y389 Y395 V444 G445 K446	Y389-Y448 HydrophobicContact CD1-CE1 4.47Å; Y389-Y448 HydrophobicContact CD2-CD1 4.29Å; Y389-Y448 HydrophobicContact CD2-CE1 4.44Å; Y389-Y448 HydrophobicContact CE1-CE1 4.06Å; Y389-Y448 HydrophobicContact CE2-CD1 4.07Å; Y389-Y448 HydrophobicContact CE2-CE1 4.01Å; Y389-Y448 AromaticContact CZ-CE1 3.8Å; Y395-Y448 WeakPolarHBondContact OH-CD1 2.98Å; V444-Y448 HydrophobicContact CG1-CD1 4.37Å; G445-Y448 PolarHBondContact O-N 3.28Å; K446-Y448 PolarHBondContact O-N 3.47Å; K446-Y448 VanDerWaalsContact O-N 3.1Å
449	K	95.8	Very high	90.8	Very high	98 Å²	98	35.6 Å²	35.6	43%	0.426	16%	0.16	S	C	.	.			trans	-71	129	172.9	-69	-174.8	177.1	-179.3	0	109.8	G445 K446 H447	G445-K449 PolarHBondContact N-O 3.46Å; K446-K449 PolarHBondContact O-N 2.93Å; H447-K449 PolarHBondContact O-N 3.42Å
450	L	98.4	Very high	89.3	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	140.5	176.3	-60.3	-165.8	0	0	0	110.8	H366 L392 F416 Q419 V420 I442 L443 V444	H366-L450 WeakPolarHBondContact CA-O 3.1Å; H366-L450 PolarHBondContact ND1-O 2.97Å; L392-L450 HydrophobicContact CD1-CD1 4.26Å; L392-L450 HydrophobicContact CD1-CD2 3.98Å; L392-L450 HydrophobicContact CD2-CD1 3.89Å; F416-L450 HydrophobicContact CB-CD1 3.56Å; F416-L450 HydrophobicContact CD1-CD1 3.76Å; F416-L450 HydrophobicContact CD1-CD2 4.36Å; F416-L450 HydrophobicContact CD1-CG 4.02Å; F416-L450 HydrophobicContact CD2-CD1 4.43Å; F416-L450 HydrophobicContact CE1-CD2 4.4Å; F416-L450 HydrophobicContact CE1-CG 4.48Å; F416-L450 HydrophobicContact CG-CD1 3.68Å; F416-L450 HydrophobicContact CG-CG 4.41Å; Q419-L450 HydrophobicContact CB-CB 4.14Å; V420-L450 HydrophobicContact CG2-CB 4.45Å; V420-L450 HydrophobicContact CG2-CD1 4.04Å; I442-L450 HydrophobicContact CG2-CB 3.89Å; I442-L450 HydrophobicContact CG2-CD1 4.17Å; I442-L450 HydrophobicContact CG2-CD2 4.41Å; I442-L450 HydrophobicContact CG2-CG 4.39Å; L443-L450 WeakPolarHBondContact O-CA 3.22Å; V444-L450 HydrophobicContact CB-CD2 4.3Å; V444-L450 HydrophobicContact CG1-CD2 4.34Å; V444-L450 HydrophobicContact CG2-CD2 3.7Å
451	K	98.4	Very high	87.1	Confident	18 Å²	18	37.5 Å²	37.5	8%	0.078	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.8	-176.7	-67.1	-178.9	169.1	-103	0	110.6	K365 H366 I367 I368 E385 L443	K365-K451 PolarHBondContact O-NZ 3.42Å; H366-K451 WeakPolarHBondContact O-CA 3.32Å; I367-K451 PolarHBondContact O-NZ 2.97Å; I368-K451 HydrophobicContact CD1-CB 3.62Å; I368-K451 HydrophobicContact CD1-CD 3.87Å; I368-K451 HydrophobicContact CD1-CG 4.38Å; I368-K451 HydrophobicContact CG1-CB 3.81Å; E385-K451 VanDerWaalsContact CD-CD 3.49Å; E385-K451 VanDerWaalsContact CD-CE 3.42Å; E385-K451 VanDerWaalsContact OE1-CD 3.32Å; E385-K451 WeakPolarHBondContact OE1-CD 3.12Å; E385-K451 WeakPolarHBondContact OE1-CE 3.42Å; E385-K451 IonicContact OE1-NZ 3.03Å; E385-K451 PolarHBondContact OE1-NZ 2.96Å; E385-K451 WeakPolarHBondContact OE2-CD 3.29Å; E385-K451 WeakPolarHBondContact OE2-CE 3.36Å; E385-K451 IonicContact OE2-NZ 3.77Å; E385-K451 PolarHBondContact OE2-NZ 3.41Å; L443-K451 PolarHBondContact N-O 3.29Å; L443-K451 PolarHBondContact O-N 3.19Å
452	I	98.5	Very high	84.7	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.9	173	-59.1	162.9	0	0	0	108.3	H366 I367 I368 V420 G423 M424 H434 I442 F455	H366-I452 PolarHBondContact O-N 3.4Å; I367-I452 HydrophobicContact CG1-CB 4.44Å; I368-I452 PolarHBondContact N-O 2.9Å; V420-I452 HydrophobicContact CG1-CD1 4.49Å; V420-I452 HydrophobicContact CG1-CG1 4.35Å; G423-I452 VanDerWaalsContact C-CD1 3.48Å; M424-I452 HydrophobicContact CG-CD1 3.83Å; M424-I452 HydrophobicContact SD-CD1 3.83Å; H434-I452 VanDerWaalsContact CD2-CG2 3.43Å; H434-I452 WeakPolarHBondContact CD2-CG2 3.32Å; H434-I452 VanDerWaalsContact NE2-CG2 3.33Å; H434-I452 WeakPolarHBondContact NE2-CG2 3.31Å; I442-I452 HydrophobicContact CD1-CB 4.29Å; I442-I452 HydrophobicContact CD1-CG1 3.8Å; I442-I452 HydrophobicContact CD1-CG2 4.49Å; I452-F455 HydrophobicContact CG2-CZ 4.23Å
453	A	94.4	Very high	82	Confident	10 Å²	10	45 Å²	45	8%	0.083	22%	0.215	C	C	.	.			trans	-136	173.4	-175.4	0	0	0	0	0	111	I368 H434 N441 L443	I368-A453 HydrophobicContact CB-CB 4.42Å; I368-A453 HydrophobicContact CG1-CB 3.61Å; H434-A453 PolarHBondContact NE2-O 3.02Å; N441-A453 WeakPolarHBondContact O-CB 2.91Å; N441-A453 PolarHBondContact O-N 3.28Å; L443-A453 HydrophobicContact CD1-CB 3.69Å; L443-A453 HydrophobicContact CG-CB 3.73Å
454	D	85	Confident	79.1	Confident	45 Å²	45	50.8 Å²	50.8	24%	0.241	24%	0.235	C	C	.	.			trans	63.5	78.8	178.4	-157.2	6.6	0	0	0	114	F312 K338 N441 G456	F312-D454 WeakPolarHBondContact CD2-OD1 3.44Å; F312-D454 VanDerWaalsContact CD2-OD2 3.27Å; F312-D454 WeakPolarHBondContact CD2-OD2 3.46Å; F312-D454 WeakPolarHBondContact CE2-OD2 3.29Å; K338-D454 IonicContact NZ-OD1 3.93Å; K338-D454 PolarHBondContact NZ-OD1 3.04Å; N441-D454 HydrophobicContact CB-CB 4.45Å; D454-G456 VanDerWaalsContact C-N 3.29Å; D454-G456 PolarHBondContact O-N 3.27Å
455	F	84.2	Confident	76.3	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	25%	0.251	C	S	.	.			trans	-89.8	12.1	-179.4	-67.8	-92.6	0	0	0	112.8	E355 I358 M359 L362 I367 L427 I452 L457 T458	E355-F455 HydrophobicContact CG-CB 3.98Å; E355-F455 PolarHBondContact OE1-N 2.89Å; I358-F455 HydrophobicContact CG2-CD1 4.28Å; M359-F455 HydrophobicContact CE-CD2 4.47Å; M359-F455 HydrophobicContact CG-CB 4.26Å; M359-F455 HydrophobicContact CG-CD2 4Å; M359-F455 HydrophobicContact CG-CG 4.25Å; M359-F455 HydrophobicContact SD-CD2 4.16Å; L362-F455 HydrophobicContact CD1-CD1 3.83Å; L362-F455 HydrophobicContact CD1-CE1 3.41Å; L362-F455 VanDerWaalsContact CD1-CE1 3.41Å; L362-F455 HydrophobicContact CD1-CE2 4.23Å; L362-F455 HydrophobicContact CD1-CG 4.44Å; L362-F455 HydrophobicContact CD1-CZ 3.65Å; I367-F455 HydrophobicContact CG2-CE2 3.94Å; I367-F455 HydrophobicContact CG2-CZ 3.66Å; L427-F455 HydrophobicContact CD1-CE1 3.95Å; L427-F455 HydrophobicContact CD2-CE1 3.98Å; I452-F455 HydrophobicContact CG2-CZ 4.23Å; F455-L457 PolarHBondContact O-N 3.21Å; F455-L457 VanDerWaalsContact O-N 3.13Å; F455-T458 WeakPolarHBondContact CA-OG1 3.25Å; F455-T458 HydrophobicContact CD1-CG2 3.91Å; F455-T458 VanDerWaalsContact CD1-OG1 3.3Å; F455-T458 WeakPolarHBondContact CD1-OG1 3.42Å; F455-T458 WeakPolarHBondContact O-CB 3.41Å; F455-T458 PolarHBondContact O-N 3.3Å
456	G	77.1	Confident	74	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.021	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30	-175.9	0	0	0	0	0	113.9	E355 D454 R459	E355-G456 PolarHBondContact OE1-N 2.7Å; D454-G456 VanDerWaalsContact C-N 3.29Å; D454-G456 PolarHBondContact O-N 3.27Å; G456-R459 PolarHBondContact O-NH1 3.46Å; G456-R459 PolarHBondContact O-NH2 2.95Å
457	L	75	Confident	71.8	Confident	18 Å²	18	61.7 Å²	61.7	9%	0.094	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.8	173.9	-65.5	178	0	0	0	114.1	F312 R435 D436 F455	F312-L457 HydrophobicContact CE1-CD1 4.31Å; F312-L457 HydrophobicContact CE1-CD2 3.75Å; F312-L457 HydrophobicContact CE1-CG 3.62Å; F312-L457 HydrophobicContact CZ-CD1 3.77Å; F312-L457 HydrophobicContact CZ-CD2 4.07Å; F312-L457 HydrophobicContact CZ-CG 3.53Å; R435-L457 HydrophobicContact CB-CB 4.2Å; R435-L457 WeakPolarHBondContact CD-O 3.4Å; D436-L457 HydrophobicContact CB-CD1 3.99Å; F455-L457 PolarHBondContact O-N 3.21Å; F455-L457 VanDerWaalsContact O-N 3.13Å
458	T	79.5	Confident	69.8	Low	0 Å²	0	56.3 Å²	56.3	0%	0	25%	0.252	C	S	.	.			trans	-65.1	136.4	-175.6	-60.1	0	0	0	0	111.1	I358 L432 I433 F455	I358-T458 HydrophobicContact CD1-CG2 4.27Å; I358-T458 WeakPolarHBondContact CD1-O 3.34Å; I358-T458 HydrophobicContact CG2-CG2 4.11Å; L432-T458 HydrophobicContact CB-CG2 4.15Å; L432-T458 HydrophobicContact CD2-CG2 4.14Å; I433-T458 VanDerWaalsContact O-CA 3.22Å; I433-T458 WeakPolarHBondContact O-CA 3.34Å; I433-T458 WeakPolarHBondContact O-CG2 3.31Å; F455-T458 WeakPolarHBondContact CA-OG1 3.25Å; F455-T458 HydrophobicContact CD1-CG2 3.91Å; F455-T458 VanDerWaalsContact CD1-OG1 3.3Å; F455-T458 WeakPolarHBondContact CD1-OG1 3.42Å; F455-T458 WeakPolarHBondContact O-CB 3.41Å; F455-T458 PolarHBondContact O-N 3.3Å
459	R	76.7	Confident	67.6	Low	18 Å²	18	53.5 Å²	53.5	7%	0.068	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.6	176.3	-57.7	-66.8	178	-91	0.9	110	I433 G456 N463	I433-R459 PolarHBondContact N-O 2.64Å; I433-R459 PolarHBondContact O-N 2.69Å; I433-R459 VanDerWaalsContact O-N 3.07Å; G456-R459 PolarHBondContact O-NH1 3.46Å; G456-R459 PolarHBondContact O-NH2 2.95Å; R459-N463 HydrophobicContact CB-CB 4.46Å
460	F	64.7	Low	65	Low	59 Å²	59	57.6 Å²	57.6	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	143.6	164.5	-65.3	-77.7	0	0	0	110	C431 L432 E462 N463	C431-F460 CarbonylContact O-C 3.54Å; C431-F460 WeakPolarHBondContact O-CA 3.4Å; L432-F460 HydrophobicContact CD2-CD1 3.62Å; L432-F460 HydrophobicContact CD2-CD2 4.46Å; L432-F460 HydrophobicContact CD2-CE1 3.7Å; L432-F460 HydrophobicContact CD2-CG 4.02Å; L432-F460 HydrophobicContact CD2-CZ 4.17Å; L432-F460 HydrophobicContact CG-CD1 4.38Å; L432-F460 HydrophobicContact CG-CE1 4.38Å; F460-E462 PolarHBondContact O-N 3.22Å; F460-E462 VanDerWaalsContact O-N 3.13Å; F460-N463 PolarHBondContact O-N 2.96Å
461	A	49.1	Very low	62.6	Low	50 Å²	50	59.4 Å²	59.4	41%	0.413	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25	179.9	0	0	0	0	0	113	C431 I433 N463	C431-A461 WeakPolarHBondContact O-CB 3.26Å; C431-A461 PolarHBondContact O-N 2.83Å; I433-A461 HydrophobicContact CD1-CB 3.91Å; I433-A461 HydrophobicContact CG1-CB 4.05Å; A461-N463 VanDerWaalsContact C-N 3.31Å
462	E	45.7	Very low	60.8	Low	138 Å²	138	70.8 Å²	70.8	65%	0.645	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.7	176.2	-62.4	172.9	-168	0	0	112.8	F460 Y464	F460-E462 PolarHBondContact O-N 3.22Å; F460-E462 VanDerWaalsContact O-N 3.13Å; E462-Y464 PolarHBondContact O-N 2.92Å
463	N	41.8	Very low	59.7	Low	33 Å²	33	73 Å²	73	18%	0.176	34%	0.344	C	S	.	.			trans	-92	88.8	-175.1	-68.3	-16.7	0	0	0	111	F67 R459 F460 A461 Y465	F67-N463 WeakPolarHBondContact CD2-OD1 3.42Å; F67-N463 VanDerWaalsContact CE2-OD1 3.29Å; F67-N463 WeakPolarHBondContact CE2-OD1 3.44Å; R459-N463 HydrophobicContact CB-CB 4.46Å; F460-N463 PolarHBondContact O-N 2.96Å; A461-N463 VanDerWaalsContact C-N 3.31Å; N463-Y465 PolarHBondContact O-N 2.7Å; N463-Y465 VanDerWaalsContact O-N 3.16Å
464	Y	36	Very low	59.3	Low	165 Å²	165	73.2 Å²	73.2	65%	0.647	34%	0.344	S	S	*	.			trans	-64.7	109.7	172.2	-172	-96	0	0	0	110.8	E462	E462-Y464 PolarHBondContact O-N 2.92Å
465	Y	37.1	Very low	59.6	Low	82 Å²	82	72.5 Å²	72.5	32%	0.322	34%	0.341	S	S	.	.			trans	-133	124	178.7	-175.8	-108.7	0	0	0	113.3	R435 N463 K467	R435-Y465 PolarHBondContact NH2-O 2.87Å; N463-Y465 PolarHBondContact O-N 2.7Å; N463-Y465 VanDerWaalsContact O-N 3.16Å; Y465-K467 HydrophobicContact CD1-CB 4.12Å; Y465-K467 HydrophobicContact CE1-CB 3.25Å; Y465-K467 HydrophobicContact CE2-CB 3.9Å; Y465-K467 WeakPolarHBondContact OH-CB 3.37Å; Y465-K467 WeakPolarHBondContact OH-CD 3.42Å
466	R	45.8	Very low	60.1	Low	163 Å²	163	73.5 Å²	73.5	62%	0.615	35%	0.345	S	S	*	.			trans	-105.7	17.1	-173.4	-157.5	179.6	65.9	-175.5	-3.3	115	K486	R466-K486 HydrophobicContact CG-CB 3.82Å; R466-K486 HydrophobicContact CG-CG 4.05Å
467	K	43.5	Very low	61.1	Low	115 Å²	115	74.5 Å²	74.5	50%	0.5	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-90.5	118.4	176.1	-147.1	179.9	-176.4	179.2	0	110.2	Y465	Y465-K467 HydrophobicContact CD1-CB 4.12Å; Y465-K467 HydrophobicContact CE1-CB 3.25Å; Y465-K467 HydrophobicContact CE2-CB 3.9Å; Y465-K467 WeakPolarHBondContact OH-CB 3.37Å; Y465-K467 WeakPolarHBondContact OH-CD 3.42Å
468	M	48.2	Very low	62	Low	48 Å²	48	73.8 Å²	73.8	24%	0.236	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-96.3	126.3	154.9	-77.4	-82.9	171.8	0	0	105.5	V473 L478 Y488	M468-V473 HydrophobicContact CB-CG2 4.42Å; M468-V473 HydrophobicContact CE-CG1 4.3Å; M468-V473 HydrophobicContact CG-CG2 4.45Å; M468-V473 HydrophobicContact SD-CG1 4.03Å; M468-V473 HydrophobicContact SD-CG2 4.15Å; M468-L478 HydrophobicContact CE-CD1 4.34Å; M468-Y488 HydrophobicContact CE-CE1 4.03Å; M468-Y488 WeakPolarHBondContact CE-OH 3.26Å
469	K	44.7	Very low	62.8	Low	58 Å²	58	73.8 Å²	73.8	25%	0.252	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-56.3	161.5	168.5	-79.7	179.8	164.1	166	0	109.5	A311 D348 E351 G471	A311-K469 PolarHBondContact O-NZ 3.43Å; D348-K469 WeakPolarHBondContact OD1-CE 2.84Å; D348-K469 IonicContact OD1-NZ 3.45Å; D348-K469 PolarHBondContact OD1-NZ 2.71Å; E351-K469 WeakPolarHBondContact OE2-CE 3.42Å; E351-K469 IonicContact OE2-NZ 3.35Å; E351-K469 PolarHBondContact OE2-NZ 2.84Å; K469-G471 PolarHBondContact O-N 2.82Å
470	N	40.4	Very low	63.6	Low	185 Å²	185	73.4 Å²	73.4	99%	0.989	34%	0.344	S	S	*	.	S	Bend	trans	-61.3	21	170.9	-67.8	-9.9	0	0	0	114.1
471	G	48.9	Very low	64.9	Low	39 Å²	39	71.6 Å²	71.6	40%	0.402	34%	0.336	S	S	.	.	S	Bend	trans	-92.6	176.8	179.3	0	0	0	0	0	113.2	K469 V473	K469-G471 PolarHBondContact O-N 2.82Å; G471-V473 PolarHBondContact O-N 2.57Å
472	R	61.3	Low	66.9	Low	257 Å²	257	69.2 Å²	69.2	97%	0.97	32%	0.317	S	S	*	.			trans	-61.8	105.7	173.9	-74	178.7	165.3	143.3	-2.6	109.9
473	V	74.3	Confident	68.9	Low	46 Å²	46	63 Å²	63	28%	0.279	29%	0.288	S	S	.	.			trans	-66.4	133.6	172.4	-177.7	0	0	0	0	108.9	M468 G471 L475 L478	M468-V473 HydrophobicContact CB-CG2 4.42Å; M468-V473 HydrophobicContact CE-CG1 4.3Å; M468-V473 HydrophobicContact CG-CG2 4.45Å; M468-V473 HydrophobicContact SD-CG1 4.03Å; M468-V473 HydrophobicContact SD-CG2 4.15Å; G471-V473 PolarHBondContact O-N 2.57Å; V473-L475 HydrophobicContact CB-CD2 4.03Å; V473-L475 HydrophobicContact CB-CG 4.25Å; V473-L475 HydrophobicContact CG1-CD2 3.58Å; V473-L475 HydrophobicContact CG1-CG 4.19Å; V473-L475 PolarHBondContact O-N 3.25Å; V473-L478 HydrophobicContact CG1-CD1 3.69Å
474	P	86.8	Confident	71	Confident	15 Å²	15	64.1 Å²	64.1	10%	0.097	30%	0.298	C	S	.	.			trans	-78.3	55.2	-177.5	34.7	-38.5	0	0	0	112	D436 R440 K476 W477 L478	D436-P474 WeakPolarHBondContact OD1-CG 3.45Å; R440-P474 VanDerWaalsContact NH2-CB 3.28Å; P474-K476 PolarHBondContact O-N 3.18Å; P474-W477 HydrophobicContact CB-CE3 3.95Å; P474-W477 PolarHBondContact O-N 3.42Å; P474-L478 HydrophobicContact CG-CD2 4.29Å; P474-L478 HydrophobicContact CG-CG 4.3Å; P474-L478 PolarHBondContact O-N 2.74Å
475	L	91.3	Very high	73.2	Confident	31 Å²	31	60.8 Å²	60.8	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-37.4	-169.8	-62.9	177.9	0	0	0	114	V473 W477 L478 L483 M517 I520 I521	V473-L475 HydrophobicContact CB-CD2 4.03Å; V473-L475 HydrophobicContact CB-CG 4.25Å; V473-L475 HydrophobicContact CG1-CD2 3.58Å; V473-L475 HydrophobicContact CG1-CG 4.19Å; V473-L475 PolarHBondContact O-N 3.25Å; L475-W477 VanDerWaalsContact C-N 3.26Å; L475-W477 PolarHBondContact O-N 2.94Å; L475-L478 PolarHBondContact O-N 2.93Å; L475-L483 HydrophobicContact CB-CD2 4.45Å; L475-L483 HydrophobicContact CD2-CD2 3.76Å; L475-M517 HydrophobicContact CB-CE 4.37Å; L475-M517 HydrophobicContact CD1-CE 3.93Å; L475-M517 HydrophobicContact CG-CE 4.41Å; L475-I520 HydrophobicContact CB-CG2 4.03Å; L475-I520 HydrophobicContact CD1-CG2 4Å; L475-I521 HydrophobicContact CD1-CD1 4.47Å; L475-I521 HydrophobicContact CD2-CD1 4.23Å; L475-I521 HydrophobicContact CD2-CG1 4.46Å
476	K	94.9	Very high	75.3	Confident	21 Å²	21	60.2 Å²	60.2	9%	0.091	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.4	-179.3	-67.6	-178	167	-157.7	0	114.4	P474 P511 Y512 M517 I520	P474-K476 PolarHBondContact O-N 3.18Å; K476-P511 HydrophobicContact CB-CB 4.29Å; K476-P511 VanDerWaalsContact CD-O 3.27Å; K476-P511 WeakPolarHBondContact CD-O 3.49Å; K476-P511 WeakPolarHBondContact CE-O 3.32Å; K476-P511 PolarHBondContact NZ-O 3.46Å; K476-Y512 HydrophobicContact CB-CD2 4.12Å; K476-Y512 HydrophobicContact CG-CD2 4.19Å; K476-Y512 PolarHBondContact NZ-O 2.87Å; K476-Y512 WeakPolarHBondContact O-CE2 3.25Å; K476-M517 HydrophobicContact CD-SD 4.27Å; K476-M517 HydrophobicContact CG-SD 4.21Å; K476-I520 HydrophobicContact CG-CD1 4.19Å; K476-I520 HydrophobicContact CG-CG1 4Å
477	W	96.9	Very high	77.2	Confident	24 Å²	24	55.6 Å²	55.6	9%	0.091	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-17.6	179.7	-67	-99.3	0	0	0	112.6	A438 P474 L475 S496 I499 E503 P511	A438-W477 HydrophobicContact CB-CD2 4.36Å; A438-W477 HydrophobicContact CB-CG 4.15Å; P474-W477 HydrophobicContact CB-CE3 3.95Å; P474-W477 PolarHBondContact O-N 3.42Å; L475-W477 VanDerWaalsContact C-N 3.26Å; L475-W477 PolarHBondContact O-N 2.94Å; W477-S496 PolarHBondContact O-OG 3.4Å; W477-I499 VanDerWaalsContact CD1-CG2 3.4Å; W477-I499 HydrophobicContact CD2-CG2 4.46Å; W477-I499 HydrophobicContact CG-CG2 3.97Å; W477-E503 WeakPolarHBondContact CZ2-OE1 3.41Å; W477-E503 PolarHBondContact NE1-OE2 2.74Å; W477-P511 HydrophobicContact CH2-CG 4.48Å; W477-P511 HydrophobicContact CZ2-CG 3.84Å
478	L	94.1	Very high	79.2	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.259	C	S	.	.	S	Bend	trans	-75.2	142.4	-175.4	-67.4	-178.6	0	0	0	112.2	M468 V473 P474 L475 L483 Y488 W495	M468-L478 HydrophobicContact CE-CD1 4.34Å; V473-L478 HydrophobicContact CG1-CD1 3.69Å; P474-L478 HydrophobicContact CG-CD2 4.29Å; P474-L478 HydrophobicContact CG-CG 4.3Å; P474-L478 PolarHBondContact O-N 2.74Å; L475-L478 PolarHBondContact O-N 2.93Å; L478-L483 HydrophobicContact CB-CD2 3.73Å; L478-L483 HydrophobicContact CB-CG 3.89Å; L478-L483 HydrophobicContact CD1-CD2 3.96Å; L478-L483 HydrophobicContact CG-CD2 4.46Å; L478-Y488 HydrophobicContact CD2-CE1 3.92Å; L478-W495 PolarHBondContact O-NE1 3.14Å
479	A	95.6	Very high	81.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.			trans	-69.5	156.5	172.5	0	0	0	0	0	111.5	E481 S482 L483 W495	A479-E481 VanDerWaalsContact C-N 3.3Å; A479-E481 WeakPolarHBondContact CB-OE1 3.47Å; A479-E481 WeakPolarHBondContact CB-OE2 3.5Å; A479-E481 PolarHBondContact O-N 3.41Å; A479-S482 CarbonylContact O-C 3.57Å; A479-S482 WeakPolarHBondContact O-CA 2.96Å; A479-S482 WeakPolarHBondContact O-CB 3.35Å; A479-S482 PolarHBondContact O-N 3.06Å; A479-L483 WeakPolarHBondContact O-CG 3.38Å; A479-L483 PolarHBondContact O-N 3.39Å; A479-W495 HydrophobicContact CB-CB 3.77Å; A479-W495 HydrophobicContact CB-CD2 4.05Å; A479-W495 HydrophobicContact CB-CE3 4.48Å; A479-W495 HydrophobicContact CB-CG 3.71Å
480	P	94.3	Very high	83.7	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-52.9	-43.7	-179.8	-28.8	36.9	0	0	0	113.5	S482 L483 S484 W495 I524 I550	P480-S482 VanDerWaalsContact C-N 3.31Å; P480-S482 PolarHBondContact O-N 3.16Å; P480-L483 WeakPolarHBondContact O-CB 3.42Å; P480-L483 PolarHBondContact O-N 3.47Å; P480-L483 VanDerWaalsContact O-N 3.15Å; P480-S484 PolarHBondContact O-N 3.18Å; P480-S484 PolarHBondContact O-OG 3.08Å; P480-S484 VanDerWaalsContact O-OG 3.05Å; P480-W495 VanDerWaalsContact CD-CH2 3.48Å; P480-W495 HydrophobicContact CG-CE3 4.29Å; P480-W495 HydrophobicContact CG-CH2 3.51Å; P480-W495 HydrophobicContact CG-CZ2 4.16Å; P480-W495 HydrophobicContact CG-CZ3 3.6Å; P480-I524 HydrophobicContact CG-CG2 3.98Å; P480-I550 HydrophobicContact CB-CD1 3.78Å; P480-I550 HydrophobicContact CG-CD1 3.7Å
481	E	91.9	Very high	86.3	Confident	21 Å²	21	44 Å²	44	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-27.6	177.4	70.9	-81.1	-168.4	0	0	113.4	A479 D485 K486 I487 P552 R555	A479-E481 VanDerWaalsContact C-N 3.3Å; A479-E481 WeakPolarHBondContact CB-OE1 3.47Å; A479-E481 WeakPolarHBondContact CB-OE2 3.5Å; A479-E481 PolarHBondContact O-N 3.41Å; E481-D485 CarbonylContact O-C 3.59Å; E481-D485 PolarHBondContact O-N 3.36Å; E481-K486 PolarHBondContact O-N 2.84Å; E481-I487 HydrophobicContact CB-CB 4.31Å; E481-I487 HydrophobicContact CG-CB 4.16Å; E481-I487 HydrophobicContact CG-CG2 4.21Å; E481-I487 PolarHBondContact O-N 2.89Å; E481-I487 VanDerWaalsContact O-N 3.13Å; E481-P552 HydrophobicContact CG-CG 4.4Å; E481-R555 IonicContact OE1-CZ 2.74Å; E481-R555 IonicContact OE1-NH1 3.79Å; E481-R555 PolarHBondContact OE1-NH1 2.93Å; E481-R555 IonicContact OE1-NH2 3.93Å; E481-R555 PolarHBondContact OE1-NH2 3.04Å; E481-R555 IonicContact OE2-CZ 3.58Å; E481-R555 IonicContact OE2-NH1 2.57Å; E481-R555 IonicContact OE2-NH2 3.65Å; E481-R555 PolarHBondContact OE2-NH2 3.03Å
482	S	90.5	Very high	88.6	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-76.2	-28.9	172.8	-51.8	0	0	0	0	111.6	A479 P480 K486 I487 S492	A479-S482 CarbonylContact O-C 3.57Å; A479-S482 WeakPolarHBondContact O-CA 2.96Å; A479-S482 WeakPolarHBondContact O-CB 3.35Å; A479-S482 PolarHBondContact O-N 3.06Å; P480-S482 VanDerWaalsContact C-N 3.31Å; P480-S482 PolarHBondContact O-N 3.16Å; S482-K486 WeakPolarHBondContact O-CA 3.41Å; S482-K486 WeakPolarHBondContact O-CD 3.45Å; S482-I487 VanDerWaalsContact CA-O 3.23Å; S482-I487 WeakPolarHBondContact CA-O 3.43Å; S482-I487 WeakPolarHBondContact CB-O 3.29Å; S482-I487 PolarHBondContact N-O 3.01Å; S482-I487 PolarHBondContact OG-O 2.93Å; S482-S492 WeakPolarHBondContact OG-CB 3.21Å
483	L	88.3	Confident	90.3	Very high	7 Å²	7	30 Å²	30	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-74.3	-51.7	175.7	-68.6	171.2	0	0	0	111.4	L475 L478 A479 P480 K486 I521 I524	L475-L483 HydrophobicContact CB-CD2 4.45Å; L475-L483 HydrophobicContact CD2-CD2 3.76Å; L478-L483 HydrophobicContact CB-CD2 3.73Å; L478-L483 HydrophobicContact CB-CG 3.89Å; L478-L483 HydrophobicContact CD1-CD2 3.96Å; L478-L483 HydrophobicContact CG-CD2 4.46Å; A479-L483 WeakPolarHBondContact O-CG 3.38Å; A479-L483 PolarHBondContact O-N 3.39Å; P480-L483 WeakPolarHBondContact O-CB 3.42Å; P480-L483 PolarHBondContact O-N 3.47Å; P480-L483 VanDerWaalsContact O-N 3.15Å; L483-K486 PolarHBondContact O-NZ 2.96Å; L483-I521 HydrophobicContact CB-CG2 4.39Å; L483-I521 HydrophobicContact CD2-CG1 4.28Å; L483-I524 HydrophobicContact CD1-CB 4.25Å; L483-I524 HydrophobicContact CD1-CD1 4.11Å; L483-I524 HydrophobicContact CD1-CG2 3.93Å
484	S	85.3	Confident	91.5	Very high	56 Å²	56	27.8 Å²	27.8	39%	0.392	14%	0.144	S	C	.	.	H	α-helix	trans	-72.6	-60.3	-178.6	51.1	0	0	0	0	112.5	P480	P480-S484 PolarHBondContact O-N 3.18Å; P480-S484 PolarHBondContact O-OG 3.08Å; P480-S484 VanDerWaalsContact O-OG 3.05Å
485	D	82.7	Confident	92	Very high	96 Å²	96	27.1 Å²	27.1	51%	0.513	14%	0.139	S	C	.	.	S	Bend	trans	-107.8	1.3	-162.3	-54.9	-58.5	0	0	0	112.5	E481 I487	E481-D485 CarbonylContact O-C 3.59Å; E481-D485 PolarHBondContact O-N 3.36Å; D485-I487 HydrophobicContact CB-CD1 3.68Å; D485-I487 HydrophobicContact CB-CG1 3.79Å; D485-I487 PolarHBondContact O-N 2.78Å
486	K	82.5	Confident	92.4	Very high	70 Å²	70	25.8 Å²	25.8	30%	0.304	13%	0.133	S	C	.	.			trans	55.3	33.5	-174.7	-50.7	-49.9	-178	-157.6	0	112	R466 E481 S482 L483 Y488	R466-K486 HydrophobicContact CG-CB 3.82Å; R466-K486 HydrophobicContact CG-CG 4.05Å; E481-K486 PolarHBondContact O-N 2.84Å; S482-K486 WeakPolarHBondContact O-CA 3.41Å; S482-K486 WeakPolarHBondContact O-CD 3.45Å; L483-K486 PolarHBondContact O-NZ 2.96Å; K486-Y488 HydrophobicContact CB-CE2 4.21Å; K486-Y488 WeakPolarHBondContact O-CD2 3.45Å; K486-Y488 WeakPolarHBondContact O-CE2 3.44Å
487	I	84.5	Confident	92.6	Very high	66 Å²	66	24.8 Å²	24.8	34%	0.338	13%	0.129	S	C	.	.			trans	-83.8	124.1	175.5	-65.3	171.4	0	0	0	108.4	E481 S482 D485 T489	E481-I487 HydrophobicContact CB-CB 4.31Å; E481-I487 HydrophobicContact CG-CB 4.16Å; E481-I487 HydrophobicContact CG-CG2 4.21Å; E481-I487 PolarHBondContact O-N 2.89Å; E481-I487 VanDerWaalsContact O-N 3.13Å; S482-I487 VanDerWaalsContact CA-O 3.23Å; S482-I487 WeakPolarHBondContact CA-O 3.43Å; S482-I487 WeakPolarHBondContact CB-O 3.29Å; S482-I487 PolarHBondContact N-O 3.01Å; S482-I487 PolarHBondContact OG-O 2.93Å; D485-I487 HydrophobicContact CB-CD1 3.68Å; D485-I487 HydrophobicContact CB-CG1 3.79Å; D485-I487 PolarHBondContact O-N 2.78Å; I487-T489 HydrophobicContact CG2-CG2 3.99Å
488	Y	86.2	Confident	92.7	Very high	28 Å²	28	23.7 Å²	23.7	11%	0.11	12%	0.124	C	C	.	.			trans	-118.7	131.3	174.1	-57.3	-86.8	0	0	0	108.6	I433 R435 M468 L478 K486 S492	I433-Y488 WeakPolarHBondContact CD1-O 3.25Å; R435-Y488 HydrophobicContact CB-CD1 4.27Å; R435-Y488 HydrophobicContact CG-CD1 3.97Å; R435-Y488 HydrophobicContact CG-CG 4.08Å; M468-Y488 HydrophobicContact CE-CE1 4.03Å; M468-Y488 WeakPolarHBondContact CE-OH 3.26Å; L478-Y488 HydrophobicContact CD2-CE1 3.92Å; K486-Y488 HydrophobicContact CB-CE2 4.21Å; K486-Y488 WeakPolarHBondContact O-CD2 3.45Å; K486-Y488 WeakPolarHBondContact O-CE2 3.44Å; Y488-S492 WeakPolarHBondContact CA-OG 3.28Å
489	T	90.9	Very high	92.9	Very high	48 Å²	48	23.5 Å²	23.5	29%	0.294	12%	0.124	S	C	.	.			trans	-144.7	169.4	179.4	63.6	0	0	0	0	109.2	I433 I487 K491 S492 D493	I433-T489 WeakPolarHBondContact CG2-O 3.48Å; I487-T489 HydrophobicContact CG2-CG2 3.99Å; T489-K491 PolarHBondContact O-N 2.79Å; T489-K491 PolarHBondContact OG1-N 3.17Å; T489-S492 PolarHBondContact N-OG 3.3Å; T489-S492 PolarHBondContact O-N 3.1Å; T489-S492 PolarHBondContact O-OG 3.07Å; T489-S492 PolarHBondContact OG1-N 3.39Å; T489-S492 VanDerWaalsContact OG1-N 3.12Å; T489-D493 PolarHBondContact O-N 3.33Å; T489-D493 VanDerWaalsContact O-N 3.14Å
490	I	95.1	Very high	93	Very high	33 Å²	33	23.5 Å²	23.5	17%	0.169	12%	0.124	C	C	.	.	H	α-helix	trans	-55.4	-34	169.6	-58.4	171.3	0	0	0	110.3	E428 I433 S492 D493 V494 F558	E428-I490 HydrophobicContact CB-CD1 4.38Å; E428-I490 HydrophobicContact CB-CG2 4.01Å; E428-I490 HydrophobicContact CG-CD1 4.1Å; E428-I490 HydrophobicContact CG-CG2 3.95Å; E428-I490 WeakPolarHBondContact OE1-CG2 3.25Å; I433-I490 HydrophobicContact CG1-CG1 4.24Å; I490-S492 PolarHBondContact O-N 3.29Å; I490-D493 WeakPolarHBondContact O-CB 3.47Å; I490-D493 PolarHBondContact O-N 2.83Å; I490-D493 VanDerWaalsContact O-N 3.15Å; I490-V494 WeakPolarHBondContact O-CG2 3.3Å; I490-V494 PolarHBondContact O-N 2.98Å; I490-F558 HydrophobicContact CG2-CD2 3.93Å; I490-F558 HydrophobicContact CG2-CE2 3.99Å
491	K	97	Very high	93.2	Very high	53 Å²	53	23.1 Å²	23.1	23%	0.23	12%	0.121	C	C	.	.	H	α-helix	trans	-71.6	-25.6	176	-63.2	-65	-176.1	173.3	0	113.9	T489 V494 W495 P552 R555 L556	T489-K491 PolarHBondContact O-N 2.79Å; T489-K491 PolarHBondContact OG1-N 3.17Å; K491-V494 HydrophobicContact CD-CG2 4.48Å; K491-V494 PolarHBondContact O-N 2.89Å; K491-W495 PolarHBondContact O-N 3.29Å; K491-P552 HydrophobicContact CB-CB 3.86Å; K491-P552 WeakPolarHBondContact CD-O 3.39Å; K491-P552 HydrophobicContact CG-CB 4.44Å; K491-P552 WeakPolarHBondContact CG-O 3.46Å; K491-R555 HydrophobicContact CD-CB 4.25Å; K491-R555 PolarHBondContact NZ-O 3.36Å; K491-R555 WeakPolarHBondContact O-CD 3.23Å; K491-R555 PolarHBondContact O-NH1 3.26Å; K491-L556 PolarHBondContact NZ-O 3.21Å
492	S	95.8	Very high	93.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-74.2	-29.1	168.5	66.1	0	0	0	0	112	S482 Y488 T489 I490 W495 S496	S482-S492 WeakPolarHBondContact OG-CB 3.21Å; Y488-S492 WeakPolarHBondContact CA-OG 3.28Å; T489-S492 PolarHBondContact N-OG 3.3Å; T489-S492 PolarHBondContact O-N 3.1Å; T489-S492 PolarHBondContact O-OG 3.07Å; T489-S492 PolarHBondContact OG1-N 3.39Å; T489-S492 VanDerWaalsContact OG1-N 3.12Å; I490-S492 PolarHBondContact O-N 3.29Å; S492-W495 WeakPolarHBondContact O-CB 3.37Å; S492-W495 PolarHBondContact O-N 3.25Å; S492-S496 PolarHBondContact O-N 3.04Å; S492-S496 VanDerWaalsContact O-N 3.16Å; S492-S496 PolarHBondContact O-OG 2.85Å
493	D	97.7	Very high	93.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.6	-34.6	169.6	-73.5	-19.3	0	0	0	111.5	M424 I433 H434 R435 T489 I490 W495 S496 F497 F558	M424-D493 HydrophobicContact CE-CB 3.85Å; I433-D493 WeakPolarHBondContact CA-OD2 3.43Å; I433-D493 VanDerWaalsContact CG2-OD2 3.26Å; I433-D493 WeakPolarHBondContact CG2-OD2 3.37Å; H434-D493 PolarHBondContact N-OD2 3.28Å; R435-D493 WeakPolarHBondContact CA-OD1 3.45Å; R435-D493 PolarHBondContact N-OD1 2.88Å; T489-D493 PolarHBondContact O-N 3.33Å; T489-D493 VanDerWaalsContact O-N 3.14Å; I490-D493 WeakPolarHBondContact O-CB 3.47Å; I490-D493 PolarHBondContact O-N 2.83Å; I490-D493 VanDerWaalsContact O-N 3.15Å; D493-W495 VanDerWaalsContact C-N 3.3Å; D493-W495 PolarHBondContact O-N 3Å; D493-S496 CarbonylContact O-C 3.58Å; D493-S496 WeakPolarHBondContact O-CA 3.23Å; D493-S496 WeakPolarHBondContact O-CB 3.47Å; D493-S496 PolarHBondContact O-N 2.81Å; D493-S496 VanDerWaalsContact O-N 3.11Å; D493-F497 WeakPolarHBondContact O-CB 3.36Å; D493-F497 PolarHBondContact O-N 2.96Å; D493-F558 HydrophobicContact CB-CE2 4.07Å; D493-F558 HydrophobicContact CB-CZ 4.07Å
494	V	98.7	Very high	94.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-41.3	172.2	169.2	0	0	0	0	111.5	I490 K491 S496 F497 G498 C547 R555 L556 F558 L561	I490-V494 WeakPolarHBondContact O-CG2 3.3Å; I490-V494 PolarHBondContact O-N 2.98Å; K491-V494 HydrophobicContact CD-CG2 4.48Å; K491-V494 PolarHBondContact O-N 2.89Å; V494-S496 VanDerWaalsContact C-N 3.35Å; V494-F497 WeakPolarHBondContact O-CB 3.24Å; V494-F497 PolarHBondContact O-N 3.01Å; V494-G498 PolarHBondContact O-N 3.15Å; V494-C547 HydrophobicContact CG1-CB 4.12Å; V494-C547 WeakPolarHBondContact O-CB 3.22Å; V494-R555 HydrophobicContact CG1-CB 3.99Å; V494-L556 WeakPolarHBondContact CG1-O 3.46Å; V494-L556 WeakPolarHBondContact CG2-O 3.28Å; V494-F558 HydrophobicContact CG2-CD2 4.01Å; V494-F558 HydrophobicContact CG2-CE1 4.34Å; V494-F558 HydrophobicContact CG2-CE2 3.69Å; V494-F558 HydrophobicContact CG2-CG 4.46Å; V494-F558 HydrophobicContact CG2-CZ 3.87Å; V494-L561 HydrophobicContact CG1-CD1 4.11Å; V494-L561 HydrophobicContact CG2-CD1 4.46Å
495	W	98.6	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-47.6	172.4	173.9	-73.7	0	0	0	111.4	L478 A479 P480 K491 S492 D493 F497 G498 I499 I524 C547 W548	L478-W495 PolarHBondContact O-NE1 3.14Å; A479-W495 HydrophobicContact CB-CB 3.77Å; A479-W495 HydrophobicContact CB-CD2 4.05Å; A479-W495 HydrophobicContact CB-CE3 4.48Å; A479-W495 HydrophobicContact CB-CG 3.71Å; P480-W495 VanDerWaalsContact CD-CH2 3.48Å; P480-W495 HydrophobicContact CG-CE3 4.29Å; P480-W495 HydrophobicContact CG-CH2 3.51Å; P480-W495 HydrophobicContact CG-CZ2 4.16Å; P480-W495 HydrophobicContact CG-CZ3 3.6Å; K491-W495 PolarHBondContact O-N 3.29Å; S492-W495 WeakPolarHBondContact O-CB 3.37Å; S492-W495 PolarHBondContact O-N 3.25Å; D493-W495 VanDerWaalsContact C-N 3.3Å; D493-W495 PolarHBondContact O-N 3Å; W495-F497 VanDerWaalsContact C-N 3.26Å; W495-F497 PolarHBondContact O-N 3.2Å; W495-G498 PolarHBondContact O-N 2.86Å; W495-G498 VanDerWaalsContact O-N 3.08Å; W495-I499 PolarHBondContact O-N 3.4Å; W495-I524 HydrophobicContact CH2-CG2 3.87Å; W495-I524 HydrophobicContact CZ2-CG2 3.62Å; W495-C547 WeakPolarHBondContact CA-O 3.48Å; W495-W548 AromaticContact CD2-CD1 3.85Å; W495-W548 HydrophobicContact CE3-CB 4.13Å; W495-W548 HydrophobicContact CH2-CB 4.36Å; W495-W548 HydrophobicContact CZ3-CB 3.98Å; W495-W548 WeakPolarHBondContact CZ3-O 3.44Å; W495-W548 PolarHBondContact O-NE1 3.43Å
496	S	98.6	Very high	95.6	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.028	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-37.2	178.5	-54.4	0	0	0	0	111.5	W477 S492 D493 V494 I499 L500	W477-S496 PolarHBondContact O-OG 3.4Å; S492-S496 PolarHBondContact O-N 3.04Å; S492-S496 VanDerWaalsContact O-N 3.16Å; S492-S496 PolarHBondContact O-OG 2.85Å; D493-S496 CarbonylContact O-C 3.58Å; D493-S496 WeakPolarHBondContact O-CA 3.23Å; D493-S496 WeakPolarHBondContact O-CB 3.47Å; D493-S496 PolarHBondContact O-N 2.81Å; D493-S496 VanDerWaalsContact O-N 3.11Å; V494-S496 VanDerWaalsContact C-N 3.35Å; S496-I499 WeakPolarHBondContact O-CB 3.35Å; S496-I499 PolarHBondContact O-N 3.14Å; S496-L500 PolarHBondContact O-N 2.86Å
497	F	98.9	Very high	96.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-41.8	173.2	177.4	-96.5	0	0	0	112	V420 A421 L437 D493 V494 W495 I499 L500 L501 F558 L561 L565	V420-F497 HydrophobicContact CB-CE2 4.18Å; V420-F497 HydrophobicContact CG1-CD2 4.1Å; V420-F497 HydrophobicContact CG1-CE2 4.07Å; A421-F497 HydrophobicContact CB-CE2 3.86Å; A421-F497 HydrophobicContact CB-CZ 3.73Å; L437-F497 HydrophobicContact CD2-CB 3.74Å; L437-F497 HydrophobicContact CD2-CD2 4.29Å; D493-F497 WeakPolarHBondContact O-CB 3.36Å; D493-F497 PolarHBondContact O-N 2.96Å; V494-F497 WeakPolarHBondContact O-CB 3.24Å; V494-F497 PolarHBondContact O-N 3.01Å; W495-F497 VanDerWaalsContact C-N 3.26Å; W495-F497 PolarHBondContact O-N 3.2Å; F497-I499 VanDerWaalsContact C-N 3.29Å; F497-I499 PolarHBondContact O-N 2.94Å; F497-L500 WeakPolarHBondContact O-CB 3.35Å; F497-L500 PolarHBondContact O-N 3.43Å; F497-L500 VanDerWaalsContact O-N 3.15Å; F497-L501 PolarHBondContact O-N 3.39Å; F497-F558 HydrophobicContact CB-CE1 3.75Å; F497-F558 HydrophobicContact CB-CZ 4.16Å; F497-F558 HydrophobicContact CD1-CE1 4.49Å; F497-F558 HydrophobicContact CD2-CE1 4.07Å; F497-F558 AromaticContact CG-CE1 3.84Å; F497-F558 HydrophobicContact CG-CE1 3.84Å; F497-L561 HydrophobicContact CD1-CD1 3.73Å; F497-L561 HydrophobicContact CE1-CD1 4.01Å; F497-L561 HydrophobicContact CE1-CD2 4.27Å; F497-L565 HydrophobicContact CE1-CD1 4.3Å; F497-L565 HydrophobicContact CZ-CD1 3.84Å
498	G	98.8	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.1	-41.7	173.2	0	0	0	0	0	112.2	V494 W495 L501 W502 W548	V494-G498 PolarHBondContact O-N 3.15Å; W495-G498 PolarHBondContact O-N 2.86Å; W495-G498 VanDerWaalsContact O-N 3.08Å; G498-L501 PolarHBondContact O-N 3.36Å; G498-W502 PolarHBondContact O-N 3.42Å; G498-W548 VanDerWaalsContact C-CZ2 3.46Å; G498-W548 VanDerWaalsContact O-CZ2 3.24Å; G498-W548 WeakPolarHBondContact O-CZ2 3.22Å
499	I	98.8	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-41	175.1	-56.5	-67	0	0	0	111.1	W477 W495 S496 F497 W502 E503 P511 Y512 N530 W548	W477-I499 VanDerWaalsContact CD1-CG2 3.4Å; W477-I499 HydrophobicContact CD2-CG2 4.46Å; W477-I499 HydrophobicContact CG-CG2 3.97Å; W495-I499 PolarHBondContact O-N 3.4Å; S496-I499 WeakPolarHBondContact O-CB 3.35Å; S496-I499 PolarHBondContact O-N 3.14Å; F497-I499 VanDerWaalsContact C-N 3.29Å; F497-I499 PolarHBondContact O-N 2.94Å; I499-W502 WeakPolarHBondContact O-CB 3.22Å; I499-W502 PolarHBondContact O-N 2.84Å; I499-E503 PolarHBondContact O-N 2.85Å; I499-P511 HydrophobicContact CG2-CB 3.87Å; I499-P511 HydrophobicContact CG2-CG 3.43Å; I499-P511 VanDerWaalsContact CG2-CG 3.43Å; I499-Y512 HydrophobicContact CD1-CE2 3.94Å; I499-N530 VanDerWaalsContact CD1-ND2 3.31Å; I499-N530 WeakPolarHBondContact CD1-ND2 3.49Å; I499-W548 HydrophobicContact CD1-CZ2 3.8Å
500	L	98.8	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.6	-43.3	175	178.9	159.5	0	0	0	111.6	V420 L437 I442 S496 F497 W502 E503 I504	V420-L500 HydrophobicContact CB-CD2 4.44Å; V420-L500 HydrophobicContact CG1-CD1 3.88Å; V420-L500 HydrophobicContact CG1-CD2 4.2Å; V420-L500 HydrophobicContact CG2-CD2 4.42Å; L437-L500 HydrophobicContact CD1-CD1 3.8Å; L437-L500 HydrophobicContact CG-CD1 3.84Å; I442-L500 HydrophobicContact CD1-CD1 4.02Å; I442-L500 HydrophobicContact CG1-CD1 3.73Å; S496-L500 PolarHBondContact O-N 2.86Å; F497-L500 WeakPolarHBondContact O-CB 3.35Å; F497-L500 PolarHBondContact O-N 3.43Å; F497-L500 VanDerWaalsContact O-N 3.15Å; L500-W502 VanDerWaalsContact C-N 3.27Å; L500-W502 PolarHBondContact O-N 3.01Å; L500-E503 WeakPolarHBondContact O-CA 3.46Å; L500-E503 WeakPolarHBondContact O-CB 3.49Å; L500-E503 PolarHBondContact O-N 2.83Å; L500-E503 VanDerWaalsContact O-N 3.08Å; L500-I504 HydrophobicContact CD2-CD1 3.46Å; L500-I504 VanDerWaalsContact CD2-CD1 3.46Å; L500-I504 HydrophobicContact CD2-CG1 4.14Å; L500-I504 WeakPolarHBondContact O-CG1 3.17Å; L500-I504 PolarHBondContact O-N 2.86Å
501	L	98.6	Very high	97.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61	-41.3	176.2	-164.4	62.9	0	0	0	110	F497 G498 E503 I504 F505 I543 M544	F497-L501 PolarHBondContact O-N 3.39Å; G498-L501 PolarHBondContact O-N 3.36Å; L501-E503 PolarHBondContact O-N 3.25Å; L501-I504 WeakPolarHBondContact O-CB 3.45Å; L501-I504 PolarHBondContact O-N 3.35Å; L501-F505 HydrophobicContact CD1-CD2 4.02Å; L501-F505 HydrophobicContact CD1-CE2 3.72Å; L501-F505 HydrophobicContact CG-CD2 4.05Å; L501-F505 HydrophobicContact CG-CE2 4.09Å; L501-F505 WeakPolarHBondContact O-CD2 3.37Å; L501-F505 PolarHBondContact O-N 3.39Å; L501-I543 HydrophobicContact CD2-CG2 4.18Å; L501-M544 HydrophobicContact CB-CE 4.22Å; L501-M544 HydrophobicContact CB-CG 4.24Å; L501-M544 HydrophobicContact CD2-CE 4.14Å; L501-M544 HydrophobicContact CD2-CG 3.81Å; L501-M544 HydrophobicContact CG-CE 3.74Å; L501-M544 HydrophobicContact CG-CG 4.19Å
502	W	98.7	Very high	97.5	Very high	16 Å²	16	7.1 Å²	7.1	6%	0.061	5%	0.045	C	C	.	.	H	α-helix	trans	-61.1	-42.1	172.1	-171.9	95.6	0	0	0	112.6	G498 I499 L500 I504 F505 T506 S510 P511 N530 E531 P533 M544 W548	G498-W502 PolarHBondContact O-N 3.42Å; I499-W502 WeakPolarHBondContact O-CB 3.22Å; I499-W502 PolarHBondContact O-N 2.84Å; L500-W502 VanDerWaalsContact C-N 3.27Å; L500-W502 PolarHBondContact O-N 3.01Å; W502-I504 VanDerWaalsContact C-N 3.3Å; W502-I504 PolarHBondContact O-N 3.4Å; W502-F505 PolarHBondContact O-N 3.47Å; W502-T506 HydrophobicContact CD2-CG2 3.81Å; W502-T506 HydrophobicContact CE3-CG2 4Å; W502-T506 HydrophobicContact CH2-CG2 3.8Å; W502-T506 HydrophobicContact CZ2-CG2 3.61Å; W502-T506 HydrophobicContact CZ3-CG2 3.97Å; W502-T506 WeakPolarHBondContact CZ3-OG1 3.46Å; W502-T506 WeakPolarHBondContact O-CB 3.37Å; W502-T506 WeakPolarHBondContact O-CG2 3.37Å; W502-T506 PolarHBondContact O-N 2.82Å; W502-T506 PolarHBondContact O-OG1 2.85Å; W502-S510 WeakPolarHBondContact CH2-O 3.46Å; W502-S510 WeakPolarHBondContact CZ3-O 3.47Å; W502-P511 HydrophobicContact CE3-CB 4.37Å; W502-P511 HydrophobicContact CE3-CG 4.31Å; W502-P511 VanDerWaalsContact CZ3-CA 3.49Å; W502-P511 HydrophobicContact CZ3-CB 4.38Å; W502-P511 HydrophobicContact CZ3-CG 4.41Å; W502-N530 HydrophobicContact CD2-CB 4.13Å; W502-N530 HydrophobicContact CG-CB 3.97Å; W502-N530 HydrophobicContact CZ2-CB 4.42Å; W502-E531 PolarHBondContact NE1-O 3.49Å; W502-P533 VanDerWaalsContact CD1-CG 3.46Å; W502-P533 HydrophobicContact CG-CG 4.12Å; W502-M544 HydrophobicContact CB-SD 4.18Å; W502-W548 HydrophobicContact CB-CH2 4.1Å; W502-W548 HydrophobicContact CB-CZ2 4.09Å; W502-W548 HydrophobicContact CG-CH2 4.33Å
503	E	98.5	Very high	97.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.9	-40	173.9	-70.1	-174	102.8	0	0	111.6	K393 A439 W477 I499 L500 L501 T506 L507 G508 P511	K393-E503 IonicContact NZ-OE1 3.91Å; A439-E503 HydrophobicContact CB-CB 3.93Å; A439-E503 HydrophobicContact CB-CG 4.45Å; A439-E503 PolarHBondContact N-OE2 2.92Å; W477-E503 WeakPolarHBondContact CZ2-OE1 3.41Å; W477-E503 PolarHBondContact NE1-OE2 2.74Å; I499-E503 PolarHBondContact O-N 2.85Å; L500-E503 WeakPolarHBondContact O-CA 3.46Å; L500-E503 WeakPolarHBondContact O-CB 3.49Å; L500-E503 PolarHBondContact O-N 2.83Å; L500-E503 VanDerWaalsContact O-N 3.08Å; L501-E503 PolarHBondContact O-N 3.25Å; E503-T506 PolarHBondContact O-OG1 3.38Å; E503-L507 PolarHBondContact O-N 3.47Å; E503-G508 WeakPolarHBondContact O-CA 3.32Å; E503-G508 PolarHBondContact O-N 3.35Å; E503-P511 HydrophobicContact CG-CG 3.91Å
504	I	98.2	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-53.9	176.1	-69.1	172.6	0	0	0	110.6	L392 L396 L413 F416 L500 L501 W502 T506 L507	L392-I504 HydrophobicContact CD2-CD1 4.13Å; L392-I504 HydrophobicContact CD2-CG1 3.96Å; L396-I504 HydrophobicContact CD1-CG1 4.44Å; L413-I504 HydrophobicContact CB-CG2 3.92Å; L413-I504 HydrophobicContact CD2-CG2 3.78Å; L413-I504 HydrophobicContact CG-CG2 4.37Å; F416-I504 HydrophobicContact CB-CD1 3.99Å; F416-I504 HydrophobicContact CB-CG2 4.23Å; L500-I504 HydrophobicContact CD2-CD1 3.46Å; L500-I504 VanDerWaalsContact CD2-CD1 3.46Å; L500-I504 HydrophobicContact CD2-CG1 4.14Å; L500-I504 WeakPolarHBondContact O-CG1 3.17Å; L500-I504 PolarHBondContact O-N 2.86Å; L501-I504 WeakPolarHBondContact O-CB 3.45Å; L501-I504 PolarHBondContact O-N 3.35Å; W502-I504 VanDerWaalsContact C-N 3.3Å; W502-I504 PolarHBondContact O-N 3.4Å; I504-T506 PolarHBondContact O-N 2.88Å; I504-L507 PolarHBondContact O-N 3.04Å
505	F	97.3	Very high	96.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-73	-10.3	-175.7	-81.6	-88.2	0	0	0	114.3	L413 L414 L501 W502 P533 L535 A536 I540 M544	L413-F505 HydrophobicContact CB-CD1 4.37Å; L413-F505 HydrophobicContact CB-CE1 3.94Å; L413-F505 HydrophobicContact CB-CE2 4.3Å; L413-F505 HydrophobicContact CB-CZ 3.89Å; L413-F505 HydrophobicContact CD1-CD1 4.11Å; L413-F505 HydrophobicContact CD1-CE1 4.33Å; L414-F505 HydrophobicContact CD2-CZ 4.14Å; L414-F505 HydrophobicContact CG-CZ 4.1Å; L501-F505 HydrophobicContact CD1-CD2 4.02Å; L501-F505 HydrophobicContact CD1-CE2 3.72Å; L501-F505 HydrophobicContact CG-CD2 4.05Å; L501-F505 HydrophobicContact CG-CE2 4.09Å; L501-F505 WeakPolarHBondContact O-CD2 3.37Å; L501-F505 PolarHBondContact O-N 3.39Å; W502-F505 PolarHBondContact O-N 3.47Å; F505-P533 HydrophobicContact CB-CB 3.74Å; F505-P533 HydrophobicContact CB-CG 3.84Å; F505-L535 HydrophobicContact CD1-CB 4.32Å; F505-L535 WeakPolarHBondContact CD1-O 3.34Å; F505-A536 HydrophobicContact CB-CB 4.28Å; F505-A536 HydrophobicContact CD1-CB 3.88Å; F505-A536 HydrophobicContact CG-CB 4.16Å; F505-I540 HydrophobicContact CD1-CG2 4.35Å; F505-I540 HydrophobicContact CD2-CG2 4.06Å; F505-I540 HydrophobicContact CE1-CD1 3.77Å; F505-I540 HydrophobicContact CE1-CG2 3.99Å; F505-I540 HydrophobicContact CE2-CG2 3.68Å; F505-I540 HydrophobicContact CG-CG2 4.4Å; F505-I540 HydrophobicContact CZ-CD1 3.75Å; F505-I540 HydrophobicContact CZ-CG1 4.48Å; F505-I540 HydrophobicContact CZ-CG2 3.65Å; F505-M544 HydrophobicContact CB-CE 3.97Å; F505-M544 HydrophobicContact CD2-CE 3.67Å; F505-M544 HydrophobicContact CE2-CE 4.48Å; F505-M544 HydrophobicContact CG-CE 3.96Å
506	T	96.7	Very high	96.2	Very high	26 Å²	26	23.8 Å²	23.8	16%	0.16	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	13.1	169.3	59.6	0	0	0	0	113.2	W502 E503 I504 G508 S509 P533	W502-T506 HydrophobicContact CD2-CG2 3.81Å; W502-T506 HydrophobicContact CE3-CG2 4Å; W502-T506 HydrophobicContact CH2-CG2 3.8Å; W502-T506 HydrophobicContact CZ2-CG2 3.61Å; W502-T506 HydrophobicContact CZ3-CG2 3.97Å; W502-T506 WeakPolarHBondContact CZ3-OG1 3.46Å; W502-T506 WeakPolarHBondContact O-CB 3.37Å; W502-T506 WeakPolarHBondContact O-CG2 3.37Å; W502-T506 PolarHBondContact O-N 2.82Å; W502-T506 PolarHBondContact O-OG1 2.85Å; E503-T506 PolarHBondContact O-OG1 3.38Å; I504-T506 PolarHBondContact O-N 2.88Å; T506-G508 PolarHBondContact O-N 3.49Å; T506-S509 PolarHBondContact O-N 2.75Å; T506-S509 PolarHBondContact O-OG 2.74Å; T506-S509 WeakPolarHBondContact OG1-CB 3.48Å; T506-P533 HydrophobicContact CG2-CB 3.72Å; T506-P533 HydrophobicContact CG2-CG 3.82Å
507	L	95.8	Very high	95.5	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.052	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	49	179.3	-52.9	-179.2	0	0	0	112.6	L396 R400 W403 L404 L413 E503 I504 L535	L396-L507 HydrophobicContact CD2-CD2 4.34Å; R400-L507 HydrophobicContact CG-CB 3.9Å; R400-L507 HydrophobicContact CG-CD1 4.21Å; R400-L507 VanDerWaalsContact CZ-O 3.32Å; R400-L507 PolarHBondContact NE-O 2.67Å; R400-L507 PolarHBondContact NH2-O 3.46Å; W403-L507 HydrophobicContact CB-CD1 4.02Å; W403-L507 HydrophobicContact CB-CD2 4.22Å; W403-L507 HydrophobicContact CG-CD2 4.28Å; L404-L507 HydrophobicContact CD2-CD1 4.23Å; L404-L507 HydrophobicContact CG-CD1 4.33Å; L413-L507 HydrophobicContact CD1-CD2 4.13Å; L413-L507 HydrophobicContact CD2-CD2 3.93Å; E503-L507 PolarHBondContact O-N 3.47Å; I504-L507 PolarHBondContact O-N 3.04Å; L507-L535 HydrophobicContact CD1-CD1 3.9Å; L507-L535 HydrophobicContact CD2-CD1 3.93Å; L507-L535 HydrophobicContact CG-CD1 3.74Å
508	G	95.5	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	78.1	30.2	176	0	0	0	0	0	114.5	R397 E503 T506	R397-G508 PolarHBondContact NH1-O 2.97Å; E503-G508 WeakPolarHBondContact O-CA 3.32Å; E503-G508 PolarHBondContact O-N 3.35Å; T506-G508 PolarHBondContact O-N 3.49Å
509	S	95.8	Very high	94.5	Very high	34 Å²	34	38.7 Å²	38.7	24%	0.238	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72.7	161	172.6	-61.3	0	0	0	0	111.1	R400 T506	R400-S509 PolarHBondContact NH2-OG 3.04Å; T506-S509 PolarHBondContact O-N 2.75Å; T506-S509 PolarHBondContact O-OG 2.74Å; T506-S509 WeakPolarHBondContact OG1-CB 3.48Å
510	S	95.1	Very high	94	Very high	51 Å²	51	38.7 Å²	38.7	36%	0.357	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-78.1	131.7	173.7	-179.4	0	0	0	0	109.2	W502	W502-S510 WeakPolarHBondContact CH2-O 3.46Å; W502-S510 WeakPolarHBondContact CZ3-O 3.47Å
511	P	96.9	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-56.3	153.3	171.6	-22.8	32.9	0	0	0	111.3	K476 W477 I499 W502 E503	K476-P511 HydrophobicContact CB-CB 4.29Å; K476-P511 VanDerWaalsContact CD-O 3.27Å; K476-P511 WeakPolarHBondContact CD-O 3.49Å; K476-P511 WeakPolarHBondContact CE-O 3.32Å; K476-P511 PolarHBondContact NZ-O 3.46Å; W477-P511 HydrophobicContact CH2-CG 4.48Å; W477-P511 HydrophobicContact CZ2-CG 3.84Å; I499-P511 HydrophobicContact CG2-CB 3.87Å; I499-P511 HydrophobicContact CG2-CG 3.43Å; I499-P511 VanDerWaalsContact CG2-CG 3.43Å; W502-P511 HydrophobicContact CE3-CB 4.37Å; W502-P511 HydrophobicContact CE3-CG 4.31Å; W502-P511 VanDerWaalsContact CZ3-CA 3.49Å; W502-P511 HydrophobicContact CZ3-CB 4.38Å; W502-P511 HydrophobicContact CZ3-CG 4.41Å; E503-P511 HydrophobicContact CG-CG 3.91Å
512	Y	96	Very high	93.2	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.02	26%	0.263	C	S	.	.	S	Bend	trans	46.6	62.3	179.7	-54.1	-81.4	0	0	0	111.5	K476 I499 N514 I515 I520 I524 N530	K476-Y512 HydrophobicContact CB-CD2 4.12Å; K476-Y512 HydrophobicContact CG-CD2 4.19Å; K476-Y512 PolarHBondContact NZ-O 2.87Å; K476-Y512 WeakPolarHBondContact O-CE2 3.25Å; I499-Y512 HydrophobicContact CD1-CE2 3.94Å; Y512-N514 PolarHBondContact O-N 2.85Å; Y512-I515 HydrophobicContact CD1-CD1 3.64Å; Y512-I515 HydrophobicContact CG-CD1 4.21Å; Y512-I515 PolarHBondContact O-N 2.97Å; Y512-I520 HydrophobicContact CD1-CD1 4.3Å; Y512-I520 HydrophobicContact CD2-CD1 3.81Å; Y512-I520 HydrophobicContact CE2-CD1 4.48Å; Y512-I520 HydrophobicContact CG-CD1 3.69Å; Y512-I524 HydrophobicContact CE1-CG1 4.32Å; Y512-I524 HydrophobicContact CE2-CD1 4.01Å; Y512-I524 HydrophobicContact CE2-CG1 4.33Å; Y512-N530 WeakPolarHBondContact CE2-ND2 3.45Å; Y512-N530 VanDerWaalsContact CZ-ND2 3.32Å; Y512-N530 PolarHBondContact N-OD1 3.32Å
513	P	92.4	Very high	93	Very high	86 Å²	86	48.7 Å²	48.7	56%	0.558	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.6	-172.4	24.3	-34	0	0	0	113.3
514	N	91.4	Very high	92.8	Very high	142 Å²	142	48.7 Å²	48.7	76%	0.759	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	9.9	-174.5	-56.1	-29.6	0	0	0	113.8	Y512	Y512-N514 PolarHBondContact O-N 2.85Å
515	I	91.4	Very high	92.4	Very high	31 Å²	31	53 Å²	53	16%	0.159	29%	0.288	C	S	.	.	S	Bend	trans	-112.7	128.4	-179.2	-52.5	-176.8	0	0	0	109.5	Y512 E519 I520 V528	Y512-I515 HydrophobicContact CD1-CD1 3.64Å; Y512-I515 HydrophobicContact CG-CD1 4.21Å; Y512-I515 PolarHBondContact O-N 2.97Å; I515-E519 HydrophobicContact CG2-CB 4.45Å; I515-I520 HydrophobicContact CB-CD1 4.13Å; I515-I520 HydrophobicContact CD1-CD1 4.43Å; I515-I520 HydrophobicContact CG2-CB 4.4Å; I515-I520 HydrophobicContact CG2-CD1 3.85Å; I515-V528 HydrophobicContact CD1-CG1 3.67Å
516	N	88.1	Confident	92.2	Very high	92 Å²	92	57.1 Å²	57.1	49%	0.492	32%	0.317	S	S	.	.			trans	-67.6	144	176.2	-166.5	-16.7	0	0	0	110.7	T518 E519 I520	N516-T518 VanDerWaalsContact CG-OG1 3.25Å; N516-T518 PolarHBondContact ND2-OG1 3.03Å; N516-T518 PolarHBondContact O-N 3.49Å; N516-T518 PolarHBondContact OD1-N 3.28Å; N516-T518 PolarHBondContact OD1-OG1 3.06Å; N516-E519 PolarHBondContact O-N 2.91Å; N516-I520 PolarHBondContact O-N 3.24Å
517	M	83.2	Confident	92.1	Very high	95 Å²	95	58 Å²	58	47%	0.468	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.5	176	-77.1	-68.8	-74.3	0	0	113.2	L475 K476 E519 I520	L475-M517 HydrophobicContact CB-CE 4.37Å; L475-M517 HydrophobicContact CD1-CE 3.93Å; L475-M517 HydrophobicContact CG-CE 4.41Å; K476-M517 HydrophobicContact CD-SD 4.27Å; K476-M517 HydrophobicContact CG-SD 4.21Å; M517-E519 VanDerWaalsContact C-N 3.35Å; M517-I520 VanDerWaalsContact O-CG2 3.24Å; M517-I520 WeakPolarHBondContact O-CG2 3.44Å
518	T	85.9	Confident	92.2	Very high	116 Å²	116	60.3 Å²	60.3	71%	0.712	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.4	174.5	51.8	0	0	0	0	113.2	N516	N516-T518 VanDerWaalsContact CG-OG1 3.25Å; N516-T518 PolarHBondContact ND2-OG1 3.03Å; N516-T518 PolarHBondContact O-N 3.49Å; N516-T518 PolarHBondContact OD1-N 3.28Å; N516-T518 PolarHBondContact OD1-OG1 3.06Å
519	E	91	Very high	92.3	Very high	106 Å²	106	62.9 Å²	62.9	50%	0.495	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-14.3	-175.1	-67.4	167.9	-177.1	0	0	112.5	I515 N516 M517 I521 Q522 S523	I515-E519 HydrophobicContact CG2-CB 4.45Å; N516-E519 PolarHBondContact O-N 2.91Å; M517-E519 VanDerWaalsContact C-N 3.35Å; E519-I521 VanDerWaalsContact C-N 3.26Å; E519-I521 PolarHBondContact O-N 3.27Å; E519-I521 VanDerWaalsContact O-N 3.09Å; E519-Q522 PolarHBondContact O-N 2.8Å; E519-S523 PolarHBondContact O-N 2.95Å; E519-S523 PolarHBondContact O-OG 2.83Å
520	I	89.7	Confident	92.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-53	-38.9	-170.6	-167.2	60.4	0	0	0	114.1	L475 K476 Y512 I515 N516 M517 I524	L475-I520 HydrophobicContact CB-CG2 4.03Å; L475-I520 HydrophobicContact CD1-CG2 4Å; K476-I520 HydrophobicContact CG-CD1 4.19Å; K476-I520 HydrophobicContact CG-CG1 4Å; Y512-I520 HydrophobicContact CD1-CD1 4.3Å; Y512-I520 HydrophobicContact CD2-CD1 3.81Å; Y512-I520 HydrophobicContact CE2-CD1 4.48Å; Y512-I520 HydrophobicContact CG-CD1 3.69Å; I515-I520 HydrophobicContact CB-CD1 4.13Å; I515-I520 HydrophobicContact CD1-CD1 4.43Å; I515-I520 HydrophobicContact CG2-CB 4.4Å; I515-I520 HydrophobicContact CG2-CD1 3.85Å; N516-I520 PolarHBondContact O-N 3.24Å; M517-I520 VanDerWaalsContact O-CG2 3.24Å; M517-I520 WeakPolarHBondContact O-CG2 3.44Å; I520-I524 HydrophobicContact CD1-CD1 4.07Å; I520-I524 HydrophobicContact CD1-CG1 4.34Å; I520-I524 HydrophobicContact CG1-CD1 3.91Å; I520-I524 WeakPolarHBondContact O-CB 3.28Å; I520-I524 VanDerWaalsContact O-CG1 3.29Å; I520-I524 WeakPolarHBondContact O-CG1 3.4Å; I520-I524 PolarHBondContact O-N 3.03Å
521	I	88.9	Confident	92.4	Very high	63 Å²	63	66 Å²	66	32%	0.323	36%	0.36	S	S	.	.	H	α-helix	trans	-65.5	-49.4	179.7	-61.4	178.8	0	0	0	109.7	L475 L483 E519 I524 Q525	L475-I521 HydrophobicContact CD1-CD1 4.47Å; L475-I521 HydrophobicContact CD2-CD1 4.23Å; L475-I521 HydrophobicContact CD2-CG1 4.46Å; L483-I521 HydrophobicContact CB-CG2 4.39Å; L483-I521 HydrophobicContact CD2-CG1 4.28Å; E519-I521 VanDerWaalsContact C-N 3.26Å; E519-I521 PolarHBondContact O-N 3.27Å; E519-I521 VanDerWaalsContact O-N 3.09Å; I521-I524 PolarHBondContact O-N 3.14Å; I521-Q525 WeakPolarHBondContact O-CB 3.46Å; I521-Q525 VanDerWaalsContact O-CG 3.28Å; I521-Q525 WeakPolarHBondContact O-CG 3.38Å; I521-Q525 PolarHBondContact O-N 3.08Å
522	Q	91.8	Very high	92.5	Very high	143 Å²	143	70 Å²	70	67%	0.668	38%	0.377	S	S	*	.	H	α-helix	trans	-64.1	-42.7	179.8	-173.6	176	1.2	0	0	111.3	E519 Q525 S526	E519-Q522 PolarHBondContact O-N 2.8Å; Q522-Q525 PolarHBondContact O-N 3.37Å; Q522-S526 WeakPolarHBondContact O-CB 3.46Å; Q522-S526 PolarHBondContact O-N 3.15Å; Q522-S526 PolarHBondContact O-OG 2.86Å
523	S	93.9	Very high	92.5	Very high	21 Å²	21	70 Å²	70	15%	0.147	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-45.8	177.7	-53	0	0	0	0	112.3	E519 Q525 S526 G527 V528	E519-S523 PolarHBondContact O-N 2.95Å; E519-S523 PolarHBondContact O-OG 2.83Å; S523-Q525 VanDerWaalsContact C-N 3.34Å; S523-Q525 PolarHBondContact O-N 3.49Å; S523-S526 PolarHBondContact O-N 3.21Å; S523-S526 PolarHBondContact O-OG 3.18Å; S523-G527 PolarHBondContact O-N 3.36Å; S523-V528 WeakPolarHBondContact O-CB 3.02Å; S523-V528 WeakPolarHBondContact O-CG2 3.36Å; S523-V528 PolarHBondContact O-N 3.24Å
524	I	92.9	Very high	92.6	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-44.1	178.4	-72.6	171.5	0	0	0	110.5	P480 L483 W495 Y512 I520 I521 S526 G527 R529	P480-I524 HydrophobicContact CG-CG2 3.98Å; L483-I524 HydrophobicContact CD1-CB 4.25Å; L483-I524 HydrophobicContact CD1-CD1 4.11Å; L483-I524 HydrophobicContact CD1-CG2 3.93Å; W495-I524 HydrophobicContact CH2-CG2 3.87Å; W495-I524 HydrophobicContact CZ2-CG2 3.62Å; Y512-I524 HydrophobicContact CE1-CG1 4.32Å; Y512-I524 HydrophobicContact CE2-CD1 4.01Å; Y512-I524 HydrophobicContact CE2-CG1 4.33Å; I520-I524 HydrophobicContact CD1-CD1 4.07Å; I520-I524 HydrophobicContact CD1-CG1 4.34Å; I520-I524 HydrophobicContact CG1-CD1 3.91Å; I520-I524 WeakPolarHBondContact O-CB 3.28Å; I520-I524 VanDerWaalsContact O-CG1 3.29Å; I520-I524 WeakPolarHBondContact O-CG1 3.4Å; I520-I524 PolarHBondContact O-N 3.03Å; I521-I524 PolarHBondContact O-N 3.14Å; I524-S526 VanDerWaalsContact C-N 3.33Å; I524-S526 PolarHBondContact O-N 3.33Å; I524-G527 PolarHBondContact O-N 2.56Å; I524-R529 PolarHBondContact O-NH1 2.61Å
525	Q	90.9	Very high	92.7	Very high	91 Å²	91	69.8 Å²	69.8	43%	0.425	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-33.7	178.5	-73.4	176.8	-31.3	0	0	112.8	I521 Q522 S523 G527	I521-Q525 WeakPolarHBondContact O-CB 3.46Å; I521-Q525 VanDerWaalsContact O-CG 3.28Å; I521-Q525 WeakPolarHBondContact O-CG 3.38Å; I521-Q525 PolarHBondContact O-N 3.08Å; Q522-Q525 PolarHBondContact O-N 3.37Å; S523-Q525 VanDerWaalsContact C-N 3.34Å; S523-Q525 PolarHBondContact O-N 3.49Å; Q525-G527 PolarHBondContact O-N 3.05Å
526	S	93.6	Very high	92.9	Very high	88 Å²	88	68.5 Å²	68.5	62%	0.615	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	2.1	176.5	76.5	0	0	0	0	113.9	Q522 S523 I524	Q522-S526 WeakPolarHBondContact O-CB 3.46Å; Q522-S526 PolarHBondContact O-N 3.15Å; Q522-S526 PolarHBondContact O-OG 2.86Å; S523-S526 PolarHBondContact O-N 3.21Å; S523-S526 PolarHBondContact O-OG 3.18Å; I524-S526 VanDerWaalsContact C-N 3.33Å; I524-S526 PolarHBondContact O-N 3.33Å
527	G	94.8	Very high	93.2	Very high	43 Å²	43	66.1 Å²	66.1	44%	0.443	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	2.3	177	0	0	0	0	0	115.2	S523 I524 Q525 R529	S523-G527 PolarHBondContact O-N 3.36Å; I524-G527 PolarHBondContact O-N 2.56Å; Q525-G527 PolarHBondContact O-N 3.05Å; G527-R529 PolarHBondContact O-N 2.87Å; G527-R529 PolarHBondContact O-NH1 3.27Å
528	V	96.3	Very high	93.8	Very high	59 Å²	59	67.2 Å²	67.2	36%	0.358	36%	0.363	S	S	.	.			trans	-65	133.5	175.2	-177.2	0	0	0	0	109.6	I515 S523	I515-V528 HydrophobicContact CD1-CG1 3.67Å; S523-V528 WeakPolarHBondContact O-CB 3.02Å; S523-V528 WeakPolarHBondContact O-CG2 3.36Å; S523-V528 PolarHBondContact O-N 3.24Å
529	R	97.4	Very high	94.3	Very high	54 Å²	54	65.1 Å²	65.1	20%	0.204	35%	0.35	C	S	.	.			trans	-126.8	163.7	176.9	-60.1	-59.9	178	-97.1	-0.4	109.9	I524 G527 W548	I524-R529 PolarHBondContact O-NH1 2.61Å; G527-R529 PolarHBondContact O-N 2.87Å; G527-R529 PolarHBondContact O-NH1 3.27Å; R529-W548 HydrophobicContact CB-CE3 4.05Å; R529-W548 HydrophobicContact CB-CZ3 4.43Å; R529-W548 HydrophobicContact CG-CB 4.48Å; R529-W548 HydrophobicContact CG-CE3 4.38Å; R529-W548 PolarHBondContact NE-O 2.73Å; R529-W548 VanDerWaalsContact NE-O 3.12Å; R529-W548 PolarHBondContact NH2-O 3.41Å
530	N	97.8	Very high	94.5	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.1	139.5	172.9	-70.5	-75.5	0	0	0	110.3	I499 W502 Y512 Y541 W548	I499-N530 VanDerWaalsContact CD1-ND2 3.31Å; I499-N530 WeakPolarHBondContact CD1-ND2 3.49Å; W502-N530 HydrophobicContact CD2-CB 4.13Å; W502-N530 HydrophobicContact CG-CB 3.97Å; W502-N530 HydrophobicContact CZ2-CB 4.42Å; Y512-N530 WeakPolarHBondContact CE2-ND2 3.45Å; Y512-N530 VanDerWaalsContact CZ-ND2 3.32Å; Y512-N530 PolarHBondContact N-OD1 3.32Å; N530-Y541 WeakPolarHBondContact O-CE2 3.41Å; N530-Y541 PolarHBondContact O-OH 3.24Å; N530-W548 HydrophobicContact CB-CH2 3.87Å; N530-W548 HydrophobicContact CB-CZ3 4.29Å
531	E	97.2	Very high	94.9	Very high	148 Å²	148	62.6 Å²	62.6	69%	0.692	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-65.1	157.9	174.1	-65.5	173.9	-174	0	0	112	W502 P533	W502-E531 PolarHBondContact NE1-O 3.49Å; E531-P533 WeakPolarHBondContact O-CD 3.5Å
532	K	98	Very high	95.4	Very high	85 Å²	85	64.4 Å²	64.4	37%	0.37	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.2	121.4	177.6	-175.8	169.5	83.7	93.2	0	111.3	A536 N538 Y541	K532-A536 HydrophobicContact CG-CB 4.45Å; K532-A536 PolarHBondContact NZ-O 2.73Å; K532-N538 WeakPolarHBondContact CD-OD1 3.3Å; K532-N538 VanDerWaalsContact CE-OD1 3.22Å; K532-N538 WeakPolarHBondContact CE-OD1 3.4Å; K532-N538 PolarHBondContact NZ-OD1 2.9Å; K532-Y541 VanDerWaalsContact CA-CD2 3.49Å; K532-Y541 VanDerWaalsContact CA-CE2 3.41Å; K532-Y541 HydrophobicContact CB-CD1 3.85Å; K532-Y541 HydrophobicContact CB-CD2 3.73Å; K532-Y541 HydrophobicContact CB-CE1 4Å; K532-Y541 HydrophobicContact CB-CE2 3.89Å; K532-Y541 HydrophobicContact CB-CG 3.7Å; K532-Y541 HydrophobicContact CD-CD1 3.99Å; K532-Y541 HydrophobicContact CD-CG 3.87Å; K532-Y541 HydrophobicContact CG-CD1 4.05Å; K532-Y541 HydrophobicContact CG-CD2 3.89Å; K532-Y541 HydrophobicContact CG-CG 3.6Å
533	P	96.7	Very high	95.7	Very high	5 Å²	5	58 Å²	58	3%	0.032	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-58.3	143	172	-24.7	34.9	0	0	0	111.9	W502 F505 T506 E531 L535 A536 M544	W502-P533 VanDerWaalsContact CD1-CG 3.46Å; W502-P533 HydrophobicContact CG-CG 4.12Å; F505-P533 HydrophobicContact CB-CB 3.74Å; F505-P533 HydrophobicContact CB-CG 3.84Å; T506-P533 HydrophobicContact CG2-CB 3.72Å; T506-P533 HydrophobicContact CG2-CG 3.82Å; E531-P533 WeakPolarHBondContact O-CD 3.5Å; P533-L535 PolarHBondContact O-N 3.29Å; P533-A536 HydrophobicContact CB-CB 3.97Å; P533-A536 HydrophobicContact CG-CB 4.19Å; P533-A536 WeakPolarHBondContact O-CB 3.35Å; P533-A536 PolarHBondContact O-N 3.32Å; P533-M544 HydrophobicContact CG-CE 4.17Å; P533-M544 HydrophobicContact CG-SD 4.29Å
534	L	93.6	Very high	95.9	Very high	177 Å²	177	57 Å²	57	93%	0.927	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.1	177.6	-67.1	174.7	0	0	0	112.8	A536	L534-A536 VanDerWaalsContact C-N 3.29Å; L534-A536 PolarHBondContact O-N 3.46Å
535	L	93.5	Very high	96.2	Very high	46 Å²	46	58.2 Å²	58.2	24%	0.241	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.9	-179.9	-56.7	177.9	0	0	0	113.5	L409 L413 F505 L507 P533	L409-L535 HydrophobicContact CD2-CD1 3.84Å; L409-L535 HydrophobicContact CD2-CD2 3.99Å; L413-L535 HydrophobicContact CD1-CB 4.35Å; L413-L535 HydrophobicContact CD1-CD1 3.99Å; F505-L535 HydrophobicContact CD1-CB 4.32Å; F505-L535 WeakPolarHBondContact CD1-O 3.34Å; L507-L535 HydrophobicContact CD1-CD1 3.9Å; L507-L535 HydrophobicContact CD2-CD1 3.93Å; L507-L535 HydrophobicContact CG-CD1 3.74Å; P533-L535 PolarHBondContact O-N 3.29Å
536	A	95.1	Very high	96.5	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.033	31%	0.306	C	S	.	.			trans	-95.7	131.2	-179.2	0	0	0	0	0	111.3	F505 K532 P533 L534 I540 M544	F505-A536 HydrophobicContact CB-CB 4.28Å; F505-A536 HydrophobicContact CD1-CB 3.88Å; F505-A536 HydrophobicContact CG-CB 4.16Å; K532-A536 HydrophobicContact CG-CB 4.45Å; K532-A536 PolarHBondContact NZ-O 2.73Å; P533-A536 HydrophobicContact CB-CB 3.97Å; P533-A536 HydrophobicContact CG-CB 4.19Å; P533-A536 WeakPolarHBondContact O-CB 3.35Å; P533-A536 PolarHBondContact O-N 3.32Å; L534-A536 VanDerWaalsContact C-N 3.29Å; L534-A536 PolarHBondContact O-N 3.46Å; A536-I540 HydrophobicContact CB-CB 4.34Å; A536-I540 HydrophobicContact CB-CG2 4Å; A536-M544 HydrophobicContact CB-CE 4.36Å
537	S	94.7	Very high	96.8	Very high	42 Å²	42	51.7 Å²	51.7	29%	0.294	28%	0.276	S	S	.	.			trans	-66.1	164.3	166	73.5	0	0	0	0	110.7	T539 I540 Y541	S537-T539 PolarHBondContact O-N 2.98Å; S537-I540 PolarHBondContact O-N 2.78Å; S537-I540 WeakPolarHBondContact OG-CD1 3.4Å; S537-I540 VanDerWaalsContact OG-CG1 3.27Å; S537-I540 WeakPolarHBondContact OG-CG1 3.27Å; S537-I540 PolarHBondContact OG-N 2.85Å; S537-Y541 PolarHBondContact O-N 3.27Å
538	N	96.4	Very high	96.9	Very high	117 Å²	117	49.9 Å²	49.9	63%	0.626	26%	0.256	S	S	*	.	H	α-helix	trans	-61.4	-37.2	176.6	-69.2	-12.3	0	0	0	111.5	K532 Y541 Q542	K532-N538 WeakPolarHBondContact CD-OD1 3.3Å; K532-N538 VanDerWaalsContact CE-OD1 3.22Å; K532-N538 WeakPolarHBondContact CE-OD1 3.4Å; K532-N538 PolarHBondContact NZ-OD1 2.9Å; N538-Y541 PolarHBondContact O-N 3.21Å; N538-Q542 WeakPolarHBondContact O-CB 3.49Å; N538-Q542 PolarHBondContact O-N 2.88Å
539	T	95.8	Very high	97	Very high	73 Å²	73	50.2 Å²	50.2	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.6	-45	0	0	0	0	112	S537 Y541 Q542 I543 Q568	S537-T539 PolarHBondContact O-N 2.98Å; T539-Y541 VanDerWaalsContact C-N 3.34Å; T539-Y541 PolarHBondContact O-N 2.73Å; T539-Q542 WeakPolarHBondContact O-CB 3.41Å; T539-Q542 PolarHBondContact O-N 2.96Å; T539-I543 PolarHBondContact O-N 3.1Å; T539-I543 VanDerWaalsContact O-N 3.09Å; T539-Q568 VanDerWaalsContact CG2-CD 3.5Å; T539-Q568 HydrophobicContact CG2-CG 4.44Å
540	I	96.1	Very high	96.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-41.1	177	-67.9	168.3	0	0	0	110.8	L414 F505 A536 S537 Q542 I543 M544	L414-I540 HydrophobicContact CD1-CD1 4.15Å; L414-I540 HydrophobicContact CD2-CD1 3.73Å; L414-I540 HydrophobicContact CD2-CG1 3.87Å; L414-I540 HydrophobicContact CG-CD1 3.97Å; F505-I540 HydrophobicContact CD1-CG2 4.35Å; F505-I540 HydrophobicContact CD2-CG2 4.06Å; F505-I540 HydrophobicContact CE1-CD1 3.77Å; F505-I540 HydrophobicContact CE1-CG2 3.99Å; F505-I540 HydrophobicContact CE2-CG2 3.68Å; F505-I540 HydrophobicContact CG-CG2 4.4Å; F505-I540 HydrophobicContact CZ-CD1 3.75Å; F505-I540 HydrophobicContact CZ-CG1 4.48Å; F505-I540 HydrophobicContact CZ-CG2 3.65Å; A536-I540 HydrophobicContact CB-CB 4.34Å; A536-I540 HydrophobicContact CB-CG2 4Å; S537-I540 PolarHBondContact O-N 2.78Å; S537-I540 WeakPolarHBondContact OG-CD1 3.4Å; S537-I540 VanDerWaalsContact OG-CG1 3.27Å; S537-I540 WeakPolarHBondContact OG-CG1 3.27Å; S537-I540 PolarHBondContact OG-N 2.85Å; I540-Q542 VanDerWaalsContact C-N 3.32Å; I540-Q542 PolarHBondContact O-N 3.03Å; I540-I543 WeakPolarHBondContact O-CB 3.28Å; I540-I543 PolarHBondContact O-N 2.82Å; I540-M544 HydrophobicContact CG2-CE 3.9Å; I540-M544 PolarHBondContact O-N 2.88Å
541	Y	98.3	Very high	96.8	Very high	52 Å²	52	55.1 Å²	55.1	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-35.5	175.3	-174.5	-118.1	0	0	0	112.4	N530 K532 S537 N538 T539 I543 M544 C545 W548	N530-Y541 WeakPolarHBondContact O-CE2 3.41Å; N530-Y541 PolarHBondContact O-OH 3.24Å; K532-Y541 VanDerWaalsContact CA-CD2 3.49Å; K532-Y541 VanDerWaalsContact CA-CE2 3.41Å; K532-Y541 HydrophobicContact CB-CD1 3.85Å; K532-Y541 HydrophobicContact CB-CD2 3.73Å; K532-Y541 HydrophobicContact CB-CE1 4Å; K532-Y541 HydrophobicContact CB-CE2 3.89Å; K532-Y541 HydrophobicContact CB-CG 3.7Å; K532-Y541 HydrophobicContact CD-CD1 3.99Å; K532-Y541 HydrophobicContact CD-CG 3.87Å; K532-Y541 HydrophobicContact CG-CD1 4.05Å; K532-Y541 HydrophobicContact CG-CD2 3.89Å; K532-Y541 HydrophobicContact CG-CG 3.6Å; S537-Y541 PolarHBondContact O-N 3.27Å; N538-Y541 PolarHBondContact O-N 3.21Å; T539-Y541 VanDerWaalsContact C-N 3.34Å; T539-Y541 PolarHBondContact O-N 2.73Å; Y541-I543 VanDerWaalsContact C-N 3.29Å; Y541-I543 PolarHBondContact O-N 3.07Å; Y541-M544 HydrophobicContact CD2-CB 4.48Å; Y541-M544 HydrophobicContact CD2-SD 4Å; Y541-M544 WeakPolarHBondContact O-CA 3.38Å; Y541-M544 WeakPolarHBondContact O-CB 3.32Å; Y541-M544 PolarHBondContact O-N 2.9Å; Y541-M544 VanDerWaalsContact O-N 3.08Å; Y541-C545 PolarHBondContact O-N 2.78Å; Y541-C545 PolarHBondContact O-SG 2.88Å; Y541-C545 VanDerWaalsContact O-SG 3.38Å; Y541-W548 HydrophobicContact CE2-CZ3 4.1Å
542	Q	98.1	Very high	96.7	Very high	101 Å²	101	49.8 Å²	49.8	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-37.1	173.6	-171.9	59.8	36.5	0	0	111.8	N538 T539 I540 M544 C545 N546	N538-Q542 WeakPolarHBondContact O-CB 3.49Å; N538-Q542 PolarHBondContact O-N 2.88Å; T539-Q542 WeakPolarHBondContact O-CB 3.41Å; T539-Q542 PolarHBondContact O-N 2.96Å; I540-Q542 VanDerWaalsContact C-N 3.32Å; I540-Q542 PolarHBondContact O-N 3.03Å; Q542-M544 VanDerWaalsContact C-N 3.34Å; Q542-M544 PolarHBondContact O-N 2.86Å; Q542-C545 PolarHBondContact O-N 2.95Å; Q542-N546 PolarHBondContact NE2-OD1 2.78Å; Q542-N546 WeakPolarHBondContact O-CB 3.43Å; Q542-N546 PolarHBondContact O-N 3.45Å; Q542-N546 PolarHBondContact O-ND2 3.47Å; Q542-N546 PolarHBondContact O-OD1 3.13Å
543	I	98.2	Very high	96.6	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-45.3	171.5	-63.8	170.4	0	0	0	110.3	L501 T539 I540 Y541 C545 N546 C547 L561 L564 L565 Q568	L501-I543 HydrophobicContact CD2-CG2 4.18Å; T539-I543 PolarHBondContact O-N 3.1Å; T539-I543 VanDerWaalsContact O-N 3.09Å; I540-I543 WeakPolarHBondContact O-CB 3.28Å; I540-I543 PolarHBondContact O-N 2.82Å; Y541-I543 VanDerWaalsContact C-N 3.29Å; Y541-I543 PolarHBondContact O-N 3.07Å; I543-C545 PolarHBondContact O-N 3.26Å; I543-N546 PolarHBondContact O-N 2.93Å; I543-C547 PolarHBondContact O-N 3.17Å; I543-C547 VanDerWaalsContact O-N 3.14Å; I543-C547 PolarHBondContact O-SG 2.94Å; I543-C547 VanDerWaalsContact O-SG 3.4Å; I543-L561 HydrophobicContact CG2-CD2 3.72Å; I543-L564 HydrophobicContact CD1-CB 4.12Å; I543-L564 HydrophobicContact CG1-CD1 4.44Å; I543-L565 HydrophobicContact CD1-CD2 4.28Å; I543-Q568 HydrophobicContact CD1-CG 4.09Å
544	M	98.6	Very high	96.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.1	-44.7	174.9	-59.1	172.4	-171.7	0	0	111.8	L501 W502 F505 P533 A536 I540 Y541 Q542 N546 C547 W548	L501-M544 HydrophobicContact CB-CE 4.22Å; L501-M544 HydrophobicContact CB-CG 4.24Å; L501-M544 HydrophobicContact CD2-CE 4.14Å; L501-M544 HydrophobicContact CD2-CG 3.81Å; L501-M544 HydrophobicContact CG-CE 3.74Å; L501-M544 HydrophobicContact CG-CG 4.19Å; W502-M544 HydrophobicContact CB-SD 4.18Å; F505-M544 HydrophobicContact CB-CE 3.97Å; F505-M544 HydrophobicContact CD2-CE 3.67Å; F505-M544 HydrophobicContact CE2-CE 4.48Å; F505-M544 HydrophobicContact CG-CE 3.96Å; P533-M544 HydrophobicContact CG-CE 4.17Å; P533-M544 HydrophobicContact CG-SD 4.29Å; A536-M544 HydrophobicContact CB-CE 4.36Å; I540-M544 HydrophobicContact CG2-CE 3.9Å; I540-M544 PolarHBondContact O-N 2.88Å; Y541-M544 HydrophobicContact CD2-CB 4.48Å; Y541-M544 HydrophobicContact CD2-SD 4Å; Y541-M544 WeakPolarHBondContact O-CA 3.38Å; Y541-M544 WeakPolarHBondContact O-CB 3.32Å; Y541-M544 PolarHBondContact O-N 2.9Å; Y541-M544 VanDerWaalsContact O-N 3.08Å; Q542-M544 VanDerWaalsContact C-N 3.34Å; Q542-M544 PolarHBondContact O-N 2.86Å; M544-N546 VanDerWaalsContact C-N 3.32Å; M544-N546 PolarHBondContact O-N 2.53Å; M544-C547 VanDerWaalsContact O-CB 3.3Å; M544-C547 WeakPolarHBondContact O-CB 3.42Å; M544-C547 PolarHBondContact O-N 3.27Å; M544-C547 VanDerWaalsContact O-N 3.09Å; M544-W548 HydrophobicContact CB-CE3 4.25Å; M544-W548 HydrophobicContact CB-CH2 3.71Å; M544-W548 HydrophobicContact CB-CZ2 4.07Å; M544-W548 HydrophobicContact CB-CZ3 3.81Å; M544-W548 HydrophobicContact CG-CH2 4.39Å; M544-W548 VanDerWaalsContact O-CD2 3.26Å; M544-W548 PolarHBondContact O-N 2.77Å; M544-W548 VanDerWaalsContact O-N 3.15Å; M544-W548 HydrophobicContact SD-CH2 4.25Å
545	C	98.4	Very high	96.9	Very high	27 Å²	27	53.1 Å²	53.1	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-35.5	176.9	-69.2	0	0	0	0	112.9	Y541 Q542 I543 C547 W548 Q549	Y541-C545 PolarHBondContact O-N 2.78Å; Y541-C545 PolarHBondContact O-SG 2.88Å; Y541-C545 VanDerWaalsContact O-SG 3.38Å; Q542-C545 PolarHBondContact O-N 2.95Å; I543-C545 PolarHBondContact O-N 3.26Å; C545-C547 VanDerWaalsContact C-N 3.29Å; C545-C547 PolarHBondContact O-N 3.46Å; C545-W548 CarbonylContact O-C 3.53Å; C545-W548 PolarHBondContact O-N 2.95Å; C545-W548 VanDerWaalsContact O-N 3.14Å; C545-Q549 PolarHBondContact O-N 2.95Å; C545-Q549 PolarHBondContact O-NE2 2.88Å
546	N	98.3	Very high	97	Very high	42 Å²	42	52.3 Å²	52.3	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-29.6	174.4	-68.3	-13.1	0	0	0	111.8	Q542 I543 M544 W548 Q549 R555 L556	Q542-N546 PolarHBondContact NE2-OD1 2.78Å; Q542-N546 WeakPolarHBondContact O-CB 3.43Å; Q542-N546 PolarHBondContact O-N 3.45Å; Q542-N546 PolarHBondContact O-ND2 3.47Å; Q542-N546 PolarHBondContact O-OD1 3.13Å; I543-N546 PolarHBondContact O-N 2.93Å; M544-N546 VanDerWaalsContact C-N 3.32Å; M544-N546 PolarHBondContact O-N 2.53Å; N546-W548 VanDerWaalsContact C-N 3.35Å; N546-Q549 WeakPolarHBondContact O-CG 3.34Å; N546-R555 WeakPolarHBondContact O-CA 3.39Å; N546-L556 HydrophobicContact CB-CD1 3.72Å; N546-L556 HydrophobicContact CB-CG 4.05Å
547	C	98.7	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-29.6	169.8	-64	0	0	0	0	112.8	V494 W495 I543 M544 C545 R555	V494-C547 HydrophobicContact CG1-CB 4.12Å; V494-C547 WeakPolarHBondContact O-CB 3.22Å; W495-C547 WeakPolarHBondContact CA-O 3.48Å; I543-C547 PolarHBondContact O-N 3.17Å; I543-C547 VanDerWaalsContact O-N 3.14Å; I543-C547 PolarHBondContact O-SG 2.94Å; I543-C547 VanDerWaalsContact O-SG 3.4Å; M544-C547 VanDerWaalsContact O-CB 3.3Å; M544-C547 WeakPolarHBondContact O-CB 3.42Å; M544-C547 PolarHBondContact O-N 3.27Å; M544-C547 VanDerWaalsContact O-N 3.09Å; C545-C547 VanDerWaalsContact C-N 3.29Å; C545-C547 PolarHBondContact O-N 3.46Å; C547-R555 VanDerWaalsContact O-CD 3.27Å; C547-R555 WeakPolarHBondContact O-CD 3.23Å
548	W	98.4	Very high	97.4	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.019	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	23.2	-174.6	-54.9	-37.2	0	0	0	115.2	W495 G498 I499 W502 R529 N530 Y541 M544 C545 N546	W495-W548 AromaticContact CD2-CD1 3.85Å; W495-W548 HydrophobicContact CE3-CB 4.13Å; W495-W548 HydrophobicContact CH2-CB 4.36Å; W495-W548 HydrophobicContact CZ3-CB 3.98Å; W495-W548 WeakPolarHBondContact CZ3-O 3.44Å; W495-W548 PolarHBondContact O-NE1 3.43Å; G498-W548 VanDerWaalsContact C-CZ2 3.46Å; G498-W548 VanDerWaalsContact O-CZ2 3.24Å; G498-W548 WeakPolarHBondContact O-CZ2 3.22Å; I499-W548 HydrophobicContact CD1-CZ2 3.8Å; W502-W548 HydrophobicContact CB-CH2 4.1Å; W502-W548 HydrophobicContact CB-CZ2 4.09Å; W502-W548 HydrophobicContact CG-CH2 4.33Å; R529-W548 HydrophobicContact CB-CE3 4.05Å; R529-W548 HydrophobicContact CB-CZ3 4.43Å; R529-W548 HydrophobicContact CG-CB 4.48Å; R529-W548 HydrophobicContact CG-CE3 4.38Å; R529-W548 PolarHBondContact NE-O 2.73Å; R529-W548 VanDerWaalsContact NE-O 3.12Å; R529-W548 PolarHBondContact NH2-O 3.41Å; N530-W548 HydrophobicContact CB-CH2 3.87Å; N530-W548 HydrophobicContact CB-CZ3 4.29Å; Y541-W548 HydrophobicContact CE2-CZ3 4.1Å; M544-W548 HydrophobicContact CB-CE3 4.25Å; M544-W548 HydrophobicContact CB-CH2 3.71Å; M544-W548 HydrophobicContact CB-CZ2 4.07Å; M544-W548 HydrophobicContact CB-CZ3 3.81Å; M544-W548 HydrophobicContact CG-CH2 4.39Å; M544-W548 VanDerWaalsContact O-CD2 3.26Å; M544-W548 PolarHBondContact O-N 2.77Å; M544-W548 VanDerWaalsContact O-N 3.15Å; M544-W548 HydrophobicContact SD-CH2 4.25Å; C545-W548 CarbonylContact O-C 3.53Å; C545-W548 PolarHBondContact O-N 2.95Å; C545-W548 VanDerWaalsContact O-N 3.14Å; N546-W548 VanDerWaalsContact C-N 3.35Å
549	Q	97.9	Very high	97.4	Very high	66 Å²	66	47.7 Å²	47.7	31%	0.308	24%	0.24	S	C	.	.			trans	-60.9	137.7	170.8	-64.1	-59.4	-54.8	0	0	110.5	C545 N546 K554 R555	C545-Q549 PolarHBondContact O-N 2.95Å; C545-Q549 PolarHBondContact O-NE2 2.88Å; N546-Q549 WeakPolarHBondContact O-CG 3.34Å; Q549-K554 HydrophobicContact CB-CB 3.98Å; Q549-K554 HydrophobicContact CG-CB 4.11Å; Q549-R555 HydrophobicContact CB-CG 3.85Å; Q549-R555 PolarHBondContact O-NE 2.84Å; Q549-R555 PolarHBondContact O-NH2 3.16Å
550	I	96	Very high	97.6	Very high	100 Å²	100	47.6 Å²	47.6	51%	0.513	23%	0.234	S	C	.	.	S	Bend	trans	-63.7	-46	-179.3	-169.3	58.5	0	0	0	110.9	P480 P552 R555	P480-I550 HydrophobicContact CB-CD1 3.78Å; P480-I550 HydrophobicContact CG-CD1 3.7Å; I550-P552 WeakPolarHBondContact O-CD 2.75Å; I550-R555 PolarHBondContact O-NH2 3.48Å
551	D	95.3	Very high	97.7	Very high	59 Å²	59	47.5 Å²	47.5	32%	0.316	23%	0.234	S	C	.	.	S	Bend	trans	-76.3	117.4	174.2	179.7	0.6	0	0	0	109.9	K553 K554	D551-K553 PolarHBondContact O-N 3.28Å; D551-K553 VanDerWaalsContact O-N 3.15Å; D551-K553 WeakPolarHBondContact OD1-CB 3.09Å; D551-K553 PolarHBondContact OD1-N 3.39Å; D551-K554 HydrophobicContact CB-CB 4.37Å; D551-K554 HydrophobicContact CB-CD 4.16Å; D551-K554 HydrophobicContact CB-CG 4.06Å; D551-K554 PolarHBondContact O-N 3.42Å
552	P	95.4	Very high	97.7	Very high	37 Å²	37	45.2 Å²	45.2	24%	0.24	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-56	-29.3	177.2	-24.7	34.8	0	0	0	113.7	E481 K491 I550 K554 R555	E481-P552 HydrophobicContact CG-CG 4.4Å; K491-P552 HydrophobicContact CB-CB 3.86Å; K491-P552 WeakPolarHBondContact CD-O 3.39Å; K491-P552 HydrophobicContact CG-CB 4.44Å; K491-P552 WeakPolarHBondContact CG-O 3.46Å; I550-P552 WeakPolarHBondContact O-CD 2.75Å; P552-K554 VanDerWaalsContact C-N 3.28Å; P552-K554 PolarHBondContact O-N 3.24Å; P552-R555 PolarHBondContact O-N 3.16Å
553	K	95	Very high	97.7	Very high	186 Å²	186	44 Å²	44	81%	0.809	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-69.6	-25.1	179.3	-63.7	-179.2	179.4	-179.9	0	112.9	D551	D551-K553 PolarHBondContact O-N 3.28Å; D551-K553 VanDerWaalsContact O-N 3.15Å; D551-K553 WeakPolarHBondContact OD1-CB 3.09Å; D551-K553 PolarHBondContact OD1-N 3.39Å
554	K	97.4	Very high	97.6	Very high	146 Å²	146	46.3 Å²	46.3	64%	0.635	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-85.6	-10.9	177	-65.6	-174.6	-179.4	-176.1	0	113.2	Q549 D551 P552	Q549-K554 HydrophobicContact CB-CB 3.98Å; Q549-K554 HydrophobicContact CG-CB 4.11Å; D551-K554 HydrophobicContact CB-CB 4.37Å; D551-K554 HydrophobicContact CB-CD 4.16Å; D551-K554 HydrophobicContact CB-CG 4.06Å; D551-K554 PolarHBondContact O-N 3.42Å; P552-K554 VanDerWaalsContact C-N 3.28Å; P552-K554 PolarHBondContact O-N 3.24Å
555	R	98.3	Very high	97.6	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.019	23%	0.234	C	C	.	.	S	Bend	trans	-74.3	145.4	174.6	-59.4	176.5	-163.8	151.3	11.1	109.4	E481 K491 V494 N546 C547 Q549 I550 P552	E481-R555 IonicContact OE1-CZ 2.74Å; E481-R555 IonicContact OE1-NH1 3.79Å; E481-R555 PolarHBondContact OE1-NH1 2.93Å; E481-R555 IonicContact OE1-NH2 3.93Å; E481-R555 PolarHBondContact OE1-NH2 3.04Å; E481-R555 IonicContact OE2-CZ 3.58Å; E481-R555 IonicContact OE2-NH1 2.57Å; E481-R555 IonicContact OE2-NH2 3.65Å; E481-R555 PolarHBondContact OE2-NH2 3.03Å; K491-R555 HydrophobicContact CD-CB 4.25Å; K491-R555 PolarHBondContact NZ-O 3.36Å; K491-R555 WeakPolarHBondContact O-CD 3.23Å; K491-R555 PolarHBondContact O-NH1 3.26Å; V494-R555 HydrophobicContact CG1-CB 3.99Å; N546-R555 WeakPolarHBondContact O-CA 3.39Å; C547-R555 VanDerWaalsContact O-CD 3.27Å; C547-R555 WeakPolarHBondContact O-CD 3.23Å; Q549-R555 HydrophobicContact CB-CG 3.85Å; Q549-R555 PolarHBondContact O-NE 2.84Å; Q549-R555 PolarHBondContact O-NH2 3.16Å; I550-R555 PolarHBondContact O-NH2 3.48Å; P552-R555 PolarHBondContact O-N 3.16Å
556	L	97.4	Very high	97.4	Very high	28 Å²	28	49 Å²	49	15%	0.147	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-62	157.7	174.4	-61.7	170.8	0	0	0	111.7	K491 V494 N546 E560 L561 L564	K491-L556 PolarHBondContact NZ-O 3.21Å; V494-L556 WeakPolarHBondContact CG1-O 3.46Å; V494-L556 WeakPolarHBondContact CG2-O 3.28Å; N546-L556 HydrophobicContact CB-CD1 3.72Å; N546-L556 HydrophobicContact CB-CG 4.05Å; L556-E560 HydrophobicContact CB-CB 4.25Å; L556-E560 HydrophobicContact CD2-CB 4.22Å; L556-L561 HydrophobicContact CB-CD2 4.16Å; L556-L561 HydrophobicContact CB-CG 4Å; L556-L561 HydrophobicContact CD1-CD2 3.73Å; L556-L561 HydrophobicContact CD1-CG 4.37Å; L556-L564 HydrophobicContact CD1-CD1 3.51Å
557	S	97.9	Very high	97.2	Very high	22 Å²	22	50.5 Å²	50.5	15%	0.154	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-80.3	164.5	164.3	60.6	0	0	0	0	110.6	S559 E560 L561	S557-S559 PolarHBondContact O-N 3.44Å; S557-E560 WeakPolarHBondContact CB-OE2 3.47Å; S557-E560 PolarHBondContact N-OE2 3.49Å; S557-E560 PolarHBondContact O-N 3.47Å; S557-E560 VanDerWaalsContact OG-CG 3.29Å; S557-E560 WeakPolarHBondContact OG-CG 3.21Å; S557-E560 PolarHBondContact OG-N 3.42Å; S557-E560 VanDerWaalsContact OG-N 3.12Å; S557-E560 PolarHBondContact OG-OE2 3.47Å; S557-L561 VanDerWaalsContact O-CG 3.3Å; S557-L561 WeakPolarHBondContact O-CG 3.41Å; S557-L561 PolarHBondContact O-N 3.13Å
558	F	98.6	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-31.8	173.3	-76.9	-69.1	0	0	0	111.9	M424 K425 E428 L437 I490 D493 V494 F497 L561 V562	M424-F558 HydrophobicContact CB-CB 4.44Å; M424-F558 HydrophobicContact CB-CD1 3.35Å; M424-F558 HydrophobicContact CB-CD2 3.87Å; M424-F558 HydrophobicContact CB-CE1 3.34Å; M424-F558 HydrophobicContact CB-CE2 3.85Å; M424-F558 HydrophobicContact CB-CG 3.62Å; M424-F558 HydrophobicContact CB-CZ 3.6Å; M424-F558 HydrophobicContact CE-CD2 4.5Å; M424-F558 HydrophobicContact CE-CE1 4.47Å; M424-F558 HydrophobicContact CE-CE2 3.64Å; M424-F558 HydrophobicContact CE-CZ 3.63Å; M424-F558 HydrophobicContact CG-CD1 4.24Å; M424-F558 HydrophobicContact CG-CE1 3.73Å; M424-F558 HydrophobicContact CG-CE2 4.44Å; M424-F558 HydrophobicContact CG-CZ 3.84Å; K425-F558 HydrophobicContact CB-CB 3.99Å; E428-F558 HydrophobicContact CB-CD2 4.33Å; E428-F558 PolarHBondContact OE2-N 2.8Å; L437-F558 HydrophobicContact CD2-CZ 4.4Å; I490-F558 HydrophobicContact CG2-CD2 3.93Å; I490-F558 HydrophobicContact CG2-CE2 3.99Å; D493-F558 HydrophobicContact CB-CE2 4.07Å; D493-F558 HydrophobicContact CB-CZ 4.07Å; V494-F558 HydrophobicContact CG2-CD2 4.01Å; V494-F558 HydrophobicContact CG2-CE1 4.34Å; V494-F558 HydrophobicContact CG2-CE2 3.69Å; V494-F558 HydrophobicContact CG2-CG 4.46Å; V494-F558 HydrophobicContact CG2-CZ 3.87Å; F497-F558 HydrophobicContact CB-CE1 3.75Å; F497-F558 HydrophobicContact CB-CZ 4.16Å; F497-F558 HydrophobicContact CD1-CE1 4.49Å; F497-F558 HydrophobicContact CD2-CE1 4.07Å; F497-F558 AromaticContact CG-CE1 3.84Å; F497-F558 HydrophobicContact CG-CE1 3.84Å; F558-L561 HydrophobicContact CD1-CD1 3.9Å; F558-L561 HydrophobicContact CE1-CD1 4.21Å; F558-L561 PolarHBondContact O-N 2.71Å; F558-V562 WeakPolarHBondContact O-CG2 3.23Å; F558-V562 PolarHBondContact O-N 2.92Å
559	S	98	Very high	96.8	Very high	44 Å²	44	53.2 Å²	53.2	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-46.2	172	-64.6	0	0	0	0	112.8	E428 S557 V562 N563	E428-S559 PolarHBondContact OE2-N 3.13Å; S557-S559 PolarHBondContact O-N 3.44Å; S559-V562 PolarHBondContact O-N 3.43Å; S559-N563 PolarHBondContact O-N 3.05Å
560	E	98.4	Very high	96.5	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-38	175.8	-70.6	160.9	126.3	0	0	112.2	L556 S557 N563 L564	L556-E560 HydrophobicContact CB-CB 4.25Å; L556-E560 HydrophobicContact CD2-CB 4.22Å; S557-E560 WeakPolarHBondContact CB-OE2 3.47Å; S557-E560 PolarHBondContact N-OE2 3.49Å; S557-E560 PolarHBondContact O-N 3.47Å; S557-E560 VanDerWaalsContact OG-CG 3.29Å; S557-E560 WeakPolarHBondContact OG-CG 3.21Å; S557-E560 PolarHBondContact OG-N 3.42Å; S557-E560 VanDerWaalsContact OG-N 3.12Å; S557-E560 PolarHBondContact OG-OE2 3.47Å; E560-N563 PolarHBondContact O-N 2.97Å; E560-L564 WeakPolarHBondContact O-CG 3.43Å; E560-L564 PolarHBondContact O-N 2.88Å
561	L	98.6	Very high	96.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-41.3	177.1	-72.9	168.2	0	0	0	112.4	V494 F497 I543 L556 S557 F558 L564 L565	V494-L561 HydrophobicContact CG1-CD1 4.11Å; V494-L561 HydrophobicContact CG2-CD1 4.46Å; F497-L561 HydrophobicContact CD1-CD1 3.73Å; F497-L561 HydrophobicContact CE1-CD1 4.01Å; F497-L561 HydrophobicContact CE1-CD2 4.27Å; I543-L561 HydrophobicContact CG2-CD2 3.72Å; L556-L561 HydrophobicContact CB-CD2 4.16Å; L556-L561 HydrophobicContact CB-CG 4Å; L556-L561 HydrophobicContact CD1-CD2 3.73Å; L556-L561 HydrophobicContact CD1-CG 4.37Å; S557-L561 VanDerWaalsContact O-CG 3.3Å; S557-L561 WeakPolarHBondContact O-CG 3.41Å; S557-L561 PolarHBondContact O-N 3.13Å; F558-L561 HydrophobicContact CD1-CD1 3.9Å; F558-L561 HydrophobicContact CE1-CD1 4.21Å; F558-L561 PolarHBondContact O-N 2.71Å; L561-L564 PolarHBondContact O-N 3.29Å; L561-L565 WeakPolarHBondContact O-CB 3.48Å; L561-L565 WeakPolarHBondContact O-CD1 3.18Å; L561-L565 VanDerWaalsContact O-CG 3.22Å; L561-L565 WeakPolarHBondContact O-CG 3.49Å; L561-L565 PolarHBondContact O-N 3.3Å
562	V	98.6	Very high	95.4	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-50.1	174.5	168.4	0	0	0	0	110.3	Y418 A421 D422 K425 F558 S559 L564 L565 E566	Y418-V562 HydrophobicContact CD2-CG1 4.32Å; Y418-V562 HydrophobicContact CE2-CG1 3.74Å; A421-V562 HydrophobicContact CB-CG2 3.79Å; D422-V562 HydrophobicContact CB-CG2 4.34Å; K425-V562 HydrophobicContact CB-CG2 4.28Å; K425-V562 HydrophobicContact CD-CG2 4.14Å; F558-V562 WeakPolarHBondContact O-CG2 3.23Å; F558-V562 PolarHBondContact O-N 2.92Å; S559-V562 PolarHBondContact O-N 3.43Å; V562-L564 PolarHBondContact O-N 3.4Å; V562-L565 PolarHBondContact O-N 3.45Å; V562-E566 WeakPolarHBondContact O-CB 3.48Å; V562-E566 PolarHBondContact O-N 3.08Å
563	N	97.6	Very high	94.7	Very high	75 Å²	75	54.3 Å²	54.3	40%	0.401	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-45.4	-179.9	-65.4	-8.9	0	0	0	111.8	S559 E560 L565 E566 L567	S559-N563 PolarHBondContact O-N 3.05Å; E560-N563 PolarHBondContact O-N 2.97Å; N563-L565 PolarHBondContact O-N 3.12Å; N563-E566 PolarHBondContact O-N 3.46Å; N563-L567 VanDerWaalsContact O-CG 3.29Å; N563-L567 WeakPolarHBondContact O-CG 3.2Å; N563-L567 PolarHBondContact O-N 2.66Å
564	L	97.1	Very high	93.5	Very high	56 Å²	56	48.1 Å²	48.1	29%	0.293	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-40.7	178.7	-71.8	177.8	0	0	0	112.5	I543 L556 E560 L561 V562 L567 Q568	I543-L564 HydrophobicContact CD1-CB 4.12Å; I543-L564 HydrophobicContact CG1-CD1 4.44Å; L556-L564 HydrophobicContact CD1-CD1 3.51Å; E560-L564 WeakPolarHBondContact O-CG 3.43Å; E560-L564 PolarHBondContact O-N 2.88Å; L561-L564 PolarHBondContact O-N 3.29Å; V562-L564 PolarHBondContact O-N 3.4Å; L564-L567 PolarHBondContact O-N 3.02Å; L564-Q568 WeakPolarHBondContact O-CG 3.41Å; L564-Q568 PolarHBondContact O-N 3.18Å; L564-Q568 VanDerWaalsContact O-N 3.09Å
565	L	97.4	Very high	91.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-39.6	178.5	-71.1	166	0	0	0	111.6	L414 Y418 A421 F497 I543 L561 V562 N563 Q568 I569	L414-L565 HydrophobicContact CD2-CD2 4.06Å; Y418-L565 HydrophobicContact CD2-CB 4.42Å; A421-L565 HydrophobicContact CB-CD1 3.82Å; F497-L565 HydrophobicContact CE1-CD1 4.3Å; F497-L565 HydrophobicContact CZ-CD1 3.84Å; I543-L565 HydrophobicContact CD1-CD2 4.28Å; L561-L565 WeakPolarHBondContact O-CB 3.48Å; L561-L565 WeakPolarHBondContact O-CD1 3.18Å; L561-L565 VanDerWaalsContact O-CG 3.22Å; L561-L565 WeakPolarHBondContact O-CG 3.49Å; L561-L565 PolarHBondContact O-N 3.3Å; V562-L565 PolarHBondContact O-N 3.45Å; N563-L565 PolarHBondContact O-N 3.12Å; L565-Q568 PolarHBondContact O-N 2.97Å; L565-I569 VanDerWaalsContact O-CG1 3.28Å; L565-I569 WeakPolarHBondContact O-CG1 3.4Å; L565-I569 PolarHBondContact O-N 3.25Å
566	E	95.4	Very high	88.9	Confident	83 Å²	83	52.6 Å²	52.6	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.6	-174.3	166.4	-158.6	0	0	111.9	Y418 V562 N563 Q568 I569 N570	Y418-E566 HydrophobicContact CD2-CB 4.3Å; Y418-E566 HydrophobicContact CE2-CB 4.05Å; V562-E566 WeakPolarHBondContact O-CB 3.48Å; V562-E566 PolarHBondContact O-N 3.08Å; N563-E566 PolarHBondContact O-N 3.46Å; E566-Q568 VanDerWaalsContact C-N 3.33Å; E566-Q568 PolarHBondContact O-N 3.31Å; E566-I569 WeakPolarHBondContact O-CB 3.39Å; E566-I569 PolarHBondContact O-N 3.5Å; E566-I569 VanDerWaalsContact O-N 3.16Å; E566-N570 PolarHBondContact O-N 2.6Å; E566-N570 PolarHBondContact O-ND2 3.28Å
567	L	94.7	Very high	86	Confident	74 Å²	74	60 Å²	60	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-57.9	-44.6	172.4	-73	170.9	0	0	0	111.7	N563 L564 I569 N570 V571 I607	N563-L567 VanDerWaalsContact O-CG 3.29Å; N563-L567 WeakPolarHBondContact O-CG 3.2Å; N563-L567 PolarHBondContact O-N 2.66Å; L564-L567 PolarHBondContact O-N 3.02Å; L567-I569 VanDerWaalsContact C-N 3.33Å; L567-I569 PolarHBondContact O-N 3.21Å; L567-N570 PolarHBondContact O-N 2.99Å; L567-V571 WeakPolarHBondContact O-CG2 3.43Å; L567-V571 PolarHBondContact O-N 3.47Å; L567-V571 VanDerWaalsContact O-N 3.08Å; L567-I607 HydrophobicContact CD2-CD1 4.05Å
568	Q	93.9	Very high	83	Confident	31 Å²	31	64.3 Å²	64.3	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-35.1	176.8	-66.3	-52.1	-72.8	0	0	112.7	L414 T539 I543 L564 L565 E566 H572	L414-Q568 HydrophobicContact CD1-CB 4Å; L414-Q568 HydrophobicContact CD2-CB 3.93Å; T539-Q568 VanDerWaalsContact CG2-CD 3.5Å; T539-Q568 HydrophobicContact CG2-CG 4.44Å; I543-Q568 HydrophobicContact CD1-CG 4.09Å; L564-Q568 WeakPolarHBondContact O-CG 3.41Å; L564-Q568 PolarHBondContact O-N 3.18Å; L564-Q568 VanDerWaalsContact O-N 3.09Å; L565-Q568 PolarHBondContact O-N 2.97Å; E566-Q568 VanDerWaalsContact C-N 3.33Å; E566-Q568 PolarHBondContact O-N 3.31Å; Q568-H572 PolarHBondContact O-CD2 3.27Å; Q568-H572 PolarHBondContact O-N 3.37Å; Q568-H572 VanDerWaalsContact O-N 3.11Å
569	I	93.4	Very high	79.8	Confident	30 Å²	30	69.7 Å²	69.7	15%	0.154	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-47	174.6	-73.1	167	0	0	0	110.2	L411 L414 Y418 L565 E566 L567 V571 H572 D573	L411-I569 HydrophobicContact CD1-CB 4.24Å; L411-I569 HydrophobicContact CD1-CG1 4.35Å; L411-I569 HydrophobicContact CD1-CG2 3.84Å; L414-I569 HydrophobicContact CB-CD1 4.46Å; L414-I569 HydrophobicContact CB-CG1 3.81Å; L414-I569 HydrophobicContact CD1-CG1 4.49Å; Y418-I569 HydrophobicContact CD2-CD1 4.29Å; Y418-I569 HydrophobicContact CG-CD1 4.02Å; L565-I569 VanDerWaalsContact O-CG1 3.28Å; L565-I569 WeakPolarHBondContact O-CG1 3.4Å; L565-I569 PolarHBondContact O-N 3.25Å; E566-I569 WeakPolarHBondContact O-CB 3.39Å; E566-I569 PolarHBondContact O-N 3.5Å; E566-I569 VanDerWaalsContact O-N 3.16Å; L567-I569 VanDerWaalsContact C-N 3.33Å; L567-I569 PolarHBondContact O-N 3.21Å; I569-V571 VanDerWaalsContact C-N 3.35Å; I569-V571 PolarHBondContact O-N 3.13Å; I569-H572 PolarHBondContact O-N 3.37Å; I569-H572 VanDerWaalsContact O-N 3.16Å; I569-D573 WeakPolarHBondContact O-CB 3.48Å; I569-D573 PolarHBondContact O-N 3.43Å
570	N	91.4	Very high	76.4	Confident	49 Å²	49	75.6 Å²	75.6	26%	0.262	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-37.5	-179.2	-70.3	-24.5	0	0	0	112.8	E566 L567 D573 G574 R575	E566-N570 PolarHBondContact O-N 2.6Å; E566-N570 PolarHBondContact O-ND2 3.28Å; L567-N570 PolarHBondContact O-N 2.99Å; N570-D573 PolarHBondContact O-N 3.22Å; N570-G574 PolarHBondContact O-N 3.37Å; N570-R575 PolarHBondContact O-N 3.44Å; N570-R575 VanDerWaalsContact O-N 3.1Å
571	V	87.7	Confident	73.1	Confident	83 Å²	83	78.1 Å²	78.1	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-64	-42.5	173.3	171.3	0	0	0	0	111	L567 I569 G574 T576	L567-V571 WeakPolarHBondContact O-CG2 3.43Å; L567-V571 PolarHBondContact O-N 3.47Å; L567-V571 VanDerWaalsContact O-N 3.08Å; I569-V571 VanDerWaalsContact C-N 3.35Å; I569-V571 PolarHBondContact O-N 3.13Å; V571-G574 PolarHBondContact O-N 3.34Å; V571-T576 HydrophobicContact CG2-CG2 4.4Å
572	H	81.4	Confident	69.6	Low	84 Å²	84	83.5 Å²	83.5	39%	0.389	46%	0.457	S	S	.	.	H	α-helix	trans	-73	-29	178.7	-92.1	-74.9	0	0	0	114.1	L411 L414 Q568 I569 G574	L411-H572 HydrophobicContact CB-CB 4.47Å; L411-H572 HydrophobicContact CD1-CB 3.86Å; L414-H572 VanDerWaalsContact CD1-CD2 3.41Å; L414-H572 WeakPolarHBondContact CD1-CD2 3.43Å; Q568-H572 PolarHBondContact O-CD2 3.27Å; Q568-H572 PolarHBondContact O-N 3.37Å; Q568-H572 VanDerWaalsContact O-N 3.11Å; I569-H572 PolarHBondContact O-N 3.37Å; I569-H572 VanDerWaalsContact O-N 3.16Å; H572-G574 VanDerWaalsContact C-N 3.28Å
573	D	79.7	Confident	66.2	Low	69 Å²	69	89.2 Å²	89.2	37%	0.369	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.9	176.9	-156.4	42.9	0	0	0	112.7	I569 N570 R575	I569-D573 WeakPolarHBondContact O-CB 3.48Å; I569-D573 PolarHBondContact O-N 3.43Å; N570-D573 PolarHBondContact O-N 3.22Å; D573-R575 VanDerWaalsContact C-N 3.3Å; D573-R575 HydrophobicContact CB-CG 4.3Å; D573-R575 PolarHBondContact O-N 3.34Å; D573-R575 IonicContact OD2-NE 2.68Å; D573-R575 PolarHBondContact OD2-NE 2.69Å; D573-R575 IonicContact OD2-NH2 3.75Å; D573-R575 PolarHBondContact OD2-NH2 3.41Å; D573-R575 IonicContact OD2-CZ 2.65Å
574	G	70.2	Confident	62.8	Low	57 Å²	57	89.5 Å²	89.5	59%	0.588	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	15	-179.4	0	0	0	0	0	114.7	N570 V571 H572 T576	N570-G574 PolarHBondContact O-N 3.37Å; V571-G574 PolarHBondContact O-N 3.34Å; H572-G574 VanDerWaalsContact C-N 3.28Å; G574-T576 VanDerWaalsContact C-N 3.32Å; G574-T576 PolarHBondContact O-N 3.19Å
575	R	55.3	Low	59.2	Low	158 Å²	158	93.3 Å²	93.3	60%	0.596	54%	0.544	S	S	*	.			trans	-80.7	-6.3	-177.3	-68.6	-172.1	-169.2	177	7.9	114.8	N570 D573 E577	N570-R575 PolarHBondContact O-N 3.44Å; N570-R575 VanDerWaalsContact O-N 3.1Å; D573-R575 VanDerWaalsContact C-N 3.3Å; D573-R575 HydrophobicContact CB-CG 4.3Å; D573-R575 PolarHBondContact O-N 3.34Å; D573-R575 IonicContact OD2-NE 2.68Å; D573-R575 PolarHBondContact OD2-NE 2.69Å; D573-R575 IonicContact OD2-NH2 3.75Å; D573-R575 PolarHBondContact OD2-NH2 3.41Å; D573-R575 IonicContact OD2-CZ 2.65Å; R575-E577 PolarHBondContact O-N 3.15Å
576	T	44.7	Very low	55.8	Low	87 Å²	87	98.1 Å²	98.1	53%	0.534	58%	0.578	S	S	.	*			trans	-77	81.7	167.1	45.8	0	0	0	0	108.5	V571 G574 T578	V571-T576 HydrophobicContact CG2-CG2 4.4Å; G574-T576 VanDerWaalsContact C-N 3.32Å; G574-T576 PolarHBondContact O-N 3.19Å; T576-T578 PolarHBondContact O-N 3.27Å
577	E	36.2	Very low	52.2	Low	183 Å²	183	99.3 Å²	99.3	86%	0.855	59%	0.591	S	S	*	*			trans	-55.6	109.2	156.2	-73.8	-178.7	-177.8	0	0	106.2	R575 S579	R575-E577 PolarHBondContact O-N 3.15Å; E577-S579 PolarHBondContact O-N 2.83Å
578	T	35.1	Very low	48.9	Very low	112 Å²	112	106.3 Å²	106.3	69%	0.687	61%	0.614	S	S	*	*			trans	-54.7	110.8	162.5	43.2	0	0	0	0	106.1	T576 E580	T576-T578 PolarHBondContact O-N 3.27Å; T578-E580 PolarHBondContact O-N 3.15Å
579	S	30.1	Very low	45.5	Very low	114 Å²	114	115.1 Å²	115.1	80%	0.797	65%	0.647	S	S	*	*			trans	-56.6	88.8	159	-63.6	0	0	0	0	107.1	E577 T581	E577-S579 PolarHBondContact O-N 2.83Å; S579-T581 PolarHBondContact O-N 2.92Å
580	E	26.6	Very low	42.3	Very low	168 Å²	168	117.2 Å²	117.2	79%	0.785	68%	0.676	S	S	*	*			trans	-67.7	75.6	165.1	-71.8	-174.6	165.8	0	0	107.5	T578 T582	T578-E580 PolarHBondContact O-N 3.15Å; E580-T582 VanDerWaalsContact C-N 3.26Å; E580-T582 PolarHBondContact O-N 3.32Å
581	T	29.9	Very low	39.1	Very low	124 Å²	124	121.9 Å²	121.9	76%	0.761	70%	0.701	S	S	*	*			trans	-90.6	79.3	157.3	-40.8	0	0	0	0	107.2	S579	S579-T581 PolarHBondContact O-N 2.92Å
582	T	26.1	Very low	36.2	Very low	112 Å²	112	124.8 Å²	124.8	69%	0.687	71%	0.714	S	S	*	*			trans	12.6	111.8	148.8	52.1	0	0	0	0	117.8	E580	E580-T582 VanDerWaalsContact C-N 3.26Å; E580-T582 PolarHBondContact O-N 3.32Å
583	S	25.2	Very low	33.5	Very low	124 Å²	124	127.2 Å²	127.2	87%	0.867	73%	0.73	S	S	*	*				49.9	94.2	126.3	-49.3	0	0	0	0	118.5
584	G	27.2	Very low	30.9	Very low	82 Å²	82	130.2 Å²	130.2	85%	0.845	75%	0.746	S	S	*	*			trans	-135.3	88.6	159	0	0	0	0	0	110.4	S586	G584-S586 PolarHBondContact O-N 3.08Å
585	T	22.1	Very low	28.8	Very low	136 Å²	136	134.1 Å²	134.1	83%	0.834	75%	0.753	S	S	*	*			trans	-51.9	126.4	173.1	-54.9	0	0	0	0	112.3
586	S	25.2	Very low	27.4	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	76%	0.763	S	S	*	*			trans	-159.2	110	143.6	-168.2	0	0	0	0	111	G584	G584-S586 PolarHBondContact O-N 3.08Å
587	T	20.5	Very low	26.4	Very low	107 Å²	107	137.6 Å²	137.6	66%	0.656	78%	0.781	S	S	*	*			trans	-66.2	124.9	167.8	39.3	0	0	0	0	111.4
588	Y	25.2	Very low	25.9	Very low	222 Å²	222	138.6 Å²	138.6	87%	0.871	78%	0.778	S	S	*	*			trans	-134.9	117.6	150.9	-95.1	-85.4	0	0	0	109.4
589	Y	22.5	Very low	25.5	Very low	215 Å²	215	138.9 Å²	138.9	84%	0.843	78%	0.783	S	S	*	*			trans	-71.2	150.9	166.2	-78	-96.1	0	0	0	110.3
590	G	25	Very low	25.2	Very low	74 Å²	74	141 Å²	141	76%	0.763	79%	0.786	S	S	*	*			trans	174	103.3	169.8	0	0	0	0	0	111.6
591	D	24.3	Very low	25.2	Very low	148 Å²	148	138 Å²	138	79%	0.791	78%	0.783	S	S	*	*			trans	-65.3	173.7	-178.9	-64.6	-59.6	0	0	0	115.1
592	D	26.7	Very low	25.1	Very low	144 Å²	144	138.3 Å²	138.3	77%	0.77	78%	0.78	S	S	*	*			trans	97.6	105.5	153.8	-61.2	-22.8	0	0	0	120.3
593	D	26.1	Very low	25.2	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	79%	0.79	S	S	*	*				79.1	120.2	127.1	-80.2	-16.1	0	0	0	123
594	N	25.4	Very low	25.1	Very low	131 Å²	131	141.8 Å²	141.8	70%	0.701	78%	0.783	S	S	*	*			trans	73.1	107.9	139.7	-76.6	-44.8	0	0	0	120.4
595	N	24.3	Very low	25	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	78%	0.777	S	S	*	*				38.3	94.7	127.7	-87.9	-21.6	0	0	0	116.6
596	N	26	Very low	25.1	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	78%	0.777	S	S	*	*			trans	-156.6	104.4	133.2	-94.7	-38.1	0	0	0	110.2	Y598	N596-Y598 VanDerWaalsContact C-N 3.29Å; N596-Y598 PolarHBondContact O-N 3.3Å
597	N	24.4	Very low	25.2	Very low	167 Å²	167	146.5 Å²	146.5	89%	0.893	78%	0.779	S	S	*	*			trans	-65.7	89.7	162.6	-82.1	-33.4	0	0	0	108.6
598	Y	25.2	Very low	25.4	Very low	203 Å²	203	149 Å²	149	80%	0.796	79%	0.788	S	S	*	*			trans	-117.9	134.7	160.3	-110	-88.9	0	0	0	109.3	N596 N600	N596-Y598 VanDerWaalsContact C-N 3.29Å; N596-Y598 PolarHBondContact O-N 3.3Å; Y598-N600 PolarHBondContact O-N 2.96Å
599	C	26.7	Very low	25.3	Very low	118 Å²	118	145.4 Å²	145.4	80%	0.797	78%	0.784	S	S	*	*			trans	-20.7	111.2	174.8	-70.9	0	0	0	0	115.9	S601	C599-S601 PolarHBondContact O-N 3.22Å
600	N	24.7	Very low	25.6	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	78%	0.781	S	S	*	*			trans	-73.6	111.1	157.4	-93.6	-31.9	0	0	0	108.9	Y598	Y598-N600 PolarHBondContact O-N 2.96Å
601	S	27.4	Very low	25.7	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	78%	0.782	S	S	*	*			trans	-98.7	23.8	178.9	-179.2	0	0	0	0	112.4	C599	C599-S601 PolarHBondContact O-N 3.22Å
602	D	26.8	Very low	25.7	Very low	132 Å²	132	149.5 Å²	149.5	71%	0.706	79%	0.787	S	S	*	*			trans	-119	39	-165.1	-67.8	-22	0	0	0	115.1
603	L	27.3	Very low	25.6	Very low	172 Å²	172	152.1 Å²	152.1	90%	0.901	79%	0.792	S	S	*	*	S	Bend	trans	-114.3	14.8	173.1	-75.6	175.1	0	0	0	115.1
604	L	24.1	Very low	25.5	Very low	137 Å²	137	155.1 Å²	155.1	72%	0.717	80%	0.802	S	S	*	*			trans	-111.7	16.9	-178.5	-80.7	172.4	0	0	0	116.1
605	T	24.3	Very low	25.7	Very low	118 Å²	118	155.8 Å²	155.8	72%	0.724	80%	0.804	S	S	*	*	S	Bend	trans	-111.2	112.2	171	54.3	0	0	0	0	110.8
606	N	24.6	Very low	25.6	Very low	154 Å²	154	156.8 Å²	156.8	82%	0.824	81%	0.809	S	S	*	*			trans	110.6	79.5	167.8	-63.5	-31.2	0	0	0	115.5
607	I	26.8	Very low	25.8	Very low	145 Å²	145	158.1 Å²	158.1	74%	0.744	81%	0.813	S	S	*	*			trans	-139.1	107.8	143.5	-58.6	-176.9	0	0	0	107.6	L567	L567-I607 HydrophobicContact CD2-CD1 4.05Å
608	N	25.4	Very low	25.7	Very low	159 Å²	159	153.7 Å²	153.7	85%	0.85	81%	0.807	S	S	*	*			trans	-78	141.9	167.6	-91	-23.8	0	0	0	109.7
609	D	24	Very low	25.8	Very low	147 Å²	147	152 Å²	152	79%	0.786	81%	0.81	S	S	*	*			trans	-48.1	135.4	169.5	-66.1	-53.7	0	0	0	112.5
610	N	28.1	Very low	25.6	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	81%	0.808	S	S	*	*			trans	-175.5	124.4	133.6	-91.1	-40.6	0	0	0	114
611	N	26.7	Very low	25.5	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	80%	0.8	S	S	*	*			trans	67.5	105.6	145	-65.5	-31.9	0	0	0	122.2
612	Y	24.4	Very low	25.3	Very low	230 Å²	230	150 Å²	150	90%	0.902	80%	0.804	S	S	*	*			trans	-72.2	136.3	168.8	-67.4	-97.8	0	0	0	113.6
613	K	24.5	Very low	25.1	Very low	200 Å²	200	150.1 Å²	150.1	87%	0.87	80%	0.804	S	S	*	*			trans	-141.4	123.9	144.3	-75.6	-166.5	177.4	177.1	0	110.2
614	E	24.9	Very low	24.9	Very low	198 Å²	198	149.6 Å²	149.6	93%	0.925	80%	0.801	S	S	*	*			trans	-57	133.3	170	-86.4	175.2	136.1	0	0	110.5
615	L	28.7	Very low	24.7	Very low	144 Å²	144	151 Å²	151	75%	0.754	81%	0.805	S	S	*	*			trans	-111.3	121.8	176.4	-87.4	160.1	0	0	0	110.4
616	D	23.2	Very low	24.6	Very low	161 Å²	161	155.8 Å²	155.8	86%	0.861	81%	0.811	S	S	*	*			trans	-81	121.9	170.5	-143.5	-5.2	0	0	0	108.5	G618	D616-G618 PolarHBondContact O-N 2.93Å
617	M	29.4	Very low	24.5	Very low	180 Å²	180	154.9 Å²	154.9	89%	0.887	81%	0.806	S	S	*	*			trans	-79.6	81.9	-173.8	-75	-175.1	-76.9	0	0	111.3
618	G	23.6	Very low	24.2	Very low	73 Å²	73	152.3 Å²	152.3	75%	0.753	80%	0.801	S	S	*	*			trans	-82.9	111.9	163	0	0	0	0	0	110.9	D616 S620	D616-G618 PolarHBondContact O-N 2.93Å; G618-S620 PolarHBondContact O-N 3.38Å
619	I	25.7	Very low	24.1	Very low	168 Å²	168	154.6 Å²	154.6	86%	0.862	80%	0.804	S	S	*	*			trans	-75.6	106.7	178.5	-61.2	170.1	0	0	0	108.7
620	S	23.2	Very low	23.9	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	80%	0.796	S	S	*	*			trans	-94.3	120.9	164.1	-173.9	0	0	0	0	109.2	G618	G618-S620 PolarHBondContact O-N 3.38Å
621	S	22.8	Very low	23.7	Very low	99 Å²	99	154.7 Å²	154.7	69%	0.692	80%	0.803	S	S	*	*			trans	-72.5	121.9	176	51.5	0	0	0	0	111.2
622	T	23.9	Very low	23.5	Very low	131 Å²	131	155.1 Å²	155.1	80%	0.804	80%	0.798	S	S	*	*			trans	-135.4	104.2	154.8	-2.1	0	0	0	0	108.7
623	I	20.9	Very low	23.4	Very low	135 Å²	135	150.1 Å²	150.1	69%	0.692	79%	0.787	S	S	*	*			trans	-68.5	126.2	170.6	-66.4	162.1	0	0	0	107.1	E625	I623-E625 HydrophobicContact CG2-CG 4.21Å
624	N	23.1	Very low	23.3	Very low	160 Å²	160	147.1 Å²	147.1	86%	0.856	78%	0.781	S	S	*	*			trans	-127.9	102.3	155.1	-85.8	-25.5	0	0	0	107.4
625	E	20	Very low	23.3	Very low	168 Å²	168	145.3 Å²	145.3	79%	0.785	78%	0.777	S	S	*	*			trans	-67	130.2	159.8	-73.3	171.2	142.3	0	0	108.7	I623	I623-E625 HydrophobicContact CG2-CG 4.21Å
626	Y	23.5	Very low	23	Very low	218 Å²	218	146.9 Å²	146.9	86%	0.855	78%	0.781	S	S	*	*			trans	-154.5	109.9	144.5	-100.8	-74.3	0	0	0	109.6
627	D	22.7	Very low	23	Very low	134 Å²	134	147.8 Å²	147.8	72%	0.717	78%	0.78	S	S	*	*			trans	41.5	108	141	-64.9	-33	0	0	0	122
628	S	20.2	Very low	22.6	Very low	91 Å²	91	144.1 Å²	144.1	64%	0.636	77%	0.772	S	S	*	*				26.6	113	112.3	170.7	0	0	0	0	118.1
629	F	22.3	Very low	22.7	Very low	208 Å²	208	148.5 Å²	148.5	91%	0.912	78%	0.778	S	S	*	*			trans	-139.2	119.8	138.6	-101.4	-85.3	0	0	0	111.1
630	N	20.8	Very low	22.5	Very low	118 Å²	118	148.1 Å²	148.1	63%	0.631	77%	0.773	S	S	*	*			trans	-64.2	144.7	163.7	-76	-57.4	0	0	0	110.3
631	L	24	Very low	22.5	Very low	178 Å²	178	153.6 Å²	153.6	93%	0.932	78%	0.778	S	S	*	*			trans	-145.3	117.9	137.4	-109.4	134.7	0	0	0	110
632	F	20.8	Very low	22.4	Very low	154 Å²	154	154.1 Å²	154.1	68%	0.675	77%	0.772	S	S	*	*			trans	-69.9	154.6	173.7	-92.2	-97.6	0	0	0	111.6
633	N	22.2	Very low	22.5	Very low	125 Å²	125	156.6 Å²	156.6	67%	0.668	77%	0.774	S	S	*	*			trans	74.9	146.7	134.8	-72.7	-12.8	0	0	0	121.8
634	D	23	Very low	22.7	Very low	137 Å²	137	158.1 Å²	158.1	73%	0.733	78%	0.778	S	S	*	*			trans	80.7	120.3	161	-53.3	-26.5	0	0	0	113.7
635	D	26.4	Very low	23.2	Very low	160 Å²	160	155 Å²	155	86%	0.856	77%	0.766	S	S	*	*			cis	-143.3	148.8	39.8	-84.1	-54	0	0	0	115.8
636	Q	21.3	Very low	23.3	Very low	178 Å²	178	153.9 Å²	153.9	83%	0.832	77%	0.765	S	S	*	*			trans	-66.8	145.3	159.3	-67.6	-174	-11.5	0	0	112.2
637	Q	23.6	Very low	23.4	Very low	179 Å²	179	151.2 Å²	151.2	84%	0.836	76%	0.764	S	S	*	*			trans	165.4	100.6	131.5	-93.1	169.2	8.2	0	0	107.4
638	S	21.1	Very low	23.3	Very low	104 Å²	104	149.5 Å²	149.5	73%	0.727	76%	0.763	S	S	*	*				51.1	91.4	82.3	74.6	0	0	0	0	113.9
639	D	25	Very low	23.4	Very low	165 Å²	165	151.1 Å²	151.1	88%	0.882	77%	0.769	S	S	*	*			trans	-134.3	101.5	143.9	-94.8	-31.5	0	0	0	108.6
640	E	20.7	Very low	23.4	Very low	159 Å²	159	144.8 Å²	144.8	74%	0.743	76%	0.755	S	S	*	*			trans	-94.3	111.9	174.8	-175.8	175.3	-154.2	0	0	106.7	I642	E640-I642 HydrophobicContact CG-CD1 4Å; E640-I642 HydrophobicContact CG-CG1 4.07Å; E640-I642 WeakPolarHBondContact OE1-CD1 3.46Å
641	Y	23.9	Very low	23.6	Very low	225 Å²	225	149.2 Å²	149.2	88%	0.882	77%	0.769	S	S	*	*			trans	-116.8	102.5	161.9	-105.6	-87.8	0	0	0	109.1
642	I	20	Very low	23.5	Very low	109 Å²	109	146.4 Å²	146.4	56%	0.559	76%	0.759	S	S	*	*			trans	-97.3	125.9	169.1	-68.5	172	0	0	0	108.1	E640	E640-I642 HydrophobicContact CG-CD1 4Å; E640-I642 HydrophobicContact CG-CG1 4.07Å; E640-I642 WeakPolarHBondContact OE1-CD1 3.46Å
643	H	26.2	Very low	23.6	Very low	183 Å²	183	144.9 Å²	144.9	85%	0.847	76%	0.763	S	S	*	*			trans	-166.9	96.2	147.5	-102.4	-72.9	0	0	0	106.1
644	H	25.2	Very low	23.8	Very low	168 Å²	168	146 Å²	146	78%	0.778	77%	0.769	S	S	*	*				63.2	155.9	83.3	-114.8	-26.2	0	0	0	115.4
645	P	34.2	Very low	23.9	Very low	93 Å²	93	148.4 Å²	148.4	60%	0.604	77%	0.773	S	S	*	*				-121.4	-162.4	-126.9	39.2	-17.2	0	0	0	111.7
646	I	22.3	Very low	23.9	Very low	146 Å²	146	146.5 Å²	146.5	75%	0.749	77%	0.767	S	S	*	*			trans	119.6	100.6	160.1	-60.2	156.1	0	0	0	110.9
647	L	25.8	Very low	24.3	Very low	161 Å²	161	146.4 Å²	146.4	84%	0.843	77%	0.771	S	S	*	*				-175.5	82.5	119	-92.5	168.4	0	0	0	109.2
648	S	19.8	Very low	24.5	Very low	99 Å²	99	145.6 Å²	145.6	69%	0.692	77%	0.767	S	S	*	*			trans	-67.7	134.6	137.1	151.2	0	0	0	0	106.6
649	T	23.2	Very low	25	Very low	124 Å²	124	144.3 Å²	144.3	76%	0.761	77%	0.77	S	S	*	*				170	132.3	106.3	-36.6	0	0	0	0	110.2
650	A	22.1	Very low	25.4	Very low	75 Å²	75	141.2 Å²	141.2	62%	0.62	76%	0.762	S	S	*	*			trans	47.3	121.6	146.6	0	0	0	0	0	121.2
651	F	25.5	Very low	26.1	Very low	211 Å²	211	140.7 Å²	140.7	93%	0.925	76%	0.763	S	S	*	*				-154.3	110.1	113.5	-99.3	-74	0	0	0	110.1
652	T	20.4	Very low	26.5	Very low	119 Å²	119	138 Å²	138	73%	0.73	76%	0.756	S	S	*	*			trans	-80.8	151.2	156.6	35.5	0	0	0	0	109.3
653	T	23.2	Very low	27.2	Very low	122 Å²	122	136.1 Å²	136.1	75%	0.748	76%	0.757	S	S	*	*			trans	131.5	140.5	144.7	60.1	0	0	0	0	117
654	N	26.7	Very low	27.5	Very low	148 Å²	148	131.6 Å²	131.6	79%	0.791	75%	0.746	S	S	*	*			trans	84.9	87.7	165.7	-62	-21.9	0	0	0	118
655	K	25.2	Very low	27.9	Very low	189 Å²	189	128.2 Å²	128.2	82%	0.822	74%	0.737	S	S	*	*				52.7	108.8	77.4	-84.2	-170	176.2	-179.8	0	115.5
656	T	26.7	Very low	27.7	Very low	119 Å²	119	133 Å²	133	73%	0.73	75%	0.745	S	S	*	*			trans	65.5	84.6	137	53.3	0	0	0	0	119.1
657	L	29	Very low	28.3	Very low	177 Å²	177	130.8 Å²	130.8	93%	0.927	74%	0.741	S	S	*	*			trans	-89.9	90.7	145.2	-119.3	100.9	0	0	0	107.7
658	H	28.2	Very low	28.7	Very low	162 Å²	162	130.7 Å²	130.7	75%	0.75	74%	0.736	S	S	*	*			trans	-136.4	23.3	177.1	-119.8	-68.7	0	0	0	113.7
659	G	32.1	Very low	29.4	Very low	77 Å²	77	134.3 Å²	134.3	79%	0.794	74%	0.744	S	S	*	*	S	Bend	trans	-101.5	-11.5	-168.9	0	0	0	0	0	118.2
660	S	34.1	Very low	29.9	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	75%	0.747	S	S	*	*	S	Bend	trans	-120	-9.9	-167.6	67.8	0	0	0	0	117.5
661	L	34.8	Very low	30.6	Very low	147 Å²	147	140.7 Å²	140.7	77%	0.77	77%	0.774	S	S	*	*	S	Bend	trans	-93.9	-23.2	179.3	-128.5	84.6	0	0	0	114.1	A663	L661-A663 VanDerWaalsContact C-N 3.29Å; L661-A663 PolarHBondContact O-N 3.33Å
662	F	31.1	Very low	30.9	Very low	168 Å²	168	137.2 Å²	137.2	74%	0.737	77%	0.766	S	S	*	*	H	α-helix	trans	-75.8	-15.1	179.4	-105	-87.3	0	0	0	113.9
663	A	35.2	Very low	31.4	Very low	71 Å²	71	138.2 Å²	138.2	59%	0.587	77%	0.768	S	S	*	*	H	α-helix	trans	-82.2	-20.3	179.8	0	0	0	0	0	113.7	L661	L661-A663 VanDerWaalsContact C-N 3.29Å; L661-A663 PolarHBondContact O-N 3.33Å
664	S	32.8	Very low	31.9	Very low	88 Å²	88	139.1 Å²	139.1	62%	0.615	77%	0.769	S	S	*	*	H	α-helix	trans	-85.2	-31.1	-179.6	140.9	0	0	0	0	112.9
665	V	33.1	Very low	32.2	Very low	96 Å²	96	138.5 Å²	138.5	58%	0.582	77%	0.768	S	S	*	*	H	α-helix	trans	-79.5	-26.8	-178.5	-177.8	0	0	0	0	112	C667	V665-C667 VanDerWaalsContact C-N 3.28Å; V665-C667 PolarHBondContact O-N 3.3Å
666	Y	29.6	Very low	32.6	Very low	195 Å²	195	135.4 Å²	135.4	77%	0.765	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-20.1	178.3	-162.1	-98.7	0	0	0	113.4
667	C	34.9	Very low	33	Very low	99 Å²	99	136.5 Å²	136.5	67%	0.669	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-15.3	179.8	-80.5	0	0	0	0	114.6	V665	V665-C667 VanDerWaalsContact C-N 3.28Å; V665-C667 PolarHBondContact O-N 3.3Å
668	E	35	Very low	33.3	Very low	159 Å²	159	133.6 Å²	133.6	74%	0.743	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-21.8	176.3	-84.5	-175	161.8	0	0	113.9	K670	E668-K670 PolarHBondContact O-N 3.33Å
669	M	34	Very low	33.7	Very low	174 Å²	174	131.4 Å²	131.4	86%	0.857	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	2.2	179.1	-69.2	-166.6	81.1	0	0	114.6
670	K	33.3	Very low	33.8	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-3.3	177.4	-140.8	-175.1	-177.2	-176	0	114	E668	E668-K670 PolarHBondContact O-N 3.33Å
671	A	37.8	Very low	33.8	Very low	142 Å²	142	139.2 Å²	139.2	100%	1.174	76%	0.758	S	S	*	*			trans	-96.1	0	164.7	0	0	0	0	0	108.2

Retrieved 671 of 671 residues in 1135 ms (Link to these results)

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